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 1yo8_1_A DATA FIRST_RESID 551 DATA SEQUENCE DGcLSNPcFP GAQcSSFPDG SWScGFcPVG FLGNGTHcED LDEcALVPDI DATA SEQUENCE cFSTSKVPRc VNTQPGFHcL PcPPRYRGNQ PVGVGLEAAK TEKQVcEPEN DATA SEQUENCE PcKDKTHNcH KHAEcIYLGH FSDPXYKcEc QTGYAGDGLI cGEDSDLDGW DATA SEQUENCE PNLNLVcATN ATYHcIKDNc PHLPNSGQED FDKDGIGDAc DDDDDNDGVT DATA SEQUENCE DEKDNcQLLF NPRQADYDKD EVGDRcDNcP YVHNPAQIDT DNNGEGDAcS DATA SEQUENCE VDIDGDDVFN ERDNcPYVYN TDQRDTDGDG VGDHcDNcPL VHNPDQTDVD DATA SEQUENCE NDLVGDQcDN NEDIDDDGHQ NNQDNcPYIS NANQADHDRD GQGDAcDPDD DATA SEQUENCE DNDGVPDDRD NcRLVFNPDQ EDLDGDGRGD IcKDDFDNDN IPDIDDVcPE DATA SEQUENCE NNAISETDFR NFQXVPLDPK GTTQIDPNWV IRHQGKELVQ TANSDPGIAV DATA SEQUENCE GFDEFGSVDF SGTFYVNTDR DDDYAGFVFG YQSSSRFYVV XWKQVTQTYW DATA SEQUENCE EDQPTRAYGY SGVSLKVVNS TTGTGEHLRN ALWHTGNTPG QVRTLWHDPR DATA SEQUENCE NIGWKDYTAY RWHLTHRPKT GYIRVLVHEG KQVXADSGPI YDQTYAGGRL DATA SEQUENCE GLFVFSQEXV YFSDLKYEcR D 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 551 D HA 0.000 nan 4.640 nan 0.000 0.175 551 D C 0.000 176.307 176.300 0.011 0.000 2.045 551 D CA 0.000 54.007 54.000 0.012 0.000 0.868 551 D CB 0.000 40.820 40.800 0.034 0.000 0.688 552 G N 0.330 109.159 108.800 0.048 0.000 2.450 552 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.220 552 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.220 552 G C 1.402 176.259 174.900 -0.072 0.000 1.130 552 G CA 1.342 46.498 45.100 0.093 0.000 0.760 552 G HN 0.455 nan 8.290 nan 0.000 0.557 553 c N 0.167 118.704 118.600 -0.105 0.000 2.472 553 c HA 0.193 4.760 4.570 -0.005 0.000 0.278 553 c C 2.736 176.724 174.090 -0.170 0.000 1.447 553 c CA -0.057 56.156 56.329 -0.195 0.000 1.773 553 c CB -1.073 41.354 42.510 -0.137 0.000 1.793 553 c HN 0.437 nan 8.230 nan 0.000 0.544 554 L N 1.378 122.534 121.223 -0.112 0.000 2.191 554 L HA -0.125 4.212 4.340 -0.005 0.000 0.212 554 L C 2.558 179.364 176.870 -0.107 0.000 1.103 554 L CA 1.822 56.608 54.840 -0.090 0.000 0.769 554 L CB -0.246 41.781 42.059 -0.054 0.000 0.908 554 L HN 0.469 nan 8.230 nan 0.000 0.438 555 S N -1.578 114.040 115.700 -0.137 0.000 2.593 555 S HA -0.004 4.463 4.470 -0.005 0.000 0.217 555 S C 0.558 175.048 174.600 -0.183 0.000 0.966 555 S CA -0.117 58.002 58.200 -0.135 0.000 0.914 555 S CB -0.473 62.662 63.200 -0.107 0.000 0.776 555 S HN 0.524 nan 8.310 nan 0.000 0.523 556 N N 2.050 120.614 118.700 -0.228 0.000 2.642 556 N HA -0.089 4.648 4.740 -0.005 0.000 0.269 556 N C -2.129 173.202 175.510 -0.299 0.000 1.073 556 N CA 0.981 53.883 53.050 -0.247 0.000 0.748 556 N CB -1.201 37.178 38.487 -0.180 0.000 0.894 556 N HN 0.460 nan 8.380 nan 0.000 0.548 557 P HA 0.150 nan 4.420 nan 0.000 0.240 557 P C 0.538 177.569 177.300 -0.449 0.000 1.190 557 P CA 0.347 63.105 63.100 -0.570 0.000 0.781 557 P CB 0.378 31.340 31.700 -1.230 0.000 0.931 558 c N -0.676 117.697 118.600 -0.377 0.000 5.139 558 c HA 0.454 5.021 4.570 -0.005 0.000 0.161 558 c C 0.691 174.808 174.090 0.044 0.000 2.386 558 c CA 0.201 56.459 56.329 -0.119 0.000 1.704 558 c CB -1.021 41.440 42.510 -0.082 0.000 2.111 558 c HN 0.192 nan 8.230 nan 0.000 0.227 559 F N 0.476 120.342 119.950 -0.139 0.000 2.654 559 F HA 0.434 4.958 4.527 -0.005 0.000 0.314 559 F C -2.641 173.062 175.800 -0.162 0.000 1.116 559 F CA -1.673 56.239 58.000 -0.147 0.000 1.017 559 F CB 0.763 39.679 39.000 -0.140 0.000 1.285 559 F HN 0.237 nan 8.300 nan 0.000 0.448 560 P HA 0.160 nan 4.420 nan 0.000 0.257 560 P C 0.597 177.740 177.300 -0.262 0.000 1.153 560 P CA 2.281 65.070 63.100 -0.518 0.000 0.762 560 P CB 0.191 31.461 31.700 -0.716 0.000 0.743 561 G N 2.664 111.388 108.800 -0.127 0.000 2.383 561 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.229 561 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.229 561 G C 0.451 175.358 174.900 0.011 0.000 1.089 561 G CA 0.051 45.122 45.100 -0.048 0.000 0.640 561 G HN 0.878 nan 8.290 nan 0.000 0.510 562 A N 0.690 123.559 122.820 0.081 0.000 2.492 562 A HA 0.578 4.895 4.320 -0.005 0.000 0.254 562 A C 0.586 178.223 177.584 0.089 0.000 1.091 562 A CA 1.225 53.340 52.037 0.130 0.000 0.768 562 A CB 0.415 19.521 19.000 0.176 0.000 1.028 562 A HN 1.252 nan 8.150 nan 0.000 0.498 563 Q N 2.150 122.032 119.800 0.137 0.000 2.286 563 Q HA 0.278 4.615 4.340 -0.005 0.000 0.267 563 Q C -0.436 175.620 176.000 0.093 0.000 1.028 563 Q CA 0.037 55.904 55.803 0.106 0.000 0.901 563 Q CB 0.643 29.480 28.738 0.165 0.000 1.183 563 Q HN 0.750 nan 8.270 nan 0.000 0.392 564 c N 4.387 122.998 118.600 0.018 0.000 2.285 564 c HA 0.618 5.185 4.570 -0.005 0.000 0.335 564 c C -0.151 173.921 174.090 -0.030 0.000 1.267 564 c CA -0.394 55.926 56.329 -0.015 0.000 1.762 564 c CB -0.131 42.308 42.510 -0.117 0.000 2.365 564 c HN 0.872 nan 8.230 nan 0.000 0.527 565 S N 3.759 119.437 115.700 -0.037 0.000 2.438 565 S HA 0.527 4.994 4.470 -0.005 0.000 0.293 565 S C -0.030 174.292 174.600 -0.464 0.000 1.141 565 S CA -0.221 57.881 58.200 -0.163 0.000 1.080 565 S CB 0.844 64.000 63.200 -0.075 0.000 0.978 565 S HN 1.017 nan 8.310 nan 0.000 0.479 566 S N 4.493 119.959 115.700 -0.390 0.000 2.489 566 S HA 0.732 5.199 4.470 -0.005 0.000 0.291 566 S C -0.635 173.729 174.600 -0.394 0.000 1.151 566 S CA -0.646 57.318 58.200 -0.392 0.000 1.082 566 S CB 0.311 63.439 63.200 -0.120 0.000 1.019 566 S HN 0.481 nan 8.310 nan 0.000 0.492 567 F N 1.844 121.855 119.950 0.101 0.000 2.497 567 F HA 0.470 4.994 4.527 -0.005 0.000 0.331 567 F C -1.402 174.429 175.800 0.051 0.000 1.060 567 F CA -2.643 55.394 58.000 0.061 0.000 0.989 567 F CB 1.140 40.164 39.000 0.040 0.000 1.245 567 F HN 0.372 nan 8.300 nan 0.000 0.486 568 P HA -0.174 nan 4.420 nan 0.000 0.218 568 P C 0.706 178.075 177.300 0.114 0.000 1.148 568 P CA 1.380 64.561 63.100 0.134 0.000 0.822 568 P CB -0.031 31.729 31.700 0.100 0.000 0.784 569 D N -1.712 118.767 120.400 0.132 0.000 2.336 569 D HA 0.047 4.684 4.640 -0.005 0.000 0.229 569 D C 1.421 177.782 176.300 0.102 0.000 1.061 569 D CA 0.708 54.764 54.000 0.095 0.000 0.875 569 D CB -0.601 40.240 40.800 0.068 0.000 0.904 569 D HN 0.257 nan 8.370 nan 0.000 0.525 570 G N 0.399 109.277 108.800 0.130 0.000 2.258 570 G HA2 -0.316 3.641 3.960 -0.005 0.000 0.233 570 G HA3 -0.316 3.641 3.960 -0.005 0.000 0.233 570 G C 0.564 175.571 174.900 0.179 0.000 1.006 570 G CA 0.452 45.631 45.100 0.132 0.000 0.620 570 G HN 0.795 nan 8.290 nan 0.000 0.511 571 S N 0.545 116.342 115.700 0.161 0.000 2.617 571 S HA 0.682 5.149 4.470 -0.005 0.000 0.255 571 S C 0.356 175.033 174.600 0.128 0.000 1.318 571 S CA 0.698 58.944 58.200 0.076 0.000 0.978 571 S CB 0.756 64.010 63.200 0.090 0.000 0.961 571 S HN 1.680 nan 8.310 nan 0.000 0.582 572 W N -2.564 118.770 121.300 0.057 0.000 3.005 572 W HA 0.707 5.364 4.660 -0.005 0.000 0.343 572 W C -1.472 175.033 176.519 -0.023 0.000 1.243 572 W CA -0.900 56.308 57.345 -0.229 0.000 1.186 572 W CB 0.863 30.218 29.460 -0.175 0.000 1.453 572 W HN 0.657 nan 8.180 nan 0.000 0.575 573 S N 0.176 116.045 115.700 0.282 0.000 2.556 573 S HA 0.585 5.052 4.470 -0.005 0.000 0.271 573 S C -1.348 173.455 174.600 0.340 0.000 1.135 573 S CA -0.321 58.091 58.200 0.352 0.000 0.858 573 S CB 1.679 65.071 63.200 0.320 0.000 1.114 573 S HN 0.491 nan 8.310 nan 0.000 0.468 574 c N 2.779 121.571 118.600 0.320 0.000 2.264 574 c HA 0.696 5.263 4.570 -0.005 0.000 0.324 574 c C 1.593 175.772 174.090 0.148 0.000 1.267 574 c CA -0.649 55.813 56.329 0.222 0.000 1.618 574 c CB -0.202 42.448 42.510 0.234 0.000 2.278 574 c HN 1.074 nan 8.230 nan 0.000 0.499 575 G N 2.159 111.043 108.800 0.141 0.000 2.948 575 G HA2 0.287 4.244 3.960 -0.005 0.000 0.174 575 G HA3 0.287 4.244 3.960 -0.005 0.000 0.174 575 G C 0.068 174.999 174.900 0.052 0.000 1.839 575 G CA -0.059 45.083 45.100 0.071 0.000 0.908 575 G HN 0.550 nan 8.290 nan 0.000 0.419 576 F N -0.037 119.942 119.950 0.048 0.000 2.586 576 F HA 0.298 4.822 4.527 -0.005 0.000 0.344 576 F C 0.918 176.737 175.800 0.033 0.000 1.188 576 F CA -0.456 57.570 58.000 0.043 0.000 1.359 576 F CB 0.228 39.256 39.000 0.046 0.000 1.129 576 F HN 0.029 nan 8.300 nan 0.000 0.609 577 c N 4.201 122.937 118.600 0.226 0.000 2.329 577 c HA 0.419 4.986 4.570 -0.005 0.000 0.329 577 c C -1.848 172.373 174.090 0.217 0.000 1.275 577 c CA -1.445 54.965 56.329 0.134 0.000 1.726 577 c CB 0.653 43.192 42.510 0.049 0.000 2.291 577 c HN 0.491 nan 8.230 nan 0.000 0.514 578 P HA 0.063 nan 4.420 nan 0.000 0.267 578 P C -0.491 177.038 177.300 0.380 0.000 1.200 578 P CA 0.198 63.421 63.100 0.205 0.000 0.772 578 P CB 0.186 31.953 31.700 0.112 0.000 0.855 579 V N 0.644 120.723 119.914 0.274 0.000 2.678 579 V HA 0.187 4.304 4.120 -0.005 0.000 0.304 579 V C 1.718 177.981 176.094 0.282 0.000 1.086 579 V CA 1.033 63.478 62.300 0.242 0.000 1.246 579 V CB -1.362 30.558 31.823 0.160 0.000 0.861 579 V HN 1.107 nan 8.190 nan 0.000 0.491 580 G N 2.839 111.746 108.800 0.179 0.000 2.130 580 G HA2 -0.207 3.750 3.960 -0.005 0.000 0.216 580 G HA3 -0.207 3.750 3.960 -0.005 0.000 0.216 580 G C -0.456 174.313 174.900 -0.219 0.000 0.999 580 G CA -0.015 45.081 45.100 -0.007 0.000 0.686 580 G HN 0.602 nan 8.290 nan 0.000 0.515 581 F N -1.718 118.262 119.950 0.049 0.000 2.679 581 F HA 0.831 5.355 4.527 -0.005 0.000 0.341 581 F C 0.711 176.497 175.800 -0.023 0.000 1.095 581 F CA -1.166 56.837 58.000 0.006 0.000 1.004 581 F CB 0.959 39.946 39.000 -0.022 0.000 1.388 581 F HN 0.110 nan 8.300 nan 0.000 0.505 582 L N 0.165 121.489 121.223 0.168 0.000 2.859 582 L HA 0.680 5.017 4.340 -0.005 0.000 0.181 582 L C 0.786 177.675 176.870 0.032 0.000 1.196 582 L CA 0.353 55.229 54.840 0.061 0.000 1.062 582 L CB 0.050 42.130 42.059 0.036 0.000 1.961 582 L HN 0.665 nan 8.230 nan 0.000 0.507 583 G N -1.320 107.484 108.800 0.007 0.000 2.606 583 G HA2 0.203 4.160 3.960 -0.005 0.000 0.262 583 G HA3 0.203 4.160 3.960 -0.005 0.000 0.262 583 G C -0.790 174.101 174.900 -0.016 0.000 1.394 583 G CA -0.486 44.612 45.100 -0.003 0.000 1.044 583 G HN 0.689 nan 8.290 nan 0.000 0.553 584 N N -1.259 117.437 118.700 -0.006 0.000 2.470 584 N HA -0.131 4.606 4.740 -0.005 0.000 0.292 584 N C 1.255 176.773 175.510 0.013 0.000 1.531 584 N CA 0.905 53.961 53.050 0.009 0.000 0.780 584 N CB -0.592 37.901 38.487 0.009 0.000 0.975 584 N HN 0.912 nan 8.380 nan 0.000 0.466 585 G N 1.696 110.525 108.800 0.049 0.000 2.498 585 G HA2 -0.238 3.719 3.960 -0.005 0.000 0.219 585 G HA3 -0.238 3.719 3.960 -0.005 0.000 0.219 585 G C 1.403 176.365 174.900 0.103 0.000 1.119 585 G CA 1.659 46.798 45.100 0.066 0.000 0.766 585 G HN 0.744 nan 8.290 nan 0.000 0.552 586 T N -2.615 112.039 114.554 0.168 0.000 2.837 586 T HA 0.079 4.426 4.350 -0.005 0.000 0.248 586 T C 0.948 175.813 174.700 0.275 0.000 1.033 586 T CA 0.197 62.460 62.100 0.271 0.000 1.150 586 T CB -0.201 68.907 68.868 0.400 0.000 0.865 586 T HN 0.367 nan 8.240 nan 0.000 0.425 587 H N 0.088 119.168 119.070 0.017 0.000 2.685 587 H HA 0.574 5.127 4.556 -0.005 0.000 0.286 587 H C -0.994 174.242 175.328 -0.153 0.000 1.102 587 H CA -1.023 55.016 56.048 -0.015 0.000 1.254 587 H CB 0.572 30.346 29.762 0.020 0.000 1.397 587 H HN 0.266 nan 8.280 nan 0.000 0.473 588 c N 3.748 122.147 118.600 -0.335 0.000 2.507 588 c HA 0.361 4.928 4.570 -0.005 0.000 0.319 588 c C -0.170 173.705 174.090 -0.358 0.000 1.208 588 c CA -0.361 55.618 56.329 -0.583 0.000 1.619 588 c CB 1.243 43.052 42.510 -1.169 0.000 2.230 588 c HN 0.829 nan 8.230 nan 0.000 0.492 589 E N 1.077 121.266 120.200 -0.017 0.000 2.392 589 E HA 0.286 4.633 4.350 -0.005 0.000 0.269 589 E C -1.633 175.111 176.600 0.241 0.000 0.924 589 E CA -0.599 55.905 56.400 0.173 0.000 0.784 589 E CB 1.894 31.647 29.700 0.088 0.000 1.292 589 E HN 0.761 nan 8.360 nan 0.000 0.447 590 D N 1.007 121.458 120.400 0.086 0.000 2.382 590 D HA 0.165 4.803 4.640 -0.005 0.000 0.245 590 D C -1.060 175.158 176.300 -0.138 0.000 1.120 590 D CA -0.182 53.688 54.000 -0.217 0.000 0.890 590 D CB 0.622 41.310 40.800 -0.188 0.000 1.201 590 D HN 0.144 nan 8.370 nan 0.000 0.433 591 L N 3.027 124.133 121.223 -0.195 0.000 2.334 591 L HA 0.292 4.629 4.340 -0.005 0.000 0.277 591 L C -0.267 176.549 176.870 -0.089 0.000 1.075 591 L CA -0.361 54.419 54.840 -0.101 0.000 0.804 591 L CB 1.494 43.506 42.059 -0.078 0.000 1.174 591 L HN 0.437 nan 8.230 nan 0.000 0.438 592 D N 2.738 123.097 120.400 -0.068 0.000 2.524 592 D HA 0.082 4.719 4.640 -0.005 0.000 0.222 592 D C 0.683 176.918 176.300 -0.109 0.000 1.142 592 D CA -0.079 53.882 54.000 -0.066 0.000 0.973 592 D CB 0.785 41.559 40.800 -0.044 0.000 1.025 592 D HN 0.597 nan 8.370 nan 0.000 0.519 593 E N 0.361 120.458 120.200 -0.172 0.000 2.219 593 E HA -0.165 4.182 4.350 -0.005 0.000 0.198 593 E C 1.769 178.174 176.600 -0.325 0.000 0.998 593 E CA 1.048 57.249 56.400 -0.331 0.000 0.818 593 E CB 0.039 29.332 29.700 -0.679 0.000 0.741 593 E HN 0.486 nan 8.360 nan 0.000 0.477 594 c N 0.151 118.624 118.600 -0.211 0.000 2.863 594 c HA 0.084 4.651 4.570 -0.005 0.000 0.288 594 c C 2.845 176.883 174.090 -0.086 0.000 1.289 594 c CA 0.732 56.985 56.329 -0.126 0.000 1.720 594 c CB -1.058 41.434 42.510 -0.031 0.000 2.153 594 c HN 0.564 nan 8.230 nan 0.000 0.497 595 A N -0.632 122.153 122.820 -0.059 0.000 1.902 595 A HA -0.038 4.279 4.320 -0.005 0.000 0.217 595 A C 1.429 178.986 177.584 -0.046 0.000 1.181 595 A CA 1.619 53.631 52.037 -0.041 0.000 0.623 595 A CB -0.393 18.590 19.000 -0.028 0.000 0.818 595 A HN 0.600 nan 8.150 nan 0.000 0.443 596 L N -0.016 121.175 121.223 -0.054 0.000 2.783 596 L HA 0.354 4.691 4.340 -0.005 0.000 0.265 596 L C -0.222 176.612 176.870 -0.059 0.000 1.398 596 L CA -0.342 54.469 54.840 -0.048 0.000 0.802 596 L CB 1.104 43.141 42.059 -0.036 0.000 1.126 596 L HN 0.112 nan 8.230 nan 0.000 0.529 597 V N -1.522 118.347 119.914 -0.075 0.000 5.031 597 V HA 0.501 4.618 4.120 -0.005 0.000 0.141 597 V C -1.593 174.461 176.094 -0.068 0.000 0.996 597 V CA -0.029 62.224 62.300 -0.079 0.000 1.362 597 V CB -1.003 30.753 31.823 -0.110 0.000 2.079 597 V HN 0.360 nan 8.190 nan 0.000 0.492 598 P HA 0.540 nan 4.420 nan 0.000 0.308 598 P C -1.333 175.938 177.300 -0.049 0.000 1.329 598 P CA 0.263 63.329 63.100 -0.057 0.000 0.825 598 P CB 0.964 32.630 31.700 -0.058 0.000 2.072 599 D N -1.797 118.581 120.400 -0.035 0.000 3.220 599 D HA 0.263 4.900 4.640 -0.005 0.000 0.309 599 D C 0.936 177.237 176.300 0.001 0.000 1.276 599 D CA -0.083 53.904 54.000 -0.022 0.000 0.736 599 D CB -0.421 40.369 40.800 -0.017 0.000 1.304 599 D HN 0.005 nan 8.370 nan 0.000 0.582 600 I N -0.661 119.910 120.570 0.001 0.000 2.208 600 I HA -0.175 3.992 4.170 -0.005 0.000 0.245 600 I C 1.118 177.285 176.117 0.083 0.000 1.097 600 I CA 1.092 62.423 61.300 0.050 0.000 1.363 600 I CB -0.144 37.904 38.000 0.080 0.000 1.051 600 I HN 0.217 nan 8.210 nan 0.000 0.413 601 c N -0.073 118.571 118.600 0.075 0.000 2.335 601 c HA 0.322 4.889 4.570 -0.005 0.000 0.363 601 c C 0.263 174.414 174.090 0.101 0.000 1.198 601 c CA -0.865 55.520 56.329 0.093 0.000 2.279 601 c CB 0.826 43.383 42.510 0.079 0.000 2.334 601 c HN 0.267 nan 8.230 nan 0.000 0.559 602 F N 2.985 122.910 119.950 -0.042 0.000 2.439 602 F HA 0.268 4.792 4.527 -0.005 0.000 0.356 602 F C 0.950 176.697 175.800 -0.088 0.000 1.161 602 F CA -0.493 57.460 58.000 -0.078 0.000 1.151 602 F CB 0.193 39.122 39.000 -0.119 0.000 1.222 602 F HN 0.611 nan 8.300 nan 0.000 0.558 603 S N 3.415 118.828 115.700 -0.478 0.000 2.700 603 S HA 0.100 4.567 4.470 -0.005 0.000 0.321 603 S C 0.294 174.499 174.600 -0.660 0.000 1.161 603 S CA -0.664 57.283 58.200 -0.423 0.000 1.078 603 S CB -0.412 62.647 63.200 -0.236 0.000 1.302 603 S HN 0.602 nan 8.310 nan 0.000 0.540 604 T N 4.000 118.199 114.554 -0.591 0.000 3.462 604 T HA 0.150 4.497 4.350 -0.005 0.000 0.257 604 T C 0.815 175.392 174.700 -0.204 0.000 1.015 604 T CA 0.247 62.062 62.100 -0.475 0.000 1.135 604 T CB -1.023 67.722 68.868 -0.205 0.000 1.061 604 T HN 1.100 nan 8.240 nan 0.000 0.772 605 S N 1.280 116.862 115.700 -0.197 0.000 3.425 605 S HA -0.224 4.243 4.470 -0.005 0.000 0.377 605 S C 0.200 174.756 174.600 -0.073 0.000 0.989 605 S CA 0.957 59.105 58.200 -0.087 0.000 1.183 605 S CB -1.427 61.770 63.200 -0.004 0.000 0.908 605 S HN 0.793 nan 8.310 nan 0.000 0.472 606 K N -1.499 118.840 120.400 -0.101 0.000 2.234 606 K HA 0.636 4.953 4.320 -0.005 0.000 0.263 606 K C 0.466 177.022 176.600 -0.074 0.000 1.006 606 K CA -0.339 55.906 56.287 -0.071 0.000 0.854 606 K CB 1.036 33.502 32.500 -0.056 0.000 1.497 606 K HN -0.026 nan 8.250 nan 0.000 0.417 607 V N 0.228 120.109 119.914 -0.053 0.000 3.484 607 V HA 0.094 4.212 4.120 -0.005 0.000 0.252 607 V C -1.685 174.386 176.094 -0.038 0.000 1.282 607 V CA -0.132 62.140 62.300 -0.046 0.000 1.104 607 V CB -0.307 31.496 31.823 -0.034 0.000 0.868 607 V HN 0.607 nan 8.190 nan 0.000 0.457 608 P HA 0.308 nan 4.420 nan 0.000 0.310 608 P C 0.820 178.110 177.300 -0.017 0.000 1.309 608 P CA -0.066 63.025 63.100 -0.015 0.000 0.753 608 P CB 0.360 32.056 31.700 -0.006 0.000 1.491 609 R N -3.638 116.864 120.500 0.003 0.000 1.485 609 R HA -0.099 4.238 4.340 -0.005 0.000 0.129 609 R C 0.050 176.371 176.300 0.035 0.000 0.870 609 R CA 0.947 57.054 56.100 0.011 0.000 1.889 609 R CB -2.292 28.000 30.300 -0.013 0.000 0.713 609 R HN 0.561 nan 8.270 nan 0.000 0.664 610 c N 3.333 121.958 118.600 0.041 0.000 2.527 610 c HA 0.696 5.263 4.570 -0.005 0.000 0.396 610 c C 0.520 174.667 174.090 0.097 0.000 1.289 610 c CA -0.277 56.101 56.329 0.082 0.000 2.047 610 c CB 0.444 42.994 42.510 0.067 0.000 2.568 610 c HN 0.210 nan 8.230 nan 0.000 0.573 611 V N 6.486 126.493 119.914 0.156 0.000 2.444 611 V HA 0.329 4.446 4.120 -0.005 0.000 0.294 611 V C -0.185 176.027 176.094 0.197 0.000 1.022 611 V CA -0.397 61.999 62.300 0.159 0.000 0.850 611 V CB 1.657 33.592 31.823 0.186 0.000 0.992 611 V HN 0.898 nan 8.190 nan 0.000 0.426 612 N N 3.613 122.388 118.700 0.125 0.000 2.422 612 N HA 0.479 5.216 4.740 -0.005 0.000 0.266 612 N C -0.116 175.436 175.510 0.070 0.000 1.007 612 N CA -0.166 52.950 53.050 0.110 0.000 0.941 612 N CB 1.294 39.810 38.487 0.049 0.000 1.115 612 N HN 0.806 nan 8.380 nan 0.000 0.492 613 T N 0.789 115.383 114.554 0.067 0.000 2.952 613 T HA 0.279 4.626 4.350 -0.005 0.000 0.286 613 T C 0.940 175.626 174.700 -0.023 0.000 1.024 613 T CA -0.697 61.408 62.100 0.008 0.000 1.029 613 T CB 1.373 70.224 68.868 -0.028 0.000 1.094 613 T HN 0.298 nan 8.240 nan 0.000 0.515 614 Q N 0.153 119.935 119.800 -0.030 0.000 2.046 614 Q HA 0.112 4.450 4.340 -0.005 0.000 0.200 614 Q C -1.631 174.297 176.000 -0.121 0.000 0.975 614 Q CA 1.258 57.032 55.803 -0.047 0.000 0.836 614 Q CB -1.798 26.949 28.738 0.016 0.000 0.896 614 Q HN 0.569 nan 8.270 nan 0.000 0.428 615 P HA 0.405 nan 4.420 nan 0.000 0.298 615 P C -0.003 177.273 177.300 -0.041 0.000 1.365 615 P CA 0.413 63.480 63.100 -0.054 0.000 0.835 615 P CB 1.319 33.055 31.700 0.059 0.000 0.948 616 G N 3.184 111.959 108.800 -0.042 0.000 2.568 616 G HA2 -0.012 3.945 3.960 -0.005 0.000 0.222 616 G HA3 -0.012 3.945 3.960 -0.005 0.000 0.222 616 G C -0.875 174.135 174.900 0.183 0.000 1.321 616 G CA -0.094 45.051 45.100 0.075 0.000 0.893 616 G HN 0.632 nan 8.290 nan 0.000 0.569 617 F N -2.668 117.285 119.950 0.005 0.000 2.745 617 F HA 0.860 5.384 4.527 -0.005 0.000 0.316 617 F C -0.880 175.001 175.800 0.136 0.000 1.155 617 F CA -1.051 56.974 58.000 0.043 0.000 0.937 617 F CB 1.818 40.832 39.000 0.023 0.000 1.361 617 F HN 0.900 nan 8.300 nan 0.000 0.472 618 H N 0.367 119.438 119.070 0.003 0.000 3.017 618 H HA 0.468 5.021 4.556 -0.005 0.000 0.340 618 H C -1.650 173.713 175.328 0.058 0.000 1.014 618 H CA -1.070 54.932 56.048 -0.076 0.000 1.341 618 H CB 1.633 31.382 29.762 -0.021 0.000 1.739 618 H HN 1.104 nan 8.280 nan 0.000 0.506 619 c N 5.727 124.220 118.600 -0.180 0.000 2.347 619 c HA 0.317 4.884 4.570 -0.005 0.000 0.353 619 c C 0.030 173.964 174.090 -0.261 0.000 1.273 619 c CA -0.712 55.553 56.329 -0.106 0.000 1.861 619 c CB -0.764 41.723 42.510 -0.039 0.000 2.420 619 c HN 0.647 nan 8.230 nan 0.000 0.542 620 L N 7.946 129.098 121.223 -0.118 0.000 2.499 620 L HA 0.215 4.552 4.340 -0.005 0.000 0.281 620 L C -1.548 175.276 176.870 -0.076 0.000 1.234 620 L CA -1.066 53.719 54.840 -0.093 0.000 0.839 620 L CB -0.097 41.961 42.059 -0.003 0.000 1.104 620 L HN 0.491 nan 8.230 nan 0.000 0.500 621 P HA 0.005 nan 4.420 nan 0.000 0.269 621 P C -0.515 176.798 177.300 0.022 0.000 1.215 621 P CA -0.494 62.592 63.100 -0.023 0.000 0.780 621 P CB 0.252 31.949 31.700 -0.006 0.000 0.898 622 c N 4.680 123.296 118.600 0.027 0.000 2.538 622 c HA 0.054 4.621 4.570 -0.005 0.000 0.408 622 c C -1.132 173.027 174.090 0.115 0.000 1.421 622 c CA -0.340 56.027 56.329 0.064 0.000 1.642 622 c CB -1.367 41.164 42.510 0.035 0.000 2.553 622 c HN 0.543 nan 8.230 nan 0.000 0.604 623 P HA 0.233 nan 4.420 nan 0.000 0.274 623 P C -2.552 174.898 177.300 0.251 0.000 1.246 623 P CA -1.216 61.997 63.100 0.188 0.000 0.795 623 P CB -0.343 31.478 31.700 0.201 0.000 1.006 624 P HA -0.036 nan 4.420 nan 0.000 0.267 624 P C 0.452 177.867 177.300 0.190 0.000 1.195 624 P CA 0.627 63.821 63.100 0.156 0.000 0.773 624 P CB -0.010 31.760 31.700 0.117 0.000 0.837 625 R N -2.401 118.122 120.500 0.038 0.000 3.785 625 R HA -0.215 4.122 4.340 -0.005 0.000 0.476 625 R C -0.268 175.885 176.300 -0.245 0.000 0.905 625 R CA 1.160 57.154 56.100 -0.176 0.000 1.412 625 R CB -2.076 27.984 30.300 -0.399 0.000 2.077 625 R HN 0.493 nan 8.270 nan 0.000 0.504 626 Y N -0.194 120.145 120.300 0.065 0.000 2.633 626 Y HA 0.642 5.189 4.550 -0.005 0.000 0.339 626 Y C 0.307 176.192 175.900 -0.025 0.000 1.045 626 Y CA -1.030 57.083 58.100 0.022 0.000 1.098 626 Y CB 1.386 39.853 38.460 0.012 0.000 1.296 626 Y HN -0.027 nan 8.280 nan 0.000 0.494 627 R N 0.548 121.111 120.500 0.106 0.000 2.561 627 R HA 0.711 5.048 4.340 -0.005 0.000 0.266 627 R C -1.438 174.845 176.300 -0.028 0.000 1.091 627 R CA -0.214 55.899 56.100 0.022 0.000 0.927 627 R CB 1.546 31.844 30.300 -0.003 0.000 1.240 627 R HN 0.914 nan 8.270 nan 0.000 0.449 628 G N 2.256 111.033 108.800 -0.038 0.000 2.696 628 G HA2 0.208 4.165 3.960 -0.005 0.000 0.151 628 G HA3 0.208 4.165 3.960 -0.005 0.000 0.151 628 G C -1.411 173.463 174.900 -0.043 0.000 1.197 628 G CA -0.323 44.742 45.100 -0.058 0.000 1.053 628 G HN 0.776 nan 8.290 nan 0.000 0.546 629 N N -0.063 118.609 118.700 -0.046 0.000 2.525 629 N HA 0.453 5.190 4.740 -0.005 0.000 0.288 629 N C -1.080 174.405 175.510 -0.041 0.000 1.242 629 N CA -0.560 52.468 53.050 -0.037 0.000 0.905 629 N CB 2.431 40.900 38.487 -0.030 0.000 1.258 629 N HN 0.499 nan 8.380 nan 0.000 0.551 630 Q N 0.168 119.939 119.800 -0.048 0.000 2.674 630 Q HA 0.353 4.690 4.340 -0.005 0.000 0.249 630 Q C -2.552 173.394 176.000 -0.090 0.000 1.011 630 Q CA -1.674 54.083 55.803 -0.077 0.000 0.734 630 Q CB 1.087 29.767 28.738 -0.097 0.000 1.201 630 Q HN 0.409 nan 8.270 nan 0.000 0.498 631 P HA -0.047 nan 4.420 nan 0.000 0.261 631 P C -1.147 176.042 177.300 -0.185 0.000 1.183 631 P CA 0.256 63.313 63.100 -0.071 0.000 0.761 631 P CB 0.625 32.337 31.700 0.020 0.000 0.785 632 V N 3.662 123.453 119.914 -0.205 0.000 2.540 632 V HA 0.792 4.909 4.120 -0.005 0.000 0.302 632 V C 0.542 176.402 176.094 -0.389 0.000 1.035 632 V CA -0.451 61.670 62.300 -0.298 0.000 0.873 632 V CB 2.098 33.854 31.823 -0.111 0.000 0.992 632 V HN 0.704 nan 8.190 nan 0.000 0.428 633 G N 2.557 110.909 108.800 -0.746 0.000 2.687 633 G HA2 0.597 4.554 3.960 -0.005 0.000 0.301 633 G HA3 0.597 4.554 3.960 -0.005 0.000 0.301 633 G C -1.413 173.384 174.900 -0.173 0.000 1.416 633 G CA -0.510 44.332 45.100 -0.429 0.000 1.005 633 G HN 0.526 nan 8.290 nan 0.000 0.509 634 V N 2.452 122.374 119.914 0.014 0.000 2.318 634 V HA 0.826 4.943 4.120 -0.005 0.000 0.271 634 V C 0.973 177.156 176.094 0.147 0.000 1.030 634 V CA 0.937 63.285 62.300 0.080 0.000 0.844 634 V CB -0.083 31.771 31.823 0.052 0.000 1.015 634 V HN 1.764 nan 8.190 nan 0.000 0.460 635 G N 3.758 112.673 108.800 0.193 0.000 2.342 635 G HA2 -0.004 3.953 3.960 -0.005 0.000 0.220 635 G HA3 -0.004 3.953 3.960 -0.005 0.000 0.220 635 G C -0.301 174.686 174.900 0.146 0.000 1.243 635 G CA 0.021 45.215 45.100 0.157 0.000 1.083 635 G HN 0.989 nan 8.290 nan 0.000 0.500 636 L N -1.307 119.972 121.223 0.093 0.000 2.766 636 L HA 0.575 4.912 4.340 -0.005 0.000 0.241 636 L C 1.895 178.784 176.870 0.031 0.000 1.080 636 L CA 1.499 56.356 54.840 0.029 0.000 0.909 636 L CB 0.177 42.247 42.059 0.019 0.000 1.277 636 L HN 0.637 nan 8.230 nan 0.000 0.510 637 E N 0.339 120.576 120.200 0.062 0.000 2.371 637 E HA 0.088 4.435 4.350 -0.005 0.000 0.194 637 E C 1.742 178.385 176.600 0.071 0.000 1.012 637 E CA 0.641 57.075 56.400 0.056 0.000 0.860 637 E CB 0.169 29.905 29.700 0.060 0.000 0.811 637 E HN 0.602 nan 8.360 nan 0.000 0.502 638 A N 0.704 123.589 122.820 0.108 0.000 2.238 638 A HA 0.207 4.524 4.320 -0.005 0.000 0.208 638 A C 1.996 179.698 177.584 0.198 0.000 1.177 638 A CA 0.899 53.025 52.037 0.148 0.000 0.804 638 A CB -0.026 19.080 19.000 0.176 0.000 0.823 638 A HN 0.233 nan 8.150 nan 0.000 0.482 639 A N 0.109 122.991 122.820 0.104 0.000 1.973 639 A HA 0.106 4.423 4.320 -0.005 0.000 0.210 639 A C 2.010 179.583 177.584 -0.018 0.000 1.200 639 A CA 0.841 52.867 52.037 -0.018 0.000 0.707 639 A CB -0.078 18.745 19.000 -0.295 0.000 0.862 639 A HN 0.377 nan 8.150 nan 0.000 0.461 640 K N 0.351 120.747 120.400 -0.006 0.000 2.062 640 K HA 0.003 4.320 4.320 -0.005 0.000 0.205 640 K C 0.227 176.842 176.600 0.024 0.000 1.051 640 K CA 1.115 57.402 56.287 -0.000 0.000 0.941 640 K CB -0.544 31.956 32.500 -0.001 0.000 0.719 640 K HN 0.429 nan 8.250 nan 0.000 0.440 641 T N 1.426 116.005 114.554 0.041 0.000 2.899 641 T HA 0.076 4.423 4.350 -0.005 0.000 0.295 641 T C -0.136 174.606 174.700 0.070 0.000 1.033 641 T CA -0.559 61.570 62.100 0.048 0.000 1.084 641 T CB 1.184 70.080 68.868 0.047 0.000 0.979 641 T HN 0.268 nan 8.240 nan 0.000 0.532 642 E N 0.829 121.065 120.200 0.060 0.000 7.439 642 E HA -0.156 4.191 4.350 -0.005 0.000 0.300 642 E C -1.153 175.495 176.600 0.080 0.000 0.813 642 E CA 0.158 56.599 56.400 0.067 0.000 1.419 642 E CB 0.003 29.752 29.700 0.081 0.000 0.921 642 E HN 0.548 nan 8.360 nan 0.000 0.266 643 K N 3.894 124.329 120.400 0.058 0.000 2.482 643 K HA 0.196 4.513 4.320 -0.005 0.000 0.251 643 K C -0.772 175.857 176.600 0.049 0.000 0.936 643 K CA -0.642 55.682 56.287 0.061 0.000 0.791 643 K CB 1.775 34.304 32.500 0.050 0.000 1.213 643 K HN 0.572 nan 8.250 nan 0.000 0.428 644 Q N 3.014 122.851 119.800 0.062 0.000 2.262 644 Q HA 0.125 4.462 4.340 -0.005 0.000 0.272 644 Q C -1.071 174.938 176.000 0.015 0.000 1.076 644 Q CA -0.081 55.746 55.803 0.040 0.000 0.905 644 Q CB 0.640 29.418 28.738 0.067 0.000 1.182 644 Q HN 0.224 nan 8.270 nan 0.000 0.390 645 V N 5.468 125.357 119.914 -0.042 0.000 2.350 645 V HA 0.256 4.373 4.120 -0.005 0.000 0.276 645 V C -0.446 175.517 176.094 -0.217 0.000 1.028 645 V CA -0.713 61.525 62.300 -0.105 0.000 0.860 645 V CB 1.225 33.011 31.823 -0.062 0.000 0.990 645 V HN 0.893 nan 8.190 nan 0.000 0.453 646 c N 4.969 123.273 118.600 -0.493 0.000 2.322 646 c HA 0.566 5.133 4.570 -0.005 0.000 0.324 646 c C 0.111 173.973 174.090 -0.380 0.000 1.284 646 c CA -0.940 55.037 56.329 -0.586 0.000 1.606 646 c CB 0.688 42.481 42.510 -1.196 0.000 2.251 646 c HN 0.740 nan 8.230 nan 0.000 0.502 647 E N 4.175 124.316 120.200 -0.098 0.000 2.231 647 E HA 0.356 4.703 4.350 -0.005 0.000 0.277 647 E C -2.369 174.261 176.600 0.050 0.000 0.999 647 E CA -2.447 53.945 56.400 -0.012 0.000 0.827 647 E CB 1.066 30.737 29.700 -0.049 0.000 1.101 647 E HN 0.413 nan 8.360 nan 0.000 0.393 648 P HA 0.071 nan 4.420 nan 0.000 0.270 648 P C -0.093 177.111 177.300 -0.160 0.000 1.242 648 P CA 0.100 63.032 63.100 -0.280 0.000 0.768 648 P CB 0.557 32.106 31.700 -0.250 0.000 0.820 649 E N 3.053 123.153 120.200 -0.166 0.000 2.438 649 E HA 0.023 4.370 4.350 -0.005 0.000 0.261 649 E C 0.180 176.727 176.600 -0.088 0.000 1.103 649 E CA 0.425 56.761 56.400 -0.106 0.000 0.959 649 E CB 0.236 29.883 29.700 -0.090 0.000 0.958 649 E HN 0.490 nan 8.360 nan 0.000 0.447 650 N N 2.376 121.006 118.700 -0.116 0.000 3.357 650 N HA 0.093 4.830 4.740 -0.005 0.000 0.206 650 N C -2.531 172.875 175.510 -0.174 0.000 1.458 650 N CA -0.884 52.062 53.050 -0.173 0.000 0.776 650 N CB 0.779 39.035 38.487 -0.385 0.000 1.626 650 N HN 0.110 nan 8.380 nan 0.000 0.644 651 P HA -0.033 nan 4.420 nan 0.000 0.221 651 P C 0.845 178.032 177.300 -0.188 0.000 1.145 651 P CA 0.645 63.564 63.100 -0.302 0.000 0.795 651 P CB 0.231 31.498 31.700 -0.721 0.000 0.775 652 c N -0.521 117.983 118.600 -0.160 0.000 2.489 652 c HA -0.030 4.537 4.570 -0.005 0.000 0.279 652 c C 2.514 176.567 174.090 -0.062 0.000 1.266 652 c CA 0.787 57.067 56.329 -0.083 0.000 1.707 652 c CB -1.240 41.230 42.510 -0.065 0.000 2.059 652 c HN 0.251 nan 8.230 nan 0.000 0.481 653 K N 0.331 120.649 120.400 -0.136 0.000 2.228 653 K HA -0.058 4.259 4.320 -0.005 0.000 0.202 653 K C 0.906 177.446 176.600 -0.100 0.000 1.051 653 K CA 0.810 57.023 56.287 -0.123 0.000 0.960 653 K CB -0.111 32.284 32.500 -0.176 0.000 0.743 653 K HN 0.470 nan 8.250 nan 0.000 0.458 654 D N 1.279 121.612 120.400 -0.111 0.000 2.340 654 D HA -0.040 4.597 4.640 -0.005 0.000 0.220 654 D C -0.291 175.945 176.300 -0.106 0.000 1.039 654 D CA 0.376 54.312 54.000 -0.106 0.000 0.866 654 D CB 0.224 40.955 40.800 -0.116 0.000 0.913 654 D HN 0.124 nan 8.370 nan 0.000 0.523 655 K N -0.219 120.130 120.400 -0.085 0.000 3.100 655 K HA -0.220 4.097 4.320 -0.005 0.000 0.261 655 K C 0.642 177.079 176.600 -0.271 0.000 0.920 655 K CA 1.250 57.444 56.287 -0.156 0.000 0.683 655 K CB -2.980 29.438 32.500 -0.136 0.000 1.349 655 K HN 0.207 nan 8.250 nan 0.000 0.473 656 T N -3.278 111.136 114.554 -0.234 0.000 3.092 656 T HA -0.003 4.345 4.350 -0.005 0.000 0.258 656 T C 0.813 175.365 174.700 -0.246 0.000 1.031 656 T CA -0.207 61.759 62.100 -0.224 0.000 0.925 656 T CB -0.423 68.355 68.868 -0.149 0.000 1.036 656 T HN 0.608 nan 8.240 nan 0.000 0.544 657 H N 1.936 120.876 119.070 -0.218 0.000 2.671 657 H HA 0.260 4.813 4.556 -0.005 0.000 0.372 657 H C 0.166 175.457 175.328 -0.061 0.000 1.227 657 H CA -0.120 55.790 56.048 -0.230 0.000 1.426 657 H CB 0.504 30.105 29.762 -0.267 0.000 1.480 657 H HN 0.227 nan 8.280 nan 0.000 0.611 658 N N 0.866 119.699 118.700 0.222 0.000 2.238 658 N HA 0.081 4.818 4.740 -0.005 0.000 0.222 658 N C -0.454 175.187 175.510 0.217 0.000 1.133 658 N CA -0.428 52.719 53.050 0.161 0.000 0.854 658 N CB -0.675 37.896 38.487 0.141 0.000 1.041 658 N HN 0.276 nan 8.380 nan 0.000 0.510 659 c N 1.286 120.115 118.600 0.382 0.000 2.604 659 c HA 0.145 4.712 4.570 -0.005 0.000 0.396 659 c C 1.105 175.298 174.090 0.171 0.000 1.282 659 c CA -0.767 55.704 56.329 0.237 0.000 2.292 659 c CB -0.260 42.288 42.510 0.062 0.000 2.633 659 c HN 0.472 nan 8.230 nan 0.000 0.620 660 H N 2.248 121.325 119.070 0.013 0.000 2.871 660 H HA -0.005 4.548 4.556 -0.005 0.000 0.355 660 H C 1.261 176.521 175.328 -0.112 0.000 1.092 660 H CA 0.780 56.797 56.048 -0.052 0.000 1.420 660 H CB 0.544 30.267 29.762 -0.066 0.000 1.400 660 H HN 0.755 nan 8.280 nan 0.000 0.604 661 K N 2.535 122.557 120.400 -0.630 0.000 2.144 661 K HA -0.217 4.101 4.320 -0.005 0.000 0.209 661 K C 0.343 176.675 176.600 -0.447 0.000 1.047 661 K CA 1.589 57.536 56.287 -0.566 0.000 0.927 661 K CB 0.028 32.032 32.500 -0.826 0.000 0.716 661 K HN 0.636 nan 8.250 nan 0.000 0.454 662 H N -1.376 117.651 119.070 -0.072 0.000 2.488 662 H HA 0.338 4.890 4.556 -0.005 0.000 0.294 662 H C -0.390 174.816 175.328 -0.204 0.000 1.088 662 H CA 0.160 56.029 56.048 -0.299 0.000 1.086 662 H CB 0.387 29.578 29.762 -0.952 0.000 1.569 662 H HN 0.172 nan 8.280 nan 0.000 0.548 663 A N 0.390 123.223 122.820 0.021 0.000 2.356 663 A HA 0.454 4.771 4.320 -0.005 0.000 0.323 663 A C -0.056 177.499 177.584 -0.048 0.000 1.119 663 A CA -0.650 51.384 52.037 -0.006 0.000 0.790 663 A CB 2.033 21.055 19.000 0.037 0.000 1.273 663 A HN 0.231 nan 8.150 nan 0.000 0.452 664 E N 0.260 120.422 120.200 -0.063 0.000 2.175 664 E HA 0.320 4.667 4.350 -0.005 0.000 0.278 664 E C -1.004 175.522 176.600 -0.124 0.000 0.969 664 E CA -0.382 55.961 56.400 -0.094 0.000 0.796 664 E CB 1.438 31.095 29.700 -0.071 0.000 1.104 664 E HN 0.712 nan 8.360 nan 0.000 0.395 665 c N 5.919 124.379 118.600 -0.234 0.000 2.482 665 c HA 0.413 4.980 4.570 -0.005 0.000 0.378 665 c C -0.026 174.037 174.090 -0.045 0.000 1.284 665 c CA -0.355 55.856 56.329 -0.197 0.000 1.826 665 c CB -1.236 40.975 42.510 -0.499 0.000 2.473 665 c HN 0.573 nan 8.230 nan 0.000 0.562 666 I N 6.864 127.467 120.570 0.055 0.000 2.382 666 I HA 0.228 4.395 4.170 -0.005 0.000 0.286 666 I C -0.592 175.625 176.117 0.167 0.000 1.002 666 I CA -0.499 60.847 61.300 0.077 0.000 1.135 666 I CB 0.870 38.888 38.000 0.030 0.000 1.288 666 I HN 0.647 nan 8.210 nan 0.000 0.448 667 Y N 6.950 127.264 120.300 0.025 0.000 2.496 667 Y HA 0.177 4.724 4.550 -0.005 0.000 0.334 667 Y C 0.534 176.446 175.900 0.018 0.000 1.080 667 Y CA -0.002 58.118 58.100 0.034 0.000 1.355 667 Y CB 0.748 39.208 38.460 -0.001 0.000 1.193 667 Y HN 0.523 nan 8.280 nan 0.000 0.523 668 L N 5.361 126.397 121.223 -0.313 0.000 2.567 668 L HA 0.298 4.635 4.340 -0.005 0.000 0.225 668 L C 0.861 177.437 176.870 -0.491 0.000 1.119 668 L CA 0.580 55.236 54.840 -0.307 0.000 0.871 668 L CB -0.540 41.406 42.059 -0.189 0.000 1.036 668 L HN 0.991 nan 8.230 nan 0.000 0.459 669 G N -1.590 106.583 108.800 -1.044 0.000 2.640 669 G HA2 -0.189 3.768 3.960 -0.005 0.000 0.686 669 G HA3 -0.189 3.768 3.960 -0.005 0.000 0.686 669 G C 0.241 174.778 174.900 -0.605 0.000 1.229 669 G CA -0.264 44.363 45.100 -0.789 0.000 0.796 669 G HN 0.150 nan 8.290 nan 0.000 0.654 670 H N 0.701 119.542 119.070 -0.382 0.000 2.321 670 H HA -0.112 4.442 4.556 -0.005 0.000 0.295 670 H C 1.847 176.924 175.328 -0.418 0.000 1.102 670 H CA 2.384 58.218 56.048 -0.357 0.000 1.266 670 H CB 0.075 29.521 29.762 -0.526 0.000 1.363 670 H HN 0.450 nan 8.280 nan 0.000 0.492 671 F N 0.466 120.357 119.950 -0.098 0.000 2.732 671 F HA 0.114 4.638 4.527 -0.005 0.000 0.303 671 F C 1.351 177.068 175.800 -0.138 0.000 1.110 671 F CA -0.246 57.700 58.000 -0.091 0.000 1.355 671 F CB 0.351 39.373 39.000 0.036 0.000 1.081 671 F HN -0.045 nan 8.300 nan 0.000 0.565 672 S N 0.177 115.826 115.700 -0.084 0.000 2.603 672 S HA 0.131 4.598 4.470 -0.005 0.000 0.268 672 S C -0.342 174.226 174.600 -0.053 0.000 1.317 672 S CA -0.511 57.629 58.200 -0.100 0.000 1.012 672 S CB 0.432 63.527 63.200 -0.175 0.000 0.926 672 S HN 0.071 nan 8.310 nan 0.000 0.539 673 D N 3.977 124.362 120.400 -0.025 0.000 2.454 673 D HA 0.400 5.037 4.640 -0.005 0.000 0.247 673 D C -2.219 174.057 176.300 -0.040 0.000 1.129 673 D CA -1.027 52.964 54.000 -0.015 0.000 0.877 673 D CB 1.663 42.479 40.800 0.027 0.000 1.082 673 D HN 0.401 nan 8.370 nan 0.000 0.537 677 K N 0.926 121.285 120.400 -0.068 0.000 2.466 677 K HA 0.888 5.205 4.320 -0.005 0.000 0.260 677 K C -1.864 174.756 176.600 0.032 0.000 1.011 677 K CA -0.822 55.366 56.287 -0.165 0.000 0.871 677 K CB 2.152 34.578 32.500 -0.123 0.000 1.404 677 K HN 0.805 nan 8.250 nan 0.000 0.450 678 c N 1.319 119.919 118.600 -0.000 0.000 2.281 678 c HA 0.489 5.056 4.570 -0.005 0.000 0.325 678 c C -0.635 173.448 174.090 -0.012 0.000 1.282 678 c CA -0.447 55.896 56.329 0.024 0.000 1.640 678 c CB -0.059 42.485 42.510 0.057 0.000 2.288 678 c HN 0.730 nan 8.230 nan 0.000 0.507 679 E N 1.013 121.196 120.200 -0.028 0.000 2.222 679 E HA 0.311 4.658 4.350 -0.005 0.000 0.267 679 E C -0.889 175.676 176.600 -0.057 0.000 0.884 679 E CA -0.434 55.935 56.400 -0.052 0.000 0.764 679 E CB 1.741 31.404 29.700 -0.062 0.000 1.169 679 E HN 0.678 nan 8.360 nan 0.000 0.413 680 c N 2.750 121.306 118.600 -0.073 0.000 2.653 680 c HA 0.033 4.600 4.570 -0.005 0.000 0.421 680 c C 0.855 174.927 174.090 -0.030 0.000 1.334 680 c CA -0.222 56.076 56.329 -0.052 0.000 1.885 680 c CB -0.414 42.062 42.510 -0.057 0.000 2.645 680 c HN 0.682 nan 8.230 nan 0.000 0.601 681 Q N 1.172 120.986 119.800 0.024 0.000 2.454 681 Q HA 0.160 4.497 4.340 -0.005 0.000 0.247 681 Q C 0.454 176.514 176.000 0.100 0.000 1.028 681 Q CA 0.266 56.103 55.803 0.056 0.000 0.910 681 Q CB 0.379 29.186 28.738 0.115 0.000 1.276 681 Q HN 0.725 nan 8.270 nan 0.000 0.489 682 T N 1.321 115.830 114.554 -0.074 0.000 2.891 682 T HA 0.153 4.500 4.350 -0.005 0.000 0.296 682 T C 1.095 175.743 174.700 -0.086 0.000 1.025 682 T CA 1.109 63.117 62.100 -0.153 0.000 1.149 682 T CB -0.060 68.549 68.868 -0.432 0.000 1.007 682 T HN 0.931 nan 8.240 nan 0.000 0.528 683 G N 2.022 110.731 108.800 -0.151 0.000 2.175 683 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.244 683 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.244 683 G C -0.210 174.365 174.900 -0.541 0.000 0.982 683 G CA -0.191 44.713 45.100 -0.327 0.000 0.641 683 G HN 0.718 nan 8.290 nan 0.000 0.527 684 Y N 0.038 120.280 120.300 -0.097 0.000 2.605 684 Y HA 0.775 5.321 4.550 -0.005 0.000 0.343 684 Y C 0.347 176.171 175.900 -0.127 0.000 1.036 684 Y CA -0.441 57.601 58.100 -0.096 0.000 1.065 684 Y CB 2.196 40.611 38.460 -0.076 0.000 1.288 684 Y HN 0.657 nan 8.280 nan 0.000 0.481 685 A N 0.410 123.261 122.820 0.051 0.000 2.539 685 A HA 0.955 5.272 4.320 -0.005 0.000 0.296 685 A C -0.322 177.232 177.584 -0.049 0.000 1.073 685 A CA -0.022 51.972 52.037 -0.072 0.000 0.700 685 A CB 1.654 20.604 19.000 -0.083 0.000 1.296 685 A HN 1.302 nan 8.150 nan 0.000 0.405 686 G N 0.140 108.897 108.800 -0.072 0.000 2.399 686 G HA2 0.425 4.382 3.960 -0.005 0.000 0.256 686 G HA3 0.425 4.382 3.960 -0.005 0.000 0.256 686 G C -0.959 173.950 174.900 0.014 0.000 1.236 686 G CA 0.424 45.509 45.100 -0.026 0.000 0.914 686 G HN 1.103 nan 8.290 nan 0.000 0.482 687 D N -0.639 119.762 120.400 0.000 0.000 2.402 687 D HA 0.405 5.042 4.640 -0.005 0.000 0.216 687 D C 1.585 177.887 176.300 0.003 0.000 1.128 687 D CA 0.907 54.919 54.000 0.020 0.000 0.833 687 D CB 0.264 41.067 40.800 0.005 0.000 0.971 687 D HN 2.005 nan 8.370 nan 0.000 0.503 688 G N 0.748 109.538 108.800 -0.017 0.000 2.363 688 G HA2 -0.354 3.603 3.960 -0.005 0.000 0.238 688 G HA3 -0.354 3.603 3.960 -0.005 0.000 0.238 688 G C 1.043 175.965 174.900 0.037 0.000 1.062 688 G CA 0.400 45.499 45.100 -0.001 0.000 0.629 688 G HN 0.382 nan 8.290 nan 0.000 0.514 689 L N -0.279 120.965 121.223 0.035 0.000 2.162 689 L HA 0.468 4.805 4.340 -0.005 0.000 0.205 689 L C 1.301 178.220 176.870 0.082 0.000 1.086 689 L CA 0.915 55.800 54.840 0.075 0.000 0.778 689 L CB 0.013 42.105 42.059 0.055 0.000 0.928 689 L HN 0.408 nan 8.230 nan 0.000 0.446 690 I N -0.606 119.943 120.570 -0.036 0.000 2.465 690 I HA 0.346 4.513 4.170 -0.005 0.000 0.291 690 I C -1.166 174.741 176.117 -0.351 0.000 1.014 690 I CA -0.280 60.906 61.300 -0.190 0.000 1.093 690 I CB 1.687 39.650 38.000 -0.061 0.000 1.267 690 I HN -0.090 nan 8.210 nan 0.000 0.431 691 c N 5.912 124.051 118.600 -0.768 0.000 2.431 691 c HA 0.919 5.486 4.570 -0.005 0.000 0.321 691 c C 0.460 174.430 174.090 -0.200 0.000 1.202 691 c CA -0.484 55.579 56.329 -0.442 0.000 1.398 691 c CB 0.383 42.620 42.510 -0.456 0.000 2.047 691 c HN 0.975 nan 8.230 nan 0.000 0.465 692 G N 1.451 110.262 108.800 0.018 0.000 2.685 692 G HA2 0.606 4.563 3.960 -0.005 0.000 0.298 692 G HA3 0.606 4.563 3.960 -0.005 0.000 0.298 692 G C -0.864 174.146 174.900 0.183 0.000 1.277 692 G CA -0.275 44.901 45.100 0.127 0.000 0.986 692 G HN 0.688 nan 8.290 nan 0.000 0.487 693 E N 0.356 120.612 120.200 0.094 0.000 2.465 693 E HA 0.048 4.395 4.350 -0.005 0.000 0.260 693 E C -0.922 175.642 176.600 -0.059 0.000 0.980 693 E CA 0.536 56.898 56.400 -0.064 0.000 0.927 693 E CB 1.614 31.277 29.700 -0.062 0.000 0.934 693 E HN 0.462 nan 8.360 nan 0.000 0.459 694 D N 1.290 121.614 120.400 -0.127 0.000 2.404 694 D HA 0.051 4.688 4.640 -0.005 0.000 0.267 694 D C 0.669 176.913 176.300 -0.092 0.000 1.194 694 D CA -0.410 53.544 54.000 -0.076 0.000 0.910 694 D CB 0.412 41.173 40.800 -0.064 0.000 1.090 694 D HN 0.189 nan 8.370 nan 0.000 0.511 695 S N 2.190 117.852 115.700 -0.064 0.000 2.489 695 S HA -0.119 4.348 4.470 -0.005 0.000 0.228 695 S C 0.951 175.543 174.600 -0.013 0.000 0.995 695 S CA 0.665 58.840 58.200 -0.042 0.000 0.934 695 S CB -0.032 63.173 63.200 0.009 0.000 0.771 695 S HN 0.465 nan 8.310 nan 0.000 0.522 696 D N 0.770 121.154 120.400 -0.027 0.000 2.469 696 D HA 0.180 4.817 4.640 -0.005 0.000 0.215 696 D C 0.710 176.996 176.300 -0.025 0.000 1.154 696 D CA -0.363 53.618 54.000 -0.032 0.000 0.832 696 D CB -0.823 39.909 40.800 -0.113 0.000 1.008 696 D HN 0.405 nan 8.370 nan 0.000 0.506 697 L N 0.707 121.914 121.223 -0.026 0.000 3.843 697 L HA -0.246 4.091 4.340 -0.005 0.000 0.411 697 L C -0.148 176.713 176.870 -0.015 0.000 1.205 697 L CA 0.897 55.721 54.840 -0.028 0.000 0.945 697 L CB -1.746 40.312 42.059 -0.001 0.000 1.929 697 L HN 0.257 nan 8.230 nan 0.000 0.934 698 D N -0.459 119.950 120.400 0.016 0.000 2.388 698 D HA 0.309 4.946 4.640 -0.005 0.000 0.221 698 D C 1.476 177.843 176.300 0.111 0.000 1.133 698 D CA 0.517 54.566 54.000 0.082 0.000 0.831 698 D CB 0.483 41.349 40.800 0.111 0.000 0.962 698 D HN 0.425 nan 8.370 nan 0.000 0.502 699 G N -0.476 108.302 108.800 -0.037 0.000 2.184 699 G HA2 -0.288 3.669 3.960 -0.005 0.000 0.264 699 G HA3 -0.288 3.669 3.960 -0.005 0.000 0.264 699 G C -0.396 174.322 174.900 -0.303 0.000 0.975 699 G CA 0.179 45.136 45.100 -0.239 0.000 0.642 699 G HN 0.300 nan 8.290 nan 0.000 0.536 700 W N 2.071 123.394 121.300 0.039 0.000 2.376 700 W HA 0.586 5.243 4.660 -0.005 0.000 0.312 700 W C -1.811 174.707 176.519 -0.002 0.000 1.060 700 W CA -2.477 54.896 57.345 0.047 0.000 1.221 700 W CB 1.537 31.002 29.460 0.009 0.000 1.281 700 W HN -0.048 nan 8.180 nan 0.000 0.456 701 P HA 0.070 nan 4.420 nan 0.000 0.277 701 P C 0.256 177.604 177.300 0.080 0.000 1.240 701 P CA -0.077 63.079 63.100 0.093 0.000 0.798 701 P CB 1.239 32.984 31.700 0.075 0.000 0.979 702 N N 0.702 119.418 118.700 0.026 0.000 2.289 702 N HA -0.059 4.678 4.740 -0.005 0.000 0.184 702 N C 0.658 176.171 175.510 0.005 0.000 1.016 702 N CA 1.174 54.218 53.050 -0.010 0.000 0.872 702 N CB -0.498 37.970 38.487 -0.031 0.000 0.973 702 N HN 0.435 nan 8.380 nan 0.000 0.433 703 L N -0.158 121.083 121.223 0.030 0.000 2.301 703 L HA 0.374 4.711 4.340 -0.005 0.000 0.264 703 L C -0.095 176.806 176.870 0.051 0.000 1.016 703 L CA -1.167 53.693 54.840 0.033 0.000 0.821 703 L CB 1.045 43.122 42.059 0.031 0.000 1.346 703 L HN -0.178 nan 8.230 nan 0.000 0.429 704 N N 1.976 120.703 118.700 0.045 0.000 2.412 704 N HA 0.273 5.010 4.740 -0.005 0.000 0.258 704 N C -0.767 174.770 175.510 0.044 0.000 1.236 704 N CA 0.344 53.425 53.050 0.050 0.000 0.882 704 N CB 0.506 39.015 38.487 0.037 0.000 1.066 704 N HN 0.359 nan 8.380 nan 0.000 0.465 705 L N 0.298 121.549 121.223 0.046 0.000 2.313 705 L HA 0.409 4.746 4.340 -0.005 0.000 0.268 705 L C 1.203 178.088 176.870 0.026 0.000 1.010 705 L CA -1.173 53.686 54.840 0.033 0.000 0.814 705 L CB 1.216 43.289 42.059 0.024 0.000 1.304 705 L HN 0.257 nan 8.230 nan 0.000 0.441 706 V N -1.957 117.970 119.914 0.022 0.000 3.297 706 V HA -0.009 4.108 4.120 -0.005 0.000 0.357 706 V C 0.670 176.772 176.094 0.013 0.000 1.238 706 V CA 0.119 62.430 62.300 0.019 0.000 1.454 706 V CB -1.329 30.507 31.823 0.022 0.000 1.159 706 V HN 0.925 nan 8.190 nan 0.000 0.435 707 c N -2.254 116.353 118.600 0.012 0.000 3.512 707 c HA 0.782 5.349 4.570 -0.005 0.000 0.276 707 c C 2.080 176.174 174.090 0.007 0.000 1.592 707 c CA 0.083 56.416 56.329 0.005 0.000 1.803 707 c CB -0.445 42.065 42.510 -0.001 0.000 2.996 707 c HN 0.626 nan 8.230 nan 0.000 0.590 708 A N 1.967 124.797 122.820 0.017 0.000 2.216 708 A HA 0.087 4.404 4.320 -0.005 0.000 0.214 708 A C 2.115 179.705 177.584 0.010 0.000 1.160 708 A CA 2.196 54.248 52.037 0.025 0.000 0.725 708 A CB -0.588 18.433 19.000 0.034 0.000 0.784 708 A HN 0.824 nan 8.150 nan 0.000 0.472 709 T N -2.593 111.962 114.554 0.001 0.000 3.026 709 T HA -0.035 4.312 4.350 -0.005 0.000 0.245 709 T C 1.304 175.993 174.700 -0.018 0.000 1.004 709 T CA 0.570 62.666 62.100 -0.007 0.000 1.069 709 T CB -0.432 68.433 68.868 -0.004 0.000 1.005 709 T HN 0.498 nan 8.240 nan 0.000 0.472 710 N N 2.481 121.169 118.700 -0.019 0.000 2.322 710 N HA 0.355 5.092 4.740 -0.005 0.000 0.194 710 N C 0.017 175.500 175.510 -0.045 0.000 1.126 710 N CA -0.124 52.910 53.050 -0.027 0.000 0.845 710 N CB 0.188 38.665 38.487 -0.017 0.000 0.976 710 N HN 0.640 nan 8.380 nan 0.000 0.475 711 A N -0.562 122.225 122.820 -0.056 0.000 2.401 711 A HA 0.616 4.933 4.320 -0.005 0.000 0.310 711 A C 0.838 178.328 177.584 -0.158 0.000 1.075 711 A CA -0.478 51.504 52.037 -0.092 0.000 0.746 711 A CB 1.030 19.991 19.000 -0.065 0.000 1.277 711 A HN 0.159 nan 8.150 nan 0.000 0.425 712 T N -0.167 114.217 114.554 -0.284 0.000 2.770 712 T HA 0.112 4.459 4.350 -0.005 0.000 0.258 712 T C 0.346 174.649 174.700 -0.662 0.000 1.039 712 T CA 1.357 63.112 62.100 -0.576 0.000 1.143 712 T CB -0.418 67.925 68.868 -0.875 0.000 0.866 712 T HN 0.558 nan 8.240 nan 0.000 0.428 713 Y N -0.329 119.827 120.300 -0.240 0.000 2.598 713 Y HA 0.471 5.018 4.550 -0.005 0.000 0.340 713 Y C 0.654 176.107 175.900 -0.746 0.000 1.038 713 Y CA -1.366 56.373 58.100 -0.602 0.000 1.100 713 Y CB 1.054 38.956 38.460 -0.930 0.000 1.281 713 Y HN 0.162 nan 8.280 nan 0.000 0.488 714 H N -1.611 117.032 119.070 -0.712 0.000 3.047 714 H HA -0.183 4.370 4.556 -0.005 0.000 0.263 714 H C -1.065 174.165 175.328 -0.165 0.000 1.168 714 H CA 0.447 56.152 56.048 -0.573 0.000 1.152 714 H CB -2.048 27.481 29.762 -0.388 0.000 1.278 714 H HN 0.530 nan 8.280 nan 0.000 0.339 715 c N 1.682 120.312 118.600 0.050 0.000 2.534 715 c HA 0.762 5.329 4.570 -0.005 0.000 0.309 715 c C 0.497 174.698 174.090 0.184 0.000 1.072 715 c CA -0.709 55.682 56.329 0.103 0.000 1.441 715 c CB 0.802 43.338 42.510 0.044 0.000 1.906 715 c HN 0.559 nan 8.230 nan 0.000 0.429 716 I N 1.896 122.597 120.570 0.218 0.000 2.038 716 I HA 0.031 4.198 4.170 -0.005 0.000 0.318 716 I C -0.937 175.294 176.117 0.191 0.000 2.633 716 I CA -0.307 61.107 61.300 0.189 0.000 0.989 716 I CB 0.556 38.672 38.000 0.193 0.000 2.061 716 I HN 0.663 nan 8.210 nan 0.000 0.649 717 K N 5.627 126.081 120.400 0.090 0.000 2.437 717 K HA -0.058 4.259 4.320 -0.005 0.000 0.277 717 K C 0.034 176.653 176.600 0.031 0.000 1.073 717 K CA 0.304 56.623 56.287 0.052 0.000 1.105 717 K CB 0.190 32.696 32.500 0.010 0.000 0.881 717 K HN 0.442 nan 8.250 nan 0.000 0.475 718 D N 3.271 123.707 120.400 0.060 0.000 2.586 718 D HA -0.120 4.517 4.640 -0.005 0.000 0.234 718 D C 0.354 176.598 176.300 -0.093 0.000 1.132 718 D CA 0.305 54.305 54.000 0.000 0.000 0.860 718 D CB 0.502 41.319 40.800 0.030 0.000 1.159 718 D HN 0.695 nan 8.370 nan 0.000 0.490 719 N N 2.090 120.695 118.700 -0.159 0.000 2.398 719 N HA -0.016 4.721 4.740 -0.005 0.000 0.188 719 N C -0.509 174.930 175.510 -0.118 0.000 1.122 719 N CA -0.219 52.750 53.050 -0.136 0.000 0.866 719 N CB 0.011 38.404 38.487 -0.156 0.000 0.970 719 N HN 0.124 nan 8.380 nan 0.000 0.462 720 c N 0.947 119.467 118.600 -0.132 0.000 3.287 720 c HA 0.376 4.943 4.570 -0.005 0.000 0.260 720 c C -1.707 172.276 174.090 -0.178 0.000 1.133 720 c CA -1.033 55.221 56.329 -0.124 0.000 1.402 720 c CB 1.285 43.734 42.510 -0.100 0.000 1.832 720 c HN 0.170 nan 8.230 nan 0.000 0.509 721 P HA -0.138 nan 4.420 nan 0.000 0.218 721 P C 0.926 177.939 177.300 -0.478 0.000 1.148 721 P CA 1.622 64.470 63.100 -0.420 0.000 0.822 721 P CB 0.030 31.348 31.700 -0.637 0.000 0.784 722 H N -2.491 116.534 119.070 -0.074 0.000 2.652 722 H HA 0.355 4.908 4.556 -0.005 0.000 0.274 722 H C 0.242 175.458 175.328 -0.188 0.000 1.021 722 H CA -0.272 55.725 56.048 -0.085 0.000 1.187 722 H CB 0.446 30.182 29.762 -0.043 0.000 1.505 722 H HN 0.118 nan 8.280 nan 0.000 0.530 723 L N 2.487 123.600 121.223 -0.184 0.000 2.372 723 L HA 0.420 4.757 4.340 -0.005 0.000 0.274 723 L C -2.757 173.897 176.870 -0.361 0.000 0.988 723 L CA -1.958 52.645 54.840 -0.395 0.000 0.833 723 L CB 1.956 43.873 42.059 -0.238 0.000 1.236 723 L HN -0.262 nan 8.230 nan 0.000 0.410 724 P HA 0.091 nan 4.420 nan 0.000 0.258 724 P C -1.158 176.129 177.300 -0.023 0.000 1.172 724 P CA 0.471 63.446 63.100 -0.209 0.000 0.762 724 P CB 0.173 31.750 31.700 -0.205 0.000 0.764 725 N N 0.962 119.665 118.700 0.006 0.000 2.732 725 N HA -0.009 4.728 4.740 -0.005 0.000 0.230 725 N C 0.072 175.548 175.510 -0.057 0.000 1.487 725 N CA -0.422 52.635 53.050 0.011 0.000 0.765 725 N CB -0.341 38.130 38.487 -0.028 0.000 1.384 725 N HN 0.139 nan 8.380 nan 0.000 0.530 726 S N -1.396 114.323 115.700 0.030 0.000 2.507 726 S HA 0.011 4.478 4.470 -0.005 0.000 0.235 726 S C 1.618 175.839 174.600 -0.631 0.000 0.988 726 S CA 0.965 59.173 58.200 0.014 0.000 0.944 726 S CB -0.244 63.101 63.200 0.242 0.000 0.762 726 S HN 0.500 nan 8.310 nan 0.000 0.526 727 G N -0.008 108.517 108.800 -0.458 0.000 2.744 727 G HA2 0.115 4.072 3.960 -0.005 0.000 0.211 727 G HA3 0.115 4.072 3.960 -0.005 0.000 0.211 727 G C 0.519 175.219 174.900 -0.332 0.000 1.146 727 G CA -0.023 44.847 45.100 -0.384 0.000 0.787 727 G HN 0.343 nan 8.290 nan 0.000 0.534 728 Q N -0.299 119.260 119.800 -0.400 0.000 2.468 728 Q HA -0.183 4.154 4.340 -0.005 0.000 0.256 728 Q C -0.295 175.553 176.000 -0.253 0.000 0.984 728 Q CA 1.091 56.612 55.803 -0.469 0.000 1.110 728 Q CB -1.766 26.423 28.738 -0.916 0.000 1.527 728 Q HN 0.662 nan 8.270 nan 0.000 0.535 729 E N 1.375 121.497 120.200 -0.129 0.000 2.765 729 E HA 0.085 4.432 4.350 -0.005 0.000 0.256 729 E C 0.090 176.675 176.600 -0.026 0.000 0.935 729 E CA 0.787 57.166 56.400 -0.035 0.000 0.954 729 E CB 0.257 29.970 29.700 0.021 0.000 0.908 729 E HN 0.113 nan 8.360 nan 0.000 0.500 730 D N 3.306 123.707 120.400 0.001 0.000 2.330 730 D HA 0.082 4.719 4.640 -0.005 0.000 0.249 730 D C -0.440 175.898 176.300 0.063 0.000 1.306 730 D CA -0.519 53.490 54.000 0.016 0.000 0.956 730 D CB -0.149 40.623 40.800 -0.047 0.000 1.261 730 D HN 0.271 nan 8.370 nan 0.000 0.544 731 F N 2.699 122.640 119.950 -0.014 0.000 2.075 731 F HA -0.119 4.407 4.527 -0.003 0.000 0.297 731 F C 1.702 177.507 175.800 0.007 0.000 1.113 731 F CA 2.085 60.086 58.000 0.001 0.000 1.218 731 F CB 0.233 39.241 39.000 0.014 0.000 0.984 731 F HN 0.341 nan 8.300 nan 0.000 0.472 732 D N -1.207 119.214 120.400 0.035 0.000 2.355 732 D HA -0.090 4.547 4.640 -0.005 0.000 0.218 732 D C 0.563 176.813 176.300 -0.082 0.000 1.004 732 D CA 0.436 54.406 54.000 -0.049 0.000 0.880 732 D CB -0.390 40.469 40.800 0.099 0.000 0.911 732 D HN 0.151 nan 8.370 nan 0.000 0.528 733 K N 0.317 120.674 120.400 -0.071 0.000 3.230 733 K HA -0.153 4.164 4.320 -0.005 0.000 0.285 733 K C -0.200 176.374 176.600 -0.044 0.000 1.196 733 K CA 1.125 57.369 56.287 -0.070 0.000 0.838 733 K CB -2.151 30.289 32.500 -0.099 0.000 1.262 733 K HN 0.627 nan 8.250 nan 0.000 0.492 734 D N -0.571 119.815 120.400 -0.022 0.000 2.336 734 D HA 0.222 4.859 4.640 -0.005 0.000 0.228 734 D C 1.166 177.454 176.300 -0.020 0.000 1.120 734 D CA 0.633 54.625 54.000 -0.014 0.000 0.839 734 D CB 0.048 40.851 40.800 0.005 0.000 0.932 734 D HN 0.385 nan 8.370 nan 0.000 0.509 735 G N 0.200 108.981 108.800 -0.033 0.000 2.189 735 G HA2 -0.288 3.669 3.960 -0.005 0.000 0.267 735 G HA3 -0.288 3.669 3.960 -0.005 0.000 0.267 735 G C 0.116 174.989 174.900 -0.045 0.000 0.975 735 G CA 0.335 45.410 45.100 -0.043 0.000 0.644 735 G HN 0.478 nan 8.290 nan 0.000 0.537 736 I N 1.858 122.410 120.570 -0.031 0.000 2.354 736 I HA 0.499 4.666 4.170 -0.005 0.000 0.286 736 I C 1.245 177.346 176.117 -0.027 0.000 1.007 736 I CA -0.550 60.733 61.300 -0.029 0.000 1.167 736 I CB 1.345 39.339 38.000 -0.009 0.000 1.320 736 I HN 0.131 nan 8.210 nan 0.000 0.458 737 G N 3.573 112.342 108.800 -0.051 0.000 2.554 737 G HA2 -0.018 3.939 3.960 -0.005 0.000 0.238 737 G HA3 -0.018 3.939 3.960 -0.005 0.000 0.238 737 G C 0.586 175.479 174.900 -0.011 0.000 1.259 737 G CA -0.288 44.781 45.100 -0.052 0.000 0.843 737 G HN 0.659 nan 8.290 nan 0.000 0.582 738 D N 1.384 121.789 120.400 0.009 0.000 2.172 738 D HA -0.203 4.434 4.640 -0.005 0.000 0.196 738 D C 2.628 178.947 176.300 0.032 0.000 0.999 738 D CA 1.746 55.766 54.000 0.033 0.000 0.856 738 D CB -0.261 40.564 40.800 0.042 0.000 0.934 738 D HN 0.451 nan 8.370 nan 0.000 0.453 739 A N 0.212 123.050 122.820 0.030 0.000 1.969 739 A HA -0.146 4.171 4.320 -0.005 0.000 0.218 739 A C 2.328 179.947 177.584 0.058 0.000 1.169 739 A CA 1.699 53.777 52.037 0.067 0.000 0.635 739 A CB -0.392 18.658 19.000 0.083 0.000 0.810 739 A HN 0.526 nan 8.150 nan 0.000 0.445 740 c N -2.785 115.828 118.600 0.023 0.000 3.580 740 c HA 0.312 4.879 4.570 -0.005 0.000 0.337 740 c C 0.536 174.636 174.090 0.017 0.000 1.412 740 c CA -0.692 55.647 56.329 0.017 0.000 1.797 740 c CB -0.810 41.699 42.510 -0.003 0.000 2.470 740 c HN 0.454 nan 8.230 nan 0.000 0.691 741 D N 2.094 122.504 120.400 0.017 0.000 2.455 741 D HA 0.078 4.715 4.640 -0.005 0.000 0.241 741 D C 0.409 176.723 176.300 0.023 0.000 1.138 741 D CA 0.789 54.801 54.000 0.020 0.000 0.877 741 D CB 0.830 41.647 40.800 0.028 0.000 1.187 741 D HN 0.263 nan 8.370 nan 0.000 0.451 742 D N 1.117 121.528 120.400 0.020 0.000 2.249 742 D HA -0.044 4.593 4.640 -0.005 0.000 0.205 742 D C -0.327 175.981 176.300 0.013 0.000 0.962 742 D CA 0.557 54.567 54.000 0.016 0.000 0.860 742 D CB 0.324 41.131 40.800 0.011 0.000 0.955 742 D HN 0.408 nan 8.370 nan 0.000 0.505 743 D N -0.469 119.943 120.400 0.020 0.000 2.336 743 D HA 0.112 4.749 4.640 -0.005 0.000 0.248 743 D C -0.141 176.186 176.300 0.045 0.000 1.326 743 D CA -0.397 53.615 54.000 0.019 0.000 0.973 743 D CB 0.954 41.762 40.800 0.013 0.000 1.255 743 D HN -0.324 nan 8.370 nan 0.000 0.558 744 D N 1.655 122.081 120.400 0.044 0.000 2.264 744 D HA -0.068 4.569 4.640 -0.005 0.000 0.208 744 D C 0.733 177.144 176.300 0.184 0.000 0.966 744 D CA 0.974 55.024 54.000 0.083 0.000 0.864 744 D CB 0.311 41.130 40.800 0.031 0.000 0.933 744 D HN 0.630 nan 8.370 nan 0.000 0.499 745 D N -1.922 118.580 120.400 0.171 0.000 2.503 745 D HA 0.007 4.644 4.640 -0.005 0.000 0.218 745 D C -0.196 176.264 176.300 0.267 0.000 1.183 745 D CA -0.390 53.799 54.000 0.314 0.000 0.827 745 D CB -0.393 40.571 40.800 0.274 0.000 1.034 745 D HN -0.267 nan 8.370 nan 0.000 0.510 746 N N 1.606 120.403 118.700 0.162 0.000 2.725 746 N HA -0.167 4.570 4.740 -0.005 0.000 0.251 746 N C -0.521 175.091 175.510 0.170 0.000 1.031 746 N CA 1.311 54.452 53.050 0.150 0.000 0.720 746 N CB -1.187 37.397 38.487 0.163 0.000 0.930 746 N HN 0.660 nan 8.380 nan 0.000 0.543 747 D N -2.678 117.702 120.400 -0.034 0.000 2.479 747 D HA 0.363 5.000 4.640 -0.005 0.000 0.218 747 D C 1.391 177.561 176.300 -0.218 0.000 1.177 747 D CA 0.414 54.202 54.000 -0.353 0.000 0.830 747 D CB -0.080 40.157 40.800 -0.939 0.000 1.014 747 D HN 0.337 nan 8.370 nan 0.000 0.503 748 G N -0.160 108.590 108.800 -0.084 0.000 2.304 748 G HA2 -0.294 3.663 3.960 -0.005 0.000 0.252 748 G HA3 -0.294 3.663 3.960 -0.005 0.000 0.252 748 G C 0.249 175.112 174.900 -0.061 0.000 1.014 748 G CA 0.256 45.323 45.100 -0.055 0.000 0.619 748 G HN 0.447 nan 8.290 nan 0.000 0.525 749 V N 2.395 122.255 119.914 -0.091 0.000 2.427 749 V HA 0.491 4.608 4.120 -0.005 0.000 0.268 749 V C 1.199 177.262 176.094 -0.050 0.000 1.046 749 V CA 0.384 62.641 62.300 -0.072 0.000 0.970 749 V CB 0.984 32.753 31.823 -0.090 0.000 1.001 749 V HN 0.333 nan 8.190 nan 0.000 0.476 750 T N 4.205 118.739 114.554 -0.033 0.000 2.934 750 T HA 0.002 4.349 4.350 -0.005 0.000 0.306 750 T C 1.162 175.849 174.700 -0.022 0.000 1.042 750 T CA 0.220 62.308 62.100 -0.020 0.000 1.145 750 T CB 0.364 69.225 68.868 -0.013 0.000 0.982 750 T HN 1.016 nan 8.240 nan 0.000 0.544 751 D N 2.827 123.218 120.400 -0.016 0.000 2.218 751 D HA -0.113 4.524 4.640 -0.005 0.000 0.204 751 D C 1.577 177.867 176.300 -0.017 0.000 0.976 751 D CA 0.972 54.960 54.000 -0.020 0.000 0.853 751 D CB -0.054 40.736 40.800 -0.017 0.000 0.939 751 D HN 0.617 nan 8.370 nan 0.000 0.481 752 E N 0.533 120.728 120.200 -0.009 0.000 2.153 752 E HA -0.144 4.203 4.350 -0.005 0.000 0.194 752 E C 1.691 178.284 176.600 -0.012 0.000 0.988 752 E CA 0.965 57.361 56.400 -0.006 0.000 0.811 752 E CB -0.052 29.649 29.700 0.001 0.000 0.746 752 E HN 0.472 nan 8.360 nan 0.000 0.466 753 K N 0.429 120.819 120.400 -0.017 0.000 2.323 753 K HA 0.005 4.322 4.320 -0.005 0.000 0.197 753 K C 0.662 177.244 176.600 -0.029 0.000 1.043 753 K CA -0.063 56.211 56.287 -0.021 0.000 0.997 753 K CB 0.293 32.781 32.500 -0.021 0.000 0.807 753 K HN -0.078 nan 8.250 nan 0.000 0.497 754 D N 2.205 122.583 120.400 -0.036 0.000 2.382 754 D HA -0.048 4.589 4.640 -0.005 0.000 0.259 754 D C 0.256 176.528 176.300 -0.047 0.000 1.224 754 D CA 0.066 54.037 54.000 -0.049 0.000 0.894 754 D CB 0.576 41.341 40.800 -0.057 0.000 1.127 754 D HN 0.147 nan 8.370 nan 0.000 0.487 755 N N 2.288 120.961 118.700 -0.046 0.000 2.449 755 N HA -0.048 4.689 4.740 -0.005 0.000 0.191 755 N C -0.411 175.069 175.510 -0.051 0.000 1.161 755 N CA -0.199 52.826 53.050 -0.042 0.000 0.863 755 N CB -0.147 38.320 38.487 -0.033 0.000 0.980 755 N HN 0.090 nan 8.380 nan 0.000 0.458 756 c N 0.860 119.423 118.600 -0.062 0.000 3.452 756 c HA 0.306 4.873 4.570 -0.005 0.000 0.251 756 c C 1.265 175.295 174.090 -0.100 0.000 1.160 756 c CA -0.683 55.602 56.329 -0.074 0.000 1.328 756 c CB -0.197 42.278 42.510 -0.059 0.000 1.819 756 c HN 0.386 nan 8.230 nan 0.000 0.543 757 Q N 0.545 120.279 119.800 -0.110 0.000 2.170 757 Q HA 0.020 4.357 4.340 -0.005 0.000 0.203 757 Q C 0.901 176.780 176.000 -0.202 0.000 0.976 757 Q CA 1.175 56.906 55.803 -0.119 0.000 0.858 757 Q CB 0.211 28.894 28.738 -0.092 0.000 0.907 757 Q HN 0.731 nan 8.270 nan 0.000 0.433 758 L N 0.565 121.586 121.223 -0.337 0.000 3.062 758 L HA 0.374 4.711 4.340 -0.005 0.000 0.255 758 L C -0.740 175.646 176.870 -0.806 0.000 1.274 758 L CA -0.241 54.120 54.840 -0.799 0.000 1.047 758 L CB 0.579 42.124 42.059 -0.857 0.000 1.402 758 L HN 0.054 nan 8.230 nan 0.000 0.550 759 L N -0.556 120.512 121.223 -0.258 0.000 2.526 759 L HA 0.385 4.722 4.340 -0.005 0.000 0.263 759 L C -0.853 176.095 176.870 0.129 0.000 0.943 759 L CA -0.406 54.450 54.840 0.027 0.000 0.859 759 L CB 2.788 44.856 42.059 0.016 0.000 1.313 759 L HN -0.094 nan 8.230 nan 0.000 0.406 760 F N 6.031 126.046 119.950 0.109 0.000 2.502 760 F HA 0.223 4.749 4.527 -0.002 0.000 0.361 760 F C 0.211 176.036 175.800 0.042 0.000 1.157 760 F CA 0.140 58.188 58.000 0.079 0.000 1.096 760 F CB 0.103 39.158 39.000 0.091 0.000 1.141 760 F HN 0.542 nan 8.300 nan 0.000 0.579 761 N N 7.257 125.851 118.700 -0.177 0.000 2.685 761 N HA 0.239 4.976 4.740 -0.005 0.000 0.252 761 N C -2.842 172.539 175.510 -0.214 0.000 1.261 761 N CA -1.790 51.190 53.050 -0.116 0.000 0.768 761 N CB 1.278 39.754 38.487 -0.019 0.000 1.304 761 N HN 0.196 nan 8.380 nan 0.000 0.536 762 P HA 0.062 nan 4.420 nan 0.000 0.222 762 P C 1.262 178.499 177.300 -0.105 0.000 1.153 762 P CA 0.679 63.637 63.100 -0.237 0.000 0.798 762 P CB 0.534 32.095 31.700 -0.231 0.000 0.796 763 R N -0.519 119.947 120.500 -0.057 0.000 2.115 763 R HA 0.009 4.346 4.340 -0.005 0.000 0.226 763 R C 0.453 176.737 176.300 -0.026 0.000 1.100 763 R CA 0.713 56.799 56.100 -0.023 0.000 0.980 763 R CB -0.271 30.031 30.300 0.004 0.000 0.875 763 R HN 0.118 nan 8.270 nan 0.000 0.445 764 Q N -2.239 117.540 119.800 -0.036 0.000 2.493 764 Q HA -0.130 4.207 4.340 -0.005 0.000 0.260 764 Q C -0.689 175.303 176.000 -0.013 0.000 0.873 764 Q CA 0.886 56.670 55.803 -0.032 0.000 1.150 764 Q CB -2.179 26.538 28.738 -0.035 0.000 1.393 764 Q HN 0.408 nan 8.270 nan 0.000 0.607 765 A N 1.502 124.322 122.820 0.000 0.000 2.561 765 A HA 0.202 4.519 4.320 -0.005 0.000 0.251 765 A C 0.261 177.858 177.584 0.022 0.000 1.062 765 A CA 0.941 52.989 52.037 0.019 0.000 0.761 765 A CB 0.079 19.099 19.000 0.032 0.000 0.986 765 A HN 0.206 nan 8.150 nan 0.000 0.510 766 D N 2.043 122.462 120.400 0.031 0.000 2.363 766 D HA 0.252 4.889 4.640 -0.005 0.000 0.258 766 D C 0.382 176.722 176.300 0.067 0.000 1.259 766 D CA -0.455 53.567 54.000 0.036 0.000 0.921 766 D CB -0.068 40.739 40.800 0.011 0.000 1.201 766 D HN 0.486 nan 8.370 nan 0.000 0.524 767 Y N 2.937 123.226 120.300 -0.019 0.000 2.006 767 Y HA -0.213 4.334 4.550 -0.005 0.000 0.266 767 Y C 0.475 176.397 175.900 0.037 0.000 1.133 767 Y CA 1.879 59.986 58.100 0.013 0.000 1.098 767 Y CB -0.107 38.357 38.460 0.006 0.000 0.969 767 Y HN 0.375 nan 8.280 nan 0.000 0.482 768 D N 0.258 120.800 120.400 0.237 0.000 2.341 768 D HA 0.091 4.728 4.640 -0.005 0.000 0.245 768 D C -0.401 175.947 176.300 0.079 0.000 1.106 768 D CA -0.223 53.858 54.000 0.135 0.000 0.905 768 D CB 0.642 41.571 40.800 0.215 0.000 1.202 768 D HN 0.262 nan 8.370 nan 0.000 0.426 769 K N 0.674 121.116 120.400 0.070 0.000 2.665 769 K HA -0.016 4.301 4.320 -0.005 0.000 0.214 769 K C 0.221 176.880 176.600 0.099 0.000 1.032 769 K CA 0.004 56.324 56.287 0.056 0.000 1.198 769 K CB -0.072 32.446 32.500 0.030 0.000 0.941 769 K HN 0.506 nan 8.250 nan 0.000 0.491 770 D N 0.978 121.441 120.400 0.104 0.000 2.371 770 D HA -0.140 4.497 4.640 -0.005 0.000 0.234 770 D C -0.086 176.198 176.300 -0.026 0.000 1.049 770 D CA 0.327 54.341 54.000 0.023 0.000 0.907 770 D CB -0.112 40.563 40.800 -0.208 0.000 0.891 770 D HN 0.259 nan 8.370 nan 0.000 0.531 771 E N -1.910 118.290 120.200 0.001 0.000 3.170 771 E HA -0.158 4.189 4.350 -0.005 0.000 0.284 771 E C -0.847 175.737 176.600 -0.027 0.000 0.967 771 E CA 0.503 56.898 56.400 -0.010 0.000 0.919 771 E CB -1.232 28.466 29.700 -0.003 0.000 1.469 771 E HN 0.211 nan 8.360 nan 0.000 0.444 772 V N 1.028 120.920 119.914 -0.037 0.000 2.304 772 V HA 0.416 4.533 4.120 -0.005 0.000 0.278 772 V C 1.057 177.129 176.094 -0.037 0.000 1.018 772 V CA -0.050 62.223 62.300 -0.044 0.000 0.814 772 V CB 1.296 33.084 31.823 -0.058 0.000 1.021 772 V HN 0.283 nan 8.190 nan 0.000 0.440 773 G N 2.762 111.542 108.800 -0.033 0.000 2.720 773 G HA2 0.076 4.033 3.960 -0.005 0.000 0.237 773 G HA3 0.076 4.033 3.960 -0.005 0.000 0.237 773 G C 0.608 175.490 174.900 -0.031 0.000 1.239 773 G CA -0.143 44.942 45.100 -0.026 0.000 0.847 773 G HN 0.667 nan 8.290 nan 0.000 0.593 774 D N 0.017 120.403 120.400 -0.024 0.000 2.092 774 D HA -0.096 4.541 4.640 -0.005 0.000 0.193 774 D C 2.398 178.668 176.300 -0.049 0.000 0.994 774 D CA 0.996 54.969 54.000 -0.046 0.000 0.828 774 D CB -0.031 40.750 40.800 -0.031 0.000 0.963 774 D HN 0.409 nan 8.370 nan 0.000 0.450 775 R N -0.250 120.238 120.500 -0.021 0.000 2.323 775 R HA 0.000 4.337 4.340 -0.005 0.000 0.198 775 R C 1.389 177.685 176.300 -0.008 0.000 0.988 775 R CA 0.571 56.668 56.100 -0.005 0.000 1.041 775 R CB -0.042 30.276 30.300 0.030 0.000 0.926 775 R HN 0.383 nan 8.270 nan 0.000 0.476 776 c N -2.607 115.977 118.600 -0.026 0.000 3.642 776 c HA 0.256 4.823 4.570 -0.005 0.000 0.305 776 c C 0.317 174.382 174.090 -0.042 0.000 1.492 776 c CA -0.936 55.373 56.329 -0.033 0.000 1.809 776 c CB -0.119 42.362 42.510 -0.048 0.000 2.639 776 c HN 0.036 nan 8.230 nan 0.000 0.672 777 D N 3.319 123.688 120.400 -0.052 0.000 2.339 777 D HA 0.090 4.727 4.640 -0.005 0.000 0.256 777 D C 0.879 177.142 176.300 -0.062 0.000 1.214 777 D CA 0.412 54.375 54.000 -0.061 0.000 0.877 777 D CB 0.805 41.559 40.800 -0.077 0.000 1.111 777 D HN 0.648 nan 8.370 nan 0.000 0.478 778 N N 2.154 120.827 118.700 -0.046 0.000 2.494 778 N HA -0.075 4.662 4.740 -0.005 0.000 0.182 778 N C -0.041 175.448 175.510 -0.036 0.000 1.076 778 N CA 0.100 53.130 53.050 -0.034 0.000 0.908 778 N CB -0.016 38.459 38.487 -0.020 0.000 0.967 778 N HN 0.101 nan 8.380 nan 0.000 0.449 779 c N 1.029 119.602 118.600 -0.046 0.000 3.164 779 c HA 0.387 4.954 4.570 -0.005 0.000 0.250 779 c C -1.641 172.404 174.090 -0.076 0.000 1.151 779 c CA -1.107 55.202 56.329 -0.033 0.000 1.449 779 c CB 1.098 43.608 42.510 -0.001 0.000 1.825 779 c HN 0.179 nan 8.230 nan 0.000 0.478 780 P HA -0.110 nan 4.420 nan 0.000 0.216 780 P C 0.576 177.654 177.300 -0.371 0.000 1.150 780 P CA 1.613 64.481 63.100 -0.386 0.000 0.837 780 P CB 0.054 31.320 31.700 -0.722 0.000 0.786 781 Y N -2.236 118.054 120.300 -0.015 0.000 2.462 781 Y HA 0.181 4.728 4.550 -0.005 0.000 0.261 781 Y C 0.772 176.738 175.900 0.111 0.000 1.146 781 Y CA -0.203 57.908 58.100 0.020 0.000 1.283 781 Y CB 0.004 38.411 38.460 -0.088 0.000 1.090 781 Y HN -0.298 nan 8.280 nan 0.000 0.526 782 V N 0.883 120.908 119.914 0.186 0.000 2.495 782 V HA 0.124 4.241 4.120 -0.005 0.000 0.298 782 V C -0.036 176.142 176.094 0.140 0.000 1.031 782 V CA -1.383 61.016 62.300 0.165 0.000 0.871 782 V CB 1.314 33.211 31.823 0.123 0.000 0.988 782 V HN 0.225 nan 8.190 nan 0.000 0.432 783 H N 6.686 125.800 119.070 0.072 0.000 3.107 783 H HA 0.106 4.660 4.556 -0.005 0.000 0.301 783 H C -0.463 174.888 175.328 0.038 0.000 0.981 783 H CA 0.799 56.878 56.048 0.050 0.000 1.443 783 H CB 0.483 30.272 29.762 0.044 0.000 1.479 783 H HN 0.888 nan 8.280 nan 0.000 0.564 784 N N 5.071 123.522 118.700 -0.415 0.000 3.354 784 N HA 0.065 4.802 4.740 -0.005 0.000 0.196 784 N C -3.000 172.365 175.510 -0.241 0.000 1.486 784 N CA -1.257 51.625 53.050 -0.280 0.000 0.768 784 N CB 0.700 39.141 38.487 -0.077 0.000 1.625 784 N HN 0.282 nan 8.380 nan 0.000 0.636 785 P HA 0.100 nan 4.420 nan 0.000 0.233 785 P C 1.088 178.340 177.300 -0.080 0.000 1.167 785 P CA 0.818 63.818 63.100 -0.166 0.000 0.770 785 P CB 0.329 31.946 31.700 -0.138 0.000 0.837 786 A N -0.802 121.984 122.820 -0.058 0.000 2.178 786 A HA -0.027 4.290 4.320 -0.005 0.000 0.211 786 A C 0.912 178.489 177.584 -0.012 0.000 1.157 786 A CA 0.222 52.249 52.037 -0.016 0.000 0.780 786 A CB -0.681 18.324 19.000 0.008 0.000 0.828 786 A HN 0.000 nan 8.150 nan 0.000 0.476 787 Q N -1.010 118.774 119.800 -0.028 0.000 2.411 787 Q HA -0.210 4.127 4.340 -0.005 0.000 0.305 787 Q C -0.616 175.385 176.000 0.003 0.000 1.273 787 Q CA 0.801 56.593 55.803 -0.019 0.000 0.895 787 Q CB -1.899 26.825 28.738 -0.024 0.000 1.198 787 Q HN 0.723 nan 8.270 nan 0.000 0.470 788 I N 1.002 121.582 120.570 0.016 0.000 2.533 788 I HA 0.017 4.184 4.170 -0.005 0.000 0.284 788 I C 0.688 176.826 176.117 0.035 0.000 1.109 788 I CA 0.408 61.729 61.300 0.036 0.000 1.412 788 I CB 0.506 38.543 38.000 0.062 0.000 1.396 788 I HN -0.041 nan 8.210 nan 0.000 0.543 789 D N 4.465 124.886 120.400 0.035 0.000 2.378 789 D HA 0.192 4.829 4.640 -0.005 0.000 0.265 789 D C 0.850 177.175 176.300 0.040 0.000 1.229 789 D CA -0.319 53.699 54.000 0.029 0.000 0.914 789 D CB 0.997 41.807 40.800 0.017 0.000 1.140 789 D HN 0.472 nan 8.370 nan 0.000 0.516 790 T N 1.155 115.744 114.554 0.059 0.000 2.665 790 T HA -0.187 4.160 4.350 -0.005 0.000 0.268 790 T C 0.916 175.649 174.700 0.054 0.000 1.035 790 T CA 1.801 63.952 62.100 0.084 0.000 1.151 790 T CB -0.065 68.875 68.868 0.121 0.000 0.862 790 T HN 0.548 nan 8.240 nan 0.000 0.438 791 D N 0.852 121.275 120.400 0.038 0.000 2.427 791 D HA 0.034 4.671 4.640 -0.005 0.000 0.224 791 D C -0.121 176.190 176.300 0.018 0.000 1.157 791 D CA -0.322 53.697 54.000 0.031 0.000 0.828 791 D CB -1.051 39.774 40.800 0.042 0.000 0.974 791 D HN 0.203 nan 8.370 nan 0.000 0.498 792 N N 1.765 120.476 118.700 0.019 0.000 2.702 792 N HA -0.246 4.491 4.740 -0.005 0.000 0.261 792 N C 0.263 175.781 175.510 0.013 0.000 0.965 792 N CA 0.913 53.972 53.050 0.016 0.000 0.795 792 N CB -1.367 37.129 38.487 0.016 0.000 0.909 792 N HN 0.605 nan 8.380 nan 0.000 0.546 793 N N -1.030 117.676 118.700 0.011 0.000 2.254 793 N HA 0.087 4.824 4.740 -0.005 0.000 0.190 793 N C 1.265 176.779 175.510 0.007 0.000 1.107 793 N CA 1.095 54.150 53.050 0.009 0.000 0.869 793 N CB 0.384 38.876 38.487 0.009 0.000 0.983 793 N HN 0.465 nan 8.380 nan 0.000 0.487 794 G N 0.212 109.016 108.800 0.006 0.000 2.218 794 G HA2 -0.252 3.705 3.960 -0.005 0.000 0.216 794 G HA3 -0.252 3.705 3.960 -0.005 0.000 0.216 794 G C -0.356 174.542 174.900 -0.003 0.000 0.994 794 G CA 0.155 45.258 45.100 0.004 0.000 0.637 794 G HN 0.611 nan 8.290 nan 0.000 0.505 795 E N 0.849 121.046 120.200 -0.004 0.000 2.129 795 E HA 0.560 4.907 4.350 -0.005 0.000 0.268 795 E C 0.879 177.473 176.600 -0.010 0.000 0.900 795 E CA -0.195 56.199 56.400 -0.009 0.000 0.755 795 E CB 0.556 30.249 29.700 -0.012 0.000 1.117 795 E HN 0.446 nan 8.360 nan 0.000 0.410 796 G N 3.576 112.370 108.800 -0.010 0.000 2.594 796 G HA2 -0.066 3.891 3.960 -0.005 0.000 0.243 796 G HA3 -0.066 3.891 3.960 -0.005 0.000 0.243 796 G C 0.349 175.244 174.900 -0.008 0.000 1.229 796 G CA -0.333 44.764 45.100 -0.006 0.000 0.843 796 G HN 0.680 nan 8.290 nan 0.000 0.578 797 D N 0.964 121.364 120.400 -0.000 0.000 2.133 797 D HA -0.173 4.464 4.640 -0.005 0.000 0.195 797 D C 2.704 178.996 176.300 -0.013 0.000 0.997 797 D CA 1.763 55.756 54.000 -0.011 0.000 0.840 797 D CB -0.350 40.460 40.800 0.018 0.000 0.947 797 D HN 0.439 nan 8.370 nan 0.000 0.452 798 A N 0.502 123.326 122.820 0.007 0.000 1.927 798 A HA -0.230 4.087 4.320 -0.005 0.000 0.220 798 A C 2.141 179.733 177.584 0.013 0.000 1.185 798 A CA 1.928 53.976 52.037 0.020 0.000 0.639 798 A CB -0.787 18.233 19.000 0.033 0.000 0.820 798 A HN 0.536 nan 8.150 nan 0.000 0.451 799 c N -1.781 116.822 118.600 0.006 0.000 2.668 799 c HA 0.644 5.211 4.570 -0.005 0.000 0.301 799 c C 0.779 174.850 174.090 -0.031 0.000 1.351 799 c CA -0.350 55.982 56.329 0.005 0.000 1.757 799 c CB -1.812 40.718 42.510 0.034 0.000 2.179 799 c HN 0.396 nan 8.230 nan 0.000 0.586 800 S N 0.577 116.243 115.700 -0.058 0.000 2.454 800 S HA 0.541 5.008 4.470 -0.005 0.000 0.306 800 S C 0.789 175.291 174.600 -0.162 0.000 1.100 800 S CA -0.192 57.944 58.200 -0.107 0.000 1.087 800 S CB 1.499 64.640 63.200 -0.098 0.000 1.019 800 S HN 0.851 nan 8.310 nan 0.000 0.480 801 V N 1.031 120.787 119.914 -0.264 0.000 3.541 801 V HA 0.405 4.522 4.120 -0.005 0.000 0.267 801 V C 0.296 176.091 176.094 -0.498 0.000 1.213 801 V CA 0.644 62.714 62.300 -0.383 0.000 1.149 801 V CB -0.624 30.866 31.823 -0.555 0.000 0.822 801 V HN 0.786 nan 8.190 nan 0.000 0.462 802 D N -0.014 120.150 120.400 -0.393 0.000 2.668 802 D HA 0.266 4.903 4.640 -0.005 0.000 0.247 802 D C 0.873 177.071 176.300 -0.170 0.000 1.268 802 D CA -0.187 53.636 54.000 -0.294 0.000 0.842 802 D CB 0.424 41.014 40.800 -0.349 0.000 1.399 802 D HN 0.329 nan 8.370 nan 0.000 0.530 803 I N -0.643 119.833 120.570 -0.158 0.000 2.454 803 I HA -0.014 4.153 4.170 -0.005 0.000 0.254 803 I C 1.074 177.154 176.117 -0.061 0.000 1.156 803 I CA 1.158 62.388 61.300 -0.118 0.000 1.433 803 I CB 0.086 37.987 38.000 -0.165 0.000 1.082 803 I HN 0.051 nan 8.210 nan 0.000 0.432 804 D N 0.884 121.254 120.400 -0.051 0.000 2.349 804 D HA 0.120 4.757 4.640 -0.005 0.000 0.214 804 D C 1.685 178.044 176.300 0.099 0.000 1.063 804 D CA 0.410 54.430 54.000 0.033 0.000 0.847 804 D CB -0.129 40.699 40.800 0.046 0.000 0.933 804 D HN 0.491 nan 8.370 nan 0.000 0.513 805 G N 2.204 111.031 108.800 0.046 0.000 2.198 805 G HA2 -0.314 3.643 3.960 -0.005 0.000 0.260 805 G HA3 -0.314 3.643 3.960 -0.005 0.000 0.260 805 G C 0.459 175.438 174.900 0.132 0.000 1.025 805 G CA 0.625 45.777 45.100 0.086 0.000 0.769 805 G HN 0.567 nan 8.290 nan 0.000 0.507 806 D N -0.729 119.651 120.400 -0.033 0.000 2.349 806 D HA 0.186 4.823 4.640 -0.005 0.000 0.214 806 D C 0.964 177.142 176.300 -0.205 0.000 1.063 806 D CA 0.442 54.210 54.000 -0.387 0.000 0.847 806 D CB -0.026 40.307 40.800 -0.779 0.000 0.933 806 D HN 0.304 nan 8.370 nan 0.000 0.513 807 D N -1.294 119.095 120.400 -0.018 0.000 2.439 807 D HA -0.145 4.492 4.640 -0.005 0.000 0.172 807 D C -0.573 175.828 176.300 0.168 0.000 1.026 807 D CA 0.675 54.732 54.000 0.094 0.000 1.043 807 D CB -0.729 40.093 40.800 0.038 0.000 1.098 807 D HN 0.181 nan 8.370 nan 0.000 0.467 808 V N 2.615 122.578 119.914 0.082 0.000 2.385 808 V HA 0.301 4.418 4.120 -0.005 0.000 0.269 808 V C 0.814 177.055 176.094 0.246 0.000 1.043 808 V CA -0.198 62.167 62.300 0.108 0.000 0.906 808 V CB 0.428 32.251 31.823 -0.000 0.000 0.995 808 V HN -0.001 nan 8.190 nan 0.000 0.467 809 F N 3.401 123.317 119.950 -0.056 0.000 2.506 809 F HA 0.180 4.704 4.527 -0.005 0.000 0.351 809 F C 1.272 177.037 175.800 -0.058 0.000 1.136 809 F CA -0.735 57.234 58.000 -0.052 0.000 1.298 809 F CB 0.603 39.580 39.000 -0.038 0.000 1.145 809 F HN 0.529 nan 8.300 nan 0.000 0.593 810 N N 3.192 121.922 118.700 0.050 0.000 2.356 810 N HA -0.081 4.656 4.740 -0.005 0.000 0.252 810 N C 0.699 176.232 175.510 0.038 0.000 1.241 810 N CA 0.912 53.955 53.050 -0.012 0.000 0.861 810 N CB 0.527 38.968 38.487 -0.078 0.000 1.075 810 N HN 0.869 nan 8.380 nan 0.000 0.461 811 E N 0.262 120.472 120.200 0.018 0.000 4.207 811 E HA -0.268 4.079 4.350 -0.005 0.000 0.382 811 E C 0.278 176.895 176.600 0.028 0.000 0.552 811 E CA 0.693 57.108 56.400 0.025 0.000 1.616 811 E CB -1.030 28.691 29.700 0.035 0.000 1.908 811 E HN 0.548 nan 8.360 nan 0.000 0.413 812 R N 0.827 121.351 120.500 0.040 0.000 2.175 812 R HA 0.117 4.454 4.340 -0.005 0.000 0.202 812 R C 0.166 176.474 176.300 0.013 0.000 1.018 812 R CA 0.485 56.597 56.100 0.021 0.000 1.029 812 R CB 0.122 30.431 30.300 0.015 0.000 0.959 812 R HN 0.116 nan 8.270 nan 0.000 0.480 813 D N 1.468 121.878 120.400 0.018 0.000 2.382 813 D HA -0.070 4.567 4.640 -0.005 0.000 0.259 813 D C 0.237 176.538 176.300 0.001 0.000 1.224 813 D CA 0.132 54.134 54.000 0.003 0.000 0.894 813 D CB 0.647 41.441 40.800 -0.011 0.000 1.127 813 D HN 0.192 nan 8.370 nan 0.000 0.487 814 N N 2.266 120.967 118.700 0.002 0.000 2.461 814 N HA -0.066 4.671 4.740 -0.005 0.000 0.188 814 N C -0.406 175.117 175.510 0.021 0.000 1.134 814 N CA -0.128 52.926 53.050 0.007 0.000 0.878 814 N CB -0.132 38.353 38.487 -0.003 0.000 0.972 814 N HN 0.101 nan 8.380 nan 0.000 0.456 815 c N 1.358 119.976 118.600 0.030 0.000 3.482 815 c HA 0.342 4.909 4.570 -0.005 0.000 0.208 815 c C -1.558 172.562 174.090 0.050 0.000 1.306 815 c CA -1.013 55.354 56.329 0.064 0.000 1.254 815 c CB 1.135 43.697 42.510 0.087 0.000 1.832 815 c HN 0.213 nan 8.230 nan 0.000 0.554 816 P HA -0.160 nan 4.420 nan 0.000 0.220 816 P C 0.663 177.837 177.300 -0.209 0.000 1.144 816 P CA 1.662 64.688 63.100 -0.122 0.000 0.800 816 P CB 0.175 31.754 31.700 -0.201 0.000 0.772 817 Y N -1.315 118.994 120.300 0.015 0.000 2.497 817 Y HA 0.136 4.683 4.550 -0.005 0.000 0.265 817 Y C 1.218 177.131 175.900 0.022 0.000 1.111 817 Y CA -0.015 58.092 58.100 0.012 0.000 1.288 817 Y CB 0.523 38.984 38.460 0.003 0.000 1.082 817 Y HN -0.322 nan 8.280 nan 0.000 0.536 818 V N 0.201 120.213 119.914 0.163 0.000 2.448 818 V HA 0.107 4.224 4.120 -0.005 0.000 0.295 818 V C -0.850 175.323 176.094 0.132 0.000 1.025 818 V CA -1.482 60.897 62.300 0.131 0.000 0.859 818 V CB 0.990 32.880 31.823 0.111 0.000 0.988 818 V HN 0.076 nan 8.190 nan 0.000 0.431 819 Y N 6.821 127.121 120.300 -0.000 0.000 2.745 819 Y HA 0.118 4.665 4.550 -0.005 0.000 0.335 819 Y C 0.804 176.714 175.900 0.017 0.000 1.212 819 Y CA 0.521 58.619 58.100 -0.004 0.000 1.535 819 Y CB 0.297 38.738 38.460 -0.032 0.000 1.220 819 Y HN 0.846 nan 8.280 nan 0.000 0.531 820 N N 3.019 121.648 118.700 -0.119 0.000 2.785 820 N HA -0.018 4.720 4.740 -0.005 0.000 0.224 820 N C 0.350 175.800 175.510 -0.101 0.000 1.448 820 N CA 0.208 53.282 53.050 0.040 0.000 0.748 820 N CB -0.469 38.189 38.487 0.285 0.000 1.385 820 N HN 0.672 nan 8.380 nan 0.000 0.538 821 T N -2.159 112.239 114.554 -0.260 0.000 2.714 821 T HA -0.346 4.001 4.350 -0.005 0.000 0.268 821 T C 1.188 175.851 174.700 -0.061 0.000 1.036 821 T CA 2.059 64.050 62.100 -0.181 0.000 1.148 821 T CB -0.355 68.427 68.868 -0.144 0.000 0.856 821 T HN 0.490 nan 8.240 nan 0.000 0.462 822 D N 0.533 120.930 120.400 -0.006 0.000 2.224 822 D HA -0.152 4.485 4.640 -0.005 0.000 0.205 822 D C 1.266 177.557 176.300 -0.015 0.000 0.965 822 D CA 0.760 54.764 54.000 0.007 0.000 0.852 822 D CB -0.264 40.563 40.800 0.046 0.000 0.947 822 D HN 0.245 nan 8.370 nan 0.000 0.494 823 Q N -0.697 119.093 119.800 -0.017 0.000 2.452 823 Q HA -0.268 4.069 4.340 -0.005 0.000 0.248 823 Q C -0.254 175.718 176.000 -0.046 0.000 0.874 823 Q CA 0.938 56.723 55.803 -0.029 0.000 1.208 823 Q CB -2.080 26.641 28.738 -0.029 0.000 1.569 823 Q HN 0.711 nan 8.270 nan 0.000 0.579 824 R N 1.221 121.677 120.500 -0.073 0.000 2.537 824 R HA 0.182 4.519 4.340 -0.005 0.000 0.280 824 R C -0.421 175.826 176.300 -0.089 0.000 1.058 824 R CA 0.449 56.499 56.100 -0.082 0.000 1.057 824 R CB 0.575 30.815 30.300 -0.099 0.000 0.973 824 R HN -0.108 nan 8.270 nan 0.000 0.438 825 D N 3.280 123.647 120.400 -0.056 0.000 2.621 825 D HA 0.137 4.774 4.640 -0.005 0.000 0.274 825 D C 0.283 176.569 176.300 -0.023 0.000 1.215 825 D CA -0.365 53.611 54.000 -0.040 0.000 0.810 825 D CB 1.007 41.794 40.800 -0.023 0.000 1.248 825 D HN 0.656 nan 8.370 nan 0.000 0.517 826 T N 0.083 114.619 114.554 -0.030 0.000 2.653 826 T HA -0.236 4.111 4.350 -0.005 0.000 0.268 826 T C 1.159 175.862 174.700 0.006 0.000 1.035 826 T CA 1.994 64.085 62.100 -0.015 0.000 1.154 826 T CB -0.043 68.813 68.868 -0.019 0.000 0.862 826 T HN 0.477 nan 8.240 nan 0.000 0.441 827 D N 0.236 120.646 120.400 0.016 0.000 2.349 827 D HA 0.249 4.886 4.640 -0.005 0.000 0.214 827 D C 1.410 177.767 176.300 0.095 0.000 1.063 827 D CA 0.562 54.593 54.000 0.052 0.000 0.847 827 D CB -0.758 40.078 40.800 0.061 0.000 0.933 827 D HN 0.469 nan 8.370 nan 0.000 0.513 828 G N 1.904 110.740 108.800 0.060 0.000 2.179 828 G HA2 -0.329 3.628 3.960 -0.005 0.000 0.257 828 G HA3 -0.329 3.628 3.960 -0.005 0.000 0.257 828 G C 0.530 175.497 174.900 0.112 0.000 1.010 828 G CA 0.625 45.769 45.100 0.073 0.000 0.736 828 G HN 0.563 nan 8.290 nan 0.000 0.513 829 D N -0.714 119.718 120.400 0.053 0.000 2.340 829 D HA 0.354 4.991 4.640 -0.005 0.000 0.220 829 D C 1.824 178.084 176.300 -0.067 0.000 1.039 829 D CA 0.625 54.571 54.000 -0.090 0.000 0.866 829 D CB -0.541 39.954 40.800 -0.508 0.000 0.913 829 D HN 1.535 nan 8.370 nan 0.000 0.523 830 G N -0.663 108.126 108.800 -0.018 0.000 2.176 830 G HA2 -0.229 3.728 3.960 -0.005 0.000 0.253 830 G HA3 -0.229 3.728 3.960 -0.005 0.000 0.253 830 G C -0.006 174.883 174.900 -0.017 0.000 0.979 830 G CA 0.203 45.297 45.100 -0.010 0.000 0.641 830 G HN 0.395 nan 8.290 nan 0.000 0.530 831 V N 1.517 121.411 119.914 -0.033 0.000 2.334 831 V HA 0.703 4.820 4.120 -0.005 0.000 0.281 831 V C 1.169 177.250 176.094 -0.022 0.000 1.016 831 V CA -0.357 61.931 62.300 -0.021 0.000 0.832 831 V CB 1.084 32.889 31.823 -0.030 0.000 0.999 831 V HN 0.742 nan 8.190 nan 0.000 0.439 832 G N 2.649 111.441 108.800 -0.014 0.000 2.554 832 G HA2 0.165 4.122 3.960 -0.005 0.000 0.238 832 G HA3 0.165 4.122 3.960 -0.005 0.000 0.238 832 G C 0.517 175.385 174.900 -0.054 0.000 1.259 832 G CA -0.215 44.862 45.100 -0.037 0.000 0.843 832 G HN 0.740 nan 8.290 nan 0.000 0.582 833 D N 0.048 120.372 120.400 -0.126 0.000 2.149 833 D HA -0.147 4.490 4.640 -0.005 0.000 0.194 833 D C 2.047 178.301 176.300 -0.077 0.000 1.001 833 D CA 1.354 55.272 54.000 -0.137 0.000 0.849 833 D CB -0.097 40.571 40.800 -0.220 0.000 0.939 833 D HN 0.511 nan 8.370 nan 0.000 0.449 834 H N -0.766 118.308 119.070 0.006 0.000 2.456 834 H HA -0.010 4.543 4.556 -0.005 0.000 0.296 834 H C 1.956 177.286 175.328 0.004 0.000 1.079 834 H CA 1.273 57.325 56.048 0.007 0.000 1.322 834 H CB -0.305 29.469 29.762 0.020 0.000 1.388 834 H HN 0.407 nan 8.280 nan 0.000 0.538 835 c N -0.867 117.799 118.600 0.110 0.000 3.243 835 c HA 0.270 4.838 4.570 -0.005 0.000 0.286 835 c C 0.542 174.655 174.090 0.038 0.000 1.373 835 c CA -0.972 55.399 56.329 0.070 0.000 1.749 835 c CB -0.091 42.467 42.510 0.080 0.000 2.313 835 c HN 0.074 nan 8.230 nan 0.000 0.644 836 D N 3.321 123.735 120.400 0.023 0.000 2.339 836 D HA 0.101 4.738 4.640 -0.005 0.000 0.241 836 D C 0.938 177.245 176.300 0.011 0.000 1.183 836 D CA 0.260 54.263 54.000 0.005 0.000 0.859 836 D CB 0.650 41.442 40.800 -0.014 0.000 1.067 836 D HN 0.588 nan 8.370 nan 0.000 0.484 837 N N 2.301 121.009 118.700 0.013 0.000 2.521 837 N HA -0.086 4.651 4.740 -0.005 0.000 0.188 837 N C -0.208 175.313 175.510 0.017 0.000 1.146 837 N CA -0.033 53.029 53.050 0.021 0.000 0.893 837 N CB -0.195 38.308 38.487 0.026 0.000 0.975 837 N HN 0.115 nan 8.380 nan 0.000 0.451 838 c N 0.927 119.531 118.600 0.007 0.000 3.319 838 c HA 0.342 4.909 4.570 -0.005 0.000 0.200 838 c C -1.684 172.407 174.090 0.002 0.000 1.332 838 c CA -0.991 55.343 56.329 0.007 0.000 1.170 838 c CB 0.894 43.406 42.510 0.003 0.000 1.855 838 c HN 0.219 nan 8.230 nan 0.000 0.593 839 P HA -0.077 nan 4.420 nan 0.000 0.222 839 P C 1.162 178.461 177.300 -0.002 0.000 1.147 839 P CA 1.371 64.467 63.100 -0.006 0.000 0.790 839 P CB 0.242 31.937 31.700 -0.008 0.000 0.780 840 L N -1.711 119.517 121.223 0.007 0.000 2.477 840 L HA 0.139 4.476 4.340 -0.005 0.000 0.220 840 L C 0.619 177.505 176.870 0.027 0.000 1.106 840 L CA 0.253 55.101 54.840 0.014 0.000 0.851 840 L CB 0.251 42.317 42.059 0.013 0.000 0.994 840 L HN -0.249 nan 8.230 nan 0.000 0.462 841 V N -0.676 119.256 119.914 0.030 0.000 2.531 841 V HA 0.220 4.337 4.120 -0.005 0.000 0.301 841 V C 0.064 176.198 176.094 0.067 0.000 1.034 841 V CA -0.884 61.447 62.300 0.052 0.000 0.865 841 V CB 1.777 33.625 31.823 0.041 0.000 0.995 841 V HN 0.136 nan 8.190 nan 0.000 0.424 842 H N 6.669 125.741 119.070 0.004 0.000 3.192 842 H HA 0.018 4.571 4.556 -0.005 0.000 0.295 842 H C -0.136 175.196 175.328 0.007 0.000 0.943 842 H CA 1.140 57.191 56.048 0.004 0.000 1.416 842 H CB 0.469 30.234 29.762 0.004 0.000 1.434 842 H HN 0.872 nan 8.280 nan 0.000 0.565 843 N N 5.130 123.637 118.700 -0.322 0.000 3.029 843 N HA 0.061 4.798 4.740 -0.005 0.000 0.198 843 N C -2.868 172.521 175.510 -0.201 0.000 1.444 843 N CA -1.222 51.716 53.050 -0.187 0.000 0.784 843 N CB 0.548 39.001 38.487 -0.056 0.000 1.539 843 N HN 0.260 nan 8.380 nan 0.000 0.582 844 P HA -0.065 nan 4.420 nan 0.000 0.218 844 P C 0.499 177.759 177.300 -0.066 0.000 1.146 844 P CA 1.157 64.162 63.100 -0.157 0.000 0.813 844 P CB 0.361 31.991 31.700 -0.117 0.000 0.778 845 D N -1.285 119.088 120.400 -0.045 0.000 2.323 845 D HA -0.046 4.591 4.640 -0.005 0.000 0.209 845 D C 0.968 177.263 176.300 -0.007 0.000 0.973 845 D CA 0.503 54.495 54.000 -0.013 0.000 0.874 845 D CB -0.227 40.573 40.800 -0.000 0.000 0.930 845 D HN 0.054 nan 8.370 nan 0.000 0.521 846 Q N 0.117 119.907 119.800 -0.017 0.000 2.439 846 Q HA -0.168 4.169 4.340 -0.005 0.000 0.247 846 Q C -0.062 175.942 176.000 0.005 0.000 0.899 846 Q CA 0.963 56.762 55.803 -0.006 0.000 1.201 846 Q CB -2.925 25.813 28.738 0.000 0.000 1.608 846 Q HN 0.504 nan 8.270 nan 0.000 0.563 847 T N -0.847 113.711 114.554 0.007 0.000 2.905 847 T HA 0.228 4.575 4.350 -0.005 0.000 0.299 847 T C 0.090 174.799 174.700 0.015 0.000 1.024 847 T CA 0.116 62.224 62.100 0.013 0.000 1.151 847 T CB 1.110 69.986 68.868 0.014 0.000 0.987 847 T HN 0.166 nan 8.240 nan 0.000 0.535 848 D N 2.796 123.208 120.400 0.019 0.000 2.346 848 D HA 0.204 4.841 4.640 -0.005 0.000 0.255 848 D C 0.388 176.703 176.300 0.025 0.000 1.276 848 D CA -0.713 53.300 54.000 0.023 0.000 0.941 848 D CB 1.136 41.954 40.800 0.029 0.000 1.199 848 D HN 0.347 nan 8.370 nan 0.000 0.537 849 V N 2.790 122.716 119.914 0.021 0.000 2.871 849 V HA -0.026 4.091 4.120 -0.005 0.000 0.256 849 V C 0.949 177.057 176.094 0.023 0.000 1.082 849 V CA 1.886 64.198 62.300 0.021 0.000 1.105 849 V CB 0.069 31.902 31.823 0.017 0.000 0.713 849 V HN 0.604 nan 8.190 nan 0.000 0.473 850 D N -1.645 118.766 120.400 0.018 0.000 2.462 850 D HA 0.049 4.686 4.640 -0.005 0.000 0.221 850 D C 0.394 176.709 176.300 0.025 0.000 1.173 850 D CA -0.235 53.773 54.000 0.012 0.000 0.831 850 D CB -0.759 40.033 40.800 -0.013 0.000 1.001 850 D HN 0.438 nan 8.370 nan 0.000 0.499 851 N N 1.421 120.151 118.700 0.050 0.000 2.727 851 N HA -0.168 4.569 4.740 -0.005 0.000 0.249 851 N C -0.543 175.043 175.510 0.127 0.000 1.048 851 N CA 1.246 54.350 53.050 0.090 0.000 0.714 851 N CB -1.063 37.499 38.487 0.125 0.000 0.959 851 N HN 0.598 nan 8.380 nan 0.000 0.544 852 D N -0.747 119.694 120.400 0.067 0.000 2.431 852 D HA 0.199 4.836 4.640 -0.005 0.000 0.213 852 D C 1.245 177.583 176.300 0.064 0.000 1.130 852 D CA -0.295 53.742 54.000 0.060 0.000 0.834 852 D CB -0.051 40.737 40.800 -0.020 0.000 0.985 852 D HN 0.401 nan 8.370 nan 0.000 0.504 853 L N -1.593 119.673 121.223 0.071 0.000 4.950 853 L HA -0.161 4.176 4.340 -0.005 0.000 0.413 853 L C -0.682 176.223 176.870 0.058 0.000 1.020 853 L CA 0.273 55.160 54.840 0.079 0.000 1.239 853 L CB -1.764 40.369 42.059 0.124 0.000 2.004 853 L HN 0.012 nan 8.230 nan 0.000 0.658 854 V N 1.040 120.979 119.914 0.042 0.000 2.311 854 V HA 0.610 4.727 4.120 -0.005 0.000 0.275 854 V C 1.291 177.400 176.094 0.024 0.000 1.022 854 V CA -0.019 62.300 62.300 0.032 0.000 0.830 854 V CB 1.081 32.919 31.823 0.026 0.000 1.012 854 V HN 0.234 nan 8.190 nan 0.000 0.452 855 G N 2.859 111.672 108.800 0.022 0.000 2.562 855 G HA2 0.049 4.006 3.960 -0.005 0.000 0.233 855 G HA3 0.049 4.006 3.960 -0.005 0.000 0.233 855 G C 0.618 175.526 174.900 0.014 0.000 1.266 855 G CA -0.220 44.889 45.100 0.016 0.000 0.852 855 G HN 0.744 nan 8.290 nan 0.000 0.581 856 D N 0.223 120.631 120.400 0.013 0.000 2.203 856 D HA -0.129 4.508 4.640 -0.005 0.000 0.199 856 D C 2.475 178.783 176.300 0.014 0.000 0.997 856 D CA 1.246 55.254 54.000 0.012 0.000 0.863 856 D CB 0.166 40.974 40.800 0.013 0.000 0.928 856 D HN 0.522 nan 8.370 nan 0.000 0.458 857 Q N -0.554 119.255 119.800 0.016 0.000 2.137 857 Q HA -0.018 4.319 4.340 -0.005 0.000 0.198 857 Q C 2.319 178.330 176.000 0.019 0.000 0.960 857 Q CA 0.750 56.565 55.803 0.020 0.000 0.847 857 Q CB -0.175 28.578 28.738 0.026 0.000 0.915 857 Q HN 0.417 nan 8.270 nan 0.000 0.448 858 c N 1.053 119.663 118.600 0.017 0.000 2.539 858 c HA 0.103 4.670 4.570 -0.005 0.000 0.268 858 c C 1.056 175.154 174.090 0.013 0.000 1.395 858 c CA -0.799 55.540 56.329 0.016 0.000 1.757 858 c CB -0.640 41.880 42.510 0.018 0.000 1.851 858 c HN 0.276 nan 8.230 nan 0.000 0.545 859 D N 2.431 122.837 120.400 0.011 0.000 2.365 859 D HA 0.077 4.714 4.640 -0.005 0.000 0.237 859 D C 0.444 176.746 176.300 0.004 0.000 1.190 859 D CA 0.315 54.319 54.000 0.007 0.000 0.867 859 D CB 0.366 41.170 40.800 0.006 0.000 1.050 859 D HN 0.573 nan 8.370 nan 0.000 0.491 860 N N 2.226 120.927 118.700 0.002 0.000 2.171 860 N HA -0.026 4.711 4.740 -0.005 0.000 0.212 860 N C 0.217 175.725 175.510 -0.004 0.000 1.184 860 N CA -0.341 52.709 53.050 -0.000 0.000 0.888 860 N CB 0.065 38.553 38.487 0.001 0.000 1.038 860 N HN 0.170 nan 8.380 nan 0.000 0.517 861 N N 0.105 118.801 118.700 -0.007 0.000 2.809 861 N HA -0.212 4.525 4.740 -0.005 0.000 0.244 861 N C -1.107 174.398 175.510 -0.008 0.000 1.018 861 N CA 1.043 54.086 53.050 -0.011 0.000 0.917 861 N CB -1.333 37.147 38.487 -0.013 0.000 1.130 861 N HN 0.663 nan 8.380 nan 0.000 0.591 862 E N 1.146 121.341 120.200 -0.008 0.000 1.985 862 E HA 0.128 4.475 4.350 -0.005 0.000 0.268 862 E C -0.272 176.318 176.600 -0.017 0.000 1.219 862 E CA 0.107 56.500 56.400 -0.012 0.000 0.942 862 E CB 0.190 29.883 29.700 -0.013 0.000 1.045 862 E HN 0.158 nan 8.360 nan 0.000 0.413 863 D N 4.034 124.427 120.400 -0.011 0.000 2.468 863 D HA 0.067 4.704 4.640 -0.005 0.000 0.272 863 D C 0.278 176.576 176.300 -0.003 0.000 1.221 863 D CA -0.396 53.599 54.000 -0.008 0.000 0.860 863 D CB 0.190 40.995 40.800 0.009 0.000 1.190 863 D HN 0.429 nan 8.370 nan 0.000 0.509 864 I N 1.450 122.001 120.570 -0.031 0.000 2.567 864 I HA -0.154 4.013 4.170 -0.005 0.000 0.257 864 I C 0.691 176.818 176.117 0.017 0.000 1.184 864 I CA 1.374 62.665 61.300 -0.014 0.000 1.451 864 I CB 0.381 38.359 38.000 -0.036 0.000 1.089 864 I HN 0.272 nan 8.210 nan 0.000 0.441 865 D N -1.382 119.030 120.400 0.019 0.000 2.395 865 D HA -0.039 4.598 4.640 -0.005 0.000 0.213 865 D C 0.389 176.738 176.300 0.082 0.000 1.110 865 D CA -0.012 54.023 54.000 0.058 0.000 0.835 865 D CB -0.279 40.561 40.800 0.067 0.000 0.965 865 D HN 0.237 nan 8.370 nan 0.000 0.505 866 D N 1.048 121.496 120.400 0.079 0.000 2.983 866 D HA -0.181 4.456 4.640 -0.005 0.000 0.225 866 D C 0.179 176.577 176.300 0.164 0.000 1.174 866 D CA 1.355 55.428 54.000 0.122 0.000 0.831 866 D CB -1.250 39.615 40.800 0.109 0.000 1.104 866 D HN 0.623 nan 8.370 nan 0.000 0.421 867 D N -0.882 119.598 120.400 0.133 0.000 2.339 867 D HA 0.262 4.899 4.640 -0.005 0.000 0.217 867 D C 1.678 178.023 176.300 0.074 0.000 1.050 867 D CA 0.881 54.971 54.000 0.150 0.000 0.856 867 D CB -0.068 40.837 40.800 0.175 0.000 0.922 867 D HN 0.407 nan 8.370 nan 0.000 0.518 868 G N -0.126 108.678 108.800 0.007 0.000 2.176 868 G HA2 -0.235 3.722 3.960 -0.005 0.000 0.253 868 G HA3 -0.235 3.722 3.960 -0.005 0.000 0.253 868 G C -0.182 174.547 174.900 -0.285 0.000 0.979 868 G CA -0.029 44.986 45.100 -0.142 0.000 0.641 868 G HN 0.555 nan 8.290 nan 0.000 0.530 869 H N 1.527 120.605 119.070 0.013 0.000 2.504 869 H HA 0.338 4.891 4.556 -0.005 0.000 0.322 869 H C 0.910 176.232 175.328 -0.010 0.000 1.055 869 H CA -0.095 55.954 56.048 0.003 0.000 1.231 869 H CB 0.874 30.638 29.762 0.003 0.000 1.417 869 H HN 0.716 nan 8.280 nan 0.000 0.472 870 Q N 2.270 122.114 119.800 0.074 0.000 2.524 870 Q HA 0.023 4.360 4.340 -0.005 0.000 0.246 870 Q C 0.598 176.605 176.000 0.010 0.000 1.063 870 Q CA -0.567 55.252 55.803 0.026 0.000 0.945 870 Q CB 0.980 29.724 28.738 0.010 0.000 1.292 870 Q HN 0.449 nan 8.270 nan 0.000 0.518 871 N N 2.124 120.805 118.700 -0.031 0.000 2.049 871 N HA -0.244 4.493 4.740 -0.005 0.000 0.198 871 N C 1.202 176.683 175.510 -0.047 0.000 1.030 871 N CA 2.106 55.110 53.050 -0.077 0.000 0.870 871 N CB -0.785 37.640 38.487 -0.103 0.000 1.045 871 N HN 0.819 nan 8.380 nan 0.000 0.434 872 N N 0.307 118.995 118.700 -0.020 0.000 2.550 872 N HA -0.104 4.633 4.740 -0.005 0.000 0.186 872 N C 0.274 175.786 175.510 0.003 0.000 1.110 872 N CA 0.650 53.696 53.050 -0.007 0.000 0.912 872 N CB -0.229 38.258 38.487 0.001 0.000 0.968 872 N HN 0.400 nan 8.380 nan 0.000 0.448 873 Q N -0.532 119.276 119.800 0.014 0.000 2.129 873 Q HA 0.207 4.544 4.340 -0.005 0.000 0.274 873 Q C -1.292 174.717 176.000 0.016 0.000 0.854 873 Q CA -0.278 55.541 55.803 0.026 0.000 1.123 873 Q CB 0.691 29.463 28.738 0.057 0.000 1.226 873 Q HN 0.159 nan 8.270 nan 0.000 0.454 874 D N 0.313 120.708 120.400 -0.008 0.000 2.593 874 D HA 0.063 4.700 4.640 -0.005 0.000 0.251 874 D C 0.358 176.636 176.300 -0.037 0.000 1.140 874 D CA -0.368 53.615 54.000 -0.027 0.000 0.855 874 D CB 1.108 41.907 40.800 -0.003 0.000 1.267 874 D HN 0.127 nan 8.370 nan 0.000 0.532 875 N N 1.721 120.386 118.700 -0.059 0.000 2.459 875 N HA -0.060 4.677 4.740 -0.005 0.000 0.181 875 N C 0.094 175.605 175.510 0.002 0.000 1.046 875 N CA 0.328 53.359 53.050 -0.031 0.000 0.904 875 N CB -0.090 38.368 38.487 -0.049 0.000 0.964 875 N HN 0.126 nan 8.380 nan 0.000 0.444 876 c N 1.147 119.751 118.600 0.007 0.000 3.003 876 c HA 0.396 4.963 4.570 -0.005 0.000 0.241 876 c C -1.586 172.526 174.090 0.036 0.000 1.224 876 c CA -1.171 55.187 56.329 0.049 0.000 1.560 876 c CB 0.959 43.504 42.510 0.059 0.000 1.768 876 c HN 0.180 nan 8.230 nan 0.000 0.440 877 P HA -0.137 nan 4.420 nan 0.000 0.218 877 P C 0.522 177.640 177.300 -0.304 0.000 1.146 877 P CA 1.729 64.713 63.100 -0.192 0.000 0.813 877 P CB 0.047 31.554 31.700 -0.321 0.000 0.778 878 Y N -2.609 117.714 120.300 0.038 0.000 2.444 878 Y HA 0.299 4.846 4.550 -0.005 0.000 0.252 878 Y C 1.091 177.017 175.900 0.044 0.000 1.091 878 Y CA -0.289 57.834 58.100 0.039 0.000 1.276 878 Y CB 0.401 38.880 38.460 0.032 0.000 1.170 878 Y HN -0.209 nan 8.280 nan 0.000 0.517 879 I N 0.144 120.819 120.570 0.175 0.000 2.378 879 I HA 0.203 4.370 4.170 -0.005 0.000 0.291 879 I C -0.153 176.024 176.117 0.100 0.000 0.992 879 I CA -0.636 60.741 61.300 0.128 0.000 1.154 879 I CB 1.529 39.598 38.000 0.114 0.000 1.315 879 I HN -0.139 nan 8.210 nan 0.000 0.448 880 S N 5.985 121.746 115.700 0.102 0.000 2.575 880 S HA 0.057 4.524 4.470 -0.005 0.000 0.295 880 S C 0.120 174.781 174.600 0.102 0.000 1.267 880 S CA -0.239 58.026 58.200 0.107 0.000 1.074 880 S CB -0.285 62.985 63.200 0.116 0.000 0.829 880 S HN 0.738 nan 8.310 nan 0.000 0.497 881 N N 0.822 119.585 118.700 0.107 0.000 2.751 881 N HA 0.234 4.971 4.740 -0.005 0.000 0.234 881 N C 0.181 175.760 175.510 0.114 0.000 1.403 881 N CA -0.326 52.779 53.050 0.093 0.000 0.747 881 N CB 0.241 38.763 38.487 0.058 0.000 1.326 881 N HN 0.420 nan 8.380 nan 0.000 0.532 882 A N 1.780 124.697 122.820 0.162 0.000 2.032 882 A HA -0.271 4.046 4.320 -0.005 0.000 0.221 882 A C 1.826 179.529 177.584 0.198 0.000 1.165 882 A CA 1.713 53.889 52.037 0.231 0.000 0.645 882 A CB -0.712 18.404 19.000 0.194 0.000 0.807 882 A HN 0.856 nan 8.150 nan 0.000 0.453 883 N N -2.600 116.140 118.700 0.067 0.000 2.446 883 N HA -0.102 4.635 4.740 -0.005 0.000 0.179 883 N C -0.144 175.317 175.510 -0.081 0.000 1.054 883 N CA 0.714 53.749 53.050 -0.024 0.000 0.905 883 N CB -0.087 38.360 38.487 -0.068 0.000 0.973 883 N HN 0.246 nan 8.380 nan 0.000 0.448 884 Q N -0.737 119.004 119.800 -0.098 0.000 2.494 884 Q HA -0.160 4.177 4.340 -0.005 0.000 0.266 884 Q C -0.350 175.574 176.000 -0.127 0.000 1.053 884 Q CA 0.880 56.580 55.803 -0.171 0.000 1.029 884 Q CB -2.262 26.270 28.738 -0.343 0.000 1.423 884 Q HN 0.669 nan 8.270 nan 0.000 0.516 885 A N 1.230 123.999 122.820 -0.085 0.000 2.546 885 A HA 0.261 4.578 4.320 -0.005 0.000 0.243 885 A C 0.438 177.961 177.584 -0.102 0.000 1.063 885 A CA 0.801 52.763 52.037 -0.125 0.000 0.757 885 A CB 0.254 19.242 19.000 -0.020 0.000 0.991 885 A HN 0.210 nan 8.150 nan 0.000 0.503 886 D N 0.956 121.243 120.400 -0.188 0.000 2.714 886 D HA 0.260 4.897 4.640 -0.005 0.000 0.264 886 D C 0.423 176.670 176.300 -0.089 0.000 1.231 886 D CA -0.293 53.657 54.000 -0.084 0.000 0.802 886 D CB -0.377 40.382 40.800 -0.067 0.000 1.319 886 D HN 0.600 nan 8.370 nan 0.000 0.528 887 H N 0.063 119.135 119.070 0.004 0.000 2.421 887 H HA -0.069 4.484 4.556 -0.005 0.000 0.298 887 H C 1.222 176.551 175.328 0.003 0.000 1.087 887 H CA 2.067 58.117 56.048 0.004 0.000 1.330 887 H CB 0.435 30.203 29.762 0.009 0.000 1.388 887 H HN 0.351 nan 8.280 nan 0.000 0.526 888 D N -0.399 120.066 120.400 0.109 0.000 2.340 888 D HA -0.039 4.598 4.640 -0.005 0.000 0.220 888 D C 0.381 176.697 176.300 0.026 0.000 1.039 888 D CA -0.036 54.002 54.000 0.064 0.000 0.866 888 D CB -0.020 40.822 40.800 0.069 0.000 0.913 888 D HN 0.132 nan 8.370 nan 0.000 0.523 889 R N -0.061 120.444 120.500 0.009 0.000 3.770 889 R HA -0.150 4.187 4.340 -0.005 0.000 0.305 889 R C -0.434 175.864 176.300 -0.004 0.000 1.184 889 R CA 1.139 57.233 56.100 -0.011 0.000 0.823 889 R CB -2.209 28.081 30.300 -0.016 0.000 1.285 889 R HN 0.506 nan 8.270 nan 0.000 0.499 890 D N -0.692 119.712 120.400 0.006 0.000 2.328 890 D HA 0.153 4.790 4.640 -0.005 0.000 0.221 890 D C 1.311 177.614 176.300 0.006 0.000 1.072 890 D CA 0.718 54.723 54.000 0.008 0.000 0.850 890 D CB 0.260 41.071 40.800 0.018 0.000 0.922 890 D HN 0.407 nan 8.370 nan 0.000 0.516 891 G N -0.125 108.675 108.800 -0.001 0.000 2.253 891 G HA2 -0.319 3.638 3.960 -0.005 0.000 0.251 891 G HA3 -0.319 3.638 3.960 -0.005 0.000 0.251 891 G C 0.149 175.050 174.900 0.002 0.000 0.998 891 G CA 0.098 45.196 45.100 -0.004 0.000 0.621 891 G HN 0.521 nan 8.290 nan 0.000 0.524 892 Q N 1.087 120.894 119.800 0.012 0.000 2.331 892 Q HA 0.519 4.856 4.340 -0.005 0.000 0.257 892 Q C 0.899 176.911 176.000 0.020 0.000 0.957 892 Q CA 0.044 55.859 55.803 0.020 0.000 0.923 892 Q CB 0.832 29.588 28.738 0.029 0.000 1.212 892 Q HN 0.484 nan 8.270 nan 0.000 0.443 893 G N 3.214 112.023 108.800 0.015 0.000 2.432 893 G HA2 -0.097 3.860 3.960 -0.005 0.000 0.239 893 G HA3 -0.097 3.860 3.960 -0.005 0.000 0.239 893 G C 0.286 175.211 174.900 0.041 0.000 1.291 893 G CA -0.429 44.679 45.100 0.013 0.000 0.863 893 G HN 0.775 nan 8.290 nan 0.000 0.560 894 D N 1.868 122.304 120.400 0.060 0.000 2.242 894 D HA -0.282 4.355 4.640 -0.005 0.000 0.190 894 D C 2.634 178.979 176.300 0.075 0.000 1.012 894 D CA 2.168 56.223 54.000 0.091 0.000 0.875 894 D CB -0.259 40.627 40.800 0.143 0.000 0.922 894 D HN 0.496 nan 8.370 nan 0.000 0.448 895 A N 0.052 122.912 122.820 0.068 0.000 1.972 895 A HA -0.178 4.139 4.320 -0.005 0.000 0.219 895 A C 2.362 179.984 177.584 0.064 0.000 1.169 895 A CA 1.883 53.960 52.037 0.068 0.000 0.635 895 A CB -0.577 18.463 19.000 0.068 0.000 0.810 895 A HN 0.558 nan 8.150 nan 0.000 0.446 896 c N -2.126 116.510 118.600 0.060 0.000 3.070 896 c HA 0.360 4.927 4.570 -0.005 0.000 0.280 896 c C 0.544 174.663 174.090 0.049 0.000 1.264 896 c CA -0.384 55.980 56.329 0.059 0.000 1.690 896 c CB -0.867 41.685 42.510 0.071 0.000 2.049 896 c HN 0.510 nan 8.230 nan 0.000 0.636 897 D N 2.790 123.219 120.400 0.048 0.000 2.249 897 D HA 0.309 4.946 4.640 -0.005 0.000 0.246 897 D C -1.765 174.559 176.300 0.039 0.000 1.114 897 D CA -2.057 51.968 54.000 0.042 0.000 0.854 897 D CB 1.755 42.581 40.800 0.044 0.000 1.132 897 D HN 0.154 nan 8.370 nan 0.000 0.461 898 P HA 0.167 nan 4.420 nan 0.000 0.257 898 P C -0.578 176.733 177.300 0.019 0.000 1.281 898 P CA 0.150 63.265 63.100 0.025 0.000 0.826 898 P CB 0.438 32.150 31.700 0.019 0.000 1.237 899 D N 0.070 120.485 120.400 0.023 0.000 2.411 899 D HA 0.083 4.720 4.640 -0.005 0.000 0.239 899 D C 0.118 176.437 176.300 0.031 0.000 1.307 899 D CA -0.162 53.849 54.000 0.017 0.000 0.930 899 D CB 0.247 41.056 40.800 0.015 0.000 1.395 899 D HN -0.343 nan 8.370 nan 0.000 0.536 900 D N 0.771 121.190 120.400 0.031 0.000 2.312 900 D HA -0.068 4.569 4.640 -0.005 0.000 0.211 900 D C 1.086 177.424 176.300 0.063 0.000 0.964 900 D CA 0.760 54.793 54.000 0.055 0.000 0.877 900 D CB 0.396 41.233 40.800 0.061 0.000 0.924 900 D HN 0.551 nan 8.370 nan 0.000 0.515 901 D N -1.342 119.084 120.400 0.044 0.000 2.398 901 D HA -0.031 4.606 4.640 -0.005 0.000 0.210 901 D C -0.053 176.333 176.300 0.143 0.000 1.094 901 D CA -0.238 53.811 54.000 0.082 0.000 0.839 901 D CB -0.275 40.558 40.800 0.055 0.000 0.963 901 D HN -0.245 nan 8.370 nan 0.000 0.506 902 N N 1.674 120.436 118.700 0.103 0.000 2.738 902 N HA -0.149 4.588 4.740 -0.005 0.000 0.249 902 N C -0.605 175.028 175.510 0.206 0.000 1.047 902 N CA 1.226 54.352 53.050 0.127 0.000 0.707 902 N CB -1.285 37.275 38.487 0.122 0.000 0.937 902 N HN 0.628 nan 8.380 nan 0.000 0.545 903 D N -2.229 118.198 120.400 0.045 0.000 2.462 903 D HA 0.362 4.999 4.640 -0.005 0.000 0.221 903 D C 1.422 177.607 176.300 -0.192 0.000 1.173 903 D CA 0.390 54.255 54.000 -0.224 0.000 0.831 903 D CB -0.102 40.294 40.800 -0.674 0.000 1.001 903 D HN 0.398 nan 8.370 nan 0.000 0.499 904 G N -0.141 108.618 108.800 -0.069 0.000 2.417 904 G HA2 -0.295 3.662 3.960 -0.005 0.000 0.233 904 G HA3 -0.295 3.662 3.960 -0.005 0.000 0.233 904 G C 0.209 175.070 174.900 -0.065 0.000 1.103 904 G CA 0.161 45.227 45.100 -0.056 0.000 0.647 904 G HN 0.402 nan 8.290 nan 0.000 0.512 905 V N 4.980 124.835 119.914 -0.099 0.000 2.405 905 V HA 0.399 4.516 4.120 -0.005 0.000 0.264 905 V C -1.103 174.953 176.094 -0.063 0.000 1.048 905 V CA -1.020 61.229 62.300 -0.085 0.000 0.966 905 V CB 1.044 32.800 31.823 -0.111 0.000 1.015 905 V HN 0.351 nan 8.190 nan 0.000 0.477 906 P HA 0.106 nan 4.420 nan 0.000 0.270 906 P C 0.374 177.659 177.300 -0.024 0.000 1.223 906 P CA -0.197 62.888 63.100 -0.024 0.000 0.785 906 P CB 1.030 32.722 31.700 -0.014 0.000 0.923 907 D N 1.077 121.471 120.400 -0.009 0.000 2.127 907 D HA -0.221 4.416 4.640 -0.005 0.000 0.190 907 D C 1.394 177.692 176.300 -0.004 0.000 1.000 907 D CA 1.950 55.948 54.000 -0.003 0.000 0.839 907 D CB -0.772 40.040 40.800 0.020 0.000 0.955 907 D HN 0.560 nan 8.370 nan 0.000 0.446 908 D N -0.082 120.321 120.400 0.005 0.000 2.311 908 D HA -0.181 4.456 4.640 -0.005 0.000 0.212 908 D C 1.541 177.838 176.300 -0.005 0.000 0.972 908 D CA 0.838 54.843 54.000 0.010 0.000 0.887 908 D CB -0.312 40.498 40.800 0.016 0.000 0.915 908 D HN 0.176 nan 8.370 nan 0.000 0.497 909 R N -0.560 119.926 120.500 -0.023 0.000 2.508 909 R HA 0.108 4.445 4.340 -0.005 0.000 0.300 909 R C -0.508 175.756 176.300 -0.060 0.000 0.970 909 R CA -0.328 55.751 56.100 -0.034 0.000 1.102 909 R CB 0.537 30.819 30.300 -0.031 0.000 1.246 909 R HN -0.061 nan 8.270 nan 0.000 0.539 910 D N 0.372 120.728 120.400 -0.072 0.000 2.329 910 D HA 0.022 4.659 4.640 -0.005 0.000 0.232 910 D C 0.312 176.533 176.300 -0.130 0.000 1.088 910 D CA -0.294 53.646 54.000 -0.101 0.000 0.835 910 D CB 0.899 41.638 40.800 -0.100 0.000 1.078 910 D HN 0.311 nan 8.370 nan 0.000 0.495 911 N N 1.611 120.228 118.700 -0.138 0.000 2.515 911 N HA -0.054 4.683 4.740 -0.005 0.000 0.185 911 N C -0.030 175.384 175.510 -0.161 0.000 1.109 911 N CA -0.153 52.799 53.050 -0.163 0.000 0.903 911 N CB 0.178 38.599 38.487 -0.111 0.000 0.969 911 N HN 0.055 nan 8.380 nan 0.000 0.450 912 c N 1.423 119.902 118.600 -0.202 0.000 3.002 912 c HA 0.339 4.906 4.570 -0.005 0.000 0.248 912 c C 1.562 175.429 174.090 -0.372 0.000 1.153 912 c CA -1.023 55.106 56.329 -0.333 0.000 1.502 912 c CB -0.283 42.071 42.510 -0.260 0.000 1.805 912 c HN 0.458 nan 8.230 nan 0.000 0.450 913 R N 1.049 121.306 120.500 -0.405 0.000 2.117 913 R HA -0.104 4.233 4.340 -0.005 0.000 0.243 913 R C 1.151 177.296 176.300 -0.259 0.000 1.143 913 R CA 1.795 57.753 56.100 -0.237 0.000 0.968 913 R CB 0.081 30.347 30.300 -0.057 0.000 0.863 913 R HN 0.713 nan 8.270 nan 0.000 0.444 914 L N -0.245 120.718 121.223 -0.434 0.000 2.616 914 L HA 0.223 4.560 4.340 -0.005 0.000 0.229 914 L C -0.375 176.373 176.870 -0.203 0.000 1.110 914 L CA -0.314 54.331 54.840 -0.326 0.000 0.884 914 L CB 1.319 43.089 42.059 -0.482 0.000 1.115 914 L HN -0.126 nan 8.230 nan 0.000 0.481 915 V N 0.147 119.931 119.914 -0.216 0.000 2.409 915 V HA 0.216 4.333 4.120 -0.005 0.000 0.291 915 V C -0.271 175.814 176.094 -0.015 0.000 1.020 915 V CA -0.859 61.387 62.300 -0.091 0.000 0.848 915 V CB 1.656 33.407 31.823 -0.120 0.000 0.990 915 V HN 0.008 nan 8.190 nan 0.000 0.430 916 F N 6.893 126.793 119.950 -0.084 0.000 2.593 916 F HA 0.154 4.678 4.527 -0.005 0.000 0.393 916 F C 0.762 176.525 175.800 -0.061 0.000 1.037 916 F CA 0.692 58.655 58.000 -0.062 0.000 1.195 916 F CB 0.235 39.211 39.000 -0.041 0.000 1.034 916 F HN 0.781 nan 8.300 nan 0.000 0.552 917 N N 7.224 125.657 118.700 -0.444 0.000 3.029 917 N HA 0.101 4.838 4.740 -0.005 0.000 0.198 917 N C -2.636 172.647 175.510 -0.378 0.000 1.444 917 N CA -1.344 51.499 53.050 -0.344 0.000 0.784 917 N CB 0.209 38.607 38.487 -0.149 0.000 1.539 917 N HN 0.230 nan 8.380 nan 0.000 0.582 918 P HA -0.116 nan 4.420 nan 0.000 0.220 918 P C -0.023 177.163 177.300 -0.191 0.000 1.144 918 P CA 1.320 64.210 63.100 -0.349 0.000 0.800 918 P CB 0.285 31.779 31.700 -0.344 0.000 0.772 919 D N -1.194 119.113 120.400 -0.154 0.000 2.349 919 D HA 0.011 4.648 4.640 -0.005 0.000 0.214 919 D C 0.330 176.582 176.300 -0.079 0.000 1.063 919 D CA -0.013 53.932 54.000 -0.092 0.000 0.847 919 D CB -0.163 40.601 40.800 -0.060 0.000 0.933 919 D HN -0.074 nan 8.370 nan 0.000 0.513 920 Q N 0.210 119.950 119.800 -0.100 0.000 2.434 920 Q HA -0.231 4.106 4.340 -0.005 0.000 0.299 920 Q C -0.834 175.136 176.000 -0.051 0.000 1.286 920 Q CA 0.723 56.476 55.803 -0.083 0.000 0.872 920 Q CB -2.108 26.583 28.738 -0.078 0.000 1.193 920 Q HN 0.509 nan 8.270 nan 0.000 0.466 921 E N 1.270 121.445 120.200 -0.042 0.000 2.406 921 E HA 0.128 4.475 4.350 -0.005 0.000 0.258 921 E C 0.036 176.632 176.600 -0.007 0.000 1.043 921 E CA 0.298 56.686 56.400 -0.020 0.000 0.929 921 E CB 0.386 30.078 29.700 -0.013 0.000 0.969 921 E HN 0.097 nan 8.360 nan 0.000 0.462 922 D N 3.942 124.345 120.400 0.006 0.000 2.400 922 D HA 0.152 4.789 4.640 -0.005 0.000 0.272 922 D C -0.365 175.955 176.300 0.033 0.000 1.220 922 D CA -0.293 53.722 54.000 0.026 0.000 0.897 922 D CB 0.259 41.081 40.800 0.037 0.000 1.134 922 D HN 0.331 nan 8.370 nan 0.000 0.507 923 L N 1.547 122.788 121.223 0.030 0.000 2.591 923 L HA 0.167 4.504 4.340 -0.005 0.000 0.228 923 L C 1.383 178.276 176.870 0.039 0.000 1.133 923 L CA 0.412 55.270 54.840 0.030 0.000 0.880 923 L CB 0.284 42.357 42.059 0.023 0.000 1.033 923 L HN 0.316 nan 8.230 nan 0.000 0.450 924 D N -1.675 118.754 120.400 0.049 0.000 2.407 924 D HA 0.075 4.712 4.640 -0.005 0.000 0.208 924 D C 1.410 177.755 176.300 0.075 0.000 1.083 924 D CA 0.684 54.719 54.000 0.058 0.000 0.844 924 D CB 0.330 41.165 40.800 0.058 0.000 0.967 924 D HN 0.072 nan 8.370 nan 0.000 0.506 925 G N 2.551 111.400 108.800 0.081 0.000 2.147 925 G HA2 -0.286 3.671 3.960 -0.005 0.000 0.244 925 G HA3 -0.286 3.671 3.960 -0.005 0.000 0.244 925 G C 0.406 175.401 174.900 0.158 0.000 1.005 925 G CA 0.468 45.630 45.100 0.103 0.000 0.713 925 G HN 0.537 nan 8.290 nan 0.000 0.515 926 D N -0.110 120.387 120.400 0.162 0.000 2.319 926 D HA 0.325 4.962 4.640 -0.005 0.000 0.230 926 D C 1.780 178.270 176.300 0.318 0.000 1.094 926 D CA 0.451 54.579 54.000 0.213 0.000 0.856 926 D CB -0.612 40.281 40.800 0.154 0.000 0.915 926 D HN 1.532 nan 8.370 nan 0.000 0.517 927 G N 0.589 109.567 108.800 0.298 0.000 2.184 927 G HA2 -0.326 3.631 3.960 -0.005 0.000 0.264 927 G HA3 -0.326 3.631 3.960 -0.005 0.000 0.264 927 G C 0.330 175.344 174.900 0.190 0.000 0.975 927 G CA 0.158 45.476 45.100 0.362 0.000 0.642 927 G HN 0.534 nan 8.290 nan 0.000 0.536 928 R N 0.668 121.271 120.500 0.173 0.000 2.494 928 R HA 0.529 4.866 4.340 -0.005 0.000 0.305 928 R C 0.848 177.176 176.300 0.046 0.000 0.959 928 R CA -0.008 56.146 56.100 0.089 0.000 0.864 928 R CB 0.980 31.385 30.300 0.176 0.000 1.159 928 R HN 0.323 nan 8.270 nan 0.000 0.446 929 G N 2.109 110.902 108.800 -0.012 0.000 2.353 929 G HA2 -0.094 3.863 3.960 -0.005 0.000 0.239 929 G HA3 -0.094 3.863 3.960 -0.005 0.000 0.239 929 G C 0.319 175.217 174.900 -0.004 0.000 1.295 929 G CA -0.339 44.746 45.100 -0.024 0.000 0.884 929 G HN 0.677 nan 8.290 nan 0.000 0.537 930 D N 1.718 122.120 120.400 0.004 0.000 2.350 930 D HA -0.137 4.500 4.640 -0.005 0.000 0.216 930 D C 2.125 178.428 176.300 0.006 0.000 0.968 930 D CA 0.300 54.309 54.000 0.015 0.000 0.894 930 D CB 0.162 40.972 40.800 0.017 0.000 0.909 930 D HN 0.391 nan 8.370 nan 0.000 0.520 931 I N 0.643 121.206 120.570 -0.011 0.000 2.676 931 I HA -0.141 4.026 4.170 -0.005 0.000 0.259 931 I C 1.307 177.411 176.117 -0.022 0.000 1.194 931 I CA 0.692 61.984 61.300 -0.013 0.000 1.473 931 I CB 0.177 38.168 38.000 -0.015 0.000 1.096 931 I HN 0.101 nan 8.210 nan 0.000 0.443 932 c N -1.043 117.534 118.600 -0.038 0.000 2.422 932 c HA 0.431 4.998 4.570 -0.005 0.000 0.301 932 c C 1.993 176.102 174.090 0.032 0.000 1.444 932 c CA -0.829 55.477 56.329 -0.038 0.000 1.771 932 c CB -1.341 41.072 42.510 -0.161 0.000 2.834 932 c HN 0.414 nan 8.230 nan 0.000 0.545 933 K N 1.490 121.911 120.400 0.035 0.000 2.063 933 K HA -0.131 4.186 4.320 -0.005 0.000 0.208 933 K C 1.287 177.927 176.600 0.066 0.000 1.048 933 K CA 2.283 58.602 56.287 0.054 0.000 0.928 933 K CB -0.043 32.480 32.500 0.038 0.000 0.713 933 K HN 0.555 nan 8.250 nan 0.000 0.442 934 D N -1.045 119.390 120.400 0.058 0.000 2.500 934 D HA 0.041 4.678 4.640 -0.005 0.000 0.217 934 D C -0.621 175.722 176.300 0.071 0.000 1.159 934 D CA 0.195 54.228 54.000 0.056 0.000 0.828 934 D CB 0.759 41.579 40.800 0.034 0.000 1.039 934 D HN 0.187 nan 8.370 nan 0.000 0.512 935 D N 0.023 120.477 120.400 0.090 0.000 2.846 935 D HA 0.022 4.659 4.640 -0.005 0.000 0.279 935 D C 0.719 177.090 176.300 0.119 0.000 1.222 935 D CA -0.585 53.471 54.000 0.093 0.000 0.769 935 D CB -0.416 40.417 40.800 0.055 0.000 1.299 935 D HN -0.237 nan 8.370 nan 0.000 0.537 936 F N 1.739 121.685 119.950 -0.007 0.000 2.063 936 F HA -0.290 4.234 4.527 -0.005 0.000 0.297 936 F C 1.730 177.502 175.800 -0.045 0.000 1.099 936 F CA 2.584 60.570 58.000 -0.023 0.000 1.220 936 F CB 0.302 39.290 39.000 -0.020 0.000 0.972 936 F HN 0.292 nan 8.300 nan 0.000 0.487 937 D N -1.693 118.789 120.400 0.136 0.000 2.339 937 D HA -0.031 4.606 4.640 -0.005 0.000 0.217 937 D C 0.418 176.728 176.300 0.015 0.000 1.050 937 D CA 0.534 54.541 54.000 0.012 0.000 0.856 937 D CB -1.038 39.819 40.800 0.096 0.000 0.922 937 D HN 0.343 nan 8.370 nan 0.000 0.518 938 N N 1.033 119.745 118.700 0.019 0.000 2.725 938 N HA -0.197 4.540 4.740 -0.005 0.000 0.251 938 N C -0.763 174.772 175.510 0.041 0.000 1.031 938 N CA 1.051 54.112 53.050 0.019 0.000 0.720 938 N CB -1.214 37.269 38.487 -0.006 0.000 0.930 938 N HN 0.525 nan 8.380 nan 0.000 0.543 939 D N -1.006 119.427 120.400 0.055 0.000 2.402 939 D HA 0.182 4.819 4.640 -0.005 0.000 0.216 939 D C 0.882 177.206 176.300 0.040 0.000 1.128 939 D CA 0.195 54.226 54.000 0.052 0.000 0.833 939 D CB -0.403 40.438 40.800 0.068 0.000 0.971 939 D HN 0.495 nan 8.370 nan 0.000 0.503 940 N N -0.044 118.678 118.700 0.037 0.000 2.936 940 N HA -0.145 4.592 4.740 -0.005 0.000 0.236 940 N C -0.838 174.692 175.510 0.033 0.000 0.930 940 N CA 0.433 53.501 53.050 0.030 0.000 0.966 940 N CB -0.577 37.923 38.487 0.022 0.000 1.090 940 N HN 0.226 nan 8.380 nan 0.000 0.592 941 I N 2.546 123.141 120.570 0.041 0.000 2.315 941 I HA 0.349 4.516 4.170 -0.005 0.000 0.291 941 I C -2.008 174.136 176.117 0.046 0.000 1.006 941 I CA -1.528 59.797 61.300 0.042 0.000 1.265 941 I CB 0.855 38.883 38.000 0.046 0.000 1.387 941 I HN -0.074 nan 8.210 nan 0.000 0.475 942 P HA 0.065 nan 4.420 nan 0.000 0.269 942 P C 0.199 177.522 177.300 0.037 0.000 1.209 942 P CA -0.047 63.075 63.100 0.036 0.000 0.776 942 P CB 1.107 32.821 31.700 0.023 0.000 0.876 943 D N 1.861 122.285 120.400 0.040 0.000 2.204 943 D HA -0.227 4.410 4.640 -0.005 0.000 0.189 943 D C 1.736 178.039 176.300 0.005 0.000 1.006 943 D CA 1.866 55.881 54.000 0.026 0.000 0.855 943 D CB -0.795 40.011 40.800 0.010 0.000 0.946 943 D HN 0.478 nan 8.370 nan 0.000 0.448 944 I N -0.336 120.229 120.570 -0.009 0.000 2.423 944 I HA -0.169 3.998 4.170 -0.005 0.000 0.254 944 I C 1.223 177.341 176.117 0.002 0.000 1.151 944 I CA 1.510 62.798 61.300 -0.020 0.000 1.421 944 I CB -0.335 37.644 38.000 -0.035 0.000 1.079 944 I HN -0.175 nan 8.210 nan 0.000 0.431 945 D N 0.045 120.455 120.400 0.017 0.000 2.363 945 D HA 0.063 4.700 4.640 -0.005 0.000 0.214 945 D C 0.102 176.423 176.300 0.034 0.000 1.093 945 D CA 0.364 54.383 54.000 0.031 0.000 0.837 945 D CB 0.080 40.905 40.800 0.042 0.000 0.948 945 D HN 0.331 nan 8.370 nan 0.000 0.507 946 D N 1.189 121.611 120.400 0.036 0.000 2.392 946 D HA 0.033 4.670 4.640 -0.005 0.000 0.228 946 D C 1.609 177.945 176.300 0.059 0.000 1.074 946 D CA -0.458 53.573 54.000 0.052 0.000 0.838 946 D CB 2.021 42.857 40.800 0.061 0.000 1.067 946 D HN -0.137 nan 8.370 nan 0.000 0.511 947 V N 1.474 121.432 119.914 0.075 0.000 2.970 947 V HA 0.048 4.165 4.120 -0.005 0.000 0.260 947 V C 0.673 176.853 176.094 0.144 0.000 1.100 947 V CA 0.531 62.891 62.300 0.099 0.000 1.122 947 V CB -0.659 31.227 31.823 0.106 0.000 0.721 947 V HN 0.583 nan 8.190 nan 0.000 0.483 948 c N 2.230 120.917 118.600 0.145 0.000 3.164 948 c HA 0.490 5.057 4.570 -0.005 0.000 0.250 948 c C -1.147 173.015 174.090 0.121 0.000 1.151 948 c CA -0.534 55.886 56.329 0.151 0.000 1.449 948 c CB 0.971 43.598 42.510 0.195 0.000 1.825 948 c HN 0.398 nan 8.230 nan 0.000 0.478 949 P HA -0.084 nan 4.420 nan 0.000 0.226 949 P C 0.450 177.833 177.300 0.138 0.000 1.153 949 P CA 1.445 64.594 63.100 0.082 0.000 0.777 949 P CB 0.353 32.058 31.700 0.009 0.000 0.794 950 E N -0.308 119.967 120.200 0.126 0.000 2.651 950 E HA 0.187 4.534 4.350 -0.005 0.000 0.213 950 E C -0.054 176.657 176.600 0.184 0.000 1.028 950 E CA -0.226 56.289 56.400 0.192 0.000 1.183 950 E CB -0.077 29.694 29.700 0.119 0.000 1.188 950 E HN 0.038 nan 8.360 nan 0.000 0.444 951 N N 1.649 120.484 118.700 0.225 0.000 2.616 951 N HA -0.015 4.722 4.740 -0.005 0.000 0.281 951 N C -0.126 175.565 175.510 0.300 0.000 1.145 951 N CA -0.281 52.980 53.050 0.351 0.000 0.919 951 N CB 0.811 39.425 38.487 0.211 0.000 1.509 951 N HN 0.028 nan 8.380 nan 0.000 0.537 952 N N 2.616 121.584 118.700 0.447 0.000 2.515 952 N HA 0.002 4.739 4.740 -0.005 0.000 0.185 952 N C 0.891 176.452 175.510 0.085 0.000 1.109 952 N CA 0.854 54.032 53.050 0.214 0.000 0.903 952 N CB 0.030 38.658 38.487 0.236 0.000 0.969 952 N HN 0.399 nan 8.380 nan 0.000 0.450 953 A N -0.073 122.769 122.820 0.037 0.000 2.178 953 A HA 0.376 4.693 4.320 -0.005 0.000 0.211 953 A C 0.547 178.133 177.584 0.003 0.000 1.157 953 A CA 0.076 52.104 52.037 -0.016 0.000 0.780 953 A CB 0.007 18.963 19.000 -0.073 0.000 0.828 953 A HN 0.275 nan 8.150 nan 0.000 0.476 954 I N -1.057 119.538 120.570 0.042 0.000 2.534 954 I HA 0.328 4.495 4.170 -0.005 0.000 0.288 954 I C 0.171 176.352 176.117 0.106 0.000 1.077 954 I CA -0.177 61.166 61.300 0.071 0.000 1.051 954 I CB 2.585 40.629 38.000 0.072 0.000 1.234 954 I HN -0.032 nan 8.210 nan 0.000 0.425 955 S N 2.637 118.395 115.700 0.097 0.000 2.648 955 S HA 0.216 4.683 4.470 -0.005 0.000 0.270 955 S C -0.076 174.562 174.600 0.063 0.000 1.082 955 S CA -0.278 57.974 58.200 0.086 0.000 1.116 955 S CB 0.606 63.844 63.200 0.065 0.000 1.040 955 S HN 0.611 nan 8.310 nan 0.000 0.572 956 E N 1.865 122.093 120.200 0.048 0.000 2.199 956 E HA 0.451 4.798 4.350 -0.005 0.000 0.269 956 E C -0.989 175.549 176.600 -0.102 0.000 0.899 956 E CA -0.331 56.052 56.400 -0.028 0.000 0.772 956 E CB 1.149 30.828 29.700 -0.035 0.000 1.155 956 E HN -0.124 nan 8.360 nan 0.000 0.408 957 T N 2.989 117.338 114.554 -0.342 0.000 2.792 957 T HA 0.095 4.442 4.350 -0.005 0.000 0.286 957 T C -0.684 173.763 174.700 -0.422 0.000 0.970 957 T CA 0.558 62.165 62.100 -0.822 0.000 1.187 957 T CB -0.164 68.256 68.868 -0.748 0.000 0.915 957 T HN 0.291 nan 8.240 nan 0.000 0.529 958 D N 2.588 122.782 120.400 -0.344 0.000 2.613 958 D HA 0.215 4.852 4.640 -0.005 0.000 0.230 958 D C -0.653 175.553 176.300 -0.157 0.000 1.365 958 D CA -0.599 53.321 54.000 -0.133 0.000 0.976 958 D CB 0.647 41.430 40.800 -0.029 0.000 1.415 958 D HN 0.401 nan 8.370 nan 0.000 0.589 959 F N 1.747 121.772 119.950 0.126 0.000 2.654 959 F HA 0.304 4.828 4.527 -0.005 0.000 0.303 959 F C 2.264 178.203 175.800 0.231 0.000 1.099 959 F CA -0.409 57.683 58.000 0.152 0.000 1.270 959 F CB 0.449 39.479 39.000 0.049 0.000 1.024 959 F HN 0.157 nan 8.300 nan 0.000 0.548 960 R N 0.548 121.230 120.500 0.303 0.000 2.119 960 R HA -0.131 4.206 4.340 -0.005 0.000 0.246 960 R C 0.085 176.544 176.300 0.265 0.000 1.146 960 R CA 1.122 57.381 56.100 0.265 0.000 0.962 960 R CB -0.154 30.236 30.300 0.149 0.000 0.863 960 R HN 0.149 nan 8.270 nan 0.000 0.442 961 N N 0.120 118.965 118.700 0.242 0.000 2.408 961 N HA 0.195 4.932 4.740 -0.005 0.000 0.280 961 N C -1.073 174.675 175.510 0.397 0.000 1.002 961 N CA -0.156 53.009 53.050 0.191 0.000 0.907 961 N CB 1.490 40.052 38.487 0.125 0.000 1.161 961 N HN -0.024 nan 8.380 nan 0.000 0.488 962 F N -1.201 118.883 119.950 0.223 0.000 2.613 962 F HA 0.487 5.010 4.527 -0.005 0.000 0.310 962 F C 0.024 175.760 175.800 -0.107 0.000 1.085 962 F CA -1.151 56.820 58.000 -0.049 0.000 0.945 962 F CB 1.216 40.115 39.000 -0.169 0.000 1.298 962 F HN 0.224 nan 8.300 nan 0.000 0.455 966 P HA 0.398 nan 4.420 nan 0.000 0.287 966 P C 0.137 177.450 177.300 0.021 0.000 1.281 966 P CA -0.256 62.862 63.100 0.029 0.000 0.781 966 P CB 1.662 33.383 31.700 0.036 0.000 0.903 967 L N 1.929 123.150 121.223 -0.003 0.000 2.554 967 L HA 0.211 4.548 4.340 -0.005 0.000 0.225 967 L C 0.468 177.331 176.870 -0.012 0.000 1.104 967 L CA 1.323 56.168 54.840 0.009 0.000 0.866 967 L CB -0.901 41.158 42.059 0.000 0.000 1.047 967 L HN 0.369 nan 8.230 nan 0.000 0.468 968 D N 0.086 120.472 120.400 -0.024 0.000 2.978 968 D HA 0.173 4.810 4.640 -0.005 0.000 0.268 968 D C -2.628 173.680 176.300 0.013 0.000 1.252 968 D CA -1.184 52.810 54.000 -0.009 0.000 0.771 968 D CB 1.122 41.901 40.800 -0.035 0.000 1.361 968 D HN -0.060 nan 8.370 nan 0.000 0.558 969 P HA 0.246 nan 4.420 nan 0.000 0.275 969 P C -0.290 177.029 177.300 0.032 0.000 1.228 969 P CA -0.197 62.920 63.100 0.029 0.000 0.786 969 P CB 1.868 33.586 31.700 0.029 0.000 0.927 970 K N 0.762 121.183 120.400 0.034 0.000 1.731 970 K HA 0.546 4.863 4.320 -0.005 0.000 0.303 970 K C 0.859 177.478 176.600 0.032 0.000 0.896 970 K CA -0.363 55.945 56.287 0.035 0.000 0.452 970 K CB -0.386 32.138 32.500 0.040 0.000 3.271 970 K HN 0.319 nan 8.250 nan 0.000 1.165 971 G N -0.750 108.069 108.800 0.032 0.000 2.663 971 G HA2 0.206 4.163 3.960 -0.005 0.000 0.200 971 G HA3 0.206 4.163 3.960 -0.005 0.000 0.200 971 G C 0.548 175.464 174.900 0.028 0.000 1.114 971 G CA 0.722 45.839 45.100 0.028 0.000 0.861 971 G HN 0.481 nan 8.290 nan 0.000 0.702 972 T N -0.754 113.818 114.554 0.031 0.000 3.764 972 T HA 0.033 4.380 4.350 -0.005 0.000 0.300 972 T C 1.977 176.698 174.700 0.034 0.000 0.943 972 T CA 0.756 62.874 62.100 0.029 0.000 1.151 972 T CB -0.205 68.677 68.868 0.023 0.000 1.116 972 T HN 0.025 nan 8.240 nan 0.000 0.483 973 T N 2.751 117.331 114.554 0.043 0.000 3.093 973 T HA -0.082 4.265 4.350 -0.005 0.000 0.270 973 T C 0.914 175.654 174.700 0.067 0.000 1.170 973 T CA 0.768 62.903 62.100 0.059 0.000 1.072 973 T CB -0.408 68.509 68.868 0.081 0.000 0.863 973 T HN 0.287 nan 8.240 nan 0.000 0.562 974 Q N 1.705 121.536 119.800 0.052 0.000 2.371 974 Q HA 0.159 4.496 4.340 -0.005 0.000 0.254 974 Q C -0.788 175.240 176.000 0.045 0.000 1.264 974 Q CA 0.296 56.129 55.803 0.049 0.000 0.904 974 Q CB -0.683 28.079 28.738 0.040 0.000 1.507 974 Q HN 0.482 nan 8.270 nan 0.000 0.495 975 I N 3.644 124.247 120.570 0.054 0.000 2.306 975 I HA 0.228 4.395 4.170 -0.005 0.000 0.288 975 I C -0.211 175.923 176.117 0.029 0.000 1.036 975 I CA -0.758 60.567 61.300 0.042 0.000 1.221 975 I CB 0.957 38.989 38.000 0.054 0.000 1.385 975 I HN 0.425 nan 8.210 nan 0.000 0.472 976 D N 8.296 128.705 120.400 0.016 0.000 2.304 976 D HA 0.262 4.899 4.640 -0.005 0.000 0.247 976 D C -2.232 174.040 176.300 -0.047 0.000 1.089 976 D CA -1.319 52.686 54.000 0.007 0.000 0.910 976 D CB 1.112 41.930 40.800 0.030 0.000 1.199 976 D HN 0.176 nan 8.370 nan 0.000 0.426 977 P HA 0.044 nan 4.420 nan 0.000 0.268 977 P C -0.316 176.796 177.300 -0.313 0.000 1.205 977 P CA -0.106 62.805 63.100 -0.315 0.000 0.771 977 P CB 0.517 31.957 31.700 -0.433 0.000 0.858 978 N N 2.696 121.164 118.700 -0.388 0.000 2.446 978 N HA 0.180 4.917 4.740 -0.005 0.000 0.265 978 N C -1.393 173.934 175.510 -0.305 0.000 0.975 978 N CA -0.501 52.419 53.050 -0.217 0.000 0.928 978 N CB 0.592 39.014 38.487 -0.109 0.000 1.160 978 N HN 0.317 nan 8.380 nan 0.000 0.495 979 W N 3.817 125.145 121.300 0.047 0.000 2.349 979 W HA 0.394 5.050 4.660 -0.005 0.000 0.309 979 W C 0.283 176.837 176.519 0.058 0.000 1.083 979 W CA -0.896 56.449 57.345 0.000 0.000 1.224 979 W CB 1.275 30.663 29.460 -0.120 0.000 1.256 979 W HN 0.072 nan 8.180 nan 0.000 0.461 980 V N 5.537 125.583 119.914 0.220 0.000 2.513 980 V HA 0.676 4.793 4.120 -0.005 0.000 0.299 980 V C -0.672 175.516 176.094 0.157 0.000 1.035 980 V CA -0.999 61.395 62.300 0.157 0.000 0.889 980 V CB 1.051 32.909 31.823 0.058 0.000 0.988 980 V HN 0.475 nan 8.190 nan 0.000 0.440 981 I N 6.365 127.039 120.570 0.173 0.000 2.354 981 I HA 0.683 4.850 4.170 -0.005 0.000 0.292 981 I C 0.337 176.538 176.117 0.140 0.000 0.989 981 I CA -0.375 61.030 61.300 0.175 0.000 1.188 981 I CB 1.664 39.805 38.000 0.235 0.000 1.342 981 I HN 0.682 nan 8.210 nan 0.000 0.457 982 R N 1.313 121.899 120.500 0.144 0.000 3.076 982 R HA 0.450 4.787 4.340 -0.005 0.000 0.239 982 R C -0.068 176.365 176.300 0.221 0.000 1.392 982 R CA -1.077 55.113 56.100 0.149 0.000 1.044 982 R CB 0.565 30.934 30.300 0.116 0.000 1.389 982 R HN 0.664 nan 8.270 nan 0.000 0.498 983 H N 1.245 120.364 119.070 0.081 0.000 2.655 983 H HA -0.239 4.314 4.556 -0.005 0.000 0.313 983 H C -0.669 174.706 175.328 0.077 0.000 1.141 983 H CA 0.242 56.339 56.048 0.082 0.000 1.138 983 H CB -0.583 29.242 29.762 0.105 0.000 1.446 983 H HN 0.555 nan 8.280 nan 0.000 0.415 984 Q N -1.141 118.752 119.800 0.155 0.000 2.416 984 Q HA -0.238 4.099 4.340 -0.005 0.000 0.319 984 Q C 1.251 177.278 176.000 0.044 0.000 1.318 984 Q CA 1.883 57.734 55.803 0.080 0.000 0.915 984 Q CB -1.639 27.132 28.738 0.054 0.000 1.184 984 Q HN 0.989 nan 8.270 nan 0.000 0.444 985 G N -1.594 107.267 108.800 0.102 0.000 2.159 985 G HA2 -0.325 3.632 3.960 -0.005 0.000 0.227 985 G HA3 -0.325 3.632 3.960 -0.005 0.000 0.227 985 G C 0.489 175.493 174.900 0.174 0.000 0.986 985 G CA 0.221 45.414 45.100 0.154 0.000 0.651 985 G HN 0.370 nan 8.290 nan 0.000 0.523 986 K N -0.004 120.437 120.400 0.067 0.000 2.387 986 K HA 0.291 4.608 4.320 -0.005 0.000 0.203 986 K C 0.308 177.020 176.600 0.186 0.000 1.030 986 K CA 0.240 56.549 56.287 0.036 0.000 1.099 986 K CB 0.975 33.247 32.500 -0.380 0.000 0.863 986 K HN 0.482 nan 8.250 nan 0.000 0.529 987 E N 1.416 121.751 120.200 0.224 0.000 2.291 987 E HA 0.264 4.611 4.350 -0.005 0.000 0.276 987 E C -1.511 175.199 176.600 0.184 0.000 0.896 987 E CA -0.470 56.072 56.400 0.235 0.000 0.774 987 E CB 1.260 31.116 29.700 0.259 0.000 1.227 987 E HN -0.037 nan 8.360 nan 0.000 0.413 988 L N 3.851 125.194 121.223 0.201 0.000 2.346 988 L HA 0.608 4.945 4.340 -0.005 0.000 0.276 988 L C -0.727 176.294 176.870 0.252 0.000 1.006 988 L CA -1.283 53.677 54.840 0.200 0.000 0.817 988 L CB 1.934 44.051 42.059 0.096 0.000 1.272 988 L HN 0.403 nan 8.230 nan 0.000 0.421 989 V N 2.749 122.716 119.914 0.088 0.000 2.384 989 V HA 0.283 4.400 4.120 -0.005 0.000 0.287 989 V C 0.005 176.092 176.094 -0.011 0.000 1.020 989 V CA -0.625 61.598 62.300 -0.129 0.000 0.850 989 V CB 1.751 33.237 31.823 -0.562 0.000 0.987 989 V HN 0.673 nan 8.190 nan 0.000 0.436 990 Q N 2.127 121.904 119.800 -0.039 0.000 2.279 990 Q HA 0.331 4.668 4.340 -0.005 0.000 0.256 990 Q C 0.544 176.390 176.000 -0.257 0.000 0.937 990 Q CA 0.138 55.724 55.803 -0.363 0.000 0.933 990 Q CB 1.887 30.237 28.738 -0.647 0.000 1.189 990 Q HN 0.818 nan 8.270 nan 0.000 0.417 991 T N 1.239 115.641 114.554 -0.252 0.000 3.023 991 T HA 0.300 4.647 4.350 -0.005 0.000 0.249 991 T C -0.104 174.527 174.700 -0.115 0.000 1.050 991 T CA 0.588 62.603 62.100 -0.141 0.000 1.088 991 T CB 0.396 69.201 68.868 -0.104 0.000 0.946 991 T HN 0.605 nan 8.240 nan 0.000 0.480 992 A N 1.603 124.331 122.820 -0.152 0.000 2.337 992 A HA 0.673 4.990 4.320 -0.005 0.000 0.331 992 A C -0.283 177.265 177.584 -0.060 0.000 1.137 992 A CA -0.683 51.298 52.037 -0.093 0.000 0.807 992 A CB 0.566 19.511 19.000 -0.093 0.000 1.250 992 A HN 0.161 nan 8.150 nan 0.000 0.468 993 N N 1.371 120.066 118.700 -0.009 0.000 2.466 993 N HA 0.236 4.973 4.740 -0.005 0.000 0.263 993 N C -0.096 175.465 175.510 0.085 0.000 1.178 993 N CA 0.566 53.645 53.050 0.049 0.000 0.983 993 N CB -0.075 38.438 38.487 0.043 0.000 1.331 993 N HN 0.708 nan 8.380 nan 0.000 0.500 994 S N 1.688 117.450 115.700 0.103 0.000 2.677 994 S HA 0.493 4.960 4.470 -0.005 0.000 0.304 994 S C -0.363 174.341 174.600 0.175 0.000 1.108 994 S CA -0.974 57.277 58.200 0.086 0.000 0.944 994 S CB 1.268 64.450 63.200 -0.030 0.000 1.127 994 S HN 0.286 nan 8.310 nan 0.000 0.511 995 D N 2.429 122.896 120.400 0.113 0.000 2.364 995 D HA 0.250 4.887 4.640 -0.005 0.000 0.236 995 D C -2.231 174.016 176.300 -0.089 0.000 1.221 995 D CA -0.606 53.435 54.000 0.067 0.000 0.891 995 D CB 0.022 40.837 40.800 0.024 0.000 1.190 995 D HN 0.416 nan 8.370 nan 0.000 0.449 996 P HA 0.200 nan 4.420 nan 0.000 0.268 996 P C -0.255 176.884 177.300 -0.269 0.000 1.204 996 P CA -0.102 62.630 63.100 -0.613 0.000 0.768 996 P CB 0.667 31.693 31.700 -1.123 0.000 0.842 997 G N 2.301 110.956 108.800 -0.243 0.000 2.703 997 G HA2 0.622 4.579 3.960 -0.005 0.000 0.294 997 G HA3 0.622 4.579 3.960 -0.005 0.000 0.294 997 G C -1.588 173.336 174.900 0.039 0.000 1.451 997 G CA -0.677 44.404 45.100 -0.033 0.000 0.869 997 G HN 0.372 nan 8.290 nan 0.000 0.516 998 I N 0.490 121.099 120.570 0.064 0.000 2.569 998 I HA 0.676 4.843 4.170 -0.005 0.000 0.296 998 I C 0.291 176.287 176.117 -0.203 0.000 1.028 998 I CA -1.175 60.110 61.300 -0.024 0.000 1.082 998 I CB 2.523 40.434 38.000 -0.149 0.000 1.264 998 I HN 0.621 nan 8.210 nan 0.000 0.429 999 A N 5.435 127.886 122.820 -0.614 0.000 2.256 999 A HA 0.693 5.010 4.320 -0.005 0.000 0.317 999 A C -0.445 176.756 177.584 -0.639 0.000 1.318 999 A CA -0.566 50.932 52.037 -0.898 0.000 0.894 999 A CB 0.718 18.416 19.000 -2.170 0.000 1.165 999 A HN 0.642 nan 8.150 nan 0.000 0.525 1000 V N 1.747 121.386 119.914 -0.459 0.000 2.417 1000 V HA 0.871 4.988 4.120 -0.005 0.000 0.291 1000 V C 0.557 176.453 176.094 -0.330 0.000 1.024 1000 V CA 0.022 62.063 62.300 -0.432 0.000 0.861 1000 V CB 0.814 32.157 31.823 -0.801 0.000 0.985 1000 V HN 1.061 nan 8.190 nan 0.000 0.436 1001 G N 2.679 111.471 108.800 -0.014 0.000 2.684 1001 G HA2 0.367 4.324 3.960 -0.005 0.000 0.255 1001 G HA3 0.367 4.324 3.960 -0.005 0.000 0.255 1001 G C -0.189 174.520 174.900 -0.318 0.000 1.219 1001 G CA -0.306 44.776 45.100 -0.028 0.000 0.901 1001 G HN 0.736 nan 8.290 nan 0.000 0.548 1002 F N -0.919 118.998 119.950 -0.055 0.000 2.714 1002 F HA 0.197 4.721 4.527 -0.005 0.000 0.294 1002 F C 0.890 176.595 175.800 -0.158 0.000 1.120 1002 F CA -0.211 57.739 58.000 -0.083 0.000 1.398 1002 F CB 0.312 39.276 39.000 -0.061 0.000 1.120 1002 F HN 0.151 nan 8.300 nan 0.000 0.589 1003 D N 1.561 121.891 120.400 -0.118 0.000 2.414 1003 D HA 0.129 4.766 4.640 -0.005 0.000 0.242 1003 D C -0.077 175.829 176.300 -0.656 0.000 1.129 1003 D CA 0.451 54.214 54.000 -0.395 0.000 0.885 1003 D CB 0.733 41.231 40.800 -0.503 0.000 1.198 1003 D HN 0.298 nan 8.370 nan 0.000 0.437 1004 E N 0.592 120.323 120.200 -0.782 0.000 2.256 1004 E HA 0.579 4.926 4.350 -0.005 0.000 0.267 1004 E C -0.866 175.217 176.600 -0.862 0.000 0.892 1004 E CA -0.722 55.321 56.400 -0.595 0.000 0.775 1004 E CB 1.649 31.254 29.700 -0.158 0.000 1.207 1004 E HN 0.229 nan 8.360 nan 0.000 0.420 1005 F N -0.005 119.951 119.950 0.009 0.000 2.578 1005 F HA 0.456 4.979 4.527 -0.005 0.000 0.311 1005 F C 0.915 176.763 175.800 0.079 0.000 1.094 1005 F CA -0.831 57.181 58.000 0.021 0.000 0.923 1005 F CB 1.828 40.818 39.000 -0.017 0.000 1.230 1005 F HN 0.602 nan 8.300 nan 0.000 0.450 1006 G N 0.419 109.361 108.800 0.237 0.000 3.056 1006 G HA2 0.109 4.066 3.960 -0.005 0.000 0.175 1006 G HA3 0.109 4.066 3.960 -0.005 0.000 0.175 1006 G C -0.115 174.856 174.900 0.117 0.000 1.894 1006 G CA -0.299 44.897 45.100 0.160 0.000 0.910 1006 G HN 0.512 nan 8.290 nan 0.000 0.462 1007 S N -0.915 114.820 115.700 0.057 0.000 2.552 1007 S HA 0.382 4.849 4.470 -0.005 0.000 0.289 1007 S C -0.422 174.206 174.600 0.047 0.000 1.304 1007 S CA -0.025 58.178 58.200 0.005 0.000 1.063 1007 S CB 1.105 64.314 63.200 0.015 0.000 0.848 1007 S HN 0.628 nan 8.310 nan 0.000 0.499 1008 V N 3.365 123.275 119.914 -0.006 0.000 3.077 1008 V HA 0.423 4.540 4.120 -0.005 0.000 0.299 1008 V C -1.945 174.099 176.094 -0.084 0.000 1.276 1008 V CA -0.849 61.398 62.300 -0.088 0.000 0.993 1008 V CB 2.592 34.261 31.823 -0.257 0.000 1.076 1008 V HN 0.808 nan 8.190 nan 0.000 0.434 1009 D N 4.457 124.802 120.400 -0.092 0.000 2.362 1009 D HA 0.608 5.245 4.640 -0.005 0.000 0.247 1009 D C -1.420 174.861 176.300 -0.032 0.000 1.050 1009 D CA 0.181 54.111 54.000 -0.116 0.000 0.839 1009 D CB 1.970 42.759 40.800 -0.018 0.000 1.283 1009 D HN 0.378 nan 8.370 nan 0.000 0.477 1010 F N 1.904 121.668 119.950 -0.310 0.000 2.585 1010 F HA 0.461 4.985 4.527 -0.005 0.000 0.319 1010 F C -1.036 174.663 175.800 -0.167 0.000 1.165 1010 F CA -0.997 56.914 58.000 -0.148 0.000 0.949 1010 F CB 1.082 40.020 39.000 -0.104 0.000 1.218 1010 F HN 0.267 nan 8.300 nan 0.000 0.453 1011 S N 3.107 118.679 115.700 -0.213 0.000 2.632 1011 S HA 1.058 5.525 4.470 -0.005 0.000 0.289 1011 S C -0.530 173.446 174.600 -1.039 0.000 1.115 1011 S CA -0.600 57.195 58.200 -0.674 0.000 0.889 1011 S CB 1.928 65.017 63.200 -0.185 0.000 1.116 1011 S HN 1.314 nan 8.310 nan 0.000 0.486 1012 G N -0.192 107.565 108.800 -1.739 0.000 2.579 1012 G HA2 0.521 4.478 3.960 -0.005 0.000 0.292 1012 G HA3 0.521 4.478 3.960 -0.005 0.000 0.292 1012 G C -1.507 172.649 174.900 -1.240 0.000 1.484 1012 G CA -0.616 43.542 45.100 -1.570 0.000 0.813 1012 G HN 0.700 nan 8.290 nan 0.000 0.515 1013 T N 0.963 115.248 114.554 -0.449 0.000 2.799 1013 T HA 0.533 4.880 4.350 -0.005 0.000 0.286 1013 T C -1.193 173.668 174.700 0.269 0.000 0.973 1013 T CA -0.017 62.061 62.100 -0.037 0.000 1.035 1013 T CB 0.874 69.760 68.868 0.030 0.000 0.932 1013 T HN 0.445 nan 8.240 nan 0.000 0.469 1014 F N 4.917 125.072 119.950 0.343 0.000 2.426 1014 F HA 0.638 5.162 4.527 -0.005 0.000 0.348 1014 F C -1.299 174.693 175.800 0.319 0.000 1.124 1014 F CA -1.309 56.935 58.000 0.407 0.000 1.008 1014 F CB 0.814 40.215 39.000 0.667 0.000 1.139 1014 F HN 0.603 nan 8.300 nan 0.000 0.452 1015 Y N 5.643 125.759 120.300 -0.306 0.000 2.399 1015 Y HA 0.568 5.115 4.550 -0.005 0.000 0.327 1015 Y C -1.984 173.609 175.900 -0.511 0.000 1.111 1015 Y CA -0.980 56.978 58.100 -0.237 0.000 1.047 1015 Y CB 1.605 39.988 38.460 -0.127 0.000 1.259 1015 Y HN 0.354 nan 8.280 nan 0.000 0.434 1016 V N 5.828 125.255 119.914 -0.813 0.000 2.318 1016 V HA 0.180 4.297 4.120 -0.005 0.000 0.271 1016 V C -0.089 175.582 176.094 -0.705 0.000 1.030 1016 V CA -0.638 61.215 62.300 -0.745 0.000 0.844 1016 V CB 1.019 32.260 31.823 -0.970 0.000 1.015 1016 V HN 0.727 nan 8.190 nan 0.000 0.460 1017 N N 3.739 122.220 118.700 -0.365 0.000 3.052 1017 N HA 0.211 4.948 4.740 -0.005 0.000 0.302 1017 N C -0.301 175.069 175.510 -0.234 0.000 1.332 1017 N CA 0.265 53.194 53.050 -0.201 0.000 1.129 1017 N CB 0.195 38.633 38.487 -0.082 0.000 1.436 1017 N HN 0.759 nan 8.380 nan 0.000 0.536 1018 T N -1.245 112.897 114.554 -0.686 0.000 2.827 1018 T HA 0.140 4.487 4.350 -0.005 0.000 0.328 1018 T C -0.520 173.835 174.700 -0.575 0.000 1.598 1018 T CA -0.576 61.263 62.100 -0.435 0.000 1.043 1018 T CB 0.535 69.317 68.868 -0.144 0.000 1.447 1018 T HN 0.271 nan 8.240 nan 0.000 0.491 1019 D N 0.603 120.886 120.400 -0.195 0.000 2.346 1019 D HA 0.105 4.742 4.640 -0.005 0.000 0.206 1019 D C 0.822 177.102 176.300 -0.034 0.000 1.001 1019 D CA -0.038 53.919 54.000 -0.072 0.000 0.871 1019 D CB 0.042 40.900 40.800 0.096 0.000 0.943 1019 D HN 0.517 nan 8.370 nan 0.000 0.518 1020 R N 1.522 122.007 120.500 -0.024 0.000 2.389 1020 R HA 0.264 4.601 4.340 -0.005 0.000 0.295 1020 R C -0.239 176.073 176.300 0.020 0.000 1.075 1020 R CA -0.241 55.857 56.100 -0.004 0.000 1.005 1020 R CB 0.313 30.612 30.300 -0.002 0.000 0.987 1020 R HN -0.024 nan 8.270 nan 0.000 0.452 1021 D N 1.348 121.757 120.400 0.015 0.000 10.696 1021 D HA -0.139 4.498 4.640 -0.005 0.000 0.353 1021 D C -1.139 175.180 176.300 0.031 0.000 3.125 1021 D CA 1.300 55.325 54.000 0.041 0.000 2.612 1021 D CB 0.138 40.992 40.800 0.090 0.000 1.223 1021 D HN 0.898 nan 8.370 nan 0.000 0.947 1022 D N 0.031 120.431 120.400 -0.001 0.000 2.940 1022 D HA 0.316 4.953 4.640 -0.005 0.000 0.366 1022 D C -0.333 175.875 176.300 -0.152 0.000 1.446 1022 D CA -0.344 53.529 54.000 -0.211 0.000 0.780 1022 D CB 0.370 41.003 40.800 -0.278 0.000 1.206 1022 D HN 0.113 nan 8.370 nan 0.000 0.454 1023 D N -0.257 120.230 120.400 0.145 0.000 2.494 1023 D HA 0.285 4.922 4.640 -0.005 0.000 0.256 1023 D C -0.390 176.010 176.300 0.167 0.000 1.197 1023 D CA -0.424 53.599 54.000 0.038 0.000 1.096 1023 D CB 0.253 41.191 40.800 0.230 0.000 1.191 1023 D HN 0.056 nan 8.370 nan 0.000 0.608 1024 Y N -0.340 120.093 120.300 0.222 0.000 2.323 1024 Y HA 0.548 5.095 4.550 -0.005 0.000 0.331 1024 Y C 0.366 176.489 175.900 0.371 0.000 1.092 1024 Y CA -0.464 57.821 58.100 0.309 0.000 1.150 1024 Y CB 1.603 40.220 38.460 0.262 0.000 1.200 1024 Y HN 0.283 nan 8.280 nan 0.000 0.472 1025 A N 1.500 124.731 122.820 0.685 0.000 2.583 1025 A HA 0.947 5.264 4.320 -0.005 0.000 0.289 1025 A C -0.317 177.778 177.584 0.851 0.000 1.151 1025 A CA -0.036 52.415 52.037 0.689 0.000 0.695 1025 A CB 1.540 20.775 19.000 0.391 0.000 1.290 1025 A HN 1.044 nan 8.150 nan 0.000 0.419 1026 G N -1.384 107.940 108.800 0.873 0.000 2.513 1026 G HA2 0.599 4.556 3.960 -0.005 0.000 0.182 1026 G HA3 0.599 4.556 3.960 -0.005 0.000 0.182 1026 G C -1.157 173.963 174.900 0.367 0.000 1.190 1026 G CA 0.320 45.729 45.100 0.516 0.000 0.987 1026 G HN 2.173 nan 8.290 nan 0.000 0.479 1027 F N -0.752 119.188 119.950 -0.017 0.000 2.662 1027 F HA 0.847 5.371 4.527 -0.005 0.000 0.312 1027 F C -0.406 175.438 175.800 0.073 0.000 1.113 1027 F CA -1.047 56.921 58.000 -0.052 0.000 0.951 1027 F CB 1.479 40.274 39.000 -0.341 0.000 1.344 1027 F HN 1.059 nan 8.300 nan 0.000 0.462 1028 V N 0.720 120.881 119.914 0.412 0.000 2.815 1028 V HA 0.908 5.025 4.120 -0.005 0.000 0.314 1028 V C -1.010 175.479 176.094 0.658 0.000 1.064 1028 V CA -0.967 61.552 62.300 0.364 0.000 0.952 1028 V CB 1.486 33.411 31.823 0.169 0.000 1.020 1028 V HN 1.240 nan 8.190 nan 0.000 0.439 1029 F N 0.193 120.389 119.950 0.411 0.000 2.675 1029 F HA 0.919 5.443 4.527 -0.005 0.000 0.324 1029 F C 0.857 176.885 175.800 0.380 0.000 1.106 1029 F CA -0.616 57.605 58.000 0.368 0.000 0.970 1029 F CB 1.231 40.433 39.000 0.337 0.000 1.385 1029 F HN 1.335 nan 8.300 nan 0.000 0.489 1030 G N 0.496 109.577 108.800 0.468 0.000 2.321 1030 G HA2 -0.370 3.587 3.960 -0.005 0.000 0.287 1030 G HA3 -0.370 3.587 3.960 -0.005 0.000 0.287 1030 G C -0.407 174.578 174.900 0.142 0.000 1.018 1030 G CA 0.579 45.901 45.100 0.369 0.000 0.855 1030 G HN 1.134 nan 8.290 nan 0.000 0.507 1031 Y N 0.323 120.659 120.300 0.061 0.000 2.544 1031 Y HA 0.374 4.921 4.550 -0.005 0.000 0.330 1031 Y C 1.329 177.166 175.900 -0.105 0.000 1.136 1031 Y CA 0.868 58.944 58.100 -0.039 0.000 1.417 1031 Y CB 0.616 39.023 38.460 -0.088 0.000 1.229 1031 Y HN 0.346 nan 8.280 nan 0.000 0.532 1032 Q N 3.120 122.527 119.800 -0.655 0.000 2.620 1032 Q HA 0.169 4.506 4.340 -0.005 0.000 0.232 1032 Q C -0.262 175.393 176.000 -0.575 0.000 0.836 1032 Q CA 0.479 56.006 55.803 -0.460 0.000 0.938 1032 Q CB 0.814 29.287 28.738 -0.442 0.000 1.242 1032 Q HN 0.681 nan 8.270 nan 0.000 0.624 1033 S N -0.846 114.373 115.700 -0.802 0.000 2.638 1033 S HA 0.230 4.697 4.470 -0.005 0.000 0.274 1033 S C 0.435 174.731 174.600 -0.506 0.000 1.157 1033 S CA -0.178 57.706 58.200 -0.526 0.000 0.826 1033 S CB 1.369 64.424 63.200 -0.241 0.000 1.139 1033 S HN 0.166 nan 8.310 nan 0.000 0.474 1034 S N 0.601 116.222 115.700 -0.131 0.000 2.584 1034 S HA 0.008 4.475 4.470 -0.005 0.000 0.240 1034 S C 0.907 175.627 174.600 0.200 0.000 0.975 1034 S CA 0.803 59.064 58.200 0.100 0.000 0.949 1034 S CB -0.731 62.541 63.200 0.122 0.000 0.761 1034 S HN 0.688 nan 8.310 nan 0.000 0.536 1035 S N 0.671 116.373 115.700 0.002 0.000 2.559 1035 S HA 0.332 4.799 4.470 -0.005 0.000 0.226 1035 S C 0.169 174.648 174.600 -0.202 0.000 1.000 1035 S CA -0.663 57.495 58.200 -0.070 0.000 0.948 1035 S CB 0.360 63.525 63.200 -0.060 0.000 0.870 1035 S HN 0.451 nan 8.310 nan 0.000 0.497 1036 R N 1.317 121.631 120.500 -0.310 0.000 2.680 1036 R HA 0.487 4.824 4.340 -0.005 0.000 0.278 1036 R C -1.463 174.343 176.300 -0.823 0.000 1.582 1036 R CA -0.332 55.333 56.100 -0.726 0.000 1.177 1036 R CB 0.758 30.563 30.300 -0.826 0.000 1.232 1036 R HN 0.345 nan 8.270 nan 0.000 0.528 1037 F N -1.545 117.934 119.950 -0.784 0.000 2.713 1037 F HA 0.523 5.047 4.527 -0.005 0.000 0.311 1037 F C -1.314 174.161 175.800 -0.542 0.000 1.141 1037 F CA -1.627 55.996 58.000 -0.627 0.000 0.939 1037 F CB 0.961 39.756 39.000 -0.343 0.000 1.325 1037 F HN -0.010 nan 8.300 nan 0.000 0.453 1038 Y N 1.248 121.321 120.300 -0.379 0.000 2.334 1038 Y HA 0.621 5.168 4.550 -0.005 0.000 0.328 1038 Y C -0.156 175.521 175.900 -0.371 0.000 1.130 1038 Y CA -0.962 56.777 58.100 -0.602 0.000 1.163 1038 Y CB 1.861 39.430 38.460 -1.486 0.000 1.207 1038 Y HN 0.650 nan 8.280 nan 0.000 0.471 1039 V N 4.863 124.700 119.914 -0.129 0.000 2.638 1039 V HA 0.694 4.811 4.120 -0.005 0.000 0.306 1039 V C -1.062 174.877 176.094 -0.259 0.000 1.052 1039 V CA -0.557 61.637 62.300 -0.177 0.000 0.885 1039 V CB 1.555 33.191 31.823 -0.311 0.000 0.999 1039 V HN 0.611 nan 8.190 nan 0.000 0.424 1043 K N 3.648 124.250 120.400 0.337 0.000 2.138 1043 K HA 0.220 4.537 4.320 -0.005 0.000 0.263 1043 K C 0.814 177.100 176.600 -0.523 0.000 0.965 1043 K CA -0.391 55.716 56.287 -0.301 0.000 0.868 1043 K CB 2.453 34.432 32.500 -0.869 0.000 1.083 1043 K HN 0.699 nan 8.250 nan 0.000 0.443 1044 Q N 1.625 120.809 119.800 -1.026 0.000 1.969 1044 Q HA -0.021 4.316 4.340 -0.005 0.000 0.198 1044 Q C -0.168 175.442 176.000 -0.650 0.000 0.978 1044 Q CA 1.065 56.072 55.803 -1.327 0.000 0.830 1044 Q CB 0.426 28.018 28.738 -1.911 0.000 0.896 1044 Q HN 0.370 nan 8.270 nan 0.000 0.431 1045 V N 1.379 120.990 119.914 -0.505 0.000 2.513 1045 V HA 0.231 4.348 4.120 -0.005 0.000 0.299 1045 V C -0.247 175.683 176.094 -0.273 0.000 1.035 1045 V CA -0.780 61.330 62.300 -0.318 0.000 0.889 1045 V CB 1.601 33.277 31.823 -0.244 0.000 0.988 1045 V HN 0.228 nan 8.190 nan 0.000 0.440 1046 T N 4.990 119.398 114.554 -0.242 0.000 2.866 1046 T HA 0.155 4.502 4.350 -0.005 0.000 0.293 1046 T C -0.173 174.424 174.700 -0.171 0.000 1.005 1046 T CA 0.794 62.722 62.100 -0.287 0.000 1.162 1046 T CB -0.112 68.486 68.868 -0.450 0.000 0.968 1046 T HN 0.766 nan 8.240 nan 0.000 0.530 1047 Q N 2.246 122.013 119.800 -0.054 0.000 2.284 1047 Q HA 0.382 4.719 4.340 -0.005 0.000 0.269 1047 Q C -0.612 175.611 176.000 0.372 0.000 1.026 1047 Q CA -0.741 55.158 55.803 0.160 0.000 0.831 1047 Q CB 1.840 30.747 28.738 0.282 0.000 1.322 1047 Q HN 0.668 nan 8.270 nan 0.000 0.419 1048 T N 2.191 116.916 114.554 0.285 0.000 2.832 1048 T HA 0.194 4.541 4.350 -0.005 0.000 0.296 1048 T C -0.453 174.308 174.700 0.103 0.000 0.968 1048 T CA -0.137 62.103 62.100 0.234 0.000 1.107 1048 T CB 0.186 69.115 68.868 0.103 0.000 0.916 1048 T HN 0.490 nan 8.240 nan 0.000 0.517 1049 Y N 5.068 125.149 120.300 -0.365 0.000 2.597 1049 Y HA 0.207 4.754 4.550 -0.005 0.000 0.336 1049 Y C 0.876 176.415 175.900 -0.601 0.000 1.216 1049 Y CA -1.056 56.393 58.100 -1.085 0.000 1.463 1049 Y CB 0.420 37.913 38.460 -1.612 0.000 1.303 1049 Y HN 0.903 nan 8.280 nan 0.000 0.576 1050 W N 1.930 122.562 121.300 -1.113 0.000 3.077 1050 W HA 0.264 4.921 4.660 -0.005 0.000 0.245 1050 W C -0.422 175.742 176.519 -0.592 0.000 1.316 1050 W CA -0.325 56.616 57.345 -0.673 0.000 1.537 1050 W CB -0.248 28.897 29.460 -0.526 0.000 1.131 1050 W HN 0.410 nan 8.180 nan 0.000 0.695 1051 E N 1.476 121.150 120.200 -0.877 0.000 2.102 1051 E HA 0.053 4.400 4.350 -0.005 0.000 0.263 1051 E C 0.247 176.734 176.600 -0.188 0.000 0.894 1051 E CA -0.258 55.931 56.400 -0.350 0.000 0.746 1051 E CB 0.914 30.479 29.700 -0.226 0.000 1.129 1051 E HN 0.055 nan 8.360 nan 0.000 0.416 1052 D N 2.094 122.410 120.400 -0.140 0.000 2.312 1052 D HA -0.124 4.513 4.640 -0.005 0.000 0.211 1052 D C 0.067 176.312 176.300 -0.092 0.000 0.964 1052 D CA 0.610 54.543 54.000 -0.112 0.000 0.877 1052 D CB 0.191 40.944 40.800 -0.079 0.000 0.924 1052 D HN 0.239 nan 8.370 nan 0.000 0.515 1053 Q N 0.479 120.227 119.800 -0.087 0.000 2.230 1053 Q HA 0.208 4.545 4.340 -0.005 0.000 0.248 1053 Q C -1.685 174.234 176.000 -0.135 0.000 0.915 1053 Q CA -1.927 53.817 55.803 -0.098 0.000 0.900 1053 Q CB 1.536 30.227 28.738 -0.080 0.000 1.229 1053 Q HN 0.087 nan 8.270 nan 0.000 0.439 1054 P HA -0.019 nan 4.420 nan 0.000 0.240 1054 P C -0.127 177.100 177.300 -0.121 0.000 1.190 1054 P CA 0.660 63.626 63.100 -0.223 0.000 0.781 1054 P CB 0.576 31.951 31.700 -0.543 0.000 0.931 1055 T N -3.338 111.144 114.554 -0.119 0.000 2.903 1055 T HA 0.501 4.848 4.350 -0.005 0.000 0.299 1055 T C -0.458 174.171 174.700 -0.119 0.000 1.093 1055 T CA -1.013 61.031 62.100 -0.092 0.000 1.002 1055 T CB 1.974 70.790 68.868 -0.087 0.000 1.127 1055 T HN -0.213 nan 8.240 nan 0.000 0.488 1056 R N 0.726 121.153 120.500 -0.122 0.000 2.389 1056 R HA 0.626 4.963 4.340 -0.005 0.000 0.295 1056 R C -0.280 175.855 176.300 -0.276 0.000 1.075 1056 R CA -0.184 55.786 56.100 -0.216 0.000 1.005 1056 R CB 0.647 30.844 30.300 -0.172 0.000 0.987 1056 R HN 0.880 nan 8.270 nan 0.000 0.452 1057 A N 4.374 127.023 122.820 -0.284 0.000 2.304 1057 A HA 0.426 4.743 4.320 -0.005 0.000 0.314 1057 A C -1.485 176.146 177.584 0.078 0.000 1.187 1057 A CA -0.556 51.514 52.037 0.053 0.000 0.810 1057 A CB 0.606 19.666 19.000 0.098 0.000 1.183 1057 A HN 0.723 nan 8.150 nan 0.000 0.487 1058 Y N 1.466 122.144 120.300 0.630 0.000 2.402 1058 Y HA 0.501 5.048 4.550 -0.005 0.000 0.332 1058 Y C 1.027 177.145 175.900 0.364 0.000 0.960 1058 Y CA -0.498 57.863 58.100 0.435 0.000 1.228 1058 Y CB 1.969 40.663 38.460 0.389 0.000 1.120 1058 Y HN 0.749 nan 8.280 nan 0.000 0.491 1059 G N 3.306 112.373 108.800 0.446 0.000 2.404 1059 G HA2 0.336 4.293 3.960 -0.005 0.000 0.316 1059 G HA3 0.336 4.293 3.960 -0.005 0.000 0.316 1059 G C -1.167 173.725 174.900 -0.013 0.000 1.074 1059 G CA -0.204 44.934 45.100 0.064 0.000 0.989 1059 G HN 0.420 nan 8.290 nan 0.000 0.430 1060 Y N 1.512 121.749 120.300 -0.105 0.000 2.307 1060 Y HA 0.371 4.918 4.550 -0.005 0.000 0.324 1060 Y C 1.404 177.287 175.900 -0.029 0.000 1.238 1060 Y CA -0.636 57.414 58.100 -0.083 0.000 1.280 1060 Y CB 1.504 39.875 38.460 -0.149 0.000 1.248 1060 Y HN 0.607 nan 8.280 nan 0.000 0.508 1061 S N 0.944 116.684 115.700 0.068 0.000 2.572 1061 S HA 0.652 5.119 4.470 -0.005 0.000 0.279 1061 S C 0.246 174.949 174.600 0.172 0.000 1.341 1061 S CA 0.045 58.267 58.200 0.036 0.000 1.043 1061 S CB 0.629 63.788 63.200 -0.068 0.000 0.887 1061 S HN 1.375 nan 8.310 nan 0.000 0.516 1062 G N 0.142 109.046 108.800 0.175 0.000 2.428 1062 G HA2 0.131 4.088 3.960 -0.005 0.000 0.681 1062 G HA3 0.131 4.088 3.960 -0.005 0.000 0.681 1062 G C -1.007 173.735 174.900 -0.264 0.000 1.340 1062 G CA -0.684 44.345 45.100 -0.119 0.000 0.915 1062 G HN 1.188 nan 8.290 nan 0.000 0.645 1063 V N 1.077 120.564 119.914 -0.711 0.000 2.529 1063 V HA 0.464 4.581 4.120 -0.005 0.000 0.292 1063 V C 0.835 176.624 176.094 -0.508 0.000 1.028 1063 V CA 0.449 62.366 62.300 -0.640 0.000 1.074 1063 V CB 1.171 32.596 31.823 -0.664 0.000 0.958 1063 V HN 0.829 nan 8.190 nan 0.000 0.481 1064 S N 5.597 121.206 115.700 -0.152 0.000 2.478 1064 S HA 0.562 5.029 4.470 -0.005 0.000 0.312 1064 S C -0.552 174.052 174.600 0.006 0.000 1.094 1064 S CA -0.473 57.710 58.200 -0.029 0.000 1.081 1064 S CB 1.186 64.464 63.200 0.130 0.000 1.007 1064 S HN 0.628 nan 8.310 nan 0.000 0.475 1065 L N 4.560 125.851 121.223 0.114 0.000 2.282 1065 L HA 0.588 4.925 4.340 -0.005 0.000 0.288 1065 L C -0.816 176.101 176.870 0.078 0.000 1.033 1065 L CA -0.237 54.685 54.840 0.137 0.000 0.807 1065 L CB 0.737 42.967 42.059 0.284 0.000 1.209 1065 L HN 0.582 nan 8.230 nan 0.000 0.423 1066 K N 3.688 124.094 120.400 0.010 0.000 2.477 1066 K HA 0.499 4.816 4.320 -0.005 0.000 0.255 1066 K C -1.656 174.891 176.600 -0.089 0.000 0.952 1066 K CA -0.714 55.544 56.287 -0.048 0.000 0.826 1066 K CB 3.177 35.603 32.500 -0.124 0.000 1.331 1066 K HN 0.310 nan 8.250 nan 0.000 0.437 1067 V N 2.879 122.708 119.914 -0.143 0.000 2.378 1067 V HA 0.302 4.419 4.120 -0.005 0.000 0.288 1067 V C -0.953 174.925 176.094 -0.361 0.000 1.016 1067 V CA -0.667 61.443 62.300 -0.318 0.000 0.840 1067 V CB 1.569 33.205 31.823 -0.312 0.000 0.994 1067 V HN 0.495 nan 8.190 nan 0.000 0.431 1068 V N 6.634 126.212 119.914 -0.560 0.000 2.455 1068 V HA 0.402 4.519 4.120 -0.005 0.000 0.273 1068 V C 0.236 176.125 176.094 -0.342 0.000 1.045 1068 V CA -0.186 61.767 62.300 -0.578 0.000 0.976 1068 V CB 1.306 32.412 31.823 -1.197 0.000 0.993 1068 V HN 0.917 nan 8.190 nan 0.000 0.475 1069 N N 3.273 121.845 118.700 -0.214 0.000 2.750 1069 N HA 0.150 4.887 4.740 -0.005 0.000 0.253 1069 N C -0.664 174.786 175.510 -0.101 0.000 1.408 1069 N CA -0.075 52.910 53.050 -0.110 0.000 0.780 1069 N CB 1.438 39.853 38.487 -0.119 0.000 1.191 1069 N HN 0.581 nan 8.380 nan 0.000 0.511 1070 S N 0.787 116.426 115.700 -0.101 0.000 2.475 1070 S HA 0.242 4.709 4.470 -0.005 0.000 0.281 1070 S C 1.445 176.009 174.600 -0.060 0.000 1.198 1070 S CA -0.163 57.991 58.200 -0.077 0.000 1.063 1070 S CB 0.531 63.692 63.200 -0.065 0.000 0.972 1070 S HN 0.492 nan 8.310 nan 0.000 0.486 1071 T N 1.155 115.671 114.554 -0.064 0.000 3.055 1071 T HA -0.034 4.313 4.350 -0.005 0.000 0.265 1071 T C 1.546 176.206 174.700 -0.067 0.000 1.111 1071 T CA 1.177 63.239 62.100 -0.064 0.000 1.118 1071 T CB -0.611 68.213 68.868 -0.072 0.000 0.909 1071 T HN 0.727 nan 8.240 nan 0.000 0.501 1072 T N -1.982 112.530 114.554 -0.069 0.000 3.034 1072 T HA 0.530 4.877 4.350 -0.005 0.000 0.248 1072 T C 1.475 176.164 174.700 -0.018 0.000 1.040 1072 T CA 0.344 62.408 62.100 -0.060 0.000 1.107 1072 T CB -0.430 68.386 68.868 -0.086 0.000 0.932 1072 T HN 1.006 nan 8.240 nan 0.000 0.474 1073 G N 1.930 110.725 108.800 -0.008 0.000 2.681 1073 G HA2 -0.096 3.861 3.960 -0.005 0.000 0.220 1073 G HA3 -0.096 3.861 3.960 -0.005 0.000 0.220 1073 G C 0.011 174.934 174.900 0.038 0.000 1.353 1073 G CA -0.268 44.839 45.100 0.013 0.000 0.872 1073 G HN 1.233 nan 8.290 nan 0.000 0.557 1074 T N -0.852 113.731 114.554 0.049 0.000 2.946 1074 T HA 0.602 4.949 4.350 -0.005 0.000 0.311 1074 T C 1.182 175.913 174.700 0.051 0.000 1.063 1074 T CA 1.251 63.384 62.100 0.055 0.000 1.139 1074 T CB 1.215 70.114 68.868 0.052 0.000 0.994 1074 T HN 2.718 nan 8.240 nan 0.000 0.547 1075 G N 2.028 110.856 108.800 0.047 0.000 2.340 1075 G HA2 0.111 4.068 3.960 -0.005 0.000 0.282 1075 G HA3 0.111 4.068 3.960 -0.005 0.000 0.282 1075 G C 0.241 175.160 174.900 0.033 0.000 1.312 1075 G CA 0.020 45.149 45.100 0.049 0.000 0.942 1075 G HN 0.808 nan 8.290 nan 0.000 0.495 1076 E N -0.696 119.513 120.200 0.016 0.000 2.150 1076 E HA -0.140 4.207 4.350 -0.005 0.000 0.193 1076 E C 1.697 178.235 176.600 -0.103 0.000 0.985 1076 E CA 1.778 58.142 56.400 -0.061 0.000 0.814 1076 E CB -0.205 29.426 29.700 -0.114 0.000 0.752 1076 E HN 0.654 nan 8.360 nan 0.000 0.466 1077 H N 0.219 119.281 119.070 -0.014 0.000 2.357 1077 H HA -0.030 4.523 4.556 -0.005 0.000 0.301 1077 H C 1.943 177.257 175.328 -0.023 0.000 1.082 1077 H CA 1.543 57.578 56.048 -0.022 0.000 1.342 1077 H CB 0.049 29.799 29.762 -0.021 0.000 1.389 1077 H HN 0.142 nan 8.280 nan 0.000 0.511 1078 L N 0.694 121.981 121.223 0.107 0.000 2.072 1078 L HA -0.050 4.287 4.340 -0.005 0.000 0.205 1078 L C 2.460 179.353 176.870 0.038 0.000 1.079 1078 L CA 1.336 56.209 54.840 0.056 0.000 0.752 1078 L CB -0.476 41.615 42.059 0.053 0.000 0.906 1078 L HN 0.086 nan 8.230 nan 0.000 0.436 1079 R N -0.217 120.285 120.500 0.003 0.000 2.122 1079 R HA -0.272 4.065 4.340 -0.005 0.000 0.236 1079 R C 2.042 178.334 176.300 -0.013 0.000 1.129 1079 R CA 2.497 58.570 56.100 -0.046 0.000 0.925 1079 R CB -0.552 29.688 30.300 -0.099 0.000 0.850 1079 R HN 0.422 nan 8.270 nan 0.000 0.431 1080 N N 0.333 118.970 118.700 -0.105 0.000 2.061 1080 N HA -0.176 4.561 4.740 -0.005 0.000 0.193 1080 N C 1.668 177.201 175.510 0.038 0.000 1.030 1080 N CA 1.928 54.897 53.050 -0.135 0.000 0.856 1080 N CB -0.483 37.930 38.487 -0.123 0.000 1.023 1080 N HN 0.453 nan 8.380 nan 0.000 0.424 1081 A N 0.505 123.354 122.820 0.048 0.000 1.978 1081 A HA -0.104 4.213 4.320 -0.005 0.000 0.220 1081 A C 2.208 179.865 177.584 0.122 0.000 1.170 1081 A CA 1.094 53.180 52.037 0.083 0.000 0.636 1081 A CB -0.760 18.263 19.000 0.038 0.000 0.810 1081 A HN 0.260 nan 8.150 nan 0.000 0.448 1082 L N -1.986 119.318 121.223 0.135 0.000 2.093 1082 L HA -0.159 4.178 4.340 -0.005 0.000 0.208 1082 L C 2.592 179.544 176.870 0.137 0.000 1.085 1082 L CA 1.118 56.042 54.840 0.141 0.000 0.755 1082 L CB -0.373 41.838 42.059 0.254 0.000 0.904 1082 L HN 0.782 nan 8.230 nan 0.000 0.435 1083 W N 0.481 121.789 121.300 0.013 0.000 2.436 1083 W HA -0.133 4.524 4.660 -0.005 0.000 0.284 1083 W C 0.840 177.393 176.519 0.056 0.000 1.225 1083 W CA 0.659 57.941 57.345 -0.106 0.000 1.271 1083 W CB -0.184 29.088 29.460 -0.313 0.000 1.114 1083 W HN 0.132 nan 8.180 nan 0.000 0.559 1084 H N 1.330 120.553 119.070 0.255 0.000 2.848 1084 H HA 0.099 4.652 4.556 -0.005 0.000 0.317 1084 H C -0.420 174.969 175.328 0.102 0.000 1.046 1084 H CA 0.810 56.988 56.048 0.217 0.000 1.470 1084 H CB 0.908 30.761 29.762 0.151 0.000 1.483 1084 H HN -0.339 nan 8.280 nan 0.000 0.548 1085 T N 5.134 119.453 114.554 -0.391 0.000 2.775 1085 T HA 0.489 4.836 4.350 -0.005 0.000 0.287 1085 T C 0.482 174.829 174.700 -0.587 0.000 0.909 1085 T CA 0.456 62.295 62.100 -0.434 0.000 1.081 1085 T CB -0.121 68.475 68.868 -0.453 0.000 0.891 1085 T HN 0.952 nan 8.240 nan 0.000 0.544 1086 G N 3.667 112.302 108.800 -0.275 0.000 2.320 1086 G HA2 0.033 3.990 3.960 -0.005 0.000 0.274 1086 G HA3 0.033 3.990 3.960 -0.005 0.000 0.274 1086 G C -1.687 173.263 174.900 0.084 0.000 1.324 1086 G CA -1.123 43.918 45.100 -0.098 0.000 0.957 1086 G HN 0.497 nan 8.290 nan 0.000 0.481 1087 N N 0.208 118.976 118.700 0.113 0.000 2.473 1087 N HA 0.717 5.454 4.740 -0.005 0.000 0.291 1087 N C -0.732 174.834 175.510 0.093 0.000 1.083 1087 N CA 0.009 53.105 53.050 0.076 0.000 0.951 1087 N CB 1.674 40.179 38.487 0.030 0.000 1.164 1087 N HN 0.550 nan 8.380 nan 0.000 0.480 1088 T N 2.275 116.855 114.554 0.042 0.000 2.930 1088 T HA 0.365 4.712 4.350 -0.005 0.000 0.313 1088 T C -2.680 172.013 174.700 -0.011 0.000 1.019 1088 T CA -1.137 60.966 62.100 0.005 0.000 1.004 1088 T CB 1.683 70.552 68.868 0.002 0.000 0.987 1088 T HN 0.203 nan 8.240 nan 0.000 0.456 1089 P HA 0.213 nan 4.420 nan 0.000 0.262 1089 P C 1.116 178.397 177.300 -0.032 0.000 1.182 1089 P CA 0.932 64.018 63.100 -0.023 0.000 0.761 1089 P CB 0.283 31.972 31.700 -0.019 0.000 0.795 1090 G N 1.371 110.145 108.800 -0.043 0.000 2.155 1090 G HA2 -0.291 3.666 3.960 -0.005 0.000 0.257 1090 G HA3 -0.291 3.666 3.960 -0.005 0.000 0.257 1090 G C 0.597 175.463 174.900 -0.057 0.000 0.983 1090 G CA 0.822 45.889 45.100 -0.054 0.000 0.676 1090 G HN 0.536 nan 8.290 nan 0.000 0.528 1091 Q N -1.780 117.988 119.800 -0.053 0.000 1.810 1091 Q HA 0.610 4.947 4.340 -0.005 0.000 0.150 1091 Q C 0.443 176.389 176.000 -0.091 0.000 0.456 1091 Q CA 0.907 56.677 55.803 -0.055 0.000 0.727 1091 Q CB 0.816 29.544 28.738 -0.016 0.000 0.890 1091 Q HN 0.556 nan 8.270 nan 0.000 0.301 1092 V N 1.237 121.109 119.914 -0.070 0.000 2.735 1092 V HA 0.601 4.718 4.120 -0.005 0.000 0.310 1092 V C -0.942 175.114 176.094 -0.063 0.000 1.061 1092 V CA -0.793 61.449 62.300 -0.097 0.000 0.913 1092 V CB 1.985 33.762 31.823 -0.077 0.000 1.005 1092 V HN 0.295 nan 8.190 nan 0.000 0.428 1093 R N 1.766 122.216 120.500 -0.083 0.000 2.393 1093 R HA 0.525 4.862 4.340 -0.005 0.000 0.315 1093 R C -0.682 175.596 176.300 -0.037 0.000 0.952 1093 R CA -0.351 55.721 56.100 -0.047 0.000 0.842 1093 R CB 1.557 31.826 30.300 -0.051 0.000 1.163 1093 R HN 0.779 nan 8.270 nan 0.000 0.450 1094 T N 5.716 120.259 114.554 -0.019 0.000 2.761 1094 T HA 0.167 4.514 4.350 -0.005 0.000 0.296 1094 T C 1.315 176.035 174.700 0.033 0.000 0.934 1094 T CA -0.155 61.939 62.100 -0.009 0.000 1.091 1094 T CB 0.808 69.648 68.868 -0.047 0.000 0.896 1094 T HN 0.542 nan 8.240 nan 0.000 0.515 1095 L N 2.111 123.385 121.223 0.083 0.000 2.298 1095 L HA 0.368 4.705 4.340 -0.005 0.000 0.209 1095 L C 0.315 177.323 176.870 0.231 0.000 1.084 1095 L CA 0.235 55.155 54.840 0.135 0.000 0.816 1095 L CB 0.276 42.426 42.059 0.151 0.000 0.967 1095 L HN 0.637 nan 8.230 nan 0.000 0.460 1096 W N -1.003 120.298 121.300 0.002 0.000 3.248 1096 W HA 0.443 5.099 4.660 -0.005 0.000 0.311 1096 W C -1.446 175.096 176.519 0.038 0.000 1.258 1096 W CA -0.825 56.521 57.345 0.001 0.000 1.191 1096 W CB 0.905 30.344 29.460 -0.035 0.000 1.389 1096 W HN -0.093 nan 8.180 nan 0.000 0.561 1097 H N 2.832 121.224 119.070 -1.129 0.000 3.042 1097 H HA 0.244 4.797 4.556 -0.005 0.000 0.345 1097 H C -1.014 173.424 175.328 -1.484 0.000 1.052 1097 H CA -0.614 54.710 56.048 -1.206 0.000 1.311 1097 H CB 1.503 30.928 29.762 -0.560 0.000 1.810 1097 H HN 0.349 nan 8.280 nan 0.000 0.505 1098 D N 6.393 125.632 120.400 -1.935 0.000 2.554 1098 D HA -0.032 4.605 4.640 -0.005 0.000 0.251 1098 D C -1.414 174.576 176.300 -0.516 0.000 1.213 1098 D CA -1.312 52.093 54.000 -0.992 0.000 0.900 1098 D CB 1.158 41.536 40.800 -0.703 0.000 1.135 1098 D HN 0.424 nan 8.370 nan 0.000 0.522 1099 P HA -0.098 nan 4.420 nan 0.000 0.223 1099 P C 0.914 178.188 177.300 -0.044 0.000 1.151 1099 P CA 0.784 63.835 63.100 -0.082 0.000 0.787 1099 P CB 0.252 31.930 31.700 -0.037 0.000 0.788 1100 R N -0.783 119.684 120.500 -0.054 0.000 2.189 1100 R HA 0.035 4.372 4.340 -0.005 0.000 0.218 1100 R C 0.336 176.628 176.300 -0.013 0.000 1.074 1100 R CA 0.268 56.356 56.100 -0.020 0.000 0.991 1100 R CB -0.662 29.633 30.300 -0.007 0.000 0.883 1100 R HN 0.037 nan 8.270 nan 0.000 0.457 1101 N N 0.005 118.673 118.700 -0.054 0.000 2.776 1101 N HA -0.161 4.576 4.740 -0.005 0.000 0.249 1101 N C -1.013 174.505 175.510 0.014 0.000 1.111 1101 N CA 0.810 53.867 53.050 0.013 0.000 0.711 1101 N CB -1.440 37.124 38.487 0.129 0.000 1.065 1101 N HN 0.234 nan 8.380 nan 0.000 0.556 1102 I N 0.684 121.252 120.570 -0.003 0.000 2.452 1102 I HA 0.218 4.385 4.170 -0.005 0.000 0.287 1102 I C 1.579 177.818 176.117 0.202 0.000 1.079 1102 I CA -0.059 61.285 61.300 0.072 0.000 1.387 1102 I CB 0.805 38.855 38.000 0.083 0.000 1.404 1102 I HN 0.138 nan 8.210 nan 0.000 0.522 1103 G N 7.202 116.057 108.800 0.091 0.000 2.448 1103 G HA2 0.210 4.167 3.960 -0.005 0.000 0.285 1103 G HA3 0.210 4.167 3.960 -0.005 0.000 0.285 1103 G C -0.314 174.512 174.900 -0.122 0.000 1.176 1103 G CA -0.644 44.414 45.100 -0.069 0.000 0.852 1103 G HN 0.757 nan 8.290 nan 0.000 0.530 1104 W N 0.667 121.534 121.300 -0.721 0.000 2.148 1104 W HA 0.410 5.067 4.660 -0.005 0.000 0.347 1104 W C -0.475 175.904 176.519 -0.233 0.000 1.288 1104 W CA -0.622 56.196 57.345 -0.880 0.000 1.252 1104 W CB 0.242 28.730 29.460 -1.620 0.000 1.156 1104 W HN 0.221 nan 8.180 nan 0.000 0.580 1105 K N 1.682 122.307 120.400 0.374 0.000 2.118 1105 K HA 0.129 4.446 4.320 -0.005 0.000 0.254 1105 K C -0.255 176.518 176.600 0.287 0.000 0.961 1105 K CA -0.980 55.435 56.287 0.215 0.000 0.876 1105 K CB 0.957 33.559 32.500 0.171 0.000 1.077 1105 K HN 0.241 nan 8.250 nan 0.000 0.440 1106 D N 1.171 121.653 120.400 0.137 0.000 2.506 1106 D HA -0.078 4.559 4.640 -0.005 0.000 0.234 1106 D C -0.131 176.117 176.300 -0.087 0.000 1.143 1106 D CA 0.813 54.798 54.000 -0.025 0.000 0.871 1106 D CB 0.049 40.817 40.800 -0.054 0.000 1.190 1106 D HN 0.458 nan 8.370 nan 0.000 0.459 1107 Y N -1.311 118.770 120.300 -0.365 0.000 3.589 1107 Y HA -0.260 4.287 4.550 -0.005 0.000 0.218 1107 Y C 0.181 175.778 175.900 -0.505 0.000 1.234 1107 Y CA 0.669 58.433 58.100 -0.560 0.000 1.576 1107 Y CB -2.235 36.124 38.460 -0.167 0.000 1.487 1107 Y HN 0.156 nan 8.280 nan 0.000 0.616 1108 T N -0.124 114.117 114.554 -0.521 0.000 2.881 1108 T HA 0.774 5.121 4.350 -0.005 0.000 0.291 1108 T C 0.114 174.731 174.700 -0.138 0.000 0.990 1108 T CA -0.180 61.798 62.100 -0.204 0.000 0.976 1108 T CB 1.473 70.243 68.868 -0.162 0.000 0.970 1108 T HN 0.461 nan 8.240 nan 0.000 0.438 1109 A N 3.765 126.655 122.820 0.116 0.000 2.451 1109 A HA 0.627 4.944 4.320 -0.005 0.000 0.266 1109 A C -0.959 176.579 177.584 -0.076 0.000 1.119 1109 A CA 0.035 52.195 52.037 0.206 0.000 0.786 1109 A CB -0.278 18.822 19.000 0.166 0.000 1.061 1109 A HN 0.805 nan 8.150 nan 0.000 0.503 1110 Y N 0.712 121.259 120.300 0.412 0.000 2.598 1110 Y HA 0.712 5.259 4.550 -0.005 0.000 0.340 1110 Y C 0.392 176.504 175.900 0.354 0.000 1.038 1110 Y CA -0.830 57.523 58.100 0.421 0.000 1.100 1110 Y CB 2.007 40.825 38.460 0.597 0.000 1.281 1110 Y HN 0.712 nan 8.280 nan 0.000 0.488 1111 R N 1.573 122.356 120.500 0.471 0.000 2.476 1111 R HA 0.357 4.694 4.340 -0.005 0.000 0.305 1111 R C -1.964 174.533 176.300 0.328 0.000 0.965 1111 R CA -0.735 55.509 56.100 0.240 0.000 0.867 1111 R CB 0.626 30.970 30.300 0.073 0.000 1.176 1111 R HN 0.676 nan 8.270 nan 0.000 0.447 1112 W N 3.987 125.417 121.300 0.217 0.000 2.375 1112 W HA 0.503 5.160 4.660 -0.005 0.000 0.336 1112 W C -0.951 175.625 176.519 0.095 0.000 1.160 1112 W CA -0.745 56.694 57.345 0.158 0.000 1.266 1112 W CB 0.727 30.310 29.460 0.205 0.000 1.195 1112 W HN 0.467 nan 8.180 nan 0.000 0.599 1113 H N 4.479 123.699 119.070 0.250 0.000 2.906 1113 H HA 0.357 4.910 4.556 -0.005 0.000 0.324 1113 H C -1.623 173.795 175.328 0.149 0.000 0.973 1113 H CA -0.955 55.159 56.048 0.111 0.000 1.321 1113 H CB 1.770 31.565 29.762 0.056 0.000 1.535 1113 H HN 0.704 nan 8.280 nan 0.000 0.518 1114 L N 5.134 126.244 121.223 -0.187 0.000 2.276 1114 L HA 0.337 4.674 4.340 -0.005 0.000 0.286 1114 L C -0.584 176.056 176.870 -0.383 0.000 1.061 1114 L CA 0.040 54.746 54.840 -0.224 0.000 0.807 1114 L CB 1.312 43.250 42.059 -0.203 0.000 1.177 1114 L HN 0.490 nan 8.230 nan 0.000 0.429 1115 T N 4.764 119.186 114.554 -0.220 0.000 2.758 1115 T HA 0.319 4.666 4.350 -0.005 0.000 0.285 1115 T C -1.020 173.638 174.700 -0.069 0.000 0.981 1115 T CA -0.140 61.914 62.100 -0.076 0.000 0.965 1115 T CB 0.109 69.063 68.868 0.142 0.000 0.927 1115 T HN 0.621 nan 8.240 nan 0.000 0.448 1116 H N 3.281 122.250 119.070 -0.168 0.000 2.658 1116 H HA 0.398 4.951 4.556 -0.005 0.000 0.337 1116 H C -0.698 174.644 175.328 0.025 0.000 1.009 1116 H CA -1.110 54.853 56.048 -0.140 0.000 1.231 1116 H CB 0.684 30.297 29.762 -0.247 0.000 1.508 1116 H HN 0.284 nan 8.280 nan 0.000 0.517 1117 R N 6.271 126.734 120.500 -0.061 0.000 2.477 1117 R HA 0.174 4.511 4.340 -0.005 0.000 0.285 1117 R C -2.247 173.953 176.300 -0.166 0.000 1.415 1117 R CA -1.982 54.050 56.100 -0.114 0.000 1.446 1117 R CB 1.197 31.514 30.300 0.028 0.000 1.110 1117 R HN 0.613 nan 8.270 nan 0.000 0.590 1118 P HA -0.188 nan 4.420 nan 0.000 0.217 1118 P C 1.025 178.352 177.300 0.045 0.000 1.148 1118 P CA 1.079 64.097 63.100 -0.137 0.000 0.828 1118 P CB 0.557 32.203 31.700 -0.091 0.000 0.783 1119 K N -0.230 120.190 120.400 0.033 0.000 2.113 1119 K HA -0.137 4.180 4.320 -0.005 0.000 0.208 1119 K C 2.008 178.673 176.600 0.108 0.000 1.047 1119 K CA 2.399 58.730 56.287 0.073 0.000 0.928 1119 K CB -0.575 31.959 32.500 0.057 0.000 0.716 1119 K HN 0.330 nan 8.250 nan 0.000 0.446 1120 T N -5.757 108.882 114.554 0.140 0.000 3.000 1120 T HA 0.254 4.601 4.350 -0.005 0.000 0.248 1120 T C 1.331 176.220 174.700 0.315 0.000 1.034 1120 T CA 0.340 62.577 62.100 0.229 0.000 1.060 1120 T CB 0.808 69.853 68.868 0.296 0.000 0.983 1120 T HN 0.240 nan 8.240 nan 0.000 0.482 1121 G N 0.747 109.689 108.800 0.238 0.000 2.159 1121 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.227 1121 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.227 1121 G C -0.153 174.786 174.900 0.065 0.000 0.986 1121 G CA -0.104 45.138 45.100 0.236 0.000 0.651 1121 G HN 0.763 nan 8.290 nan 0.000 0.523 1122 Y N 1.001 121.176 120.300 -0.208 0.000 2.526 1122 Y HA 0.544 5.091 4.550 -0.005 0.000 0.330 1122 Y C 0.509 176.264 175.900 -0.240 0.000 1.156 1122 Y CA 0.157 57.919 58.100 -0.564 0.000 1.419 1122 Y CB 0.261 38.485 38.460 -0.393 0.000 1.250 1122 Y HN 0.208 nan 8.280 nan 0.000 0.540 1123 I N 7.221 127.318 120.570 -0.790 0.000 2.533 1123 I HA 0.460 4.627 4.170 -0.005 0.000 0.290 1123 I C -0.907 174.715 176.117 -0.826 0.000 1.056 1123 I CA -0.976 59.971 61.300 -0.588 0.000 1.057 1123 I CB 2.246 40.041 38.000 -0.342 0.000 1.240 1123 I HN 0.532 nan 8.210 nan 0.000 0.423 1124 R N 4.899 125.051 120.500 -0.580 0.000 2.538 1124 R HA 0.690 5.027 4.340 -0.005 0.000 0.292 1124 R C -2.084 174.069 176.300 -0.245 0.000 1.008 1124 R CA -0.455 55.386 56.100 -0.431 0.000 0.896 1124 R CB 1.946 32.081 30.300 -0.275 0.000 1.187 1124 R HN 0.419 nan 8.270 nan 0.000 0.440 1125 V N 6.550 126.303 119.914 -0.268 0.000 2.334 1125 V HA 0.420 4.537 4.120 -0.005 0.000 0.281 1125 V C -0.309 175.710 176.094 -0.125 0.000 1.016 1125 V CA -0.681 61.541 62.300 -0.131 0.000 0.832 1125 V CB 1.251 33.003 31.823 -0.119 0.000 0.999 1125 V HN 0.619 nan 8.190 nan 0.000 0.439 1126 L N 5.362 126.612 121.223 0.046 0.000 2.317 1126 L HA 0.746 5.083 4.340 -0.005 0.000 0.281 1126 L C -0.562 176.402 176.870 0.156 0.000 1.024 1126 L CA -0.816 54.060 54.840 0.060 0.000 0.810 1126 L CB 1.940 44.085 42.059 0.143 0.000 1.240 1126 L HN 0.322 nan 8.230 nan 0.000 0.427 1127 V N 1.582 121.527 119.914 0.052 0.000 2.604 1127 V HA 0.435 4.552 4.120 -0.005 0.000 0.305 1127 V C -0.469 175.678 176.094 0.087 0.000 1.043 1127 V CA -0.640 61.727 62.300 0.112 0.000 0.888 1127 V CB 1.910 33.658 31.823 -0.125 0.000 0.995 1127 V HN 0.623 nan 8.190 nan 0.000 0.429 1128 H N 2.853 122.050 119.070 0.211 0.000 2.469 1128 H HA 0.442 4.995 4.556 -0.005 0.000 0.342 1128 H C -0.728 174.819 175.328 0.365 0.000 1.115 1128 H CA -0.448 55.727 56.048 0.213 0.000 1.204 1128 H CB 2.579 32.424 29.762 0.138 0.000 1.492 1128 H HN 0.710 nan 8.280 nan 0.000 0.499 1129 E N 2.111 122.550 120.200 0.399 0.000 2.113 1129 E HA 0.354 4.701 4.350 -0.005 0.000 0.273 1129 E C 0.698 177.392 176.600 0.157 0.000 0.924 1129 E CA -0.114 56.467 56.400 0.301 0.000 0.764 1129 E CB 0.781 30.676 29.700 0.324 0.000 1.104 1129 E HN 0.919 nan 8.360 nan 0.000 0.406 1130 G N 5.439 114.284 108.800 0.075 0.000 2.665 1130 G HA2 -0.450 3.507 3.960 -0.005 0.000 0.326 1130 G HA3 -0.450 3.507 3.960 -0.005 0.000 0.326 1130 G C 0.697 175.629 174.900 0.054 0.000 1.231 1130 G CA 0.911 46.025 45.100 0.023 0.000 0.992 1130 G HN 0.674 nan 8.290 nan 0.000 0.549 1131 K N 0.797 121.214 120.400 0.029 0.000 2.356 1131 K HA 0.196 4.513 4.320 -0.005 0.000 0.195 1131 K C 0.895 177.644 176.600 0.248 0.000 1.037 1131 K CA 0.606 56.938 56.287 0.074 0.000 1.014 1131 K CB 0.328 32.807 32.500 -0.035 0.000 0.815 1131 K HN 0.606 nan 8.250 nan 0.000 0.507 1132 Q N 1.973 121.888 119.800 0.191 0.000 2.278 1132 Q HA 0.273 4.610 4.340 -0.005 0.000 0.257 1132 Q C -0.101 175.912 176.000 0.022 0.000 0.928 1132 Q CA -0.612 55.267 55.803 0.128 0.000 0.932 1132 Q CB 2.057 30.843 28.738 0.079 0.000 1.221 1132 Q HN -0.141 nan 8.270 nan 0.000 0.434 1136 D N 1.308 121.640 120.400 -0.114 0.000 2.763 1136 D HA 0.411 5.048 4.640 -0.005 0.000 0.235 1136 D C 1.114 177.050 176.300 -0.606 0.000 1.334 1136 D CA 0.428 54.257 54.000 -0.285 0.000 0.950 1136 D CB 1.933 42.634 40.800 -0.166 0.000 1.433 1136 D HN 0.601 nan 8.370 nan 0.000 0.580 1137 S N 1.990 116.998 115.700 -1.152 0.000 2.469 1137 S HA 0.203 4.670 4.470 -0.005 0.000 0.238 1137 S C 1.338 175.404 174.600 -0.889 0.000 0.998 1137 S CA 0.676 57.743 58.200 -1.889 0.000 0.957 1137 S CB -0.592 61.630 63.200 -1.630 0.000 0.764 1137 S HN 1.056 nan 8.310 nan 0.000 0.514 1138 G N 1.501 110.003 108.800 -0.497 0.000 2.804 1138 G HA2 -0.153 3.804 3.960 -0.005 0.000 0.230 1138 G HA3 -0.153 3.804 3.960 -0.005 0.000 0.230 1138 G C -3.118 171.596 174.900 -0.309 0.000 1.386 1138 G CA -0.632 44.304 45.100 -0.272 0.000 0.875 1138 G HN 0.427 nan 8.290 nan 0.000 0.557 1139 P HA 0.407 nan 4.420 nan 0.000 0.267 1139 P C 0.064 177.217 177.300 -0.245 0.000 1.205 1139 P CA 0.017 62.960 63.100 -0.262 0.000 0.765 1139 P CB 0.501 32.288 31.700 0.145 0.000 0.828 1140 I N 3.497 123.785 120.570 -0.469 0.000 2.740 1140 I HA 0.370 4.537 4.170 -0.005 0.000 0.303 1140 I C -0.541 175.363 176.117 -0.356 0.000 1.044 1140 I CA -0.763 60.393 61.300 -0.241 0.000 1.064 1140 I CB 1.820 39.686 38.000 -0.222 0.000 1.249 1140 I HN 0.321 nan 8.210 nan 0.000 0.433 1141 Y N 2.339 122.629 120.300 -0.016 0.000 2.346 1141 Y HA 0.442 4.989 4.550 -0.005 0.000 0.332 1141 Y C -0.303 175.639 175.900 0.068 0.000 0.985 1141 Y CA -0.617 57.508 58.100 0.042 0.000 1.112 1141 Y CB 1.733 40.233 38.460 0.066 0.000 1.170 1141 Y HN 0.399 nan 8.280 nan 0.000 0.447 1142 D N 3.008 123.528 120.400 0.200 0.000 2.861 1142 D HA 0.159 4.796 4.640 -0.005 0.000 0.216 1142 D C -1.030 175.423 176.300 0.254 0.000 1.323 1142 D CA -0.344 53.783 54.000 0.212 0.000 0.917 1142 D CB 1.729 42.678 40.800 0.249 0.000 1.582 1142 D HN 0.732 nan 8.370 nan 0.000 0.576 1143 Q N 2.118 122.032 119.800 0.191 0.000 2.211 1143 Q HA 0.163 4.500 4.340 -0.005 0.000 0.301 1143 Q C 0.991 177.030 176.000 0.066 0.000 0.884 1143 Q CA -0.179 55.729 55.803 0.175 0.000 1.115 1143 Q CB 0.965 29.787 28.738 0.141 0.000 1.217 1143 Q HN 0.426 nan 8.270 nan 0.000 0.451 1144 T N -0.245 114.291 114.554 -0.030 0.000 2.708 1144 T HA -0.114 4.233 4.350 -0.005 0.000 0.266 1144 T C 0.084 174.443 174.700 -0.570 0.000 1.037 1144 T CA 1.439 63.264 62.100 -0.457 0.000 1.146 1144 T CB -0.030 68.323 68.868 -0.858 0.000 0.865 1144 T HN 0.285 nan 8.240 nan 0.000 0.435 1145 Y N -0.870 119.532 120.300 0.170 0.000 2.373 1145 Y HA 0.603 5.150 4.550 -0.005 0.000 0.336 1145 Y C 0.314 176.417 175.900 0.338 0.000 0.979 1145 Y CA -1.323 56.886 58.100 0.181 0.000 1.080 1145 Y CB 1.659 40.159 38.460 0.067 0.000 1.190 1145 Y HN -0.041 nan 8.280 nan 0.000 0.446 1146 A N 2.884 125.929 122.820 0.375 0.000 2.476 1146 A HA 0.644 4.961 4.320 -0.005 0.000 0.263 1146 A C 0.820 178.571 177.584 0.280 0.000 1.342 1146 A CA 0.558 52.766 52.037 0.285 0.000 0.926 1146 A CB -0.814 18.301 19.000 0.191 0.000 1.019 1146 A HN 1.148 nan 8.150 nan 0.000 0.515 1147 G N -2.805 106.236 108.800 0.402 0.000 2.351 1147 G HA2 0.556 4.513 3.960 -0.005 0.000 0.353 1147 G HA3 0.556 4.513 3.960 -0.005 0.000 0.353 1147 G C -0.164 174.936 174.900 0.333 0.000 1.358 1147 G CA -0.083 45.239 45.100 0.372 0.000 0.995 1147 G HN 1.956 nan 8.290 nan 0.000 0.611 1148 G N -1.074 107.913 108.800 0.311 0.000 2.367 1148 G HA2 0.612 4.569 3.960 -0.005 0.000 0.272 1148 G HA3 0.612 4.569 3.960 -0.005 0.000 0.272 1148 G C -0.850 174.206 174.900 0.261 0.000 1.271 1148 G CA -0.130 45.100 45.100 0.217 0.000 0.893 1148 G HN 0.909 nan 8.290 nan 0.000 0.485 1149 R N -0.669 119.969 120.500 0.231 0.000 2.607 1149 R HA 0.766 5.103 4.340 -0.005 0.000 0.261 1149 R C -0.334 176.111 176.300 0.242 0.000 1.051 1149 R CA -0.694 55.518 56.100 0.187 0.000 1.110 1149 R CB 1.041 31.365 30.300 0.040 0.000 1.158 1149 R HN 0.396 nan 8.270 nan 0.000 0.543 1150 L N -0.466 120.852 121.223 0.159 0.000 2.332 1150 L HA 0.783 5.120 4.340 -0.005 0.000 0.269 1150 L C 0.476 177.453 176.870 0.178 0.000 1.016 1150 L CA -0.711 54.218 54.840 0.147 0.000 0.809 1150 L CB 1.925 43.846 42.059 -0.231 0.000 1.280 1150 L HN 0.843 nan 8.230 nan 0.000 0.447 1151 G N 0.487 109.411 108.800 0.206 0.000 2.547 1151 G HA2 0.536 4.493 3.960 -0.005 0.000 0.291 1151 G HA3 0.536 4.493 3.960 -0.005 0.000 0.291 1151 G C -1.859 172.997 174.900 -0.072 0.000 1.471 1151 G CA -0.725 44.341 45.100 -0.056 0.000 0.798 1151 G HN 0.349 nan 8.290 nan 0.000 0.504 1152 L N 0.007 120.961 121.223 -0.448 0.000 2.334 1152 L HA 0.774 5.111 4.340 -0.005 0.000 0.272 1152 L C -0.987 175.761 176.870 -0.203 0.000 1.020 1152 L CA -0.958 53.578 54.840 -0.506 0.000 0.812 1152 L CB 2.115 43.447 42.059 -1.211 0.000 1.264 1152 L HN 0.524 nan 8.230 nan 0.000 0.439 1153 F N 2.768 122.661 119.950 -0.094 0.000 2.547 1153 F HA 0.681 5.205 4.527 -0.005 0.000 0.316 1153 F C -0.760 175.265 175.800 0.376 0.000 1.121 1153 F CA -0.750 57.342 58.000 0.155 0.000 0.911 1153 F CB 1.731 40.800 39.000 0.115 0.000 1.179 1153 F HN 0.135 nan 8.300 nan 0.000 0.443 1154 V N 3.896 123.563 119.914 -0.411 0.000 2.789 1154 V HA 0.636 4.753 4.120 -0.005 0.000 0.311 1154 V C -1.818 174.003 176.094 -0.455 0.000 1.073 1154 V CA -0.837 61.318 62.300 -0.242 0.000 0.921 1154 V CB 1.852 33.637 31.823 -0.063 0.000 1.009 1154 V HN 0.881 nan 8.190 nan 0.000 0.426 1155 F N 3.940 123.781 119.950 -0.181 0.000 2.949 1155 F HA 0.522 5.046 4.527 -0.005 0.000 0.376 1155 F C 0.708 176.717 175.800 0.349 0.000 1.205 1155 F CA 0.061 58.102 58.000 0.068 0.000 1.155 1155 F CB 1.092 40.205 39.000 0.188 0.000 1.495 1155 F HN 1.002 nan 8.300 nan 0.000 0.551 1156 S N 2.905 118.995 115.700 0.650 0.000 3.672 1156 S HA -0.251 4.216 4.470 -0.005 0.000 0.319 1156 S C -0.658 174.155 174.600 0.355 0.000 1.151 1156 S CA 0.896 59.424 58.200 0.547 0.000 0.911 1156 S CB -0.948 62.748 63.200 0.826 0.000 0.939 1156 S HN 0.779 nan 8.310 nan 0.000 0.524 1157 Q N 1.648 121.590 119.800 0.236 0.000 2.292 1157 Q HA 0.534 4.871 4.340 -0.005 0.000 0.270 1157 Q C -0.274 175.737 176.000 0.018 0.000 1.024 1157 Q CA -0.581 55.308 55.803 0.144 0.000 0.768 1157 Q CB 1.353 30.187 28.738 0.160 0.000 1.250 1157 Q HN 0.698 nan 8.270 nan 0.000 0.447 1161 Y N 3.995 124.000 120.300 -0.492 0.000 2.335 1161 Y HA 0.633 5.180 4.550 -0.005 0.000 0.339 1161 Y C -0.150 175.526 175.900 -0.373 0.000 0.987 1161 Y CA -0.552 57.403 58.100 -0.242 0.000 1.140 1161 Y CB 1.520 39.949 38.460 -0.052 0.000 1.173 1161 Y HN 0.606 nan 8.280 nan 0.000 0.486 1162 F N 2.303 122.376 119.950 0.206 0.000 2.300 1162 F HA 0.306 4.830 4.527 -0.005 0.000 0.364 1162 F C 0.424 176.338 175.800 0.189 0.000 1.090 1162 F CA -0.367 57.797 58.000 0.274 0.000 1.200 1162 F CB 0.948 40.129 39.000 0.302 0.000 1.493 1162 F HN 0.289 nan 8.300 nan 0.000 0.518 1163 S N 0.999 116.858 115.700 0.265 0.000 2.651 1163 S HA 0.331 4.798 4.470 -0.005 0.000 0.291 1163 S C -0.070 174.606 174.600 0.128 0.000 1.141 1163 S CA -0.436 57.886 58.200 0.204 0.000 1.027 1163 S CB 0.824 64.130 63.200 0.177 0.000 1.043 1163 S HN 0.709 nan 8.310 nan 0.000 0.530 1164 D N 1.117 121.636 120.400 0.199 0.000 2.697 1164 D HA -0.169 4.468 4.640 -0.005 0.000 0.235 1164 D C -0.584 175.745 176.300 0.048 0.000 1.167 1164 D CA 0.576 54.676 54.000 0.167 0.000 0.656 1164 D CB -1.541 39.318 40.800 0.098 0.000 1.025 1164 D HN 0.481 nan 8.370 nan 0.000 0.419 1165 L N 0.257 121.540 121.223 0.101 0.000 2.453 1165 L HA 0.229 4.566 4.340 -0.005 0.000 0.272 1165 L C 1.054 177.969 176.870 0.075 0.000 1.182 1165 L CA 0.574 55.499 54.840 0.142 0.000 0.858 1165 L CB 0.595 42.888 42.059 0.389 0.000 1.120 1165 L HN 0.045 nan 8.230 nan 0.000 0.474 1166 K N 2.993 123.457 120.400 0.107 0.000 2.513 1166 K HA 0.457 4.774 4.320 -0.005 0.000 0.251 1166 K C -1.590 175.126 176.600 0.194 0.000 0.939 1166 K CA -0.731 55.561 56.287 0.008 0.000 0.793 1166 K CB 2.295 34.788 32.500 -0.013 0.000 1.241 1166 K HN 0.350 nan 8.250 nan 0.000 0.431 1167 Y N -0.533 119.828 120.300 0.103 0.000 2.524 1167 Y HA 0.656 5.203 4.550 -0.005 0.000 0.344 1167 Y C -0.618 175.241 175.900 -0.069 0.000 1.012 1167 Y CA -1.141 56.929 58.100 -0.051 0.000 1.068 1167 Y CB 1.401 39.609 38.460 -0.421 0.000 1.249 1167 Y HN 0.392 nan 8.280 nan 0.000 0.468 1168 E N 1.017 121.288 120.200 0.118 0.000 2.340 1168 E HA 0.454 4.801 4.350 -0.005 0.000 0.273 1168 E C -1.438 175.195 176.600 0.055 0.000 0.891 1168 E CA -0.977 55.489 56.400 0.111 0.000 0.757 1168 E CB 2.337 32.085 29.700 0.080 0.000 1.231 1168 E HN 0.705 nan 8.360 nan 0.000 0.439 1169 c N 1.485 120.168 118.600 0.138 0.000 2.593 1169 c HA 0.307 4.874 4.570 -0.005 0.000 0.409 1169 c C 0.963 175.098 174.090 0.075 0.000 1.304 1169 c CA -0.259 56.154 56.329 0.139 0.000 2.007 1169 c CB -0.697 41.932 42.510 0.197 0.000 2.614 1169 c HN 0.609 nan 8.230 nan 0.000 0.585 1170 R N 1.449 121.982 120.500 0.056 0.000 2.776 1170 R HA 0.273 4.610 4.340 -0.005 0.000 0.391 1170 R C -0.266 176.051 176.300 0.028 0.000 1.116 1170 R CA -0.033 56.087 56.100 0.033 0.000 1.056 1170 R CB -0.419 29.899 30.300 0.030 0.000 1.369 1170 R HN 0.741 nan 8.270 nan 0.000 0.590 1171 D N 0.000 120.423 120.400 0.038 0.000 6.856 1171 D HA 0.000 4.637 4.640 -0.005 0.000 0.175 1171 D CA 0.000 54.023 54.000 0.038 0.000 0.868 1171 D CB 0.000 40.838 40.800 0.063 0.000 0.688 1171 D HN 0.000 nan 8.370 nan 0.000 0.683