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 3ns1_1_L DATA FIRST_RESID 571 DATA SEQUENCE DTVGRPLPHL AAAMQASGEA VYCDDIPRYE NELFLRLVTS TRAHAKIKSI DATA SEQUENCE DVSEAQKVPG FVCFLSADDI PGSNETGLFN DETVFAKDTV TCVGHIIGAV DATA SEQUENCE VADTPEHAER AAHVVKVTYE DLPAIITIED AIKNNSFYGS ELKIEKGDLK DATA SEQUENCE KGFSEADNVV SGELYIGGQD HFYLETHCTI AIPKGEEGEM ELFVSTQNAM DATA SEQUENCE KTQSFVAKML GVPVNRILVR VKRMGGGFGG KETRSTLVSV AVALAAYKTG DATA SEQUENCE HPVRCMLDRN EDMLITGGRH PFLARYKVGF MKTGTIVALE VDHYSNAGNS DATA SEQUENCE RDLSHSIMER ALFHMDNCYK IPNIRGTGRL CKTNLSSNTA FRGFGGPQAL DATA SEQUENCE FIAENWMSEV AVTCGLPAEE VRWKNMYKEG DLTHFNQRLE GFSVPRCWDE DATA SEQUENCE CLKSSQYYAR KSEVDKFNKE NCWKKRGLCI IPTKFGISFT VPFLNQAGAL DATA SEQUENCE IHVYTDGSVL VSHGGTEMGQ GLHTKMVQVA SKALKIPISK IYISETSTNT DATA SEQUENCE VPNSSPTAAS VSTDIYGQAV YEACQTILKR LEPFKKKNPD GSWEDWVMAA DATA SEQUENCE YQDRVSLSTT GFYRTPNLGY SFETNSGNAF HYFTYGVACS EVEIDCLTGD DATA SEQUENCE HKNLRTDIVM DVGSSLNPAI DIGQVEGAFV QGLGLFTLEE LHYSPEGSLH DATA SEQUENCE TRGPSTYKIP AFGSIPTEFR VSLLRDCPNK KAIYASKAVG EPPLFLGASV DATA SEQUENCE FFAIKDAIRA ARAQHTNNNT KELFRLDSPA TPEKIRNACV DKFTT 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 571 D HA 0.000 nan 4.640 nan 0.000 0.175 571 D C 0.000 176.261 176.300 -0.066 0.000 2.045 571 D CA 0.000 53.960 54.000 -0.067 0.000 0.868 571 D CB 0.000 40.756 40.800 -0.074 0.000 0.688 572 T N -0.627 113.888 114.554 -0.065 0.000 3.054 572 T HA 0.239 4.589 4.350 -0.000 0.000 0.255 572 T C 0.701 175.365 174.700 -0.060 0.000 1.035 572 T CA -0.070 61.999 62.100 -0.052 0.000 0.941 572 T CB 0.062 68.909 68.868 -0.036 0.000 1.026 572 T HN 0.124 nan 8.240 nan 0.000 0.533 573 V N 2.374 122.231 119.914 -0.094 0.000 2.493 573 V HA 0.465 4.585 4.120 -0.000 0.000 0.292 573 V C 1.658 177.702 176.094 -0.084 0.000 1.016 573 V CA 1.336 63.574 62.300 -0.103 0.000 1.097 573 V CB -0.201 31.493 31.823 -0.214 0.000 0.947 573 V HN 0.880 nan 8.190 nan 0.000 0.479 574 G N 4.922 113.692 108.800 -0.049 0.000 2.194 574 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.236 574 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.236 574 G C 0.216 175.099 174.900 -0.029 0.000 0.987 574 G CA -0.119 44.959 45.100 -0.037 0.000 0.635 574 G HN 0.610 nan 8.290 nan 0.000 0.520 575 R N 0.914 121.396 120.500 -0.029 0.000 2.474 575 R HA 0.487 4.827 4.340 -0.000 0.000 0.295 575 R C -2.201 174.091 176.300 -0.014 0.000 0.980 575 R CA -1.813 54.275 56.100 -0.021 0.000 0.934 575 R CB 1.490 31.776 30.300 -0.023 0.000 1.101 575 R HN -0.003 nan 8.270 nan 0.000 0.469 576 P HA -0.036 nan 4.420 nan 0.000 0.246 576 P C -0.566 176.736 177.300 0.003 0.000 1.675 576 P CA -0.067 63.031 63.100 -0.003 0.000 0.908 576 P CB -0.171 31.526 31.700 -0.005 0.000 1.890 577 L N 2.580 123.805 121.223 0.002 0.000 2.462 577 L HA 0.284 4.624 4.340 -0.000 0.000 0.272 577 L C -2.223 174.661 176.870 0.023 0.000 1.166 577 L CA -1.734 53.111 54.840 0.008 0.000 0.880 577 L CB -0.424 41.634 42.059 -0.000 0.000 1.142 577 L HN -0.020 nan 8.230 nan 0.000 0.473 578 P HA 0.015 nan 4.420 nan 0.000 0.270 578 P C -0.816 176.543 177.300 0.099 0.000 1.223 578 P CA -0.141 63.000 63.100 0.067 0.000 0.785 578 P CB 0.233 31.971 31.700 0.064 0.000 0.923 579 H N 2.222 121.305 119.070 0.022 0.000 3.094 579 H HA -0.033 4.523 4.556 -0.000 0.000 0.320 579 H C 1.091 176.437 175.328 0.031 0.000 1.000 579 H CA 0.664 56.727 56.048 0.025 0.000 1.413 579 H CB 0.374 30.151 29.762 0.026 0.000 1.405 579 H HN 0.353 nan 8.280 nan 0.000 0.586 580 L N 4.194 125.441 121.223 0.040 0.000 2.191 580 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 580 L C 2.340 179.324 176.870 0.189 0.000 1.103 580 L CA 1.344 56.237 54.840 0.089 0.000 0.769 580 L CB -0.271 41.791 42.059 0.005 0.000 0.908 580 L HN 0.654 nan 8.230 nan 0.000 0.438 581 A N -0.798 122.248 122.820 0.375 0.000 2.267 581 A HA 0.295 4.615 4.320 -0.000 0.000 0.213 581 A C 2.409 180.071 177.584 0.130 0.000 1.192 581 A CA 0.718 52.896 52.037 0.234 0.000 0.851 581 A CB -0.206 18.929 19.000 0.224 0.000 0.881 581 A HN 0.289 nan 8.150 nan 0.000 0.494 582 A N 0.622 123.527 122.820 0.141 0.000 1.903 582 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 582 A C 2.459 180.068 177.584 0.042 0.000 1.191 582 A CA 2.306 54.363 52.037 0.035 0.000 0.638 582 A CB -1.012 18.023 19.000 0.059 0.000 0.823 582 A HN 1.115 nan 8.150 nan 0.000 0.451 583 A N -0.807 122.048 122.820 0.059 0.000 1.908 583 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 583 A C 2.246 179.856 177.584 0.044 0.000 1.181 583 A CA 1.927 53.992 52.037 0.047 0.000 0.627 583 A CB -0.513 18.515 19.000 0.047 0.000 0.818 583 A HN 0.572 nan 8.150 nan 0.000 0.445 584 M N -1.157 118.472 119.600 0.049 0.000 2.349 584 M HA -0.105 4.375 4.480 -0.000 0.000 0.266 584 M C 2.226 178.555 176.300 0.049 0.000 1.076 584 M CA 0.983 56.309 55.300 0.044 0.000 1.126 584 M CB -0.271 32.354 32.600 0.042 0.000 1.392 584 M HN 0.470 nan 8.290 nan 0.000 0.440 585 Q N 0.564 120.393 119.800 0.049 0.000 2.119 585 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 585 Q C 2.194 178.233 176.000 0.065 0.000 0.972 585 Q CA 1.616 57.461 55.803 0.071 0.000 0.847 585 Q CB -0.255 28.510 28.738 0.045 0.000 0.903 585 Q HN 0.580 nan 8.270 nan 0.000 0.433 586 A N 0.783 123.631 122.820 0.047 0.000 2.119 586 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 586 A C 1.995 179.604 177.584 0.041 0.000 1.152 586 A CA 1.248 53.311 52.037 0.043 0.000 0.708 586 A CB -0.113 18.910 19.000 0.037 0.000 0.805 586 A HN 0.369 nan 8.150 nan 0.000 0.460 587 S N -2.602 113.123 115.700 0.041 0.000 2.540 587 S HA 0.412 4.882 4.470 -0.000 0.000 0.218 587 S C 1.298 175.921 174.600 0.039 0.000 0.977 587 S CA 0.938 59.159 58.200 0.035 0.000 0.918 587 S CB -0.033 63.184 63.200 0.029 0.000 0.806 587 S HN 1.783 nan 8.310 nan 0.000 0.496 588 G N 1.218 110.050 108.800 0.054 0.000 2.143 588 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.248 588 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.248 588 G C 0.413 175.350 174.900 0.061 0.000 0.991 588 G CA 0.492 45.631 45.100 0.065 0.000 0.689 588 G HN 0.571 nan 8.290 nan 0.000 0.522 589 E N -0.180 120.049 120.200 0.049 0.000 2.364 589 E HA 0.439 4.789 4.350 -0.000 0.000 0.196 589 E C 1.792 178.404 176.600 0.019 0.000 0.990 589 E CA 0.319 56.737 56.400 0.030 0.000 0.886 589 E CB 0.240 29.952 29.700 0.021 0.000 0.866 589 E HN 0.767 nan 8.360 nan 0.000 0.493 590 A N 1.460 124.292 122.820 0.020 0.000 2.511 590 A HA 0.158 4.477 4.320 -0.000 0.000 0.242 590 A C 0.135 177.661 177.584 -0.097 0.000 1.069 590 A CA -0.044 51.959 52.037 -0.055 0.000 0.763 590 A CB 0.363 19.311 19.000 -0.086 0.000 1.001 590 A HN 0.008 nan 8.150 nan 0.000 0.498 591 V N 4.059 123.862 119.914 -0.186 0.000 2.383 591 V HA 0.306 4.426 4.120 -0.000 0.000 0.275 591 V C -0.475 175.424 176.094 -0.326 0.000 1.036 591 V CA -0.152 62.063 62.300 -0.142 0.000 0.889 591 V CB 0.034 31.795 31.823 -0.103 0.000 0.985 591 V HN 0.751 nan 8.190 nan 0.000 0.459 592 Y N 1.890 122.178 120.300 -0.020 0.000 2.480 592 Y HA 0.307 4.857 4.550 -0.000 0.000 0.323 592 Y C 1.664 177.547 175.900 -0.028 0.000 1.267 592 Y CA -0.380 57.707 58.100 -0.022 0.000 1.336 592 Y CB 0.352 38.799 38.460 -0.022 0.000 1.361 592 Y HN 0.641 nan 8.280 nan 0.000 0.518 593 C N 0.537 119.923 119.300 0.144 0.000 2.376 593 C HA -0.259 4.201 4.460 -0.000 0.000 0.275 593 C C 2.368 177.389 174.990 0.052 0.000 1.200 593 C CA 2.390 61.453 59.018 0.076 0.000 1.756 593 C CB -0.947 26.844 27.740 0.085 0.000 2.050 593 C HN 1.060 nan 8.230 nan 0.000 0.460 594 D N -0.521 119.923 120.400 0.073 0.000 2.363 594 D HA -0.036 4.604 4.640 -0.000 0.000 0.226 594 D C 1.268 177.598 176.300 0.050 0.000 1.020 594 D CA 0.693 54.731 54.000 0.064 0.000 0.892 594 D CB -0.308 40.535 40.800 0.072 0.000 0.900 594 D HN 0.516 nan 8.370 nan 0.000 0.531 595 D N -0.427 120.005 120.400 0.053 0.000 2.349 595 D HA 0.070 4.710 4.640 -0.000 0.000 0.215 595 D C 0.505 176.791 176.300 -0.023 0.000 1.016 595 D CA 0.061 54.082 54.000 0.036 0.000 0.870 595 D CB 0.289 41.135 40.800 0.078 0.000 0.917 595 D HN 0.364 nan 8.370 nan 0.000 0.524 596 I N 2.413 122.943 120.570 -0.067 0.000 2.588 596 I HA 0.085 4.255 4.170 -0.000 0.000 0.283 596 I C -1.861 174.173 176.117 -0.138 0.000 1.119 596 I CA -1.701 59.506 61.300 -0.156 0.000 1.419 596 I CB 0.511 38.341 38.000 -0.283 0.000 1.394 596 I HN -0.281 nan 8.210 nan 0.000 0.562 597 P HA 0.168 nan 4.420 nan 0.000 0.270 597 P C -0.907 176.282 177.300 -0.185 0.000 1.223 597 P CA -0.314 62.702 63.100 -0.141 0.000 0.785 597 P CB 0.496 32.099 31.700 -0.161 0.000 0.923 598 R N 0.803 121.237 120.500 -0.110 0.000 2.457 598 R HA 0.382 4.722 4.340 -0.000 0.000 0.284 598 R C -0.219 176.002 176.300 -0.132 0.000 1.024 598 R CA -0.383 55.664 56.100 -0.088 0.000 1.025 598 R CB 0.058 30.384 30.300 0.043 0.000 1.063 598 R HN 0.434 nan 8.270 nan 0.000 0.493 599 Y N 1.400 121.699 120.300 -0.003 0.000 2.426 599 Y HA -0.118 4.432 4.550 -0.000 0.000 0.344 599 Y C 1.891 177.807 175.900 0.028 0.000 1.256 599 Y CA 0.350 58.455 58.100 0.008 0.000 1.451 599 Y CB 0.734 39.197 38.460 0.005 0.000 1.342 599 Y HN 0.720 nan 8.280 nan 0.000 0.600 600 E N 0.380 120.713 120.200 0.221 0.000 2.160 600 E HA -0.260 4.089 4.350 -0.000 0.000 0.195 600 E C 0.467 177.159 176.600 0.153 0.000 0.991 600 E CA 1.617 58.104 56.400 0.145 0.000 0.810 600 E CB -0.316 29.451 29.700 0.111 0.000 0.742 600 E HN 0.727 nan 8.360 nan 0.000 0.466 601 N N 1.043 119.846 118.700 0.172 0.000 2.251 601 N HA 0.022 4.761 4.740 -0.000 0.000 0.217 601 N C -0.506 175.155 175.510 0.252 0.000 1.124 601 N CA -0.140 53.041 53.050 0.219 0.000 0.843 601 N CB 0.227 38.809 38.487 0.157 0.000 1.024 601 N HN 0.236 nan 8.380 nan 0.000 0.501 602 E N 1.048 121.347 120.200 0.165 0.000 2.290 602 E HA 0.219 4.569 4.350 -0.000 0.000 0.277 602 E C -0.468 176.081 176.600 -0.086 0.000 1.035 602 E CA -0.339 56.092 56.400 0.051 0.000 0.873 602 E CB 0.597 30.307 29.700 0.016 0.000 1.029 602 E HN 0.241 nan 8.360 nan 0.000 0.419 603 L N 3.520 124.646 121.223 -0.162 0.000 2.376 603 L HA 0.538 4.878 4.340 -0.000 0.000 0.267 603 L C -0.545 176.043 176.870 -0.471 0.000 1.035 603 L CA -0.997 53.746 54.840 -0.162 0.000 0.800 603 L CB 0.688 42.690 42.059 -0.095 0.000 1.290 603 L HN 0.513 nan 8.230 nan 0.000 0.462 604 F N 0.637 120.600 119.950 0.023 0.000 2.540 604 F HA 0.565 5.092 4.527 -0.000 0.000 0.317 604 F C -0.311 175.509 175.800 0.033 0.000 1.104 604 F CA -0.468 57.554 58.000 0.036 0.000 0.913 604 F CB 1.854 40.877 39.000 0.040 0.000 1.170 604 F HN 0.149 nan 8.300 nan 0.000 0.450 605 L N 3.521 124.858 121.223 0.190 0.000 2.334 605 L HA 0.759 5.099 4.340 -0.000 0.000 0.276 605 L C -0.917 176.048 176.870 0.157 0.000 1.014 605 L CA -0.711 54.212 54.840 0.139 0.000 0.815 605 L CB 1.556 43.672 42.059 0.095 0.000 1.268 605 L HN 0.764 nan 8.230 nan 0.000 0.428 606 R N 4.521 125.107 120.500 0.144 0.000 2.532 606 R HA 0.516 4.856 4.340 -0.000 0.000 0.297 606 R C -1.373 175.012 176.300 0.142 0.000 0.984 606 R CA -0.580 55.607 56.100 0.145 0.000 0.884 606 R CB 1.306 31.697 30.300 0.152 0.000 1.182 606 R HN 0.693 nan 8.270 nan 0.000 0.442 607 L N 3.797 125.104 121.223 0.140 0.000 2.514 607 L HA 0.160 4.500 4.340 -0.000 0.000 0.280 607 L C -0.262 176.698 176.870 0.151 0.000 1.223 607 L CA -0.140 54.787 54.840 0.145 0.000 0.864 607 L CB 0.730 42.877 42.059 0.147 0.000 1.118 607 L HN 0.345 nan 8.230 nan 0.000 0.494 608 V N 2.413 122.417 119.914 0.150 0.000 2.417 608 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 608 V C 0.156 176.340 176.094 0.150 0.000 1.024 608 V CA -0.337 62.063 62.300 0.167 0.000 0.861 608 V CB 1.744 33.708 31.823 0.235 0.000 0.985 608 V HN 0.794 nan 8.190 nan 0.000 0.436 609 T N 2.669 117.315 114.554 0.153 0.000 2.907 609 T HA 0.396 4.746 4.350 -0.000 0.000 0.292 609 T C -0.166 174.639 174.700 0.174 0.000 1.043 609 T CA -0.237 61.957 62.100 0.156 0.000 1.003 609 T CB 1.822 70.778 68.868 0.147 0.000 1.084 609 T HN 0.763 nan 8.240 nan 0.000 0.483 610 S N 0.773 116.586 115.700 0.188 0.000 2.562 610 S HA 0.204 4.674 4.470 -0.000 0.000 0.281 610 S C 1.270 175.936 174.600 0.110 0.000 1.333 610 S CA 0.072 58.397 58.200 0.210 0.000 1.052 610 S CB 0.392 63.718 63.200 0.210 0.000 0.884 610 S HN 0.859 nan 8.310 nan 0.000 0.506 611 T N 2.403 116.972 114.554 0.025 0.000 3.186 611 T HA 0.404 4.754 4.350 -0.000 0.000 0.257 611 T C 0.186 174.743 174.700 -0.238 0.000 1.029 611 T CA -0.549 61.505 62.100 -0.076 0.000 0.916 611 T CB -0.082 68.778 68.868 -0.014 0.000 1.041 611 T HN 0.393 nan 8.240 nan 0.000 0.562 612 R N 0.167 120.479 120.500 -0.313 0.000 2.686 612 R HA 0.764 5.104 4.340 -0.000 0.000 0.286 612 R C 1.065 177.309 176.300 -0.093 0.000 0.969 612 R CA -0.345 55.579 56.100 -0.294 0.000 0.898 612 R CB 1.343 31.317 30.300 -0.543 0.000 1.183 612 R HN 0.138 nan 8.270 nan 0.000 0.456 613 A N 1.170 123.961 122.820 -0.049 0.000 1.902 613 A HA -0.153 4.166 4.320 -0.000 0.000 0.217 613 A C 0.250 177.886 177.584 0.088 0.000 1.181 613 A CA 1.699 53.738 52.037 0.004 0.000 0.623 613 A CB -0.218 18.778 19.000 -0.006 0.000 0.818 613 A HN 0.630 nan 8.150 nan 0.000 0.443 614 H N -2.273 116.777 119.070 -0.034 0.000 3.235 614 H HA 0.599 5.155 4.556 -0.000 0.000 0.324 614 H C -0.978 174.360 175.328 0.016 0.000 1.059 614 H CA -0.417 55.632 56.048 0.002 0.000 1.497 614 H CB 0.603 30.357 29.762 -0.013 0.000 1.986 614 H HN 0.540 nan 8.280 nan 0.000 0.444 615 A N 4.071 126.949 122.820 0.097 0.000 2.605 615 A HA 0.487 4.807 4.320 -0.000 0.000 0.294 615 A C -1.166 176.482 177.584 0.107 0.000 1.062 615 A CA -0.972 51.091 52.037 0.044 0.000 0.682 615 A CB 1.438 20.513 19.000 0.126 0.000 1.278 615 A HN 0.482 nan 8.150 nan 0.000 0.410 616 K N 0.940 121.379 120.400 0.065 0.000 2.368 616 K HA 0.373 4.693 4.320 -0.000 0.000 0.282 616 K C -0.732 175.931 176.600 0.105 0.000 1.035 616 K CA 0.177 56.508 56.287 0.074 0.000 0.973 616 K CB 0.401 32.918 32.500 0.029 0.000 0.957 616 K HN 0.523 nan 8.250 nan 0.000 0.474 617 I N 5.012 125.624 120.570 0.070 0.000 2.379 617 I HA -0.047 4.123 4.170 -0.000 0.000 0.290 617 I C 1.543 177.626 176.117 -0.057 0.000 1.063 617 I CA 0.310 61.594 61.300 -0.028 0.000 1.351 617 I CB 0.600 38.581 38.000 -0.032 0.000 1.410 617 I HN 0.661 nan 8.210 nan 0.000 0.505 618 K N 4.235 124.575 120.400 -0.100 0.000 2.334 618 K HA 0.186 4.505 4.320 -0.000 0.000 0.195 618 K C 0.182 176.730 176.600 -0.086 0.000 1.045 618 K CA 0.198 56.443 56.287 -0.069 0.000 1.004 618 K CB 0.435 32.910 32.500 -0.041 0.000 0.837 618 K HN 0.596 nan 8.250 nan 0.000 0.510 619 S N 0.005 115.625 115.700 -0.134 0.000 2.552 619 S HA 0.527 4.997 4.470 -0.000 0.000 0.272 619 S C -1.039 173.457 174.600 -0.173 0.000 1.150 619 S CA -1.069 57.055 58.200 -0.126 0.000 0.849 619 S CB 1.094 64.231 63.200 -0.106 0.000 1.113 619 S HN 0.160 nan 8.310 nan 0.000 0.458 620 I N 1.940 122.417 120.570 -0.155 0.000 2.439 620 I HA 0.441 4.610 4.170 -0.000 0.000 0.285 620 I C -1.479 174.495 176.117 -0.239 0.000 1.021 620 I CA -0.248 60.925 61.300 -0.211 0.000 1.091 620 I CB 1.813 39.700 38.000 -0.189 0.000 1.242 620 I HN 0.779 nan 8.210 nan 0.000 0.439 621 D N 6.034 126.280 120.400 -0.257 0.000 2.408 621 D HA 0.366 5.005 4.640 -0.000 0.000 0.243 621 D C 0.240 176.371 176.300 -0.282 0.000 1.075 621 D CA -0.570 53.293 54.000 -0.228 0.000 0.832 621 D CB 2.061 42.760 40.800 -0.167 0.000 1.162 621 D HN 0.299 nan 8.370 nan 0.000 0.515 622 V N 1.587 121.330 119.914 -0.284 0.000 3.380 622 V HA 0.159 4.278 4.120 -0.000 0.000 0.307 622 V C 1.596 177.520 176.094 -0.283 0.000 1.434 622 V CA 0.653 62.758 62.300 -0.325 0.000 1.075 622 V CB -0.440 31.172 31.823 -0.352 0.000 0.954 622 V HN 0.497 nan 8.190 nan 0.000 0.444 623 S N 0.666 116.237 115.700 -0.216 0.000 2.370 623 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 623 S C 1.758 176.234 174.600 -0.206 0.000 1.033 623 S CA 1.608 59.695 58.200 -0.189 0.000 1.011 623 S CB -0.481 62.639 63.200 -0.133 0.000 0.852 623 S HN 0.610 nan 8.310 nan 0.000 0.457 624 E N 2.086 122.171 120.200 -0.191 0.000 2.072 624 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 624 E C 2.496 178.962 176.600 -0.224 0.000 0.985 624 E CA 1.243 57.539 56.400 -0.173 0.000 0.801 624 E CB -0.852 28.766 29.700 -0.135 0.000 0.750 624 E HN 0.674 nan 8.360 nan 0.000 0.452 625 A N 1.232 123.878 122.820 -0.289 0.000 1.972 625 A HA -0.227 4.092 4.320 -0.000 0.000 0.219 625 A C 2.074 179.194 177.584 -0.772 0.000 1.169 625 A CA 1.457 53.267 52.037 -0.379 0.000 0.635 625 A CB -0.525 18.286 19.000 -0.314 0.000 0.810 625 A HN 0.233 nan 8.150 nan 0.000 0.446 626 Q N -0.510 118.793 119.800 -0.829 0.000 2.291 626 Q HA -0.117 4.223 4.340 -0.000 0.000 0.206 626 Q C 1.604 177.378 176.000 -0.377 0.000 0.976 626 Q CA 1.347 56.660 55.803 -0.817 0.000 0.875 626 Q CB -0.113 28.340 28.738 -0.475 0.000 0.927 626 Q HN 0.644 nan 8.270 nan 0.000 0.450 627 K N -0.069 120.174 120.400 -0.262 0.000 2.418 627 K HA 0.062 4.381 4.320 -0.000 0.000 0.195 627 K C 0.026 176.561 176.600 -0.109 0.000 1.035 627 K CA 0.009 56.211 56.287 -0.142 0.000 1.003 627 K CB 0.535 32.969 32.500 -0.111 0.000 0.793 627 K HN -0.038 nan 8.250 nan 0.000 0.494 628 V N 4.102 123.943 119.914 -0.121 0.000 2.521 628 V HA 0.046 4.166 4.120 -0.000 0.000 0.286 628 V C -2.149 173.887 176.094 -0.098 0.000 1.034 628 V CA -1.593 60.657 62.300 -0.083 0.000 1.045 628 V CB 0.363 32.172 31.823 -0.023 0.000 0.974 628 V HN 0.076 nan 8.190 nan 0.000 0.480 629 P HA 0.248 nan 4.420 nan 0.000 0.269 629 P C 1.002 178.083 177.300 -0.366 0.000 1.209 629 P CA 1.018 63.966 63.100 -0.254 0.000 0.776 629 P CB 0.660 32.193 31.700 -0.279 0.000 0.876 630 G N 1.407 110.158 108.800 -0.082 0.000 2.212 630 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.266 630 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.266 630 G C 0.171 175.135 174.900 0.106 0.000 0.978 630 G CA -0.190 44.949 45.100 0.064 0.000 0.632 630 G HN 0.566 nan 8.290 nan 0.000 0.537 631 F N 1.135 121.068 119.950 -0.028 0.000 2.623 631 F HA 0.345 4.872 4.527 -0.000 0.000 0.383 631 F C 1.401 177.213 175.800 0.019 0.000 1.077 631 F CA 1.071 59.078 58.000 0.011 0.000 1.268 631 F CB 0.898 39.896 39.000 -0.004 0.000 1.053 631 F HN -0.063 nan 8.300 nan 0.000 0.571 632 V N 4.531 123.977 119.914 -0.781 0.000 2.743 632 V HA 0.102 4.222 4.120 -0.000 0.000 0.237 632 V C 0.347 175.999 176.094 -0.736 0.000 1.113 632 V CA 1.056 63.028 62.300 -0.547 0.000 1.141 632 V CB 0.423 32.047 31.823 -0.332 0.000 0.873 632 V HN 1.038 nan 8.190 nan 0.000 0.486 633 C N -1.847 116.787 119.300 -1.110 0.000 3.275 633 C HA 0.609 5.069 4.460 -0.000 0.000 0.345 633 C C -1.222 173.655 174.990 -0.189 0.000 1.257 633 C CA -1.416 57.317 59.018 -0.475 0.000 1.203 633 C CB 0.399 28.047 27.740 -0.154 0.000 1.492 633 C HN 0.292 nan 8.230 nan 0.000 0.484 634 F N 1.971 121.981 119.950 0.100 0.000 2.399 634 F HA 0.861 5.388 4.527 -0.000 0.000 0.334 634 F C -0.635 175.158 175.800 -0.012 0.000 1.097 634 F CA -1.129 56.926 58.000 0.092 0.000 1.076 634 F CB 0.867 39.962 39.000 0.158 0.000 1.162 634 F HN 0.728 nan 8.300 nan 0.000 0.495 635 L N 5.043 125.688 121.223 -0.962 0.000 2.362 635 L HA 0.667 5.007 4.340 -0.000 0.000 0.271 635 L C -0.588 175.523 176.870 -1.265 0.000 1.002 635 L CA -0.605 53.783 54.840 -0.753 0.000 0.818 635 L CB 2.054 43.889 42.059 -0.372 0.000 1.298 635 L HN 0.810 nan 8.230 nan 0.000 0.420 636 S N 0.834 116.098 115.700 -0.728 0.000 2.705 636 S HA 0.609 5.079 4.470 -0.000 0.000 0.280 636 S C 0.622 175.181 174.600 -0.068 0.000 1.174 636 S CA -0.054 57.775 58.200 -0.617 0.000 0.823 636 S CB 1.436 64.480 63.200 -0.261 0.000 1.162 636 S HN 0.681 nan 8.310 nan 0.000 0.487 637 A N 0.891 123.767 122.820 0.094 0.000 2.009 637 A HA -0.164 4.156 4.320 -0.000 0.000 0.222 637 A C 1.546 179.199 177.584 0.113 0.000 1.175 637 A CA 2.358 54.515 52.037 0.201 0.000 0.651 637 A CB -1.372 17.715 19.000 0.144 0.000 0.815 637 A HN 0.838 nan 8.150 nan 0.000 0.459 638 D N 0.271 120.713 120.400 0.071 0.000 2.263 638 D HA -0.100 4.540 4.640 -0.000 0.000 0.208 638 D C 0.900 177.239 176.300 0.065 0.000 0.971 638 D CA 1.162 55.197 54.000 0.058 0.000 0.867 638 D CB -0.356 40.475 40.800 0.050 0.000 0.929 638 D HN 0.537 nan 8.370 nan 0.000 0.492 639 D N 0.114 120.560 120.400 0.077 0.000 2.349 639 D HA 0.029 4.669 4.640 -0.000 0.000 0.224 639 D C 0.681 177.046 176.300 0.109 0.000 1.029 639 D CA 0.072 54.128 54.000 0.094 0.000 0.879 639 D CB 0.931 41.781 40.800 0.083 0.000 0.906 639 D HN 0.268 nan 8.370 nan 0.000 0.528 640 I N 3.146 123.761 120.570 0.075 0.000 2.352 640 I HA 0.032 4.202 4.170 -0.000 0.000 0.290 640 I C -0.992 175.105 176.117 -0.034 0.000 1.036 640 I CA -1.362 59.941 61.300 0.006 0.000 1.336 640 I CB 1.604 39.600 38.000 -0.007 0.000 1.407 640 I HN -0.207 nan 8.210 nan 0.000 0.497 641 P HA 0.055 nan 4.420 nan 0.000 0.230 641 P C 0.980 178.215 177.300 -0.108 0.000 1.168 641 P CA 0.640 63.677 63.100 -0.104 0.000 0.793 641 P CB 0.601 32.166 31.700 -0.225 0.000 0.851 642 G N -0.343 108.372 108.800 -0.141 0.000 2.651 642 G HA2 0.225 4.184 3.960 -0.000 0.000 0.226 642 G HA3 0.225 4.184 3.960 -0.000 0.000 0.226 642 G C -0.217 174.633 174.900 -0.084 0.000 1.542 642 G CA 0.387 45.419 45.100 -0.114 0.000 0.868 642 G HN 0.412 nan 8.290 nan 0.000 0.588 643 S N -0.817 114.826 115.700 -0.095 0.000 2.562 643 S HA 0.327 4.797 4.470 -0.000 0.000 0.274 643 S C -0.983 173.558 174.600 -0.099 0.000 1.160 643 S CA -0.595 57.556 58.200 -0.082 0.000 0.933 643 S CB 1.624 64.774 63.200 -0.083 0.000 1.100 643 S HN 0.236 nan 8.310 nan 0.000 0.468 644 N N 2.973 121.628 118.700 -0.076 0.000 2.327 644 N HA 0.166 4.905 4.740 -0.000 0.000 0.231 644 N C -0.284 175.174 175.510 -0.087 0.000 1.130 644 N CA -0.087 52.914 53.050 -0.082 0.000 0.845 644 N CB 0.308 38.778 38.487 -0.029 0.000 1.073 644 N HN 0.726 nan 8.380 nan 0.000 0.496 645 E N -0.160 119.977 120.200 -0.106 0.000 2.158 645 E HA 0.374 4.723 4.350 -0.000 0.000 0.271 645 E C -1.119 175.363 176.600 -0.198 0.000 0.911 645 E CA -0.388 55.945 56.400 -0.112 0.000 0.767 645 E CB 1.263 30.915 29.700 -0.080 0.000 1.120 645 E HN 0.105 nan 8.360 nan 0.000 0.405 646 T N 2.010 116.422 114.554 -0.238 0.000 2.671 646 T HA 0.725 5.074 4.350 -0.000 0.000 0.300 646 T C -0.787 173.667 174.700 -0.410 0.000 1.238 646 T CA 0.478 62.309 62.100 -0.448 0.000 1.020 646 T CB 1.202 69.792 68.868 -0.465 0.000 1.503 646 T HN 0.963 nan 8.240 nan 0.000 0.497 647 G N 0.499 108.896 108.800 -0.671 0.000 2.662 647 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.686 647 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.686 647 G C 0.199 175.040 174.900 -0.099 0.000 1.271 647 G CA -0.137 44.813 45.100 -0.250 0.000 0.816 647 G HN 1.006 nan 8.290 nan 0.000 0.608 648 L N -0.331 120.977 121.223 0.142 0.000 2.127 648 L HA 0.270 4.610 4.340 -0.000 0.000 0.211 648 L C 2.011 178.640 176.870 -0.402 0.000 1.089 648 L CA 2.290 57.136 54.840 0.008 0.000 0.757 648 L CB -0.414 41.653 42.059 0.013 0.000 0.899 648 L HN 0.537 nan 8.230 nan 0.000 0.434 649 F N -0.786 119.185 119.950 0.034 0.000 2.668 649 F HA 0.286 4.813 4.527 -0.000 0.000 0.301 649 F C 0.948 176.733 175.800 -0.025 0.000 1.106 649 F CA -0.524 57.478 58.000 0.002 0.000 1.289 649 F CB -0.250 38.736 39.000 -0.023 0.000 1.006 649 F HN 0.013 nan 8.300 nan 0.000 0.535 650 N N 1.600 120.311 118.700 0.019 0.000 2.735 650 N HA -0.193 4.547 4.740 -0.000 0.000 0.248 650 N C -0.244 175.270 175.510 0.008 0.000 1.083 650 N CA 1.211 54.242 53.050 -0.031 0.000 0.703 650 N CB -0.978 37.492 38.487 -0.029 0.000 1.005 650 N HN 0.513 nan 8.380 nan 0.000 0.550 651 D N -0.902 119.517 120.400 0.032 0.000 2.462 651 D HA 0.158 4.798 4.640 -0.000 0.000 0.221 651 D C 0.168 176.484 176.300 0.028 0.000 1.173 651 D CA 0.157 54.180 54.000 0.037 0.000 0.831 651 D CB 0.299 41.125 40.800 0.044 0.000 1.001 651 D HN 0.355 nan 8.370 nan 0.000 0.499 652 E N -0.061 120.138 120.200 -0.001 0.000 2.277 652 E HA 0.466 4.816 4.350 -0.000 0.000 0.266 652 E C -0.437 176.162 176.600 -0.002 0.000 0.901 652 E CA -0.908 55.500 56.400 0.014 0.000 0.782 652 E CB 1.813 31.510 29.700 -0.006 0.000 1.228 652 E HN 0.152 nan 8.360 nan 0.000 0.424 653 T N -1.874 112.714 114.554 0.058 0.000 2.928 653 T HA 0.241 4.591 4.350 -0.000 0.000 0.284 653 T C 1.063 175.743 174.700 -0.033 0.000 1.008 653 T CA -0.822 61.290 62.100 0.020 0.000 1.057 653 T CB 1.325 70.237 68.868 0.072 0.000 1.018 653 T HN 0.154 nan 8.240 nan 0.000 0.493 654 V N 0.860 120.692 119.914 -0.136 0.000 2.270 654 V HA 0.121 4.240 4.120 -0.000 0.000 0.245 654 V C 0.467 176.365 176.094 -0.326 0.000 1.043 654 V CA 1.186 63.304 62.300 -0.304 0.000 1.014 654 V CB -0.672 30.874 31.823 -0.461 0.000 0.645 654 V HN 0.858 nan 8.190 nan 0.000 0.447 655 F N -0.881 119.042 119.950 -0.045 0.000 2.507 655 F HA 0.695 5.222 4.527 -0.001 0.000 0.325 655 F C 0.316 176.069 175.800 -0.078 0.000 1.116 655 F CA -0.951 57.009 58.000 -0.067 0.000 0.930 655 F CB 1.223 40.181 39.000 -0.070 0.000 1.146 655 F HN 0.029 nan 8.300 nan 0.000 0.447 656 A N 3.783 126.627 122.820 0.040 0.000 2.498 656 A HA 0.197 4.517 4.320 -0.000 0.000 0.239 656 A C 0.732 178.335 177.584 0.031 0.000 1.068 656 A CA -0.068 51.936 52.037 -0.055 0.000 0.766 656 A CB 0.727 19.547 19.000 -0.300 0.000 1.003 656 A HN 1.016 nan 8.150 nan 0.000 0.497 657 K N 0.029 120.460 120.400 0.051 0.000 2.167 657 K HA 0.037 4.357 4.320 -0.000 0.000 0.214 657 K C 0.441 177.070 176.600 0.048 0.000 1.024 657 K CA 1.096 57.416 56.287 0.054 0.000 0.951 657 K CB 0.174 32.708 32.500 0.056 0.000 0.907 657 K HN 0.799 nan 8.250 nan 0.000 0.459 658 D N -0.913 119.522 120.400 0.059 0.000 2.454 658 D HA -0.010 4.630 4.640 -0.000 0.000 0.219 658 D C 0.082 176.429 176.300 0.077 0.000 1.081 658 D CA 0.424 54.456 54.000 0.054 0.000 0.867 658 D CB 1.178 42.007 40.800 0.049 0.000 1.054 658 D HN 0.193 nan 8.370 nan 0.000 0.500 659 T N 0.968 115.589 114.554 0.111 0.000 2.928 659 T HA 0.432 4.782 4.350 -0.000 0.000 0.296 659 T C -0.577 174.267 174.700 0.241 0.000 1.000 659 T CA -0.753 61.444 62.100 0.162 0.000 0.989 659 T CB 1.604 70.566 68.868 0.156 0.000 1.005 659 T HN -0.097 nan 8.240 nan 0.000 0.442 660 V N 3.243 123.333 119.914 0.293 0.000 2.617 660 V HA 0.816 4.936 4.120 -0.000 0.000 0.298 660 V C 0.937 177.281 176.094 0.416 0.000 1.048 660 V CA 0.058 62.624 62.300 0.443 0.000 0.964 660 V CB 1.080 33.125 31.823 0.370 0.000 1.004 660 V HN 1.077 nan 8.190 nan 0.000 0.466 661 T N -1.489 113.266 114.554 0.335 0.000 3.111 661 T HA 0.399 4.749 4.350 -0.000 0.000 0.284 661 T C 0.192 174.819 174.700 -0.121 0.000 0.983 661 T CA 0.379 62.469 62.100 -0.016 0.000 0.900 661 T CB -0.643 68.133 68.868 -0.153 0.000 1.132 661 T HN 1.670 nan 8.240 nan 0.000 0.531 662 C N -1.768 117.514 119.300 -0.030 0.000 3.275 662 C HA 0.680 5.140 4.460 -0.000 0.000 0.340 662 C C 1.314 176.341 174.990 0.062 0.000 1.366 662 C CA -0.550 58.459 59.018 -0.014 0.000 1.227 662 C CB 0.742 28.444 27.740 -0.063 0.000 1.512 662 C HN 0.003 nan 8.230 nan 0.000 0.461 663 V N 1.681 121.617 119.914 0.036 0.000 2.332 663 V HA -0.001 4.118 4.120 -0.000 0.000 0.248 663 V C 2.349 178.499 176.094 0.093 0.000 1.055 663 V CA 2.998 65.325 62.300 0.046 0.000 1.038 663 V CB -0.873 30.965 31.823 0.025 0.000 0.651 663 V HN 1.225 nan 8.190 nan 0.000 0.450 664 G N -2.204 106.662 108.800 0.109 0.000 3.383 664 G HA2 0.039 3.999 3.960 -0.000 0.000 0.251 664 G HA3 0.039 3.999 3.960 -0.000 0.000 0.251 664 G C 0.367 175.387 174.900 0.199 0.000 1.203 664 G CA -0.352 44.830 45.100 0.137 0.000 0.852 664 G HN 0.614 nan 8.290 nan 0.000 0.531 665 H N 0.137 119.262 119.070 0.091 0.000 2.897 665 H HA 0.184 4.740 4.556 -0.000 0.000 0.347 665 H C -0.122 175.286 175.328 0.134 0.000 1.068 665 H CA -0.436 55.675 56.048 0.104 0.000 1.426 665 H CB 0.785 30.610 29.762 0.105 0.000 1.410 665 H HN -0.010 nan 8.280 nan 0.000 0.597 666 I N 6.601 127.272 120.570 0.168 0.000 2.342 666 I HA -0.046 4.124 4.170 -0.000 0.000 0.291 666 I C 0.785 176.936 176.117 0.057 0.000 1.010 666 I CA 0.160 61.541 61.300 0.136 0.000 1.308 666 I CB 1.087 39.216 38.000 0.215 0.000 1.400 666 I HN 0.649 nan 8.210 nan 0.000 0.488 667 I N 4.433 125.047 120.570 0.073 0.000 3.616 667 I HA 0.334 4.503 4.170 -0.000 0.000 0.296 667 I C 1.075 177.098 176.117 -0.156 0.000 1.226 667 I CA 0.139 61.447 61.300 0.013 0.000 1.394 667 I CB 0.446 38.479 38.000 0.056 0.000 1.171 667 I HN 0.722 nan 8.210 nan 0.000 0.442 668 G N 0.441 109.054 108.800 -0.312 0.000 2.428 668 G HA2 0.710 4.670 3.960 -0.000 0.000 0.304 668 G HA3 0.710 4.670 3.960 -0.000 0.000 0.304 668 G C -2.103 172.438 174.900 -0.598 0.000 1.303 668 G CA 0.130 44.640 45.100 -0.984 0.000 0.825 668 G HN 0.183 nan 8.290 nan 0.000 0.484 669 A N -1.471 120.918 122.820 -0.718 0.000 2.606 669 A HA 0.828 5.148 4.320 -0.000 0.000 0.293 669 A C -1.533 175.967 177.584 -0.140 0.000 1.082 669 A CA -0.480 51.435 52.037 -0.202 0.000 0.685 669 A CB 1.789 20.785 19.000 -0.007 0.000 1.284 669 A HN 1.616 nan 8.150 nan 0.000 0.408 670 V N 0.901 120.868 119.914 0.089 0.000 2.555 670 V HA 0.627 4.747 4.120 -0.000 0.000 0.302 670 V C -0.615 175.511 176.094 0.052 0.000 1.038 670 V CA -0.441 61.957 62.300 0.163 0.000 0.887 670 V CB 1.781 33.787 31.823 0.306 0.000 0.991 670 V HN 0.749 nan 8.190 nan 0.000 0.434 671 V N 3.888 123.755 119.914 -0.078 0.000 2.540 671 V HA 0.950 5.070 4.120 -0.000 0.000 0.302 671 V C 0.146 176.142 176.094 -0.163 0.000 1.035 671 V CA -0.112 62.134 62.300 -0.090 0.000 0.873 671 V CB 1.430 33.174 31.823 -0.132 0.000 0.992 671 V HN 1.088 nan 8.190 nan 0.000 0.428 672 A N 3.036 125.860 122.820 0.007 0.000 2.533 672 A HA 0.731 5.051 4.320 -0.000 0.000 0.293 672 A C 0.284 177.971 177.584 0.173 0.000 1.228 672 A CA 0.059 52.130 52.037 0.056 0.000 0.689 672 A CB 1.446 20.542 19.000 0.159 0.000 1.303 672 A HN 0.740 nan 8.150 nan 0.000 0.444 673 D N -0.640 119.883 120.400 0.204 0.000 2.348 673 D HA 0.098 4.738 4.640 -0.000 0.000 0.211 673 D C 0.575 177.029 176.300 0.257 0.000 0.998 673 D CA 1.436 55.581 54.000 0.242 0.000 0.873 673 D CB -0.058 40.854 40.800 0.186 0.000 0.925 673 D HN 0.716 nan 8.370 nan 0.000 0.524 674 T N -4.233 110.364 114.554 0.071 0.000 2.900 674 T HA 0.424 4.773 4.350 -0.000 0.000 0.303 674 T C -2.420 172.017 174.700 -0.439 0.000 1.142 674 T CA -1.525 60.335 62.100 -0.401 0.000 1.007 674 T CB 2.716 71.311 68.868 -0.453 0.000 1.156 674 T HN -0.357 nan 8.240 nan 0.000 0.490 675 P HA 0.005 nan 4.420 nan 0.000 0.221 675 P C 0.945 178.158 177.300 -0.146 0.000 1.150 675 P CA 0.980 63.882 63.100 -0.331 0.000 0.800 675 P CB 0.257 31.745 31.700 -0.353 0.000 0.787 676 E N -0.706 119.365 120.200 -0.214 0.000 2.051 676 E HA -0.197 4.152 4.350 -0.000 0.000 0.192 676 E C 2.171 178.778 176.600 0.012 0.000 0.991 676 E CA 1.238 57.563 56.400 -0.124 0.000 0.799 676 E CB -0.869 28.704 29.700 -0.211 0.000 0.748 676 E HN 0.382 nan 8.360 nan 0.000 0.449 677 H N -0.353 118.710 119.070 -0.012 0.000 2.423 677 H HA 0.087 4.642 4.556 -0.000 0.000 0.297 677 H C 1.910 177.292 175.328 0.090 0.000 1.075 677 H CA 1.228 57.304 56.048 0.047 0.000 1.342 677 H CB -0.574 29.222 29.762 0.056 0.000 1.395 677 H HN 0.228 nan 8.280 nan 0.000 0.530 678 A N 0.827 123.761 122.820 0.191 0.000 1.873 678 A HA -0.184 4.135 4.320 -0.000 0.000 0.215 678 A C 2.369 180.056 177.584 0.171 0.000 1.186 678 A CA 1.634 53.782 52.037 0.185 0.000 0.616 678 A CB -0.446 18.657 19.000 0.171 0.000 0.823 678 A HN 0.486 nan 8.150 nan 0.000 0.442 679 E N -0.545 119.733 120.200 0.129 0.000 2.085 679 E HA -0.243 4.106 4.350 -0.000 0.000 0.194 679 E C 2.320 179.009 176.600 0.147 0.000 0.994 679 E CA 1.263 57.735 56.400 0.120 0.000 0.801 679 E CB -0.128 29.615 29.700 0.071 0.000 0.743 679 E HN 0.553 nan 8.360 nan 0.000 0.453 680 R N -0.407 120.183 120.500 0.150 0.000 2.090 680 R HA -0.071 4.269 4.340 -0.000 0.000 0.228 680 R C 2.172 178.564 176.300 0.154 0.000 1.110 680 R CA 1.058 57.250 56.100 0.153 0.000 0.973 680 R CB -0.116 30.274 30.300 0.150 0.000 0.869 680 R HN 0.172 nan 8.270 nan 0.000 0.440 681 A N 0.469 123.392 122.820 0.171 0.000 1.897 681 A HA 0.004 4.324 4.320 -0.000 0.000 0.215 681 A C 2.257 179.934 177.584 0.154 0.000 1.181 681 A CA 1.315 53.452 52.037 0.165 0.000 0.620 681 A CB -0.491 18.694 19.000 0.309 0.000 0.821 681 A HN 0.453 nan 8.150 nan 0.000 0.443 682 A N -0.759 122.174 122.820 0.189 0.000 1.877 682 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 682 A C 2.010 179.678 177.584 0.140 0.000 1.186 682 A CA 2.079 54.222 52.037 0.176 0.000 0.620 682 A CB -0.978 18.136 19.000 0.189 0.000 0.822 682 A HN 0.703 nan 8.150 nan 0.000 0.443 683 H N -0.846 118.269 119.070 0.074 0.000 2.460 683 H HA -0.039 4.516 4.556 -0.000 0.000 0.297 683 H C 1.414 176.760 175.328 0.030 0.000 1.103 683 H CA 1.750 57.831 56.048 0.054 0.000 1.292 683 H CB -0.040 29.753 29.762 0.051 0.000 1.376 683 H HN 0.154 nan 8.280 nan 0.000 0.531 684 V N 0.215 120.080 119.914 -0.082 0.000 3.647 684 V HA 0.080 4.200 4.120 -0.000 0.000 0.279 684 V C 0.190 176.195 176.094 -0.148 0.000 1.314 684 V CA 0.120 62.335 62.300 -0.141 0.000 1.125 684 V CB 0.215 31.998 31.823 -0.067 0.000 0.907 684 V HN 0.090 nan 8.190 nan 0.000 0.434 685 V N 1.812 121.648 119.914 -0.129 0.000 2.485 685 V HA 0.101 4.221 4.120 -0.000 0.000 0.287 685 V C 0.306 176.298 176.094 -0.169 0.000 1.022 685 V CA 0.070 62.264 62.300 -0.177 0.000 1.067 685 V CB 0.758 32.477 31.823 -0.173 0.000 0.967 685 V HN 0.348 nan 8.190 nan 0.000 0.479 686 K N 3.896 124.183 120.400 -0.188 0.000 2.211 686 K HA 0.582 4.902 4.320 -0.000 0.000 0.275 686 K C -0.871 175.617 176.600 -0.187 0.000 1.024 686 K CA -0.218 55.975 56.287 -0.156 0.000 0.887 686 K CB 1.596 34.014 32.500 -0.138 0.000 1.084 686 K HN 0.514 nan 8.250 nan 0.000 0.463 687 V N 2.867 122.671 119.914 -0.183 0.000 2.513 687 V HA 0.400 4.519 4.120 -0.000 0.000 0.299 687 V C -0.320 175.518 176.094 -0.426 0.000 1.035 687 V CA -0.870 61.223 62.300 -0.344 0.000 0.889 687 V CB 1.951 33.511 31.823 -0.437 0.000 0.988 687 V HN 0.770 nan 8.190 nan 0.000 0.440 688 T N 4.420 118.711 114.554 -0.438 0.000 2.794 688 T HA 0.701 5.050 4.350 -0.000 0.000 0.280 688 T C -0.979 173.478 174.700 -0.405 0.000 0.987 688 T CA -0.213 61.705 62.100 -0.303 0.000 0.993 688 T CB 0.748 69.526 68.868 -0.151 0.000 0.939 688 T HN 0.456 nan 8.240 nan 0.000 0.449 689 Y N 0.775 121.070 120.300 -0.009 0.000 2.562 689 Y HA 0.548 5.098 4.550 -0.000 0.000 0.343 689 Y C 0.392 176.286 175.900 -0.010 0.000 1.025 689 Y CA -1.288 56.810 58.100 -0.004 0.000 1.082 689 Y CB 1.673 40.136 38.460 0.005 0.000 1.264 689 Y HN 0.611 nan 8.280 nan 0.000 0.478 690 E N 1.834 122.129 120.200 0.159 0.000 2.185 690 E HA 0.221 4.571 4.350 -0.000 0.000 0.261 690 E C -1.493 175.137 176.600 0.050 0.000 0.879 690 E CA -0.840 55.607 56.400 0.078 0.000 0.756 690 E CB 0.808 30.527 29.700 0.033 0.000 1.152 690 E HN 0.543 nan 8.360 nan 0.000 0.416 691 D N 3.760 124.174 120.400 0.024 0.000 2.443 691 D HA 0.151 4.791 4.640 -0.000 0.000 0.239 691 D C -0.185 176.069 176.300 -0.076 0.000 1.136 691 D CA 0.505 54.490 54.000 -0.025 0.000 0.879 691 D CB 0.797 41.583 40.800 -0.023 0.000 1.195 691 D HN 0.436 nan 8.370 nan 0.000 0.443 692 L N 3.278 124.407 121.223 -0.157 0.000 2.342 692 L HA 0.371 4.711 4.340 -0.000 0.000 0.271 692 L C -2.080 174.710 176.870 -0.133 0.000 1.008 692 L CA -1.972 52.717 54.840 -0.252 0.000 0.818 692 L CB 2.147 43.812 42.059 -0.657 0.000 1.296 692 L HN 0.163 nan 8.230 nan 0.000 0.427 693 P HA 0.100 nan 4.420 nan 0.000 0.266 693 P C -1.103 176.283 177.300 0.143 0.000 1.195 693 P CA -0.115 63.001 63.100 0.026 0.000 0.768 693 P CB 0.928 32.635 31.700 0.012 0.000 0.838 694 A N 3.427 126.302 122.820 0.091 0.000 2.380 694 A HA 0.726 5.046 4.320 -0.000 0.000 0.315 694 A C -0.457 177.121 177.584 -0.010 0.000 1.101 694 A CA -0.889 51.196 52.037 0.080 0.000 0.771 694 A CB 0.974 20.006 19.000 0.052 0.000 1.287 694 A HN 0.470 nan 8.150 nan 0.000 0.436 695 I N 2.346 122.877 120.570 -0.065 0.000 2.382 695 I HA 0.328 4.497 4.170 -0.000 0.000 0.286 695 I C -0.044 176.006 176.117 -0.111 0.000 1.002 695 I CA 0.009 61.251 61.300 -0.097 0.000 1.135 695 I CB 1.531 39.451 38.000 -0.134 0.000 1.288 695 I HN 0.681 nan 8.210 nan 0.000 0.448 696 I N 3.011 123.520 120.570 -0.101 0.000 3.366 696 I HA 0.033 4.202 4.170 -0.000 0.000 0.267 696 I C 1.297 177.345 176.117 -0.115 0.000 1.149 696 I CA 0.594 61.820 61.300 -0.124 0.000 1.436 696 I CB 0.354 38.284 38.000 -0.117 0.000 1.379 696 I HN 0.624 nan 8.210 nan 0.000 0.460 697 T N -1.366 113.137 114.554 -0.085 0.000 2.847 697 T HA 0.371 4.720 4.350 -0.000 0.000 0.279 697 T C 1.333 176.005 174.700 -0.045 0.000 0.984 697 T CA -0.444 61.620 62.100 -0.060 0.000 0.988 697 T CB 1.188 70.023 68.868 -0.056 0.000 1.040 697 T HN 0.057 nan 8.240 nan 0.000 0.528 698 I N 0.686 121.256 120.570 0.000 0.000 2.226 698 I HA -0.176 3.993 4.170 -0.000 0.000 0.245 698 I C 2.586 178.675 176.117 -0.048 0.000 1.100 698 I CA 1.539 62.850 61.300 0.018 0.000 1.374 698 I CB -0.464 37.604 38.000 0.114 0.000 1.057 698 I HN 0.731 nan 8.210 nan 0.000 0.413 699 E N 0.929 121.096 120.200 -0.055 0.000 2.085 699 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 699 E C 1.787 178.336 176.600 -0.084 0.000 0.994 699 E CA 1.442 57.797 56.400 -0.075 0.000 0.801 699 E CB -0.299 29.365 29.700 -0.060 0.000 0.743 699 E HN 0.417 nan 8.360 nan 0.000 0.453 700 D N 0.097 120.449 120.400 -0.080 0.000 2.117 700 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 700 D C 1.875 178.096 176.300 -0.132 0.000 0.987 700 D CA 1.508 55.453 54.000 -0.092 0.000 0.829 700 D CB -0.300 40.449 40.800 -0.085 0.000 0.961 700 D HN 0.230 nan 8.370 nan 0.000 0.460 701 A N 0.668 123.399 122.820 -0.148 0.000 1.898 701 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 701 A C 2.381 179.777 177.584 -0.313 0.000 1.181 701 A CA 0.785 52.679 52.037 -0.239 0.000 0.620 701 A CB -0.652 18.233 19.000 -0.192 0.000 0.819 701 A HN 0.176 nan 8.150 nan 0.000 0.442 702 I N 0.551 121.021 120.570 -0.167 0.000 2.127 702 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 702 I C 2.575 178.632 176.117 -0.101 0.000 1.075 702 I CA 2.092 63.341 61.300 -0.086 0.000 1.334 702 I CB -0.319 37.597 38.000 -0.140 0.000 1.040 702 I HN 0.505 nan 8.210 nan 0.000 0.405 703 K N 0.626 120.964 120.400 -0.104 0.000 2.211 703 K HA -0.117 4.203 4.320 -0.000 0.000 0.203 703 K C 1.289 177.831 176.600 -0.097 0.000 1.050 703 K CA 1.491 57.732 56.287 -0.078 0.000 0.945 703 K CB -0.281 32.181 32.500 -0.063 0.000 0.732 703 K HN 0.326 nan 8.250 nan 0.000 0.451 704 N N 1.259 119.870 118.700 -0.148 0.000 2.336 704 N HA -0.032 4.708 4.740 -0.000 0.000 0.189 704 N C -0.547 174.820 175.510 -0.239 0.000 1.113 704 N CA 0.197 53.150 53.050 -0.162 0.000 0.858 704 N CB -0.020 38.370 38.487 -0.160 0.000 0.970 704 N HN 0.278 nan 8.380 nan 0.000 0.471 705 N N 0.270 118.776 118.700 -0.324 0.000 2.740 705 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 705 N C -0.949 174.073 175.510 -0.814 0.000 1.062 705 N CA 0.387 53.151 53.050 -0.477 0.000 0.704 705 N CB -0.932 37.481 38.487 -0.125 0.000 0.968 705 N HN -0.008 nan 8.380 nan 0.000 0.547 706 S N 0.977 116.045 115.700 -1.053 0.000 2.921 706 S HA 0.544 5.014 4.470 -0.000 0.000 0.244 706 S C -0.688 173.439 174.600 -0.789 0.000 1.291 706 S CA -0.554 57.215 58.200 -0.719 0.000 1.010 706 S CB -0.231 62.688 63.200 -0.468 0.000 1.255 706 S HN 0.299 nan 8.310 nan 0.000 0.492 707 F N 2.264 122.100 119.950 -0.190 0.000 2.577 707 F HA 0.496 5.023 4.527 -0.000 0.000 0.318 707 F C -0.418 175.239 175.800 -0.239 0.000 1.065 707 F CA -1.354 56.535 58.000 -0.186 0.000 0.929 707 F CB 1.238 40.208 39.000 -0.049 0.000 1.237 707 F HN 0.274 nan 8.300 nan 0.000 0.468 708 Y N 1.086 121.496 120.300 0.184 0.000 2.313 708 Y HA 0.488 5.038 4.550 -0.000 0.000 0.332 708 Y C 0.951 176.888 175.900 0.061 0.000 1.071 708 Y CA 0.010 58.156 58.100 0.077 0.000 1.169 708 Y CB 0.956 39.432 38.460 0.026 0.000 1.192 708 Y HN 0.917 nan 8.280 nan 0.000 0.487 709 G N 2.014 110.925 108.800 0.185 0.000 2.633 709 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.263 709 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.263 709 G C -0.330 174.612 174.900 0.071 0.000 1.310 709 G CA -0.165 44.990 45.100 0.092 0.000 0.914 709 G HN 1.042 nan 8.290 nan 0.000 0.569 710 S N -1.280 114.433 115.700 0.022 0.000 2.689 710 S HA 0.675 5.144 4.470 -0.000 0.000 0.306 710 S C -0.001 174.552 174.600 -0.080 0.000 1.104 710 S CA 0.348 58.536 58.200 -0.021 0.000 0.973 710 S CB 2.075 65.270 63.200 -0.008 0.000 1.121 710 S HN 1.206 nan 8.310 nan 0.000 0.523 711 E N 0.048 120.176 120.200 -0.119 0.000 2.653 711 E HA 0.027 4.377 4.350 -0.000 0.000 0.264 711 E C -1.048 175.466 176.600 -0.143 0.000 0.949 711 E CA 0.148 56.455 56.400 -0.154 0.000 0.953 711 E CB 0.207 29.830 29.700 -0.129 0.000 0.925 711 E HN 0.511 nan 8.360 nan 0.000 0.475 712 L N 4.361 125.471 121.223 -0.189 0.000 2.334 712 L HA 0.502 4.842 4.340 -0.000 0.000 0.275 712 L C 0.018 176.824 176.870 -0.107 0.000 1.036 712 L CA -0.481 54.222 54.840 -0.227 0.000 0.807 712 L CB 1.424 43.263 42.059 -0.367 0.000 1.231 712 L HN 0.539 nan 8.230 nan 0.000 0.438 713 K N 2.914 123.308 120.400 -0.011 0.000 2.523 713 K HA 0.641 4.961 4.320 -0.000 0.000 0.257 713 K C -1.764 175.004 176.600 0.280 0.000 0.932 713 K CA -0.528 55.827 56.287 0.115 0.000 0.812 713 K CB 2.141 34.694 32.500 0.088 0.000 1.326 713 K HN 0.452 nan 8.250 nan 0.000 0.433 714 I N 2.165 122.883 120.570 0.247 0.000 2.582 714 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 714 I C -1.068 175.187 176.117 0.229 0.000 1.066 714 I CA -0.676 60.789 61.300 0.274 0.000 1.053 714 I CB 2.253 40.434 38.000 0.303 0.000 1.241 714 I HN 0.644 nan 8.210 nan 0.000 0.421 715 E N 6.068 126.389 120.200 0.201 0.000 2.291 715 E HA 0.418 4.768 4.350 -0.000 0.000 0.276 715 E C -1.645 175.036 176.600 0.136 0.000 0.896 715 E CA -0.767 55.727 56.400 0.155 0.000 0.774 715 E CB 2.430 32.202 29.700 0.119 0.000 1.227 715 E HN 0.557 nan 8.360 nan 0.000 0.413 716 K N 3.194 123.668 120.400 0.122 0.000 2.426 716 K HA 0.711 5.031 4.320 -0.000 0.000 0.251 716 K C 0.009 176.641 176.600 0.054 0.000 0.941 716 K CA 0.221 56.563 56.287 0.092 0.000 0.808 716 K CB 1.664 34.231 32.500 0.112 0.000 1.265 716 K HN 0.730 nan 8.250 nan 0.000 0.432 717 G N 2.149 110.970 108.800 0.035 0.000 2.553 717 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.242 717 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.242 717 G C -1.294 173.613 174.900 0.012 0.000 1.277 717 G CA 0.066 45.172 45.100 0.011 0.000 0.910 717 G HN 0.683 nan 8.290 nan 0.000 0.576 718 D N -0.027 120.371 120.400 -0.004 0.000 2.505 718 D HA 0.605 5.245 4.640 -0.000 0.000 0.250 718 D C 1.427 177.726 176.300 -0.001 0.000 1.164 718 D CA -0.529 53.474 54.000 0.006 0.000 0.870 718 D CB 1.322 42.123 40.800 0.001 0.000 1.160 718 D HN 0.310 nan 8.370 nan 0.000 0.549 719 L N 2.605 123.853 121.223 0.041 0.000 2.007 719 L HA 0.059 4.399 4.340 -0.000 0.000 0.205 719 L C 1.106 178.087 176.870 0.184 0.000 1.073 719 L CA 0.786 55.682 54.840 0.094 0.000 0.744 719 L CB -0.206 41.960 42.059 0.179 0.000 0.898 719 L HN 0.220 nan 8.230 nan 0.000 0.435 720 K N 1.103 121.600 120.400 0.161 0.000 2.511 720 K HA -0.120 4.200 4.320 -0.000 0.000 0.280 720 K C 0.511 177.151 176.600 0.067 0.000 1.008 720 K CA 0.620 56.983 56.287 0.127 0.000 1.050 720 K CB 0.546 33.089 32.500 0.071 0.000 0.889 720 K HN 0.151 nan 8.250 nan 0.000 0.484 721 K N 0.670 121.104 120.400 0.057 0.000 5.752 721 K HA -0.197 4.122 4.320 -0.000 0.000 0.465 721 K C 1.583 178.163 176.600 -0.033 0.000 0.351 721 K CA 0.941 57.233 56.287 0.008 0.000 1.972 721 K CB -1.820 30.678 32.500 -0.003 0.000 0.559 721 K HN 0.793 nan 8.250 nan 0.000 0.660 722 G N 0.733 109.484 108.800 -0.082 0.000 2.586 722 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.218 722 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.218 722 G C 1.256 176.008 174.900 -0.247 0.000 1.216 722 G CA 1.676 46.647 45.100 -0.216 0.000 0.786 722 G HN 0.308 nan 8.290 nan 0.000 0.583 723 F N 1.755 121.674 119.950 -0.051 0.000 2.171 723 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 723 F C 3.200 178.963 175.800 -0.062 0.000 1.090 723 F CA 1.510 59.472 58.000 -0.063 0.000 1.293 723 F CB -0.166 38.800 39.000 -0.057 0.000 1.013 723 F HN 0.288 nan 8.300 nan 0.000 0.486 724 S N 0.204 115.972 115.700 0.112 0.000 2.474 724 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 724 S C 1.487 176.089 174.600 0.005 0.000 0.997 724 S CA 1.297 59.526 58.200 0.049 0.000 0.949 724 S CB -0.680 62.541 63.200 0.034 0.000 0.766 724 S HN 0.718 nan 8.310 nan 0.000 0.517 725 E N 0.564 120.751 120.200 -0.022 0.000 2.498 725 E HA 0.459 4.809 4.350 -0.000 0.000 0.203 725 E C 0.523 177.086 176.600 -0.062 0.000 1.013 725 E CA -0.039 56.337 56.400 -0.041 0.000 0.927 725 E CB 0.164 29.837 29.700 -0.045 0.000 1.012 725 E HN 0.520 nan 8.360 nan 0.000 0.482 726 A N 1.527 124.302 122.820 -0.075 0.000 2.477 726 A HA 0.039 4.359 4.320 -0.000 0.000 0.246 726 A C 0.487 177.991 177.584 -0.133 0.000 1.078 726 A CA -0.179 51.786 52.037 -0.120 0.000 0.770 726 A CB 0.401 19.318 19.000 -0.138 0.000 1.011 726 A HN 0.135 nan 8.150 nan 0.000 0.494 727 D N 0.720 121.018 120.400 -0.171 0.000 2.149 727 D HA -0.021 4.619 4.640 -0.000 0.000 0.201 727 D C 0.192 176.348 176.300 -0.240 0.000 0.972 727 D CA 1.329 55.233 54.000 -0.159 0.000 0.835 727 D CB 0.186 40.914 40.800 -0.120 0.000 0.966 727 D HN 0.563 nan 8.370 nan 0.000 0.476 728 N N -0.740 117.679 118.700 -0.469 0.000 2.525 728 N HA 0.380 5.119 4.740 -0.000 0.000 0.270 728 N C -1.307 173.790 175.510 -0.687 0.000 1.321 728 N CA -0.437 52.235 53.050 -0.631 0.000 0.797 728 N CB 3.216 41.111 38.487 -0.987 0.000 1.529 728 N HN -0.273 nan 8.380 nan 0.000 0.491 729 V N 0.822 120.521 119.914 -0.358 0.000 3.007 729 V HA 0.633 4.752 4.120 -0.000 0.000 0.311 729 V C -0.751 175.406 176.094 0.105 0.000 1.120 729 V CA -0.633 61.619 62.300 -0.080 0.000 0.980 729 V CB 2.584 34.404 31.823 -0.005 0.000 1.033 729 V HN 0.373 nan 8.190 nan 0.000 0.429 730 V N 2.332 122.396 119.914 0.250 0.000 2.888 730 V HA 0.837 4.957 4.120 -0.000 0.000 0.309 730 V C -0.464 175.696 176.094 0.110 0.000 1.114 730 V CA -0.336 62.101 62.300 0.228 0.000 0.940 730 V CB 2.375 34.418 31.823 0.367 0.000 1.021 730 V HN 1.073 nan 8.190 nan 0.000 0.426 731 S N 1.954 117.634 115.700 -0.034 0.000 2.651 731 S HA 1.045 5.515 4.470 -0.000 0.000 0.279 731 S C -0.341 173.992 174.600 -0.445 0.000 1.148 731 S CA -0.099 57.930 58.200 -0.285 0.000 0.837 731 S CB 2.411 65.487 63.200 -0.206 0.000 1.138 731 S HN 1.798 nan 8.310 nan 0.000 0.478 732 G N -0.236 108.063 108.800 -0.834 0.000 2.335 732 G HA2 0.512 4.472 3.960 -0.000 0.000 0.291 732 G HA3 0.512 4.472 3.960 -0.000 0.000 0.291 732 G C -2.195 172.452 174.900 -0.421 0.000 1.261 732 G CA -0.626 44.143 45.100 -0.551 0.000 0.871 732 G HN 0.869 nan 8.290 nan 0.000 0.491 733 E N -1.045 119.183 120.200 0.047 0.000 2.331 733 E HA 0.614 4.964 4.350 -0.000 0.000 0.275 733 E C -2.001 174.835 176.600 0.394 0.000 0.895 733 E CA -0.692 55.857 56.400 0.249 0.000 0.753 733 E CB 2.675 32.468 29.700 0.154 0.000 1.216 733 E HN 0.433 nan 8.360 nan 0.000 0.434 734 L N 3.737 125.218 121.223 0.431 0.000 2.422 734 L HA 0.535 4.874 4.340 -0.000 0.000 0.264 734 L C -1.942 175.191 176.870 0.437 0.000 0.984 734 L CA -0.675 54.407 54.840 0.402 0.000 0.819 734 L CB 1.736 43.994 42.059 0.332 0.000 1.330 734 L HN 0.593 nan 8.230 nan 0.000 0.410 735 Y N 4.661 125.133 120.300 0.286 0.000 2.462 735 Y HA 0.707 5.256 4.550 -0.000 0.000 0.346 735 Y C -1.296 174.749 175.900 0.242 0.000 0.976 735 Y CA -0.993 57.261 58.100 0.257 0.000 1.044 735 Y CB 1.707 40.289 38.460 0.203 0.000 1.230 735 Y HN 0.574 nan 8.280 nan 0.000 0.455 736 I N 5.888 126.127 120.570 -0.551 0.000 2.468 736 I HA 0.581 4.751 4.170 -0.000 0.000 0.284 736 I C 0.157 175.847 176.117 -0.711 0.000 1.038 736 I CA -0.535 60.471 61.300 -0.491 0.000 1.083 736 I CB 0.720 38.565 38.000 -0.258 0.000 1.223 736 I HN 0.863 nan 8.210 nan 0.000 0.443 737 G N 4.503 113.033 108.800 -0.452 0.000 2.690 737 G HA2 0.366 4.325 3.960 -0.000 0.000 0.239 737 G HA3 0.366 4.325 3.960 -0.000 0.000 0.239 737 G C 0.458 175.294 174.900 -0.107 0.000 1.233 737 G CA 0.190 45.213 45.100 -0.128 0.000 0.847 737 G HN 0.818 nan 8.290 nan 0.000 0.588 738 G N -1.393 107.418 108.800 0.019 0.000 2.546 738 G HA2 0.510 4.470 3.960 -0.000 0.000 0.239 738 G HA3 0.510 4.470 3.960 -0.000 0.000 0.239 738 G C -0.196 174.672 174.900 -0.053 0.000 1.476 738 G CA -0.128 44.971 45.100 -0.003 0.000 1.064 738 G HN 0.775 nan 8.290 nan 0.000 0.561 739 Q N -1.360 118.415 119.800 -0.041 0.000 2.541 739 Q HA 0.224 4.564 4.340 -0.000 0.000 0.259 739 Q C -2.253 173.801 176.000 0.090 0.000 0.974 739 Q CA -0.597 55.187 55.803 -0.031 0.000 0.955 739 Q CB 2.083 30.577 28.738 -0.407 0.000 1.517 739 Q HN 0.620 nan 8.270 nan 0.000 0.412 740 D N -0.069 120.394 120.400 0.106 0.000 2.225 740 D HA 0.244 4.883 4.640 -0.000 0.000 0.249 740 D C 0.516 176.912 176.300 0.159 0.000 1.052 740 D CA -0.014 53.993 54.000 0.012 0.000 0.909 740 D CB 0.946 41.572 40.800 -0.289 0.000 1.186 740 D HN 0.587 nan 8.370 nan 0.000 0.431 741 H N 2.449 121.478 119.070 -0.069 0.000 2.357 741 H HA 0.039 4.595 4.556 -0.000 0.000 0.301 741 H C 0.399 175.544 175.328 -0.305 0.000 1.082 741 H CA 0.867 56.632 56.048 -0.473 0.000 1.342 741 H CB -0.183 29.094 29.762 -0.808 0.000 1.389 741 H HN 0.480 nan 8.280 nan 0.000 0.511 742 F N 0.805 120.525 119.950 -0.384 0.000 2.970 742 F HA -0.280 4.247 4.527 -0.000 0.000 0.251 742 F C -0.684 175.065 175.800 -0.086 0.000 0.993 742 F CA -0.516 57.366 58.000 -0.198 0.000 0.869 742 F CB -1.660 37.345 39.000 0.009 0.000 0.762 742 F HN 0.145 nan 8.300 nan 0.000 0.817 743 Y N -0.475 119.990 120.300 0.275 0.000 2.717 743 Y HA 0.066 4.616 4.550 -0.000 0.000 0.330 743 Y C 1.183 177.153 175.900 0.116 0.000 1.217 743 Y CA -1.109 57.182 58.100 0.317 0.000 1.506 743 Y CB 0.006 38.540 38.460 0.123 0.000 1.268 743 Y HN 0.100 nan 8.280 nan 0.000 0.561 744 L N 1.229 122.643 121.223 0.318 0.000 2.079 744 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 744 L C 1.158 178.061 176.870 0.054 0.000 1.081 744 L CA 1.588 56.526 54.840 0.164 0.000 0.752 744 L CB -0.558 41.581 42.059 0.134 0.000 0.896 744 L HN 0.865 nan 8.230 nan 0.000 0.433 745 E N 0.708 120.917 120.200 0.016 0.000 2.167 745 E HA 0.154 4.504 4.350 -0.000 0.000 0.284 745 E C 0.045 176.569 176.600 -0.128 0.000 1.016 745 E CA -0.301 56.047 56.400 -0.086 0.000 0.817 745 E CB 1.042 30.639 29.700 -0.171 0.000 1.080 745 E HN 0.249 nan 8.360 nan 0.000 0.397 746 T N 1.630 116.128 114.554 -0.094 0.000 2.689 746 T HA 0.089 4.438 4.350 -0.000 0.000 0.308 746 T C 0.685 175.196 174.700 -0.314 0.000 1.021 746 T CA -0.474 61.542 62.100 -0.140 0.000 0.973 746 T CB 0.298 69.180 68.868 0.025 0.000 1.113 746 T HN 0.452 nan 8.240 nan 0.000 0.522 747 H N -1.223 117.743 119.070 -0.173 0.000 2.771 747 H HA 0.411 4.967 4.556 -0.000 0.000 0.364 747 H C -0.180 175.111 175.328 -0.061 0.000 1.133 747 H CA -0.015 55.943 56.048 -0.149 0.000 1.423 747 H CB 0.745 30.457 29.762 -0.083 0.000 1.425 747 H HN 0.714 nan 8.280 nan 0.000 0.606 748 C N 2.331 121.674 119.300 0.071 0.000 3.094 748 C HA 0.286 4.746 4.460 -0.000 0.000 0.414 748 C C -0.834 174.198 174.990 0.070 0.000 0.993 748 C CA -0.275 58.781 59.018 0.063 0.000 1.217 748 C CB 0.527 28.286 27.740 0.032 0.000 1.603 748 C HN 0.886 nan 8.230 nan 0.000 0.564 749 T N 6.320 120.923 114.554 0.080 0.000 2.916 749 T HA 0.618 4.968 4.350 -0.000 0.000 0.298 749 T C -0.828 173.929 174.700 0.095 0.000 1.031 749 T CA -0.283 61.867 62.100 0.083 0.000 0.993 749 T CB 1.274 70.180 68.868 0.063 0.000 1.045 749 T HN 0.568 nan 8.240 nan 0.000 0.454 750 I N 2.199 122.854 120.570 0.141 0.000 2.404 750 I HA 0.706 4.876 4.170 -0.000 0.000 0.293 750 I C -0.006 176.201 176.117 0.149 0.000 0.992 750 I CA -0.988 60.409 61.300 0.162 0.000 1.149 750 I CB 1.623 39.778 38.000 0.259 0.000 1.315 750 I HN 0.685 nan 8.210 nan 0.000 0.446 751 A N 7.581 130.461 122.820 0.100 0.000 2.319 751 A HA 0.799 5.119 4.320 -0.000 0.000 0.310 751 A C -0.755 176.874 177.584 0.076 0.000 1.152 751 A CA -0.412 51.661 52.037 0.060 0.000 0.783 751 A CB 0.664 19.685 19.000 0.036 0.000 1.184 751 A HN 0.674 nan 8.150 nan 0.000 0.474 752 I N 4.932 125.540 120.570 0.063 0.000 2.359 752 I HA 0.329 4.498 4.170 -0.000 0.000 0.284 752 I C -2.234 173.881 176.117 -0.002 0.000 1.018 752 I CA -2.007 59.326 61.300 0.054 0.000 1.173 752 I CB 2.228 40.307 38.000 0.133 0.000 1.326 752 I HN 0.426 nan 8.210 nan 0.000 0.462 753 P HA 0.208 nan 4.420 nan 0.000 0.286 753 P C -0.302 176.966 177.300 -0.053 0.000 1.269 753 P CA -0.572 62.516 63.100 -0.019 0.000 0.787 753 P CB 1.593 33.288 31.700 -0.008 0.000 0.920 754 K N 2.270 122.647 120.400 -0.039 0.000 2.243 754 K HA 0.074 4.393 4.320 -0.000 0.000 0.201 754 K C 1.578 178.146 176.600 -0.053 0.000 1.051 754 K CA 1.082 57.340 56.287 -0.050 0.000 0.970 754 K CB -0.858 31.623 32.500 -0.032 0.000 0.755 754 K HN 0.833 nan 8.250 nan 0.000 0.465 755 G N 1.420 110.195 108.800 -0.042 0.000 2.199 755 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.254 755 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.254 755 G C -0.214 174.670 174.900 -0.027 0.000 0.982 755 G CA 0.144 45.218 45.100 -0.044 0.000 0.632 755 G HN 0.380 nan 8.290 nan 0.000 0.529 756 E N 0.495 120.684 120.200 -0.019 0.000 2.158 756 E HA 0.485 4.835 4.350 -0.000 0.000 0.271 756 E C 0.396 176.996 176.600 0.000 0.000 0.911 756 E CA -0.712 55.682 56.400 -0.011 0.000 0.767 756 E CB 0.826 30.518 29.700 -0.013 0.000 1.120 756 E HN 0.201 nan 8.360 nan 0.000 0.405 757 E N 1.539 121.742 120.200 0.005 0.000 2.805 757 E HA -0.308 4.041 4.350 -0.000 0.000 0.266 757 E C 0.753 177.364 176.600 0.019 0.000 1.092 757 E CA 1.146 57.552 56.400 0.010 0.000 0.781 757 E CB -1.354 28.348 29.700 0.003 0.000 1.379 757 E HN 1.129 nan 8.360 nan 0.000 0.433 758 G N 0.110 108.930 108.800 0.034 0.000 2.179 758 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.260 758 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.260 758 G C 0.128 175.045 174.900 0.029 0.000 0.977 758 G CA 0.546 45.676 45.100 0.050 0.000 0.641 758 G HN 0.385 nan 8.290 nan 0.000 0.533 759 E N -0.071 120.136 120.200 0.011 0.000 2.568 759 E HA 0.323 4.673 4.350 -0.000 0.000 0.262 759 E C 0.341 176.938 176.600 -0.005 0.000 0.961 759 E CA 0.774 57.172 56.400 -0.003 0.000 0.945 759 E CB 0.382 30.076 29.700 -0.010 0.000 0.924 759 E HN 0.490 nan 8.360 nan 0.000 0.467 760 M N 2.660 122.249 119.600 -0.019 0.000 2.371 760 M HA 0.205 4.685 4.480 -0.000 0.000 0.287 760 M C -1.598 174.662 176.300 -0.066 0.000 1.149 760 M CA -0.425 54.858 55.300 -0.028 0.000 0.929 760 M CB 2.109 34.703 32.600 -0.011 0.000 1.683 760 M HN 0.419 nan 8.290 nan 0.000 0.470 761 E N 3.775 123.919 120.200 -0.094 0.000 2.187 761 E HA 0.652 5.002 4.350 -0.000 0.000 0.268 761 E C -2.059 174.369 176.600 -0.287 0.000 0.896 761 E CA -0.623 55.656 56.400 -0.201 0.000 0.766 761 E CB 1.554 31.137 29.700 -0.196 0.000 1.142 761 E HN 0.603 nan 8.360 nan 0.000 0.408 762 L N 4.510 125.500 121.223 -0.388 0.000 2.385 762 L HA 0.479 4.818 4.340 -0.000 0.000 0.273 762 L C -1.174 175.403 176.870 -0.487 0.000 0.990 762 L CA -0.387 54.262 54.840 -0.319 0.000 0.821 762 L CB 1.362 43.339 42.059 -0.137 0.000 1.279 762 L HN 0.535 nan 8.230 nan 0.000 0.412 763 F N 3.386 123.342 119.950 0.011 0.000 2.388 763 F HA 0.701 5.228 4.527 -0.001 0.000 0.358 763 F C 0.048 175.848 175.800 0.001 0.000 1.122 763 F CA -0.908 57.094 58.000 0.003 0.000 1.056 763 F CB 1.801 40.805 39.000 0.007 0.000 1.155 763 F HN 0.194 nan 8.300 nan 0.000 0.461 764 V N 1.913 121.900 119.914 0.123 0.000 2.888 764 V HA 0.517 4.636 4.120 -0.000 0.000 0.309 764 V C -0.725 175.390 176.094 0.034 0.000 1.114 764 V CA -0.504 61.836 62.300 0.066 0.000 0.940 764 V CB 2.203 34.043 31.823 0.029 0.000 1.021 764 V HN 0.607 nan 8.190 nan 0.000 0.426 765 S N 4.207 119.915 115.700 0.012 0.000 3.530 765 S HA 0.514 4.984 4.470 -0.000 0.000 0.279 765 S C -0.099 174.457 174.600 -0.074 0.000 1.280 765 S CA 0.522 58.695 58.200 -0.045 0.000 0.946 765 S CB -0.930 62.217 63.200 -0.089 0.000 1.501 765 S HN 1.235 nan 8.310 nan 0.000 0.498 766 T N 2.754 117.273 114.554 -0.057 0.000 2.843 766 T HA 0.372 4.721 4.350 -0.000 0.000 0.302 766 T C 0.182 174.847 174.700 -0.057 0.000 1.232 766 T CA -0.516 61.553 62.100 -0.052 0.000 1.009 766 T CB 1.678 70.531 68.868 -0.025 0.000 1.254 766 T HN 0.465 nan 8.240 nan 0.000 0.504 767 Q N 1.144 120.917 119.800 -0.044 0.000 2.319 767 Q HA 0.282 4.621 4.340 -0.000 0.000 0.202 767 Q C 0.068 176.060 176.000 -0.014 0.000 0.896 767 Q CA -0.015 55.771 55.803 -0.029 0.000 0.942 767 Q CB 0.393 29.127 28.738 -0.007 0.000 1.083 767 Q HN 0.352 nan 8.270 nan 0.000 0.510 768 N N -0.128 118.554 118.700 -0.031 0.000 2.752 768 N HA 0.240 4.980 4.740 -0.000 0.000 0.260 768 N C -0.228 175.236 175.510 -0.078 0.000 1.562 768 N CA 0.021 53.043 53.050 -0.048 0.000 0.788 768 N CB 0.928 39.379 38.487 -0.060 0.000 1.192 768 N HN 0.088 nan 8.380 nan 0.000 0.503 769 A N 2.707 125.488 122.820 -0.064 0.000 1.972 769 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 769 A C 2.166 179.698 177.584 -0.088 0.000 1.169 769 A CA 0.957 52.950 52.037 -0.072 0.000 0.635 769 A CB -0.266 18.696 19.000 -0.063 0.000 0.810 769 A HN 0.629 nan 8.150 nan 0.000 0.446 770 M N -0.673 118.877 119.600 -0.083 0.000 2.084 770 M HA -0.177 4.303 4.480 -0.000 0.000 0.259 770 M C 1.848 178.050 176.300 -0.165 0.000 1.072 770 M CA 1.866 57.110 55.300 -0.093 0.000 1.107 770 M CB -0.272 32.289 32.600 -0.064 0.000 1.299 770 M HN 0.212 nan 8.290 nan 0.000 0.413 771 K N -0.556 119.690 120.400 -0.257 0.000 2.211 771 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 771 K C 1.789 178.077 176.600 -0.521 0.000 1.050 771 K CA 1.566 57.544 56.287 -0.515 0.000 0.945 771 K CB -0.668 31.396 32.500 -0.727 0.000 0.732 771 K HN 0.454 nan 8.250 nan 0.000 0.451 772 T N 1.632 116.017 114.554 -0.282 0.000 2.746 772 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 772 T C 1.909 176.552 174.700 -0.095 0.000 1.039 772 T CA 1.387 63.393 62.100 -0.157 0.000 1.142 772 T CB -0.048 68.765 68.868 -0.091 0.000 0.866 772 T HN 0.370 nan 8.240 nan 0.000 0.444 773 Q N 0.457 120.197 119.800 -0.100 0.000 2.079 773 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 773 Q C 2.457 178.439 176.000 -0.031 0.000 0.974 773 Q CA 1.326 57.092 55.803 -0.062 0.000 0.840 773 Q CB -0.167 28.533 28.738 -0.064 0.000 0.898 773 Q HN 0.370 nan 8.270 nan 0.000 0.430 774 S N -0.023 115.649 115.700 -0.046 0.000 2.355 774 S HA -0.073 4.397 4.470 -0.000 0.000 0.222 774 S C 1.491 176.208 174.600 0.195 0.000 1.031 774 S CA 0.902 59.124 58.200 0.038 0.000 0.993 774 S CB -0.215 62.993 63.200 0.015 0.000 0.859 774 S HN 0.388 nan 8.310 nan 0.000 0.453 775 F N 1.160 121.076 119.950 -0.057 0.000 2.206 775 F HA 0.036 4.563 4.527 -0.001 0.000 0.298 775 F C 2.334 178.087 175.800 -0.078 0.000 1.090 775 F CA -0.128 57.832 58.000 -0.066 0.000 1.323 775 F CB -1.288 37.675 39.000 -0.061 0.000 1.028 775 F HN 0.019 nan 8.300 nan 0.000 0.492 776 V N -0.015 119.968 119.914 0.115 0.000 2.307 776 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 776 V C 2.634 178.718 176.094 -0.016 0.000 1.045 776 V CA 1.719 64.031 62.300 0.020 0.000 1.024 776 V CB -1.295 30.527 31.823 -0.002 0.000 0.651 776 V HN 0.295 nan 8.190 nan 0.000 0.449 777 A N -0.569 122.250 122.820 -0.003 0.000 1.930 777 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 777 A C 2.333 179.896 177.584 -0.035 0.000 1.175 777 A CA 2.016 54.038 52.037 -0.024 0.000 0.627 777 A CB -0.429 18.562 19.000 -0.014 0.000 0.815 777 A HN 0.508 nan 8.150 nan 0.000 0.443 778 K N -0.914 119.478 120.400 -0.014 0.000 2.025 778 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 778 K C 2.152 178.702 176.600 -0.083 0.000 1.049 778 K CA 1.552 57.815 56.287 -0.041 0.000 0.933 778 K CB -0.234 32.246 32.500 -0.033 0.000 0.714 778 K HN 0.450 nan 8.250 nan 0.000 0.438 779 M N 1.178 120.720 119.600 -0.096 0.000 2.159 779 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 779 M C 1.696 177.894 176.300 -0.170 0.000 1.063 779 M CA 1.545 56.763 55.300 -0.137 0.000 1.110 779 M CB -0.395 32.116 32.600 -0.150 0.000 1.374 779 M HN 0.220 nan 8.290 nan 0.000 0.411 780 L N 0.030 121.148 121.223 -0.175 0.000 2.217 780 L HA 0.024 4.364 4.340 -0.000 0.000 0.211 780 L C 1.286 178.028 176.870 -0.213 0.000 1.107 780 L CA 0.769 55.454 54.840 -0.258 0.000 0.783 780 L CB -0.719 41.213 42.059 -0.211 0.000 0.919 780 L HN 0.649 nan 8.230 nan 0.000 0.442 781 G N 0.480 109.202 108.800 -0.130 0.000 2.248 781 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.252 781 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.252 781 G C -0.436 174.425 174.900 -0.064 0.000 1.085 781 G CA 0.053 45.099 45.100 -0.089 0.000 0.845 781 G HN 0.107 nan 8.290 nan 0.000 0.494 782 V N 0.064 119.945 119.914 -0.055 0.000 2.971 782 V HA 0.655 4.775 4.120 -0.000 0.000 0.309 782 V C -2.114 173.963 176.094 -0.028 0.000 1.130 782 V CA -1.653 60.625 62.300 -0.038 0.000 0.964 782 V CB 2.600 34.398 31.823 -0.041 0.000 1.029 782 V HN 0.172 nan 8.190 nan 0.000 0.427 783 P HA 0.120 nan 4.420 nan 0.000 0.269 783 P C 0.876 178.165 177.300 -0.019 0.000 1.209 783 P CA 0.026 63.115 63.100 -0.019 0.000 0.776 783 P CB 0.671 32.361 31.700 -0.016 0.000 0.876 784 V N 1.727 121.630 119.914 -0.018 0.000 2.568 784 V HA -0.258 3.862 4.120 -0.000 0.000 0.253 784 V C 1.956 178.038 176.094 -0.021 0.000 1.072 784 V CA 2.286 64.575 62.300 -0.019 0.000 1.084 784 V CB -1.377 30.436 31.823 -0.018 0.000 0.676 784 V HN 0.698 nan 8.190 nan 0.000 0.469 785 N N 0.585 119.274 118.700 -0.018 0.000 2.573 785 N HA -0.173 4.567 4.740 -0.000 0.000 0.187 785 N C 1.563 177.063 175.510 -0.017 0.000 1.107 785 N CA 0.870 53.910 53.050 -0.017 0.000 0.918 785 N CB -0.404 38.075 38.487 -0.014 0.000 0.966 785 N HN 0.284 nan 8.380 nan 0.000 0.448 786 R N 0.006 120.495 120.500 -0.018 0.000 2.240 786 R HA 0.195 4.535 4.340 -0.000 0.000 0.203 786 R C 0.009 176.294 176.300 -0.025 0.000 1.011 786 R CA 0.133 56.223 56.100 -0.017 0.000 1.007 786 R CB -0.010 30.283 30.300 -0.012 0.000 0.911 786 R HN 0.293 nan 8.270 nan 0.000 0.468 787 I N 1.926 122.478 120.570 -0.031 0.000 2.362 787 I HA 0.217 4.387 4.170 -0.000 0.000 0.289 787 I C -0.353 175.730 176.117 -0.056 0.000 0.994 787 I CA -1.679 59.595 61.300 -0.043 0.000 1.158 787 I CB 1.292 39.268 38.000 -0.040 0.000 1.315 787 I HN -0.166 nan 8.210 nan 0.000 0.451 788 L N 8.558 129.734 121.223 -0.078 0.000 2.287 788 L HA 0.559 4.899 4.340 -0.000 0.000 0.287 788 L C -0.610 176.173 176.870 -0.144 0.000 1.022 788 L CA -0.353 54.427 54.840 -0.099 0.000 0.814 788 L CB 1.561 43.558 42.059 -0.102 0.000 1.217 788 L HN 0.287 nan 8.230 nan 0.000 0.420 789 V N 6.265 126.104 119.914 -0.125 0.000 2.448 789 V HA 0.616 4.735 4.120 -0.000 0.000 0.295 789 V C -0.131 175.886 176.094 -0.128 0.000 1.025 789 V CA -0.648 61.569 62.300 -0.138 0.000 0.859 789 V CB 1.580 33.345 31.823 -0.097 0.000 0.988 789 V HN 0.720 nan 8.190 nan 0.000 0.431 790 R N 3.447 123.853 120.500 -0.158 0.000 2.599 790 R HA 0.833 5.173 4.340 -0.000 0.000 0.295 790 R C -1.613 174.696 176.300 0.015 0.000 0.963 790 R CA -0.761 55.296 56.100 -0.072 0.000 0.883 790 R CB 2.583 32.842 30.300 -0.069 0.000 1.171 790 R HN 0.460 nan 8.270 nan 0.000 0.450 791 V N 3.301 123.224 119.914 0.016 0.000 2.462 791 V HA 0.159 4.278 4.120 -0.000 0.000 0.288 791 V C 0.535 176.637 176.094 0.014 0.000 1.020 791 V CA -0.618 61.692 62.300 0.018 0.000 0.857 791 V CB 1.474 33.284 31.823 -0.021 0.000 1.013 791 V HN 0.809 nan 8.190 nan 0.000 0.431 792 K N 4.179 124.594 120.400 0.024 0.000 2.044 792 K HA 0.212 4.532 4.320 -0.000 0.000 0.204 792 K C 0.754 177.343 176.600 -0.019 0.000 1.045 792 K CA 0.916 57.202 56.287 -0.002 0.000 0.951 792 K CB 0.393 32.878 32.500 -0.025 0.000 0.738 792 K HN 0.780 nan 8.250 nan 0.000 0.443 793 R N -1.132 119.334 120.500 -0.056 0.000 2.712 793 R HA 0.370 4.709 4.340 -0.000 0.000 0.272 793 R C -1.539 174.749 176.300 -0.020 0.000 1.032 793 R CA -0.883 55.175 56.100 -0.070 0.000 0.874 793 R CB 0.845 31.058 30.300 -0.145 0.000 1.256 793 R HN -0.078 nan 8.270 nan 0.000 0.468 794 M N 0.738 120.342 119.600 0.007 0.000 2.393 794 M HA 0.389 4.869 4.480 -0.000 0.000 0.316 794 M C 0.261 176.630 176.300 0.115 0.000 1.087 794 M CA -0.657 54.658 55.300 0.026 0.000 0.937 794 M CB 2.534 35.075 32.600 -0.098 0.000 1.668 794 M HN 0.957 nan 8.290 nan 0.000 0.438 795 G N 2.085 110.975 108.800 0.151 0.000 3.197 795 G HA2 0.484 4.443 3.960 -0.000 0.000 0.257 795 G HA3 0.484 4.443 3.960 -0.000 0.000 0.257 795 G C 0.337 175.229 174.900 -0.012 0.000 0.835 795 G CA 0.361 45.486 45.100 0.041 0.000 2.001 795 G HN 1.087 nan 8.290 nan 0.000 0.625 796 G N -1.317 107.424 108.800 -0.100 0.000 2.712 796 G HA2 0.376 4.336 3.960 -0.000 0.000 0.686 796 G HA3 0.376 4.336 3.960 -0.000 0.000 0.686 796 G C 0.485 175.180 174.900 -0.341 0.000 1.181 796 G CA -0.322 44.597 45.100 -0.300 0.000 0.762 796 G HN 1.202 nan 8.290 nan 0.000 0.641 797 G N -0.604 107.811 108.800 -0.642 0.000 2.675 797 G HA2 0.547 4.506 3.960 -0.000 0.000 0.202 797 G HA3 0.547 4.506 3.960 -0.000 0.000 0.202 797 G C 0.914 175.764 174.900 -0.083 0.000 1.252 797 G CA 0.850 45.781 45.100 -0.282 0.000 0.627 797 G HN 1.728 nan 8.290 nan 0.000 0.921 798 F N 0.874 120.863 119.950 0.066 0.000 3.079 798 F HA -0.210 4.317 4.527 -0.000 0.000 0.285 798 F C 1.977 177.809 175.800 0.053 0.000 0.819 798 F CA 1.002 59.022 58.000 0.033 0.000 1.067 798 F CB -1.454 37.502 39.000 -0.073 0.000 1.263 798 F HN 1.197 nan 8.300 nan 0.000 0.458 799 G N -1.117 107.782 108.800 0.165 0.000 2.254 799 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.225 799 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.225 799 G C 1.046 175.998 174.900 0.087 0.000 1.003 799 G CA -0.003 45.224 45.100 0.212 0.000 0.622 799 G HN 1.176 nan 8.290 nan 0.000 0.507 800 G N 0.038 108.683 108.800 -0.259 0.000 2.744 800 G HA2 0.259 4.219 3.960 -0.000 0.000 0.211 800 G HA3 0.259 4.219 3.960 -0.000 0.000 0.211 800 G C 1.115 176.010 174.900 -0.008 0.000 1.143 800 G CA 1.185 45.981 45.100 -0.506 0.000 0.788 800 G HN 0.497 nan 8.290 nan 0.000 0.534 801 K N -0.024 120.363 120.400 -0.021 0.000 2.455 801 K HA 0.183 4.503 4.320 -0.000 0.000 0.206 801 K C 1.384 178.003 176.600 0.032 0.000 1.027 801 K CA -0.123 56.164 56.287 -0.000 0.000 1.113 801 K CB 0.691 33.085 32.500 -0.176 0.000 0.850 801 K HN 0.339 nan 8.250 nan 0.000 0.503 802 E N 0.783 121.028 120.200 0.075 0.000 2.158 802 E HA -0.116 4.233 4.350 -0.000 0.000 0.191 802 E C 1.256 177.902 176.600 0.078 0.000 0.982 802 E CA 1.682 58.138 56.400 0.094 0.000 0.823 802 E CB 0.462 30.261 29.700 0.164 0.000 0.766 802 E HN 0.287 nan 8.360 nan 0.000 0.468 803 T N -3.134 111.481 114.554 0.100 0.000 3.236 803 T HA 0.181 4.530 4.350 -0.000 0.000 0.265 803 T C 1.576 176.335 174.700 0.098 0.000 0.912 803 T CA -0.568 61.584 62.100 0.087 0.000 0.946 803 T CB -0.185 68.769 68.868 0.144 0.000 1.241 803 T HN -0.101 nan 8.240 nan 0.000 0.513 804 R N 2.735 123.297 120.500 0.104 0.000 2.285 804 R HA 0.151 4.490 4.340 -0.000 0.000 0.213 804 R C 2.609 178.856 176.300 -0.090 0.000 1.068 804 R CA 1.239 57.365 56.100 0.043 0.000 1.004 804 R CB -1.165 29.169 30.300 0.057 0.000 0.873 804 R HN 0.753 nan 8.270 nan 0.000 0.467 805 S N 0.129 115.832 115.700 0.004 0.000 2.447 805 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 805 S C 1.915 176.518 174.600 0.005 0.000 1.006 805 S CA 1.396 59.609 58.200 0.022 0.000 0.957 805 S CB -0.591 62.729 63.200 0.200 0.000 0.773 805 S HN 0.455 nan 8.310 nan 0.000 0.507 806 T N 1.009 115.583 114.554 0.033 0.000 2.929 806 T HA 0.078 4.428 4.350 -0.000 0.000 0.271 806 T C 1.711 176.441 174.700 0.050 0.000 1.085 806 T CA 0.912 63.058 62.100 0.077 0.000 1.125 806 T CB -0.849 68.151 68.868 0.221 0.000 0.874 806 T HN 0.430 nan 8.240 nan 0.000 0.494 807 L N 0.383 121.610 121.223 0.006 0.000 2.042 807 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 807 L C 2.913 179.772 176.870 -0.017 0.000 1.076 807 L CA 1.033 55.864 54.840 -0.015 0.000 0.749 807 L CB -0.674 41.370 42.059 -0.025 0.000 0.893 807 L HN 0.206 nan 8.230 nan 0.000 0.432 808 V N -1.416 118.484 119.914 -0.025 0.000 2.407 808 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 808 V C 2.567 178.675 176.094 0.023 0.000 1.041 808 V CA 1.557 63.866 62.300 0.015 0.000 1.040 808 V CB 0.173 32.015 31.823 0.032 0.000 0.671 808 V HN 0.312 nan 8.190 nan 0.000 0.455 809 S N 0.042 115.755 115.700 0.021 0.000 2.365 809 S HA -0.192 4.277 4.470 -0.000 0.000 0.225 809 S C 1.973 176.577 174.600 0.007 0.000 1.039 809 S CA 1.776 59.989 58.200 0.022 0.000 1.033 809 S CB -0.190 63.023 63.200 0.021 0.000 0.887 809 S HN 0.374 nan 8.310 nan 0.000 0.447 810 V N 1.629 121.536 119.914 -0.011 0.000 2.379 810 V HA -0.105 4.014 4.120 -0.000 0.000 0.245 810 V C 2.585 178.623 176.094 -0.094 0.000 1.044 810 V CA 1.434 63.702 62.300 -0.053 0.000 1.036 810 V CB -1.219 30.558 31.823 -0.078 0.000 0.664 810 V HN 0.520 nan 8.190 nan 0.000 0.453 811 A N 0.224 122.982 122.820 -0.104 0.000 1.892 811 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 811 A C 2.382 179.996 177.584 0.049 0.000 1.188 811 A CA 2.498 54.510 52.037 -0.041 0.000 0.631 811 A CB -0.850 18.183 19.000 0.055 0.000 0.822 811 A HN 0.351 nan 8.150 nan 0.000 0.447 812 V N -0.318 119.622 119.914 0.042 0.000 2.427 812 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 812 V C 3.022 179.142 176.094 0.043 0.000 1.051 812 V CA 1.841 64.170 62.300 0.049 0.000 1.048 812 V CB -1.315 30.535 31.823 0.046 0.000 0.666 812 V HN 0.644 nan 8.190 nan 0.000 0.456 813 A N 0.128 122.964 122.820 0.026 0.000 1.902 813 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 813 A C 2.180 179.801 177.584 0.061 0.000 1.181 813 A CA 2.164 54.219 52.037 0.029 0.000 0.623 813 A CB -0.565 18.435 19.000 0.000 0.000 0.818 813 A HN 0.480 nan 8.150 nan 0.000 0.443 814 L N -0.327 120.924 121.223 0.046 0.000 2.056 814 L HA -0.007 4.332 4.340 -0.000 0.000 0.207 814 L C 2.600 179.565 176.870 0.158 0.000 1.078 814 L CA 2.169 57.065 54.840 0.094 0.000 0.749 814 L CB -0.708 41.383 42.059 0.052 0.000 0.901 814 L HN 0.318 nan 8.230 nan 0.000 0.433 815 A N -0.286 122.598 122.820 0.107 0.000 1.940 815 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 815 A C 2.449 180.073 177.584 0.067 0.000 1.176 815 A CA 1.854 53.935 52.037 0.074 0.000 0.631 815 A CB -1.159 17.869 19.000 0.046 0.000 0.814 815 A HN 0.603 nan 8.150 nan 0.000 0.446 816 A N -1.484 121.383 122.820 0.078 0.000 1.930 816 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 816 A C 2.115 179.751 177.584 0.086 0.000 1.175 816 A CA 1.548 53.627 52.037 0.070 0.000 0.627 816 A CB -0.793 18.243 19.000 0.059 0.000 0.815 816 A HN 0.779 nan 8.150 nan 0.000 0.443 817 Y N 0.611 120.913 120.300 0.003 0.000 2.097 817 Y HA -0.207 4.343 4.550 -0.000 0.000 0.282 817 Y C 2.337 178.241 175.900 0.007 0.000 1.152 817 Y CA 2.452 60.552 58.100 0.000 0.000 1.136 817 Y CB -0.131 38.327 38.460 -0.003 0.000 0.975 817 Y HN 0.187 nan 8.280 nan 0.000 0.498 818 K N -0.209 120.184 120.400 -0.011 0.000 2.062 818 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 818 K C 2.010 178.532 176.600 -0.130 0.000 1.051 818 K CA 1.910 58.117 56.287 -0.133 0.000 0.941 818 K CB -0.504 32.038 32.500 0.071 0.000 0.719 818 K HN 0.592 nan 8.250 nan 0.000 0.440 819 T N -3.604 110.922 114.554 -0.047 0.000 3.054 819 T HA 0.131 4.481 4.350 -0.000 0.000 0.259 819 T C 1.407 176.160 174.700 0.088 0.000 1.092 819 T CA 1.033 63.131 62.100 -0.004 0.000 1.121 819 T CB 0.096 68.943 68.868 -0.036 0.000 0.912 819 T HN 0.354 nan 8.240 nan 0.000 0.489 820 G N 0.908 109.717 108.800 0.016 0.000 2.184 820 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.264 820 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.264 820 G C -0.104 174.785 174.900 -0.019 0.000 0.975 820 G CA 0.396 45.486 45.100 -0.017 0.000 0.642 820 G HN 0.770 nan 8.290 nan 0.000 0.536 821 H N 0.795 119.823 119.070 -0.070 0.000 2.525 821 H HA 0.562 5.118 4.556 -0.000 0.000 0.340 821 H C -2.267 173.026 175.328 -0.059 0.000 1.168 821 H CA -1.877 54.130 56.048 -0.068 0.000 1.247 821 H CB 1.076 30.807 29.762 -0.051 0.000 1.568 821 H HN 0.053 nan 8.280 nan 0.000 0.536 822 P HA 0.037 nan 4.420 nan 0.000 0.266 822 P C -0.881 176.436 177.300 0.028 0.000 1.195 822 P CA 0.184 63.316 63.100 0.054 0.000 0.768 822 P CB 0.612 32.381 31.700 0.114 0.000 0.838 823 V N 3.807 123.721 119.914 -0.000 0.000 2.841 823 V HA 0.622 4.741 4.120 -0.000 0.000 0.310 823 V C 0.090 176.134 176.094 -0.084 0.000 1.090 823 V CA -0.645 61.611 62.300 -0.075 0.000 0.930 823 V CB 2.243 34.051 31.823 -0.026 0.000 1.014 823 V HN 0.610 nan 8.190 nan 0.000 0.425 824 R N 1.960 122.346 120.500 -0.190 0.000 2.855 824 R HA 0.950 5.290 4.340 -0.000 0.000 0.266 824 R C -1.379 174.935 176.300 0.023 0.000 1.034 824 R CA -0.683 55.368 56.100 -0.081 0.000 0.944 824 R CB 1.913 32.157 30.300 -0.093 0.000 1.219 824 R HN 0.739 nan 8.270 nan 0.000 0.474 825 C N 2.254 121.608 119.300 0.090 0.000 2.871 825 C HA 0.547 5.006 4.460 -0.000 0.000 0.378 825 C C -1.119 173.945 174.990 0.124 0.000 1.052 825 C CA -0.580 58.521 59.018 0.138 0.000 1.250 825 C CB 1.233 29.045 27.740 0.119 0.000 1.689 825 C HN 0.994 nan 8.230 nan 0.000 0.506 826 M N 6.643 126.323 119.600 0.133 0.000 2.294 826 M HA 0.595 5.075 4.480 -0.000 0.000 0.335 826 M C -1.094 175.264 176.300 0.097 0.000 1.079 826 M CA -0.596 54.764 55.300 0.100 0.000 0.982 826 M CB 1.207 33.857 32.600 0.083 0.000 1.651 826 M HN 0.730 nan 8.290 nan 0.000 0.437 827 L N 3.260 124.541 121.223 0.096 0.000 2.439 827 L HA 0.217 4.557 4.340 -0.000 0.000 0.269 827 L C 0.141 177.053 176.870 0.071 0.000 1.179 827 L CA -0.363 54.535 54.840 0.097 0.000 0.828 827 L CB 0.341 42.476 42.059 0.126 0.000 1.106 827 L HN 0.656 nan 8.230 nan 0.000 0.467 828 D N 0.648 121.088 120.400 0.066 0.000 2.329 828 D HA 0.084 4.723 4.640 -0.000 0.000 0.246 828 D C 0.892 177.215 176.300 0.039 0.000 1.111 828 D CA -0.289 53.738 54.000 0.045 0.000 0.941 828 D CB 1.335 42.162 40.800 0.045 0.000 1.169 828 D HN 0.341 nan 8.370 nan 0.000 0.441 829 R N 1.671 122.176 120.500 0.010 0.000 2.094 829 R HA -0.216 4.124 4.340 -0.000 0.000 0.239 829 R C 1.822 178.129 176.300 0.011 0.000 1.137 829 R CA 1.940 58.022 56.100 -0.029 0.000 0.943 829 R CB -0.263 29.999 30.300 -0.063 0.000 0.850 829 R HN 0.547 nan 8.270 nan 0.000 0.433 830 N N 0.577 119.299 118.700 0.036 0.000 2.137 830 N HA -0.237 4.503 4.740 -0.000 0.000 0.190 830 N C 1.197 176.741 175.510 0.058 0.000 1.017 830 N CA 2.101 55.181 53.050 0.049 0.000 0.859 830 N CB -0.367 38.152 38.487 0.054 0.000 1.002 830 N HN 0.505 nan 8.380 nan 0.000 0.428 831 E N 0.060 120.300 120.200 0.067 0.000 2.072 831 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 831 E C 1.472 178.130 176.600 0.097 0.000 0.985 831 E CA 0.874 57.324 56.400 0.084 0.000 0.801 831 E CB -0.112 29.643 29.700 0.091 0.000 0.750 831 E HN 0.420 nan 8.360 nan 0.000 0.452 832 D N 0.687 121.152 120.400 0.108 0.000 2.097 832 D HA -0.160 4.480 4.640 -0.000 0.000 0.195 832 D C 1.970 178.355 176.300 0.141 0.000 0.989 832 D CA 1.148 55.248 54.000 0.166 0.000 0.827 832 D CB 0.053 40.976 40.800 0.205 0.000 0.966 832 D HN 0.149 nan 8.370 nan 0.000 0.456 833 M N -0.157 119.486 119.600 0.072 0.000 2.279 833 M HA -0.154 4.325 4.480 -0.000 0.000 0.264 833 M C 2.168 178.505 176.300 0.062 0.000 1.062 833 M CA 0.626 55.949 55.300 0.039 0.000 1.099 833 M CB 0.008 32.595 32.600 -0.022 0.000 1.394 833 M HN 0.054 nan 8.290 nan 0.000 0.426 834 L N -0.111 121.157 121.223 0.074 0.000 2.209 834 L HA 0.051 4.391 4.340 -0.000 0.000 0.207 834 L C 1.779 178.710 176.870 0.101 0.000 1.094 834 L CA 1.582 56.474 54.840 0.085 0.000 0.790 834 L CB -0.017 42.090 42.059 0.080 0.000 0.932 834 L HN 0.185 nan 8.230 nan 0.000 0.447 835 I N -1.610 119.022 120.570 0.103 0.000 3.039 835 I HA -0.056 4.114 4.170 -0.000 0.000 0.270 835 I C 1.819 177.990 176.117 0.089 0.000 1.150 835 I CA 1.083 62.441 61.300 0.097 0.000 1.448 835 I CB -0.185 37.868 38.000 0.088 0.000 1.197 835 I HN 0.276 nan 8.210 nan 0.000 0.450 836 T N -1.286 113.329 114.554 0.101 0.000 3.107 836 T HA 0.427 4.777 4.350 -0.000 0.000 0.249 836 T C 0.925 175.724 174.700 0.165 0.000 1.096 836 T CA 0.261 62.412 62.100 0.086 0.000 1.012 836 T CB -0.060 68.856 68.868 0.079 0.000 0.977 836 T HN 0.497 nan 8.240 nan 0.000 0.527 837 G N -0.787 108.119 108.800 0.177 0.000 2.712 837 G HA2 0.377 4.336 3.960 -0.000 0.000 0.686 837 G HA3 0.377 4.336 3.960 -0.000 0.000 0.686 837 G C -0.158 174.925 174.900 0.305 0.000 1.321 837 G CA -0.596 44.623 45.100 0.198 0.000 0.813 837 G HN 0.988 nan 8.290 nan 0.000 0.599 838 G N -0.369 108.572 108.800 0.234 0.000 3.243 838 G HA2 0.850 4.809 3.960 -0.000 0.000 0.248 838 G HA3 0.850 4.809 3.960 -0.000 0.000 0.248 838 G C 0.075 175.101 174.900 0.211 0.000 1.267 838 G CA 0.030 45.255 45.100 0.208 0.000 0.906 838 G HN 1.055 nan 8.290 nan 0.000 0.592 839 R N -0.156 120.448 120.500 0.173 0.000 2.582 839 R HA 0.199 4.539 4.340 -0.000 0.000 0.271 839 R C -0.496 175.876 176.300 0.121 0.000 1.078 839 R CA -0.450 55.750 56.100 0.166 0.000 1.127 839 R CB 0.146 30.389 30.300 -0.095 0.000 1.038 839 R HN 0.623 nan 8.270 nan 0.000 0.500 840 H N 3.983 123.125 119.070 0.121 0.000 2.975 840 H HA 0.088 4.644 4.556 -0.000 0.000 0.303 840 H C -1.913 173.543 175.328 0.213 0.000 1.023 840 H CA -1.366 54.785 56.048 0.172 0.000 1.473 840 H CB 0.691 30.589 29.762 0.227 0.000 1.498 840 H HN 0.430 nan 8.280 nan 0.000 0.549 841 P HA 0.015 nan 4.420 nan 0.000 0.269 841 P C -0.699 176.770 177.300 0.281 0.000 1.209 841 P CA 0.560 63.747 63.100 0.144 0.000 0.776 841 P CB 0.421 32.202 31.700 0.135 0.000 0.876 842 F N 1.634 121.518 119.950 -0.110 0.000 2.556 842 F HA 0.437 4.963 4.527 -0.000 0.000 0.314 842 F C -0.298 175.556 175.800 0.091 0.000 1.106 842 F CA -1.086 56.947 58.000 0.054 0.000 0.911 842 F CB 1.643 40.691 39.000 0.081 0.000 1.190 842 F HN 0.083 nan 8.300 nan 0.000 0.448 843 L N 3.788 125.236 121.223 0.374 0.000 2.317 843 L HA 0.864 5.203 4.340 -0.000 0.000 0.281 843 L C -0.829 176.308 176.870 0.445 0.000 1.024 843 L CA -0.306 54.804 54.840 0.451 0.000 0.810 843 L CB 1.305 43.615 42.059 0.419 0.000 1.240 843 L HN 0.614 nan 8.230 nan 0.000 0.427 844 A N 5.399 128.464 122.820 0.409 0.000 2.371 844 A HA 0.826 5.146 4.320 -0.000 0.000 0.311 844 A C -0.708 177.089 177.584 0.354 0.000 1.068 844 A CA -0.714 51.526 52.037 0.338 0.000 0.744 844 A CB 0.984 20.163 19.000 0.298 0.000 1.239 844 A HN 0.727 nan 8.150 nan 0.000 0.435 845 R N 1.357 122.025 120.500 0.279 0.000 2.360 845 R HA 0.544 4.883 4.340 -0.000 0.000 0.318 845 R C -1.455 174.960 176.300 0.192 0.000 0.950 845 R CA -0.330 55.898 56.100 0.213 0.000 0.837 845 R CB 1.368 31.765 30.300 0.163 0.000 1.165 845 R HN 0.811 nan 8.270 nan 0.000 0.458 846 Y N -0.497 119.839 120.300 0.059 0.000 2.570 846 Y HA 0.674 5.223 4.550 -0.000 0.000 0.345 846 Y C -0.902 175.006 175.900 0.014 0.000 1.014 846 Y CA -1.323 56.795 58.100 0.029 0.000 1.063 846 Y CB 1.903 40.411 38.460 0.080 0.000 1.272 846 Y HN 0.276 nan 8.280 nan 0.000 0.477 847 K N 2.567 123.022 120.400 0.093 0.000 2.619 847 K HA 0.585 4.904 4.320 -0.000 0.000 0.251 847 K C -2.283 174.409 176.600 0.154 0.000 0.987 847 K CA -0.672 55.648 56.287 0.055 0.000 0.844 847 K CB 1.967 34.432 32.500 -0.058 0.000 1.237 847 K HN 0.765 nan 8.250 nan 0.000 0.447 848 V N 0.981 120.989 119.914 0.158 0.000 2.513 848 V HA 0.792 4.912 4.120 -0.000 0.000 0.299 848 V C 0.366 176.630 176.094 0.283 0.000 1.035 848 V CA -0.914 61.426 62.300 0.067 0.000 0.889 848 V CB 1.617 33.370 31.823 -0.116 0.000 0.988 848 V HN 0.796 nan 8.190 nan 0.000 0.440 849 G N 3.157 112.022 108.800 0.109 0.000 2.470 849 G HA2 0.823 4.782 3.960 -0.000 0.000 0.320 849 G HA3 0.823 4.782 3.960 -0.000 0.000 0.320 849 G C -1.189 173.721 174.900 0.017 0.000 1.245 849 G CA -0.547 44.554 45.100 0.003 0.000 0.935 849 G HN 0.934 nan 8.290 nan 0.000 0.476 850 F N 0.342 120.246 119.950 -0.077 0.000 2.685 850 F HA 0.771 5.298 4.527 -0.000 0.000 0.315 850 F C -0.468 175.305 175.800 -0.045 0.000 1.126 850 F CA -1.848 56.107 58.000 -0.074 0.000 0.950 850 F CB 1.299 40.271 39.000 -0.047 0.000 1.360 850 F HN 0.252 nan 8.300 nan 0.000 0.469 851 M N 1.291 120.985 119.600 0.157 0.000 2.371 851 M HA 0.349 4.829 4.480 -0.000 0.000 0.301 851 M C 1.101 177.511 176.300 0.183 0.000 1.173 851 M CA -0.733 54.613 55.300 0.076 0.000 1.020 851 M CB 1.231 33.857 32.600 0.044 0.000 1.490 851 M HN 0.899 nan 8.290 nan 0.000 0.485 852 K N 0.975 121.432 120.400 0.095 0.000 2.152 852 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 852 K C 1.677 178.342 176.600 0.107 0.000 1.048 852 K CA 2.167 58.518 56.287 0.106 0.000 0.933 852 K CB -0.439 32.092 32.500 0.053 0.000 0.721 852 K HN 0.888 nan 8.250 nan 0.000 0.447 853 T N -3.881 110.723 114.554 0.082 0.000 2.962 853 T HA 0.067 4.417 4.350 -0.000 0.000 0.270 853 T C 1.542 176.278 174.700 0.061 0.000 1.088 853 T CA 0.948 63.085 62.100 0.061 0.000 1.127 853 T CB -0.221 68.670 68.868 0.038 0.000 0.883 853 T HN 0.350 nan 8.240 nan 0.000 0.493 854 G N 0.538 109.396 108.800 0.095 0.000 2.195 854 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.224 854 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.224 854 G C 0.231 175.136 174.900 0.009 0.000 0.990 854 G CA -0.046 45.075 45.100 0.035 0.000 0.639 854 G HN 0.677 nan 8.290 nan 0.000 0.514 855 T N 3.282 117.855 114.554 0.031 0.000 2.871 855 T HA 0.403 4.752 4.350 -0.000 0.000 0.296 855 T C 1.135 175.852 174.700 0.028 0.000 0.998 855 T CA 0.196 62.294 62.100 -0.004 0.000 1.162 855 T CB 0.706 69.566 68.868 -0.013 0.000 0.947 855 T HN 0.274 nan 8.240 nan 0.000 0.536 856 I N 3.505 124.061 120.570 -0.024 0.000 2.720 856 I HA 0.180 4.350 4.170 -0.000 0.000 0.287 856 I C 1.131 177.201 176.117 -0.078 0.000 1.090 856 I CA -0.067 61.215 61.300 -0.031 0.000 1.384 856 I CB 1.122 39.078 38.000 -0.074 0.000 1.420 856 I HN 0.435 nan 8.210 nan 0.000 0.575 857 V N 3.031 122.870 119.914 -0.124 0.000 3.309 857 V HA 0.416 4.536 4.120 -0.000 0.000 0.268 857 V C 0.015 175.932 176.094 -0.294 0.000 1.631 857 V CA 0.520 62.716 62.300 -0.173 0.000 1.018 857 V CB 1.314 33.053 31.823 -0.140 0.000 0.841 857 V HN 0.918 nan 8.190 nan 0.000 0.418 858 A N 0.586 123.162 122.820 -0.407 0.000 2.577 858 A HA 0.798 5.118 4.320 -0.000 0.000 0.297 858 A C -2.179 175.092 177.584 -0.522 0.000 1.060 858 A CA -0.280 51.387 52.037 -0.616 0.000 0.697 858 A CB 2.019 20.252 19.000 -1.277 0.000 1.281 858 A HN 0.374 nan 8.150 nan 0.000 0.402 859 L N 0.443 121.475 121.223 -0.319 0.000 2.472 859 L HA 0.859 5.199 4.340 -0.000 0.000 0.260 859 L C -0.896 175.969 176.870 -0.008 0.000 0.963 859 L CA 0.067 54.785 54.840 -0.203 0.000 0.829 859 L CB 2.142 43.963 42.059 -0.397 0.000 1.348 859 L HN 0.818 nan 8.230 nan 0.000 0.408 860 E N 3.018 123.251 120.200 0.055 0.000 2.274 860 E HA 0.701 5.050 4.350 -0.000 0.000 0.269 860 E C -1.952 174.677 176.600 0.049 0.000 0.891 860 E CA -0.556 55.896 56.400 0.087 0.000 0.784 860 E CB 2.183 31.967 29.700 0.141 0.000 1.225 860 E HN 0.473 nan 8.360 nan 0.000 0.412 861 V N 3.386 123.315 119.914 0.026 0.000 2.623 861 V HA 0.351 4.470 4.120 -0.000 0.000 0.304 861 V C -1.057 174.960 176.094 -0.128 0.000 1.054 861 V CA -1.037 61.233 62.300 -0.050 0.000 0.882 861 V CB 1.990 33.748 31.823 -0.108 0.000 1.002 861 V HN 0.629 nan 8.190 nan 0.000 0.424 862 D N 2.545 122.865 120.400 -0.133 0.000 2.349 862 D HA 0.467 5.107 4.640 -0.000 0.000 0.232 862 D C -0.493 175.623 176.300 -0.306 0.000 1.071 862 D CA -0.228 53.655 54.000 -0.194 0.000 0.832 862 D CB 1.122 41.870 40.800 -0.086 0.000 1.086 862 D HN 0.617 nan 8.370 nan 0.000 0.504 863 H N 1.199 120.117 119.070 -0.253 0.000 2.458 863 H HA 0.394 4.950 4.556 -0.000 0.000 0.330 863 H C -0.693 174.280 175.328 -0.591 0.000 1.111 863 H CA -0.351 55.595 56.048 -0.170 0.000 1.245 863 H CB 0.796 30.580 29.762 0.037 0.000 1.456 863 H HN 0.301 nan 8.280 nan 0.000 0.488 864 Y N 0.666 120.965 120.300 -0.002 0.000 2.361 864 Y HA 0.357 4.907 4.550 -0.000 0.000 0.337 864 Y C -0.041 175.660 175.900 -0.331 0.000 0.965 864 Y CA -0.939 57.099 58.100 -0.104 0.000 1.091 864 Y CB 1.789 40.267 38.460 0.030 0.000 1.182 864 Y HN 0.655 nan 8.280 nan 0.000 0.450 865 S N 1.722 117.239 115.700 -0.304 0.000 2.593 865 S HA 0.427 4.897 4.470 -0.000 0.000 0.297 865 S C -0.713 173.898 174.600 0.018 0.000 1.112 865 S CA -0.959 57.014 58.200 -0.379 0.000 1.043 865 S CB 1.587 64.452 63.200 -0.558 0.000 1.054 865 S HN 0.629 nan 8.310 nan 0.000 0.516 866 N N 1.063 119.816 118.700 0.089 0.000 2.469 866 N HA 0.428 5.168 4.740 -0.000 0.000 0.239 866 N C 0.561 176.121 175.510 0.083 0.000 1.053 866 N CA -0.239 52.868 53.050 0.094 0.000 0.937 866 N CB 1.226 39.757 38.487 0.074 0.000 1.163 866 N HN 0.776 nan 8.380 nan 0.000 0.509 867 A N 2.461 125.371 122.820 0.150 0.000 2.044 867 A HA 0.439 4.759 4.320 -0.000 0.000 0.213 867 A C 1.142 178.792 177.584 0.109 0.000 1.169 867 A CA 0.976 53.137 52.037 0.206 0.000 0.724 867 A CB -0.570 18.677 19.000 0.411 0.000 0.840 867 A HN 0.879 nan 8.150 nan 0.000 0.463 868 G N 0.520 109.376 108.800 0.094 0.000 2.568 868 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.222 868 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.222 868 G C 0.052 175.027 174.900 0.125 0.000 1.321 868 G CA 0.180 45.306 45.100 0.044 0.000 0.893 868 G HN 1.058 nan 8.290 nan 0.000 0.569 869 N N 0.347 119.077 118.700 0.050 0.000 2.313 869 N HA 0.354 5.094 4.740 -0.000 0.000 0.207 869 N C 0.478 176.042 175.510 0.090 0.000 1.141 869 N CA 1.114 54.193 53.050 0.049 0.000 0.830 869 N CB 0.023 38.441 38.487 -0.115 0.000 1.008 869 N HN 1.770 nan 8.380 nan 0.000 0.481 870 S N -1.667 114.082 115.700 0.082 0.000 2.615 870 S HA 0.484 4.954 4.470 -0.000 0.000 0.269 870 S C 0.366 174.775 174.600 -0.319 0.000 1.161 870 S CA -0.921 57.230 58.200 -0.081 0.000 0.817 870 S CB 1.867 65.058 63.200 -0.015 0.000 1.131 870 S HN -0.008 nan 8.310 nan 0.000 0.467 871 R N 0.611 120.838 120.500 -0.456 0.000 2.057 871 R HA 0.121 4.460 4.340 -0.000 0.000 0.229 871 R C 0.893 177.175 176.300 -0.030 0.000 1.136 871 R CA 1.481 57.306 56.100 -0.457 0.000 0.952 871 R CB -0.784 29.235 30.300 -0.468 0.000 0.848 871 R HN 0.898 nan 8.270 nan 0.000 0.430 872 D N -0.935 119.569 120.400 0.172 0.000 3.584 872 D HA -0.298 4.342 4.640 -0.000 0.000 0.153 872 D C 0.263 176.781 176.300 0.363 0.000 0.949 872 D CA 2.151 56.320 54.000 0.281 0.000 1.011 872 D CB -0.748 40.181 40.800 0.215 0.000 0.476 872 D HN 0.098 nan 8.370 nan 0.000 0.460 873 L N 0.204 121.609 121.223 0.303 0.000 2.611 873 L HA 0.210 4.550 4.340 -0.000 0.000 0.229 873 L C 1.985 178.940 176.870 0.142 0.000 1.137 873 L CA 0.202 55.228 54.840 0.311 0.000 0.901 873 L CB -0.009 42.272 42.059 0.369 0.000 1.098 873 L HN 0.155 nan 8.230 nan 0.000 0.456 874 S N -0.867 114.892 115.700 0.098 0.000 2.399 874 S HA -0.239 4.231 4.470 -0.000 0.000 0.231 874 S C 1.825 176.378 174.600 -0.079 0.000 1.022 874 S CA 1.297 59.465 58.200 -0.052 0.000 0.983 874 S CB -0.235 63.042 63.200 0.128 0.000 0.803 874 S HN 0.587 nan 8.310 nan 0.000 0.480 875 H N 1.182 120.202 119.070 -0.083 0.000 2.326 875 H HA 0.048 4.604 4.556 -0.000 0.000 0.301 875 H C 2.228 177.541 175.328 -0.026 0.000 1.081 875 H CA 1.775 57.769 56.048 -0.091 0.000 1.334 875 H CB -0.193 29.485 29.762 -0.141 0.000 1.385 875 H HN 0.218 nan 8.280 nan 0.000 0.504 876 S N -0.204 115.631 115.700 0.225 0.000 2.382 876 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 876 S C 2.168 176.901 174.600 0.222 0.000 1.027 876 S CA 1.285 59.682 58.200 0.329 0.000 0.991 876 S CB -0.164 63.381 63.200 0.576 0.000 0.823 876 S HN 0.377 nan 8.310 nan 0.000 0.469 877 I N 0.658 121.136 120.570 -0.152 0.000 2.202 877 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 877 I C 2.464 178.485 176.117 -0.159 0.000 1.091 877 I CA 1.032 62.063 61.300 -0.449 0.000 1.368 877 I CB -0.278 37.253 38.000 -0.781 0.000 1.058 877 I HN 0.296 nan 8.210 nan 0.000 0.410 878 M N 1.091 120.584 119.600 -0.179 0.000 2.108 878 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 878 M C 2.047 178.234 176.300 -0.189 0.000 1.066 878 M CA 1.865 57.068 55.300 -0.163 0.000 1.107 878 M CB -0.551 31.887 32.600 -0.271 0.000 1.356 878 M HN 0.137 nan 8.290 nan 0.000 0.406 879 E N -0.854 119.221 120.200 -0.209 0.000 2.038 879 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 879 E C 2.221 178.743 176.600 -0.131 0.000 1.000 879 E CA 1.622 57.895 56.400 -0.211 0.000 0.803 879 E CB -0.416 29.261 29.700 -0.038 0.000 0.750 879 E HN 0.542 nan 8.360 nan 0.000 0.448 880 R N 0.777 121.387 120.500 0.183 0.000 2.096 880 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 880 R C 2.242 178.706 176.300 0.272 0.000 1.127 880 R CA 1.232 57.564 56.100 0.387 0.000 0.968 880 R CB -0.178 30.353 30.300 0.386 0.000 0.861 880 R HN 0.146 nan 8.270 nan 0.000 0.440 881 A N 1.320 124.178 122.820 0.065 0.000 1.865 881 A HA -0.160 4.159 4.320 -0.000 0.000 0.217 881 A C 2.200 179.767 177.584 -0.027 0.000 1.191 881 A CA 1.451 53.469 52.037 -0.031 0.000 0.623 881 A CB -0.714 18.230 19.000 -0.093 0.000 0.826 881 A HN 0.361 nan 8.150 nan 0.000 0.444 882 L N -1.808 119.343 121.223 -0.120 0.000 2.079 882 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 882 L C 2.427 179.393 176.870 0.160 0.000 1.081 882 L CA 1.366 56.174 54.840 -0.053 0.000 0.752 882 L CB -0.601 41.392 42.059 -0.109 0.000 0.896 882 L HN 0.448 nan 8.230 nan 0.000 0.433 883 F N -1.309 118.688 119.950 0.078 0.000 2.546 883 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 883 F C 2.164 177.942 175.800 -0.036 0.000 1.120 883 F CA 0.458 58.372 58.000 -0.144 0.000 1.456 883 F CB -0.026 38.763 39.000 -0.350 0.000 1.088 883 F HN 0.237 nan 8.300 nan 0.000 0.572 884 H N -0.461 118.797 119.070 0.313 0.000 2.755 884 H HA 0.126 4.681 4.556 -0.000 0.000 0.273 884 H C 2.044 177.451 175.328 0.131 0.000 1.055 884 H CA 0.357 56.522 56.048 0.194 0.000 1.191 884 H CB 0.048 29.815 29.762 0.009 0.000 1.536 884 H HN 0.390 nan 8.280 nan 0.000 0.529 885 M N 0.858 120.580 119.600 0.203 0.000 2.530 885 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 885 M C 1.009 177.391 176.300 0.136 0.000 1.067 885 M CA 1.652 57.054 55.300 0.170 0.000 1.071 885 M CB -0.159 32.571 32.600 0.215 0.000 1.405 885 M HN -0.042 nan 8.290 nan 0.000 0.478 886 D N -0.848 119.590 120.400 0.063 0.000 2.346 886 D HA -0.022 4.617 4.640 -0.000 0.000 0.206 886 D C 0.877 177.254 176.300 0.128 0.000 1.001 886 D CA 0.361 54.431 54.000 0.116 0.000 0.871 886 D CB -0.474 40.402 40.800 0.127 0.000 0.943 886 D HN 0.498 nan 8.370 nan 0.000 0.518 887 N N 0.261 119.001 118.700 0.067 0.000 1.211 887 N HA -0.302 4.437 4.740 -0.000 0.000 0.135 887 N C -0.188 175.256 175.510 -0.110 0.000 0.603 887 N CA 2.667 55.675 53.050 -0.069 0.000 0.964 887 N CB -1.235 37.126 38.487 -0.210 0.000 1.307 887 N HN 0.367 nan 8.380 nan 0.000 0.501 888 C N -0.007 118.948 119.300 -0.576 0.000 2.563 888 C HA 0.436 4.896 4.460 -0.000 0.000 0.307 888 C C -0.732 173.949 174.990 -0.515 0.000 1.371 888 C CA -0.543 58.306 59.018 -0.282 0.000 1.772 888 C CB -2.116 25.532 27.740 -0.153 0.000 2.283 888 C HN 0.332 nan 8.230 nan 0.000 0.570 889 Y N 0.445 120.605 120.300 -0.234 0.000 2.341 889 Y HA 0.447 4.997 4.550 -0.000 0.000 0.338 889 Y C 0.246 175.586 175.900 -0.933 0.000 0.965 889 Y CA -1.054 56.752 58.100 -0.490 0.000 1.108 889 Y CB 0.958 39.309 38.460 -0.182 0.000 1.180 889 Y HN -0.127 nan 8.280 nan 0.000 0.458 890 K N 3.886 123.733 120.400 -0.922 0.000 2.349 890 K HA 0.460 4.780 4.320 -0.000 0.000 0.288 890 K C -1.501 174.928 176.600 -0.284 0.000 1.058 890 K CA 0.328 56.177 56.287 -0.730 0.000 0.953 890 K CB -0.061 32.133 32.500 -0.510 0.000 0.997 890 K HN 0.688 nan 8.250 nan 0.000 0.477 891 I N 8.270 128.741 120.570 -0.165 0.000 2.503 891 I HA 0.234 4.403 4.170 -0.000 0.000 0.282 891 I C -1.614 174.460 176.117 -0.072 0.000 1.059 891 I CA -1.689 59.549 61.300 -0.104 0.000 1.081 891 I CB 2.158 40.112 38.000 -0.076 0.000 1.210 891 I HN 0.636 nan 8.210 nan 0.000 0.450 892 P HA -0.010 nan 4.420 nan 0.000 0.223 892 P C -0.376 176.890 177.300 -0.056 0.000 1.151 892 P CA 1.051 64.114 63.100 -0.062 0.000 0.787 892 P CB 0.215 31.871 31.700 -0.073 0.000 0.788 893 N N 0.327 118.973 118.700 -0.090 0.000 2.480 893 N HA 0.442 5.181 4.740 -0.000 0.000 0.289 893 N C -1.016 174.441 175.510 -0.088 0.000 1.073 893 N CA -0.315 52.684 53.050 -0.085 0.000 0.885 893 N CB 2.471 40.878 38.487 -0.133 0.000 1.421 893 N HN 0.029 nan 8.380 nan 0.000 0.503 894 I N 0.847 121.410 120.570 -0.012 0.000 2.710 894 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 894 I C -1.593 174.569 176.117 0.075 0.000 1.318 894 I CA -0.536 60.772 61.300 0.013 0.000 1.045 894 I CB 2.172 40.184 38.000 0.019 0.000 1.307 894 I HN 0.348 nan 8.210 nan 0.000 0.424 895 R N 5.182 125.730 120.500 0.081 0.000 2.502 895 R HA 0.698 5.038 4.340 -0.000 0.000 0.300 895 R C -1.139 175.227 176.300 0.110 0.000 0.984 895 R CA -0.599 55.565 56.100 0.106 0.000 0.882 895 R CB 1.998 32.356 30.300 0.095 0.000 1.180 895 R HN 0.792 nan 8.270 nan 0.000 0.444 896 G N 1.757 110.645 108.800 0.147 0.000 2.513 896 G HA2 0.473 4.433 3.960 -0.000 0.000 0.317 896 G HA3 0.473 4.433 3.960 -0.000 0.000 0.317 896 G C -0.632 174.357 174.900 0.149 0.000 1.277 896 G CA -0.401 44.806 45.100 0.179 0.000 0.955 896 G HN 0.557 nan 8.290 nan 0.000 0.484 897 T N -1.000 113.622 114.554 0.113 0.000 2.930 897 T HA 0.866 5.216 4.350 -0.000 0.000 0.290 897 T C 0.025 174.735 174.700 0.016 0.000 1.052 897 T CA -0.536 61.580 62.100 0.026 0.000 1.017 897 T CB 2.329 71.168 68.868 -0.048 0.000 1.137 897 T HN 1.256 nan 8.240 nan 0.000 0.511 898 G N 0.721 109.447 108.800 -0.123 0.000 2.706 898 G HA2 0.655 4.615 3.960 -0.000 0.000 0.297 898 G HA3 0.655 4.615 3.960 -0.000 0.000 0.297 898 G C -1.643 173.069 174.900 -0.312 0.000 1.403 898 G CA -0.866 44.112 45.100 -0.205 0.000 0.954 898 G HN 0.642 nan 8.290 nan 0.000 0.500 899 R N -0.132 120.145 120.500 -0.373 0.000 2.771 899 R HA 0.585 4.925 4.340 -0.000 0.000 0.274 899 R C -0.944 175.280 176.300 -0.127 0.000 0.987 899 R CA -1.179 54.730 56.100 -0.319 0.000 0.908 899 R CB 1.737 31.779 30.300 -0.429 0.000 1.213 899 R HN 0.475 nan 8.270 nan 0.000 0.468 900 L N 1.728 122.959 121.223 0.014 0.000 2.294 900 L HA 0.517 4.857 4.340 -0.000 0.000 0.283 900 L C -0.365 176.678 176.870 0.289 0.000 1.015 900 L CA -0.934 53.996 54.840 0.150 0.000 0.831 900 L CB 1.616 43.793 42.059 0.197 0.000 1.217 900 L HN 0.381 nan 8.230 nan 0.000 0.420 901 C N 2.814 122.266 119.300 0.252 0.000 2.576 901 C HA 0.129 4.589 4.460 -0.000 0.000 0.401 901 C C 0.901 175.877 174.990 -0.024 0.000 1.314 901 C CA -0.566 58.550 59.018 0.164 0.000 1.855 901 C CB 0.026 27.848 27.740 0.137 0.000 2.537 901 C HN 0.677 nan 8.230 nan 0.000 0.578 902 K N 3.576 123.796 120.400 -0.299 0.000 2.263 902 K HA 0.389 4.709 4.320 -0.000 0.000 0.282 902 K C 0.116 176.548 176.600 -0.281 0.000 1.089 902 K CA 0.205 56.167 56.287 -0.541 0.000 0.907 902 K CB 0.417 32.317 32.500 -0.999 0.000 1.148 902 K HN 0.925 nan 8.250 nan 0.000 0.470 903 T N 0.174 114.640 114.554 -0.147 0.000 2.901 903 T HA 0.312 4.662 4.350 -0.000 0.000 0.293 903 T C -0.097 174.521 174.700 -0.137 0.000 1.084 903 T CA -1.089 60.926 62.100 -0.142 0.000 1.008 903 T CB 1.071 69.871 68.868 -0.113 0.000 1.170 903 T HN 0.421 nan 8.240 nan 0.000 0.509 904 N N 1.618 120.221 118.700 -0.163 0.000 3.303 904 N HA 0.338 5.078 4.740 -0.000 0.000 0.304 904 N C -0.865 174.567 175.510 -0.130 0.000 1.302 904 N CA 0.028 52.981 53.050 -0.162 0.000 1.213 904 N CB -0.465 37.918 38.487 -0.173 0.000 1.481 904 N HN 0.497 nan 8.380 nan 0.000 0.546 905 L N -0.531 120.621 121.223 -0.117 0.000 2.376 905 L HA 0.321 4.661 4.340 -0.000 0.000 0.258 905 L C 0.495 177.329 176.870 -0.060 0.000 1.013 905 L CA -0.892 53.884 54.840 -0.107 0.000 0.822 905 L CB 1.748 43.700 42.059 -0.179 0.000 1.388 905 L HN -0.044 nan 8.230 nan 0.000 0.413 906 S N 0.693 116.383 115.700 -0.016 0.000 2.599 906 S HA -0.062 4.408 4.470 -0.000 0.000 0.303 906 S C 0.299 174.906 174.600 0.011 0.000 1.267 906 S CA 0.076 58.285 58.200 0.016 0.000 1.055 906 S CB 0.382 63.620 63.200 0.064 0.000 0.790 906 S HN 0.549 nan 8.310 nan 0.000 0.500 907 S N 3.768 119.480 115.700 0.021 0.000 2.546 907 S HA 0.037 4.507 4.470 -0.000 0.000 0.290 907 S C 0.341 174.962 174.600 0.035 0.000 1.262 907 S CA -0.527 57.693 58.200 0.033 0.000 1.083 907 S CB -0.257 62.975 63.200 0.055 0.000 0.859 907 S HN 0.628 nan 8.310 nan 0.000 0.495 908 N N 2.807 121.471 118.700 -0.059 0.000 2.445 908 N HA 0.455 5.194 4.740 -0.000 0.000 0.264 908 N C 0.254 175.820 175.510 0.094 0.000 1.227 908 N CA -0.158 52.805 53.050 -0.144 0.000 0.963 908 N CB 1.509 39.621 38.487 -0.624 0.000 1.188 908 N HN 0.669 nan 8.380 nan 0.000 0.491 909 T N -1.485 113.239 114.554 0.284 0.000 2.637 909 T HA 0.582 4.932 4.350 -0.000 0.000 0.303 909 T C -1.374 173.579 174.700 0.422 0.000 1.288 909 T CA -0.507 61.821 62.100 0.381 0.000 1.040 909 T CB 0.264 69.317 68.868 0.309 0.000 1.644 909 T HN 0.493 nan 8.240 nan 0.000 0.480 910 A N 1.112 124.189 122.820 0.429 0.000 2.498 910 A HA 0.602 4.922 4.320 -0.000 0.000 0.239 910 A C -0.712 177.262 177.584 0.651 0.000 1.068 910 A CA 0.111 52.471 52.037 0.538 0.000 0.766 910 A CB -0.630 18.764 19.000 0.656 0.000 1.003 910 A HN 0.721 nan 8.150 nan 0.000 0.497 911 F N 1.684 121.896 119.950 0.437 0.000 2.596 911 F HA 0.432 4.959 4.527 -0.000 0.000 0.311 911 F C 0.452 176.431 175.800 0.298 0.000 1.116 911 F CA -1.146 57.082 58.000 0.380 0.000 0.957 911 F CB 1.259 40.326 39.000 0.112 0.000 1.250 911 F HN 0.760 nan 8.300 nan 0.000 0.444 912 R N 3.821 124.806 120.500 0.809 0.000 3.491 912 R HA 0.115 4.455 4.340 -0.000 0.000 0.269 912 R C 0.799 177.297 176.300 0.330 0.000 0.661 912 R CA 2.013 58.411 56.100 0.498 0.000 1.041 912 R CB -0.654 29.926 30.300 0.467 0.000 0.934 912 R HN 1.113 nan 8.270 nan 0.000 0.360 913 G N 3.671 112.651 108.800 0.299 0.000 2.612 913 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.200 913 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.200 913 G C 0.244 175.423 174.900 0.465 0.000 1.053 913 G CA -0.095 45.193 45.100 0.313 0.000 0.707 913 G HN 0.780 nan 8.290 nan 0.000 0.497 914 F N 0.767 120.831 119.950 0.189 0.000 3.030 914 F HA 0.093 4.620 4.527 -0.000 0.000 0.309 914 F C 1.723 177.564 175.800 0.068 0.000 0.941 914 F CA 2.461 60.559 58.000 0.162 0.000 1.082 914 F CB -1.011 38.096 39.000 0.177 0.000 1.113 914 F HN 2.117 nan 8.300 nan 0.000 0.716 915 G N -0.572 108.212 108.800 -0.026 0.000 2.241 915 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.244 915 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.244 915 G C 1.524 176.317 174.900 -0.178 0.000 0.998 915 G CA 0.787 45.796 45.100 -0.152 0.000 0.621 915 G HN 1.558 nan 8.290 nan 0.000 0.519 916 G N 1.645 110.397 108.800 -0.081 0.000 2.433 916 G HA2 0.081 4.041 3.960 -0.000 0.000 0.216 916 G HA3 0.081 4.041 3.960 -0.000 0.000 0.216 916 G C 0.127 174.949 174.900 -0.130 0.000 1.186 916 G CA 1.951 46.940 45.100 -0.184 0.000 0.779 916 G HN 0.538 nan 8.290 nan 0.000 0.543 917 P HA -0.087 nan 4.420 nan 0.000 0.216 917 P C 1.736 179.040 177.300 0.007 0.000 1.150 917 P CA 1.280 64.425 63.100 0.075 0.000 0.837 917 P CB 0.003 31.801 31.700 0.163 0.000 0.786 918 Q N -0.270 119.402 119.800 -0.213 0.000 2.020 918 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 918 Q C 2.366 178.233 176.000 -0.222 0.000 0.982 918 Q CA 2.133 57.717 55.803 -0.365 0.000 0.838 918 Q CB -1.454 26.587 28.738 -1.162 0.000 0.899 918 Q HN 0.155 nan 8.270 nan 0.000 0.423 919 A N 0.325 122.980 122.820 -0.275 0.000 1.933 919 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 919 A C 2.090 179.636 177.584 -0.062 0.000 1.175 919 A CA 1.217 53.215 52.037 -0.064 0.000 0.628 919 A CB -0.752 18.216 19.000 -0.053 0.000 0.814 919 A HN 0.330 nan 8.150 nan 0.000 0.444 920 L N -2.207 118.871 121.223 -0.241 0.000 2.046 920 L HA -0.147 4.192 4.340 -0.000 0.000 0.208 920 L C 2.472 179.107 176.870 -0.392 0.000 1.077 920 L CA 1.622 56.127 54.840 -0.558 0.000 0.747 920 L CB -0.561 40.728 42.059 -1.284 0.000 0.896 920 L HN 0.508 nan 8.230 nan 0.000 0.432 921 F N 0.924 120.748 119.950 -0.211 0.000 2.102 921 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 921 F C 2.260 178.045 175.800 -0.025 0.000 1.105 921 F CA 1.532 59.584 58.000 0.086 0.000 1.239 921 F CB -0.174 38.874 39.000 0.079 0.000 0.991 921 F HN -0.114 nan 8.300 nan 0.000 0.474 922 I N 0.337 120.882 120.570 -0.041 0.000 2.208 922 I HA -0.342 3.827 4.170 -0.000 0.000 0.245 922 I C 2.672 178.598 176.117 -0.318 0.000 1.097 922 I CA 1.325 62.547 61.300 -0.129 0.000 1.363 922 I CB -0.920 37.151 38.000 0.119 0.000 1.051 922 I HN 0.263 nan 8.210 nan 0.000 0.413 923 A N 0.122 122.765 122.820 -0.295 0.000 1.873 923 A HA -0.174 4.145 4.320 -0.000 0.000 0.215 923 A C 2.248 179.169 177.584 -1.105 0.000 1.186 923 A CA 1.434 53.070 52.037 -0.669 0.000 0.616 923 A CB -0.398 18.458 19.000 -0.242 0.000 0.823 923 A HN 0.316 nan 8.150 nan 0.000 0.442 924 E N -0.160 119.669 120.200 -0.618 0.000 2.204 924 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 924 E C 1.731 177.865 176.600 -0.776 0.000 0.989 924 E CA 1.087 57.084 56.400 -0.671 0.000 0.824 924 E CB -0.432 28.956 29.700 -0.520 0.000 0.756 924 E HN 0.716 nan 8.360 nan 0.000 0.477 925 N N 1.098 119.436 118.700 -0.603 0.000 2.084 925 N HA -0.151 4.588 4.740 -0.000 0.000 0.190 925 N C 1.913 177.208 175.510 -0.360 0.000 1.030 925 N CA 1.889 54.709 53.050 -0.383 0.000 0.849 925 N CB -0.272 37.968 38.487 -0.413 0.000 1.012 925 N HN 0.349 nan 8.380 nan 0.000 0.423 926 W N -0.581 120.495 121.300 -0.373 0.000 2.402 926 W HA -0.052 4.607 4.660 -0.000 0.000 0.286 926 W C 1.688 178.068 176.519 -0.233 0.000 1.221 926 W CA 0.198 57.381 57.345 -0.270 0.000 1.257 926 W CB -0.909 28.409 29.460 -0.237 0.000 1.120 926 W HN 0.149 nan 8.180 nan 0.000 0.551 927 M N 3.362 122.596 119.600 -0.610 0.000 2.086 927 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 927 M C 2.602 178.704 176.300 -0.331 0.000 1.067 927 M CA 2.947 57.931 55.300 -0.527 0.000 1.116 927 M CB -0.938 31.118 32.600 -0.906 0.000 1.348 927 M HN 0.072 nan 8.290 nan 0.000 0.407 928 S N -0.924 114.569 115.700 -0.345 0.000 2.419 928 S HA -0.153 4.316 4.470 -0.000 0.000 0.233 928 S C 1.742 176.276 174.600 -0.109 0.000 1.016 928 S CA 1.532 59.603 58.200 -0.215 0.000 0.974 928 S CB -0.781 62.305 63.200 -0.189 0.000 0.786 928 S HN 0.708 nan 8.310 nan 0.000 0.492 929 E N 0.593 120.749 120.200 -0.073 0.000 2.216 929 E HA 0.020 4.370 4.350 -0.000 0.000 0.192 929 E C 2.019 178.576 176.600 -0.073 0.000 0.988 929 E CA 0.786 57.179 56.400 -0.011 0.000 0.834 929 E CB -0.165 29.589 29.700 0.090 0.000 0.772 929 E HN 0.403 nan 8.360 nan 0.000 0.479 930 V N 1.457 121.251 119.914 -0.199 0.000 2.295 930 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 930 V C 2.363 178.277 176.094 -0.300 0.000 1.049 930 V CA 1.928 63.918 62.300 -0.517 0.000 1.024 930 V CB -0.740 30.703 31.823 -0.634 0.000 0.648 930 V HN 0.327 nan 8.190 nan 0.000 0.447 931 A N -0.225 122.486 122.820 -0.181 0.000 1.908 931 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 931 A C 2.373 179.941 177.584 -0.027 0.000 1.181 931 A CA 2.322 54.306 52.037 -0.087 0.000 0.627 931 A CB -0.734 18.227 19.000 -0.065 0.000 0.818 931 A HN 0.354 nan 8.150 nan 0.000 0.445 932 V N -0.573 119.331 119.914 -0.016 0.000 2.453 932 V HA -0.168 3.951 4.120 -0.000 0.000 0.247 932 V C 2.668 178.793 176.094 0.052 0.000 1.048 932 V CA 2.296 64.614 62.300 0.029 0.000 1.049 932 V CB -1.060 30.788 31.823 0.042 0.000 0.672 932 V HN 0.604 nan 8.190 nan 0.000 0.457 933 T N -1.370 113.216 114.554 0.053 0.000 2.857 933 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 933 T C 1.830 176.617 174.700 0.144 0.000 1.048 933 T CA 1.731 63.907 62.100 0.126 0.000 1.139 933 T CB -0.395 68.612 68.868 0.231 0.000 0.874 933 T HN 0.515 nan 8.240 nan 0.000 0.455 934 C N 0.850 120.218 119.300 0.112 0.000 2.481 934 C HA 0.367 4.826 4.460 -0.000 0.000 0.275 934 C C 2.202 177.240 174.990 0.079 0.000 1.419 934 C CA -0.087 59.002 59.018 0.118 0.000 1.773 934 C CB -1.401 26.393 27.740 0.090 0.000 1.862 934 C HN 0.807 nan 8.230 nan 0.000 0.530 935 G N 0.783 109.622 108.800 0.064 0.000 2.225 935 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.267 935 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.267 935 G C -0.088 174.844 174.900 0.052 0.000 1.024 935 G CA 0.167 45.301 45.100 0.056 0.000 0.784 935 G HN 0.543 nan 8.290 nan 0.000 0.507 936 L N 0.214 121.466 121.223 0.048 0.000 2.358 936 L HA 0.572 4.912 4.340 -0.000 0.000 0.268 936 L C -1.530 175.377 176.870 0.062 0.000 1.032 936 L CA -2.499 52.374 54.840 0.054 0.000 0.805 936 L CB 1.271 43.359 42.059 0.050 0.000 1.253 936 L HN -0.071 nan 8.230 nan 0.000 0.452 937 P HA 0.103 nan 4.420 nan 0.000 0.275 937 P C -0.064 177.304 177.300 0.114 0.000 1.228 937 P CA -0.295 62.873 63.100 0.113 0.000 0.786 937 P CB 1.047 32.841 31.700 0.156 0.000 0.927 938 A N 3.210 126.099 122.820 0.114 0.000 1.858 938 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 938 A C 1.826 179.496 177.584 0.144 0.000 1.190 938 A CA 1.819 53.907 52.037 0.085 0.000 0.617 938 A CB -1.274 17.761 19.000 0.059 0.000 0.827 938 A HN 0.599 nan 8.150 nan 0.000 0.443 939 E N 0.267 120.599 120.200 0.221 0.000 2.171 939 E HA -0.227 4.122 4.350 -0.000 0.000 0.197 939 E C 1.791 178.614 176.600 0.372 0.000 0.997 939 E CA 1.480 58.096 56.400 0.359 0.000 0.810 939 E CB -0.322 29.517 29.700 0.232 0.000 0.738 939 E HN 0.819 nan 8.360 nan 0.000 0.467 940 E N 0.387 120.747 120.200 0.266 0.000 2.072 940 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 940 E C 1.932 178.642 176.600 0.183 0.000 0.982 940 E CA 0.876 57.425 56.400 0.248 0.000 0.803 940 E CB 0.210 30.023 29.700 0.189 0.000 0.755 940 E HN 0.157 nan 8.360 nan 0.000 0.453 941 V N 1.066 121.034 119.914 0.090 0.000 2.379 941 V HA -0.198 3.921 4.120 -0.000 0.000 0.245 941 V C 2.387 178.423 176.094 -0.096 0.000 1.044 941 V CA 1.534 63.825 62.300 -0.014 0.000 1.036 941 V CB -0.425 31.359 31.823 -0.064 0.000 0.664 941 V HN 0.221 nan 8.190 nan 0.000 0.453 942 R N -0.849 119.605 120.500 -0.077 0.000 2.083 942 R HA -0.227 4.113 4.340 -0.000 0.000 0.237 942 R C 2.270 178.515 176.300 -0.091 0.000 1.137 942 R CA 2.188 58.206 56.100 -0.137 0.000 0.951 942 R CB -0.468 29.826 30.300 -0.012 0.000 0.851 942 R HN 0.736 nan 8.270 nan 0.000 0.434 943 W N 2.172 123.313 121.300 -0.266 0.000 2.355 943 W HA -0.184 4.475 4.660 -0.000 0.000 0.309 943 W C 1.300 177.726 176.519 -0.155 0.000 1.206 943 W CA 1.204 58.363 57.345 -0.310 0.000 1.284 943 W CB -0.195 29.125 29.460 -0.233 0.000 1.145 943 W HN 0.008 nan 8.180 nan 0.000 0.502 944 K N 0.087 120.406 120.400 -0.136 0.000 2.218 944 K HA -0.209 4.110 4.320 -0.000 0.000 0.205 944 K C 1.446 177.880 176.600 -0.277 0.000 1.046 944 K CA 1.614 57.770 56.287 -0.220 0.000 0.933 944 K CB -0.257 32.204 32.500 -0.065 0.000 0.728 944 K HN 0.160 nan 8.250 nan 0.000 0.454 945 N N -0.134 118.425 118.700 -0.234 0.000 2.280 945 N HA 0.068 4.808 4.740 -0.000 0.000 0.192 945 N C 0.101 175.513 175.510 -0.163 0.000 1.109 945 N CA 0.105 53.041 53.050 -0.191 0.000 0.855 945 N CB 0.359 38.723 38.487 -0.205 0.000 0.974 945 N HN 0.158 nan 8.380 nan 0.000 0.482 946 M N 1.016 120.485 119.600 -0.218 0.000 2.249 946 M HA 0.017 4.497 4.480 -0.000 0.000 0.340 946 M C -0.014 176.106 176.300 -0.301 0.000 1.166 946 M CA 0.065 55.237 55.300 -0.214 0.000 1.115 946 M CB 0.315 32.767 32.600 -0.246 0.000 1.606 946 M HN 0.043 nan 8.290 nan 0.000 0.448 947 Y N 2.215 122.338 120.300 -0.295 0.000 2.709 947 Y HA -0.058 4.491 4.550 -0.000 0.000 0.348 947 Y C 0.509 176.111 175.900 -0.496 0.000 1.267 947 Y CA 0.335 58.130 58.100 -0.507 0.000 1.486 947 Y CB 0.317 38.227 38.460 -0.918 0.000 1.356 947 Y HN 0.403 nan 8.280 nan 0.000 0.639 948 K N 0.885 121.129 120.400 -0.260 0.000 2.340 948 K HA 0.217 4.537 4.320 -0.000 0.000 0.244 948 K C -0.981 175.496 176.600 -0.205 0.000 0.973 948 K CA -1.438 54.747 56.287 -0.171 0.000 0.828 948 K CB 1.498 33.921 32.500 -0.128 0.000 1.226 948 K HN 0.554 nan 8.250 nan 0.000 0.437 949 E N 0.281 120.458 120.200 -0.039 0.000 2.820 949 E HA 0.068 4.418 4.350 -0.000 0.000 0.251 949 E C 0.781 177.328 176.600 -0.089 0.000 0.944 949 E CA 1.878 58.265 56.400 -0.022 0.000 0.955 949 E CB -0.426 29.298 29.700 0.041 0.000 0.904 949 E HN 0.726 nan 8.360 nan 0.000 0.513 950 G N 3.728 112.454 108.800 -0.123 0.000 2.176 950 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.232 950 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.232 950 G C -0.035 174.772 174.900 -0.155 0.000 0.986 950 G CA -0.014 45.018 45.100 -0.112 0.000 0.643 950 G HN 0.636 nan 8.290 nan 0.000 0.522 951 D N 0.195 120.459 120.400 -0.227 0.000 2.361 951 D HA 0.513 5.152 4.640 -0.000 0.000 0.239 951 D C 1.096 177.227 176.300 -0.281 0.000 1.200 951 D CA 0.125 54.000 54.000 -0.208 0.000 0.915 951 D CB 0.770 41.485 40.800 -0.141 0.000 1.170 951 D HN 0.286 nan 8.370 nan 0.000 0.444 952 L N 0.478 121.575 121.223 -0.209 0.000 2.344 952 L HA 0.327 4.667 4.340 -0.000 0.000 0.272 952 L C 1.151 177.839 176.870 -0.303 0.000 1.035 952 L CA -0.693 53.990 54.840 -0.262 0.000 0.807 952 L CB 1.606 43.568 42.059 -0.162 0.000 1.237 952 L HN 0.448 nan 8.230 nan 0.000 0.442 953 T N -3.605 110.651 114.554 -0.496 0.000 2.810 953 T HA 0.110 4.460 4.350 -0.000 0.000 0.277 953 T C 1.301 175.857 174.700 -0.240 0.000 0.973 953 T CA -0.442 61.378 62.100 -0.466 0.000 0.949 953 T CB 0.617 68.853 68.868 -1.054 0.000 1.075 953 T HN 0.737 nan 8.240 nan 0.000 0.537 954 H N 0.166 119.182 119.070 -0.091 0.000 2.541 954 H HA -0.042 4.513 4.556 -0.000 0.000 0.289 954 H C 0.957 176.360 175.328 0.125 0.000 1.054 954 H CA 1.061 57.146 56.048 0.062 0.000 1.250 954 H CB -0.778 29.088 29.762 0.174 0.000 1.369 954 H HN 0.771 nan 8.280 nan 0.000 0.578 955 F N -0.138 119.628 119.950 -0.306 0.000 2.708 955 F HA 0.428 4.955 4.527 -0.000 0.000 0.300 955 F C 0.103 175.872 175.800 -0.051 0.000 1.118 955 F CA -1.054 56.831 58.000 -0.191 0.000 1.307 955 F CB -0.082 38.676 39.000 -0.404 0.000 0.986 955 F HN -0.149 nan 8.300 nan 0.000 0.522 956 N N 1.242 119.801 118.700 -0.235 0.000 2.741 956 N HA -0.262 4.478 4.740 -0.000 0.000 0.250 956 N C -0.148 175.254 175.510 -0.180 0.000 1.115 956 N CA 1.010 53.972 53.050 -0.148 0.000 0.724 956 N CB -1.076 37.406 38.487 -0.008 0.000 1.090 956 N HN 0.750 nan 8.380 nan 0.000 0.558 957 Q N 0.484 120.050 119.800 -0.389 0.000 2.243 957 Q HA 0.320 4.660 4.340 -0.000 0.000 0.252 957 Q C 0.197 176.040 176.000 -0.260 0.000 0.909 957 Q CA -0.584 55.081 55.803 -0.230 0.000 0.922 957 Q CB 1.200 29.896 28.738 -0.071 0.000 1.215 957 Q HN 0.217 nan 8.270 nan 0.000 0.427 958 R N 3.624 124.048 120.500 -0.126 0.000 2.438 958 R HA 0.233 4.573 4.340 -0.000 0.000 0.287 958 R C -0.961 175.263 176.300 -0.128 0.000 1.077 958 R CA -0.200 55.819 56.100 -0.136 0.000 1.034 958 R CB 0.417 30.680 30.300 -0.062 0.000 0.993 958 R HN 0.614 nan 8.270 nan 0.000 0.459 959 L N 5.264 126.347 121.223 -0.234 0.000 2.259 959 L HA 0.284 4.624 4.340 -0.000 0.000 0.288 959 L C -0.275 176.578 176.870 -0.028 0.000 1.051 959 L CA -0.096 54.624 54.840 -0.200 0.000 0.824 959 L CB 1.119 42.875 42.059 -0.506 0.000 1.206 959 L HN 0.615 nan 8.230 nan 0.000 0.429 960 E N 2.435 122.696 120.200 0.100 0.000 2.183 960 E HA 0.465 4.814 4.350 -0.000 0.000 0.271 960 E C 0.455 177.155 176.600 0.167 0.000 0.919 960 E CA -0.775 55.686 56.400 0.101 0.000 0.781 960 E CB 1.980 31.725 29.700 0.075 0.000 1.140 960 E HN 0.694 nan 8.360 nan 0.000 0.402 961 G N 2.758 111.633 108.800 0.125 0.000 2.314 961 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.292 961 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.292 961 G C -0.427 174.562 174.900 0.149 0.000 1.059 961 G CA -0.007 45.166 45.100 0.120 0.000 0.982 961 G HN 0.497 nan 8.290 nan 0.000 0.505 962 F N 2.156 122.051 119.950 -0.092 0.000 2.468 962 F HA 0.482 5.009 4.527 -0.000 0.000 0.356 962 F C 1.260 176.785 175.800 -0.458 0.000 1.167 962 F CA -0.368 57.408 58.000 -0.373 0.000 1.135 962 F CB 0.688 39.520 39.000 -0.281 0.000 1.197 962 F HN 0.275 nan 8.300 nan 0.000 0.569 963 S N 2.964 117.989 115.700 -1.126 0.000 2.602 963 S HA 0.096 4.566 4.470 -0.000 0.000 0.240 963 S C 1.292 175.526 174.600 -0.609 0.000 0.992 963 S CA -0.015 57.826 58.200 -0.599 0.000 0.971 963 S CB -0.242 62.818 63.200 -0.232 0.000 0.855 963 S HN 0.421 nan 8.310 nan 0.000 0.481 964 V N 2.685 121.952 119.914 -1.078 0.000 2.343 964 V HA -0.053 4.067 4.120 -0.000 0.000 0.247 964 V C -0.445 175.546 176.094 -0.172 0.000 1.051 964 V CA 1.668 63.626 62.300 -0.570 0.000 1.036 964 V CB -1.653 29.764 31.823 -0.676 0.000 0.654 964 V HN 0.371 nan 8.190 nan 0.000 0.451 965 P HA -0.183 nan 4.420 nan 0.000 0.215 965 P C 1.808 179.216 177.300 0.179 0.000 1.157 965 P CA 1.586 64.799 63.100 0.189 0.000 0.874 965 P CB -0.114 31.715 31.700 0.216 0.000 0.790 966 R N -1.008 119.526 120.500 0.057 0.000 2.094 966 R HA -0.168 4.171 4.340 -0.000 0.000 0.239 966 R C 2.350 178.685 176.300 0.058 0.000 1.137 966 R CA 2.013 58.140 56.100 0.045 0.000 0.943 966 R CB -1.280 29.021 30.300 0.002 0.000 0.850 966 R HN 0.241 nan 8.270 nan 0.000 0.433 967 C N -0.626 118.701 119.300 0.046 0.000 2.413 967 C HA -0.166 4.293 4.460 -0.000 0.000 0.276 967 C C 2.398 177.448 174.990 0.101 0.000 1.236 967 C CA 0.175 59.229 59.018 0.060 0.000 1.735 967 C CB -1.222 26.555 27.740 0.062 0.000 2.031 967 C HN 0.670 nan 8.230 nan 0.000 0.474 968 W N 1.763 123.039 121.300 -0.041 0.000 2.315 968 W HA -0.220 4.439 4.660 -0.000 0.000 0.323 968 W C 2.127 178.590 176.519 -0.093 0.000 1.233 968 W CA 2.344 59.660 57.345 -0.049 0.000 1.267 968 W CB -0.791 28.682 29.460 0.022 0.000 1.160 968 W HN 0.406 nan 8.180 nan 0.000 0.474 969 D N -0.261 120.210 120.400 0.118 0.000 2.117 969 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 969 D C 2.027 178.282 176.300 -0.074 0.000 0.987 969 D CA 1.970 55.965 54.000 -0.010 0.000 0.829 969 D CB -0.195 40.630 40.800 0.040 0.000 0.961 969 D HN 0.263 nan 8.370 nan 0.000 0.460 970 E N -0.744 119.428 120.200 -0.047 0.000 2.158 970 E HA -0.081 4.268 4.350 -0.000 0.000 0.191 970 E C 2.118 178.661 176.600 -0.094 0.000 0.982 970 E CA 0.280 56.648 56.400 -0.054 0.000 0.823 970 E CB -0.061 29.623 29.700 -0.028 0.000 0.766 970 E HN 0.333 nan 8.360 nan 0.000 0.468 971 C N 0.873 120.092 119.300 -0.135 0.000 2.429 971 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 971 C C 2.506 177.342 174.990 -0.256 0.000 1.262 971 C CA 0.571 59.477 59.018 -0.187 0.000 1.733 971 C CB -0.951 26.658 27.740 -0.217 0.000 2.010 971 C HN 0.379 nan 8.230 nan 0.000 0.483 972 L N 0.487 121.488 121.223 -0.370 0.000 2.042 972 L HA -0.181 4.158 4.340 -0.000 0.000 0.210 972 L C 2.780 179.545 176.870 -0.175 0.000 1.076 972 L CA 1.869 56.477 54.840 -0.387 0.000 0.749 972 L CB -0.623 41.145 42.059 -0.483 0.000 0.893 972 L HN 0.385 nan 8.230 nan 0.000 0.432 973 K N -0.198 120.132 120.400 -0.116 0.000 2.025 973 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 973 K C 2.192 178.766 176.600 -0.043 0.000 1.049 973 K CA 1.776 58.034 56.287 -0.049 0.000 0.933 973 K CB -0.154 32.326 32.500 -0.033 0.000 0.714 973 K HN 0.342 nan 8.250 nan 0.000 0.438 974 S N 0.133 115.798 115.700 -0.058 0.000 2.528 974 S HA -0.037 4.433 4.470 -0.000 0.000 0.219 974 S C 1.797 176.369 174.600 -0.046 0.000 0.985 974 S CA 0.756 58.930 58.200 -0.044 0.000 0.914 974 S CB 0.121 63.296 63.200 -0.042 0.000 0.776 974 S HN 0.236 nan 8.310 nan 0.000 0.526 975 S N 0.951 116.613 115.700 -0.062 0.000 2.524 975 S HA 0.110 4.579 4.470 -0.000 0.000 0.216 975 S C 0.561 175.140 174.600 -0.035 0.000 0.987 975 S CA -0.100 58.070 58.200 -0.050 0.000 0.909 975 S CB -0.728 62.434 63.200 -0.064 0.000 0.781 975 S HN 0.542 nan 8.310 nan 0.000 0.521 976 Q N -0.362 119.420 119.800 -0.030 0.000 2.460 976 Q HA -0.271 4.068 4.340 -0.000 0.000 0.311 976 Q C 0.139 176.121 176.000 -0.029 0.000 1.396 976 Q CA 0.731 56.525 55.803 -0.014 0.000 0.838 976 Q CB -2.496 26.234 28.738 -0.013 0.000 1.140 976 Q HN 0.782 nan 8.270 nan 0.000 0.415 977 Y N -0.248 119.921 120.300 -0.218 0.000 2.097 977 Y HA -0.322 4.228 4.550 -0.000 0.000 0.282 977 Y C 1.643 177.380 175.900 -0.272 0.000 1.152 977 Y CA 2.505 60.408 58.100 -0.329 0.000 1.136 977 Y CB -0.256 37.858 38.460 -0.577 0.000 0.975 977 Y HN 0.403 nan 8.280 nan 0.000 0.498 978 Y N -0.490 119.775 120.300 -0.059 0.000 2.163 978 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 978 Y C 2.715 178.525 175.900 -0.151 0.000 1.136 978 Y CA 0.940 58.956 58.100 -0.141 0.000 1.147 978 Y CB -1.036 37.419 38.460 -0.009 0.000 0.987 978 Y HN 0.218 nan 8.280 nan 0.000 0.509 979 A N 0.977 123.831 122.820 0.057 0.000 1.859 979 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 979 A C 2.223 179.774 177.584 -0.054 0.000 1.209 979 A CA 2.216 54.254 52.037 0.002 0.000 0.639 979 A CB -0.810 18.194 19.000 0.007 0.000 0.835 979 A HN 0.407 nan 8.150 nan 0.000 0.450 980 R N -0.666 119.777 120.500 -0.095 0.000 2.127 980 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 980 R C 2.324 178.521 176.300 -0.172 0.000 1.134 980 R CA 1.507 57.534 56.100 -0.121 0.000 0.975 980 R CB -0.342 29.884 30.300 -0.124 0.000 0.865 980 R HN 0.644 nan 8.270 nan 0.000 0.447 981 K N 0.638 120.870 120.400 -0.279 0.000 2.063 981 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 981 K C 2.034 178.568 176.600 -0.111 0.000 1.048 981 K CA 1.901 58.030 56.287 -0.263 0.000 0.928 981 K CB 0.061 32.337 32.500 -0.374 0.000 0.713 981 K HN 0.055 nan 8.250 nan 0.000 0.442 982 S N 1.017 116.676 115.700 -0.068 0.000 2.359 982 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 982 S C 1.732 176.326 174.600 -0.011 0.000 1.035 982 S CA 1.572 59.757 58.200 -0.025 0.000 1.018 982 S CB -0.362 62.830 63.200 -0.013 0.000 0.876 982 S HN 0.338 nan 8.310 nan 0.000 0.448 983 E N 0.926 121.117 120.200 -0.016 0.000 2.085 983 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 983 E C 2.084 178.712 176.600 0.047 0.000 0.994 983 E CA 0.847 57.256 56.400 0.015 0.000 0.801 983 E CB -0.572 29.127 29.700 -0.002 0.000 0.743 983 E HN 0.295 nan 8.360 nan 0.000 0.453 984 V N 1.527 121.443 119.914 0.002 0.000 2.261 984 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 984 V C 1.673 177.815 176.094 0.079 0.000 1.047 984 V CA 2.169 64.482 62.300 0.022 0.000 1.015 984 V CB -0.599 31.199 31.823 -0.042 0.000 0.642 984 V HN 0.284 nan 8.190 nan 0.000 0.446 985 D N -0.051 120.371 120.400 0.036 0.000 2.116 985 D HA -0.243 4.397 4.640 -0.000 0.000 0.193 985 D C 2.092 178.419 176.300 0.045 0.000 0.998 985 D CA 1.739 55.761 54.000 0.036 0.000 0.836 985 D CB -0.306 40.502 40.800 0.013 0.000 0.951 985 D HN 0.427 nan 8.370 nan 0.000 0.449 986 K N -0.086 120.342 120.400 0.046 0.000 2.020 986 K HA -0.197 4.122 4.320 -0.000 0.000 0.212 986 K C 2.218 178.850 176.600 0.053 0.000 1.050 986 K CA 1.104 57.413 56.287 0.037 0.000 0.929 986 K CB -0.433 32.090 32.500 0.038 0.000 0.714 986 K HN 0.061 nan 8.250 nan 0.000 0.443 987 F N 2.026 121.962 119.950 -0.024 0.000 2.161 987 F HA -0.245 4.282 4.527 -0.000 0.000 0.300 987 F C 1.709 177.495 175.800 -0.023 0.000 1.089 987 F CA 1.617 59.606 58.000 -0.020 0.000 1.282 987 F CB -0.091 38.900 39.000 -0.016 0.000 1.010 987 F HN 0.183 nan 8.300 nan 0.000 0.485 988 N N 0.390 119.180 118.700 0.150 0.000 2.354 988 N HA -0.097 4.643 4.740 -0.000 0.000 0.179 988 N C 1.610 177.086 175.510 -0.056 0.000 1.021 988 N CA 0.966 54.053 53.050 0.063 0.000 0.887 988 N CB -0.281 38.257 38.487 0.084 0.000 0.974 988 N HN 0.390 nan 8.380 nan 0.000 0.437 989 K N 0.826 121.188 120.400 -0.062 0.000 2.167 989 K HA 0.017 4.337 4.320 -0.000 0.000 0.203 989 K C 1.074 177.598 176.600 -0.127 0.000 1.052 989 K CA 0.790 57.026 56.287 -0.085 0.000 0.956 989 K CB 0.147 32.614 32.500 -0.056 0.000 0.735 989 K HN 0.316 nan 8.250 nan 0.000 0.451 990 E N 0.062 120.159 120.200 -0.173 0.000 2.472 990 E HA 0.072 4.422 4.350 -0.000 0.000 0.196 990 E C -0.037 176.397 176.600 -0.277 0.000 1.033 990 E CA 0.003 56.279 56.400 -0.206 0.000 0.886 990 E CB 0.378 29.951 29.700 -0.211 0.000 0.944 990 E HN 0.177 nan 8.360 nan 0.000 0.492 991 N N -0.182 118.319 118.700 -0.332 0.000 2.284 991 N HA 0.130 4.870 4.740 -0.000 0.000 0.300 991 N C -0.554 174.828 175.510 -0.213 0.000 1.047 991 N CA -0.291 52.565 53.050 -0.323 0.000 0.821 991 N CB 2.199 40.347 38.487 -0.566 0.000 1.337 991 N HN -0.034 nan 8.380 nan 0.000 0.482 992 C N 1.067 120.253 119.300 -0.191 0.000 2.480 992 C HA 0.232 4.692 4.460 -0.000 0.000 0.304 992 C C 1.114 175.902 174.990 -0.337 0.000 1.399 992 C CA -0.137 58.665 59.018 -0.361 0.000 1.900 992 C CB -0.525 26.932 27.740 -0.472 0.000 2.194 992 C HN 0.875 nan 8.230 nan 0.000 0.550 993 W N 1.433 122.800 121.300 0.111 0.000 3.123 993 W HA 0.420 5.080 4.660 -0.000 0.000 0.383 993 W C 0.459 177.036 176.519 0.097 0.000 1.102 993 W CA -0.277 57.139 57.345 0.119 0.000 1.865 993 W CB 0.204 29.712 29.460 0.079 0.000 1.111 993 W HN 0.060 nan 8.180 nan 0.000 0.621 994 K N 1.160 121.711 120.400 0.251 0.000 2.422 994 K HA 0.412 4.732 4.320 -0.000 0.000 0.251 994 K C -0.269 176.513 176.600 0.302 0.000 0.933 994 K CA -0.833 55.615 56.287 0.268 0.000 0.798 994 K CB 2.041 34.737 32.500 0.327 0.000 1.238 994 K HN -0.426 nan 8.250 nan 0.000 0.428 995 K N 2.084 122.644 120.400 0.266 0.000 2.443 995 K HA 0.509 4.829 4.320 -0.000 0.000 0.251 995 K C -0.684 175.990 176.600 0.124 0.000 0.972 995 K CA -0.841 55.595 56.287 0.247 0.000 0.833 995 K CB 2.197 34.781 32.500 0.139 0.000 1.317 995 K HN 0.521 nan 8.250 nan 0.000 0.441 996 R N -0.281 120.261 120.500 0.071 0.000 2.778 996 R HA 0.717 5.057 4.340 -0.000 0.000 0.277 996 R C -0.078 176.208 176.300 -0.023 0.000 0.977 996 R CA -0.932 55.118 56.100 -0.083 0.000 0.950 996 R CB 2.019 32.157 30.300 -0.269 0.000 1.165 996 R HN 0.773 nan 8.270 nan 0.000 0.474 997 G N 1.060 109.835 108.800 -0.041 0.000 2.619 997 G HA2 0.622 4.582 3.960 -0.000 0.000 0.296 997 G HA3 0.622 4.582 3.960 -0.000 0.000 0.296 997 G C -2.013 172.875 174.900 -0.020 0.000 1.334 997 G CA -0.439 44.652 45.100 -0.014 0.000 0.934 997 G HN 0.360 nan 8.290 nan 0.000 0.476 998 L N 0.754 121.979 121.223 0.005 0.000 2.516 998 L HA 0.742 5.082 4.340 -0.000 0.000 0.267 998 L C -0.965 175.967 176.870 0.103 0.000 0.957 998 L CA -0.522 54.331 54.840 0.022 0.000 0.860 998 L CB 1.529 43.556 42.059 -0.052 0.000 1.265 998 L HN 0.778 nan 8.230 nan 0.000 0.403 999 C N 5.435 124.811 119.300 0.126 0.000 2.898 999 C HA 0.745 5.205 4.460 -0.000 0.000 0.304 999 C C -1.049 173.988 174.990 0.078 0.000 1.237 999 C CA -0.737 58.365 59.018 0.140 0.000 1.529 999 C CB 1.447 29.276 27.740 0.148 0.000 2.021 999 C HN 0.895 nan 8.230 nan 0.000 0.474 1000 I N 4.663 125.223 120.570 -0.017 0.000 2.499 1000 I HA 0.654 4.823 4.170 -0.000 0.000 0.288 1000 I C -1.588 174.528 176.117 -0.002 0.000 1.048 1000 I CA -0.565 60.639 61.300 -0.160 0.000 1.062 1000 I CB 1.315 38.944 38.000 -0.617 0.000 1.238 1000 I HN 0.628 nan 8.210 nan 0.000 0.426 1001 I N 9.963 130.573 120.570 0.067 0.000 2.498 1001 I HA 0.530 4.700 4.170 -0.000 0.000 0.290 1001 I C -2.362 173.918 176.117 0.273 0.000 1.032 1001 I CA -2.041 59.368 61.300 0.182 0.000 1.073 1001 I CB 2.575 40.612 38.000 0.061 0.000 1.251 1001 I HN 0.349 nan 8.210 nan 0.000 0.426 1002 P HA 0.373 nan 4.420 nan 0.000 0.281 1002 P C -0.891 176.577 177.300 0.280 0.000 1.264 1002 P CA -0.436 62.846 63.100 0.303 0.000 0.824 1002 P CB 1.825 33.646 31.700 0.202 0.000 1.092 1003 T N -0.749 113.969 114.554 0.274 0.000 3.012 1003 T HA 0.473 4.822 4.350 -0.000 0.000 0.330 1003 T C -1.468 173.418 174.700 0.310 0.000 1.321 1003 T CA -0.747 61.539 62.100 0.310 0.000 1.067 1003 T CB 0.942 70.073 68.868 0.438 0.000 1.235 1003 T HN 0.638 nan 8.240 nan 0.000 0.479 1004 K N 2.725 123.306 120.400 0.302 0.000 2.318 1004 K HA 0.810 5.129 4.320 -0.000 0.000 0.249 1004 K C -1.820 174.997 176.600 0.361 0.000 0.942 1004 K CA -0.889 55.581 56.287 0.303 0.000 0.808 1004 K CB 2.111 34.812 32.500 0.336 0.000 1.189 1004 K HN 0.442 nan 8.250 nan 0.000 0.428 1005 F N 1.071 121.083 119.950 0.103 0.000 2.585 1005 F HA 0.419 4.946 4.527 -0.000 0.000 0.319 1005 F C -0.327 175.352 175.800 -0.202 0.000 1.165 1005 F CA -0.349 57.677 58.000 0.043 0.000 0.949 1005 F CB 2.054 41.003 39.000 -0.085 0.000 1.218 1005 F HN 0.825 nan 8.300 nan 0.000 0.453 1006 G N 6.447 114.788 108.800 -0.765 0.000 2.378 1006 G HA2 0.430 4.389 3.960 -0.000 0.000 0.255 1006 G HA3 0.430 4.389 3.960 -0.000 0.000 0.255 1006 G C -0.729 173.438 174.900 -1.221 0.000 1.270 1006 G CA -0.439 43.554 45.100 -1.844 0.000 0.876 1006 G HN 0.479 nan 8.290 nan 0.000 0.521 1007 I N 1.698 121.751 120.570 -0.863 0.000 2.307 1007 I HA 0.509 4.679 4.170 -0.000 0.000 0.289 1007 I C 0.285 176.259 176.117 -0.240 0.000 1.021 1007 I CA -0.223 60.764 61.300 -0.520 0.000 1.224 1007 I CB -0.046 37.414 38.000 -0.899 0.000 1.376 1007 I HN 0.409 nan 8.210 nan 0.000 0.470 1008 S N 4.604 120.232 115.700 -0.121 0.000 2.798 1008 S HA 0.206 4.676 4.470 -0.000 0.000 0.277 1008 S C -0.754 173.779 174.600 -0.111 0.000 0.840 1008 S CA -0.909 57.243 58.200 -0.081 0.000 0.967 1008 S CB 0.202 63.389 63.200 -0.022 0.000 1.219 1008 S HN 0.290 nan 8.310 nan 0.000 0.481 1009 F N 2.311 122.202 119.950 -0.099 0.000 2.578 1009 F HA 0.136 4.663 4.527 -0.000 0.000 0.376 1009 F C 2.323 178.052 175.800 -0.118 0.000 1.085 1009 F CA 0.842 58.765 58.000 -0.129 0.000 1.260 1009 F CB 0.688 39.582 39.000 -0.177 0.000 1.095 1009 F HN 0.790 nan 8.300 nan 0.000 0.573 1010 T N -0.996 113.628 114.554 0.117 0.000 3.007 1010 T HA -0.022 4.328 4.350 -0.000 0.000 0.270 1010 T C 0.534 175.283 174.700 0.081 0.000 1.107 1010 T CA 0.287 62.428 62.100 0.069 0.000 1.118 1010 T CB -0.490 68.537 68.868 0.265 0.000 0.889 1010 T HN 0.190 nan 8.240 nan 0.000 0.506 1011 V N 4.041 123.983 119.914 0.047 0.000 2.372 1011 V HA 0.211 4.331 4.120 -0.000 0.000 0.261 1011 V C -1.215 174.762 176.094 -0.194 0.000 1.055 1011 V CA -1.650 60.579 62.300 -0.117 0.000 0.930 1011 V CB 1.011 32.638 31.823 -0.327 0.000 1.031 1011 V HN 0.198 nan 8.190 nan 0.000 0.479 1012 P HA -0.217 nan 4.420 nan 0.000 0.216 1012 P C 1.595 178.860 177.300 -0.058 0.000 1.154 1012 P CA 1.532 64.604 63.100 -0.047 0.000 0.865 1012 P CB -0.044 31.670 31.700 0.023 0.000 0.789 1013 F N -1.353 118.572 119.950 -0.042 0.000 2.494 1013 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 1013 F C 1.530 177.251 175.800 -0.133 0.000 1.106 1013 F CA 0.821 58.780 58.000 -0.069 0.000 1.452 1013 F CB -1.666 37.305 39.000 -0.049 0.000 1.085 1013 F HN -0.180 nan 8.300 nan 0.000 0.569 1014 L N 0.639 121.564 121.223 -0.496 0.000 2.492 1014 L HA 0.014 4.353 4.340 -0.000 0.000 0.223 1014 L C 0.725 177.372 176.870 -0.372 0.000 1.132 1014 L CA 0.266 54.746 54.840 -0.601 0.000 0.850 1014 L CB -0.690 40.589 42.059 -1.299 0.000 0.966 1014 L HN 0.140 nan 8.230 nan 0.000 0.454 1015 N N 2.748 121.353 118.700 -0.159 0.000 3.254 1015 N HA 0.050 4.790 4.740 -0.000 0.000 0.308 1015 N C -0.442 174.957 175.510 -0.186 0.000 1.281 1015 N CA 0.172 53.175 53.050 -0.078 0.000 1.212 1015 N CB 0.226 38.670 38.487 -0.070 0.000 1.478 1015 N HN 0.531 nan 8.380 nan 0.000 0.548 1016 Q N -0.825 118.850 119.800 -0.208 0.000 2.379 1016 Q HA 0.822 5.162 4.340 -0.000 0.000 0.278 1016 Q C -1.794 173.967 176.000 -0.398 0.000 1.068 1016 Q CA -1.272 54.328 55.803 -0.337 0.000 0.816 1016 Q CB 2.308 30.960 28.738 -0.143 0.000 1.387 1016 Q HN 0.093 nan 8.270 nan 0.000 0.413 1017 A N 0.767 123.199 122.820 -0.647 0.000 2.547 1017 A HA 0.887 5.206 4.320 -0.000 0.000 0.297 1017 A C -0.870 176.477 177.584 -0.395 0.000 1.056 1017 A CA -0.161 51.597 52.037 -0.464 0.000 0.688 1017 A CB 1.935 20.509 19.000 -0.710 0.000 1.282 1017 A HN 0.916 nan 8.150 nan 0.000 0.400 1018 G N -0.204 108.647 108.800 0.086 0.000 2.481 1018 G HA2 0.859 4.819 3.960 -0.000 0.000 0.315 1018 G HA3 0.859 4.819 3.960 -0.000 0.000 0.315 1018 G C -0.497 174.578 174.900 0.291 0.000 1.231 1018 G CA 0.045 45.297 45.100 0.254 0.000 0.968 1018 G HN 1.804 nan 8.290 nan 0.000 0.482 1019 A N 0.131 123.091 122.820 0.233 0.000 2.469 1019 A HA 0.849 5.168 4.320 -0.000 0.000 0.299 1019 A C -1.638 176.007 177.584 0.100 0.000 1.098 1019 A CA -0.683 51.459 52.037 0.176 0.000 0.737 1019 A CB 2.128 21.227 19.000 0.164 0.000 1.312 1019 A HN 1.434 nan 8.150 nan 0.000 0.414 1020 L N 1.570 122.809 121.223 0.026 0.000 2.441 1020 L HA 0.695 5.035 4.340 -0.000 0.000 0.270 1020 L C -1.586 175.158 176.870 -0.210 0.000 0.973 1020 L CA -0.051 54.747 54.840 -0.071 0.000 0.842 1020 L CB 1.162 43.179 42.059 -0.070 0.000 1.239 1020 L HN 0.608 nan 8.230 nan 0.000 0.406 1021 I N 4.808 125.244 120.570 -0.224 0.000 2.433 1021 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 1021 I C -0.779 175.141 176.117 -0.329 0.000 1.001 1021 I CA -0.765 60.393 61.300 -0.237 0.000 1.119 1021 I CB 1.471 39.436 38.000 -0.058 0.000 1.289 1021 I HN 0.558 nan 8.210 nan 0.000 0.438 1022 H N 5.270 124.297 119.070 -0.072 0.000 2.524 1022 H HA 0.480 5.036 4.556 -0.000 0.000 0.353 1022 H C -0.733 174.451 175.328 -0.240 0.000 1.136 1022 H CA -0.800 55.114 56.048 -0.224 0.000 1.193 1022 H CB 2.407 31.896 29.762 -0.455 0.000 1.558 1022 H HN 0.173 nan 8.280 nan 0.000 0.515 1023 V N 4.191 124.053 119.914 -0.087 0.000 2.370 1023 V HA 0.179 4.299 4.120 -0.000 0.000 0.283 1023 V C -0.253 175.732 176.094 -0.183 0.000 1.023 1023 V CA -0.748 61.532 62.300 -0.033 0.000 0.857 1023 V CB 0.014 31.890 31.823 0.089 0.000 0.985 1023 V HN 0.579 nan 8.190 nan 0.000 0.443 1024 Y N 1.933 122.275 120.300 0.070 0.000 2.295 1024 Y HA 0.219 4.768 4.550 -0.001 0.000 0.331 1024 Y C 2.106 177.961 175.900 -0.074 0.000 1.311 1024 Y CA 0.150 58.239 58.100 -0.018 0.000 1.430 1024 Y CB 0.804 39.258 38.460 -0.010 0.000 1.339 1024 Y HN 0.733 nan 8.280 nan 0.000 0.552 1025 T N -3.458 111.100 114.554 0.007 0.000 3.072 1025 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 1025 T C 0.862 175.525 174.700 -0.062 0.000 1.127 1025 T CA 1.015 63.038 62.100 -0.128 0.000 1.107 1025 T CB -0.338 68.344 68.868 -0.310 0.000 0.910 1025 T HN 0.738 nan 8.240 nan 0.000 0.513 1026 D N 1.020 121.425 120.400 0.008 0.000 2.349 1026 D HA 0.164 4.803 4.640 -0.000 0.000 0.224 1026 D C 1.693 178.035 176.300 0.070 0.000 1.029 1026 D CA 0.613 54.623 54.000 0.017 0.000 0.879 1026 D CB -0.770 40.037 40.800 0.012 0.000 0.906 1026 D HN 0.569 nan 8.370 nan 0.000 0.528 1027 G N 0.402 109.266 108.800 0.105 0.000 2.176 1027 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.253 1027 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.253 1027 G C 0.358 175.515 174.900 0.429 0.000 0.979 1027 G CA 0.495 45.739 45.100 0.240 0.000 0.641 1027 G HN 0.848 nan 8.290 nan 0.000 0.530 1028 S N -0.746 115.125 115.700 0.284 0.000 2.584 1028 S HA 0.713 5.183 4.470 -0.000 0.000 0.273 1028 S C -0.016 174.794 174.600 0.350 0.000 1.311 1028 S CA -0.094 58.266 58.200 0.267 0.000 1.034 1028 S CB 2.484 65.784 63.200 0.167 0.000 0.939 1028 S HN 1.091 nan 8.310 nan 0.000 0.513 1029 V N 3.232 123.317 119.914 0.285 0.000 2.487 1029 V HA 0.507 4.626 4.120 -0.000 0.000 0.298 1029 V C -0.634 175.609 176.094 0.248 0.000 1.028 1029 V CA -0.798 61.652 62.300 0.249 0.000 0.860 1029 V CB 1.311 33.241 31.823 0.178 0.000 0.991 1029 V HN 0.898 nan 8.190 nan 0.000 0.427 1030 L N 6.502 127.877 121.223 0.253 0.000 2.287 1030 L HA 0.703 5.043 4.340 -0.000 0.000 0.287 1030 L C -0.480 176.427 176.870 0.063 0.000 1.022 1030 L CA 0.132 55.113 54.840 0.235 0.000 0.814 1030 L CB 1.575 43.887 42.059 0.420 0.000 1.217 1030 L HN 0.460 nan 8.230 nan 0.000 0.420 1031 V N 3.879 123.809 119.914 0.027 0.000 2.547 1031 V HA 0.758 4.878 4.120 -0.000 0.000 0.299 1031 V C -0.120 175.942 176.094 -0.052 0.000 1.040 1031 V CA -0.414 61.877 62.300 -0.016 0.000 0.913 1031 V CB 1.695 33.529 31.823 0.018 0.000 0.992 1031 V HN 0.839 nan 8.190 nan 0.000 0.449 1032 S N 3.850 119.522 115.700 -0.047 0.000 2.572 1032 S HA 0.647 5.116 4.470 -0.000 0.000 0.274 1032 S C -1.046 173.540 174.600 -0.024 0.000 1.150 1032 S CA -0.714 57.424 58.200 -0.104 0.000 0.944 1032 S CB 0.962 64.100 63.200 -0.104 0.000 1.071 1032 S HN 1.055 nan 8.310 nan 0.000 0.479 1033 H N 1.393 120.402 119.070 -0.101 0.000 2.941 1033 H HA 0.539 5.094 4.556 -0.000 0.000 0.344 1033 H C 0.962 176.159 175.328 -0.219 0.000 1.235 1033 H CA -0.449 55.543 56.048 -0.094 0.000 1.149 1033 H CB 1.112 30.830 29.762 -0.074 0.000 1.885 1033 H HN 0.680 nan 8.280 nan 0.000 0.558 1034 G N -0.228 108.451 108.800 -0.203 0.000 2.598 1034 G HA2 0.067 4.027 3.960 -0.000 0.000 0.215 1034 G HA3 0.067 4.027 3.960 -0.000 0.000 0.215 1034 G C 0.714 175.289 174.900 -0.541 0.000 1.131 1034 G CA 0.379 45.336 45.100 -0.239 0.000 0.785 1034 G HN 0.815 nan 8.290 nan 0.000 0.539 1035 G N -0.223 107.969 108.800 -1.013 0.000 2.476 1035 G HA2 0.472 4.432 3.960 -0.000 0.000 0.269 1035 G HA3 0.472 4.432 3.960 -0.000 0.000 0.269 1035 G C 0.001 174.743 174.900 -0.264 0.000 1.195 1035 G CA 0.328 45.097 45.100 -0.550 0.000 0.843 1035 G HN 0.369 nan 8.290 nan 0.000 0.545 1036 T N -1.529 112.932 114.554 -0.155 0.000 2.918 1036 T HA 0.570 4.920 4.350 -0.000 0.000 0.286 1036 T C -0.434 174.122 174.700 -0.240 0.000 1.026 1036 T CA -0.801 61.206 62.100 -0.154 0.000 1.031 1036 T CB 2.296 71.101 68.868 -0.104 0.000 1.046 1036 T HN 0.439 nan 8.240 nan 0.000 0.479 1037 E N 1.943 121.938 120.200 -0.341 0.000 2.229 1037 E HA 0.423 4.773 4.350 -0.000 0.000 0.283 1037 E C 0.315 176.827 176.600 -0.146 0.000 1.030 1037 E CA -0.588 55.620 56.400 -0.319 0.000 0.836 1037 E CB 0.706 30.182 29.700 -0.373 0.000 1.068 1037 E HN 0.771 nan 8.360 nan 0.000 0.401 1038 M N 2.442 121.970 119.600 -0.119 0.000 2.625 1038 M HA 0.475 4.954 4.480 -0.000 0.000 0.396 1038 M C 0.764 177.005 176.300 -0.098 0.000 1.174 1038 M CA 0.063 55.288 55.300 -0.126 0.000 0.898 1038 M CB 0.746 33.220 32.600 -0.210 0.000 1.450 1038 M HN 0.592 nan 8.290 nan 0.000 0.522 1039 G N 1.727 110.527 108.800 -0.001 0.000 2.218 1039 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 1039 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 1039 G C 0.863 175.826 174.900 0.106 0.000 0.994 1039 G CA 0.455 45.584 45.100 0.048 0.000 0.637 1039 G HN 0.642 nan 8.290 nan 0.000 0.505 1040 Q N 1.365 121.197 119.800 0.052 0.000 2.432 1040 Q HA 0.321 4.661 4.340 -0.000 0.000 0.205 1040 Q C 1.584 177.616 176.000 0.054 0.000 0.945 1040 Q CA 1.531 57.364 55.803 0.051 0.000 0.924 1040 Q CB -0.213 28.531 28.738 0.009 0.000 1.016 1040 Q HN 1.971 nan 8.270 nan 0.000 0.503 1041 G N 1.744 110.572 108.800 0.046 0.000 2.165 1041 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.226 1041 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.226 1041 G C 0.261 175.085 174.900 -0.126 0.000 1.035 1041 G CA 0.334 45.378 45.100 -0.092 0.000 0.744 1041 G HN 0.378 nan 8.290 nan 0.000 0.501 1042 L N 0.131 121.276 121.223 -0.131 0.000 2.005 1042 L HA 0.087 4.427 4.340 -0.000 0.000 0.207 1042 L C 2.588 179.442 176.870 -0.027 0.000 1.072 1042 L CA 2.882 57.670 54.840 -0.086 0.000 0.744 1042 L CB -0.595 41.407 42.059 -0.095 0.000 0.895 1042 L HN 0.382 nan 8.230 nan 0.000 0.433 1043 H N -0.602 118.441 119.070 -0.045 0.000 2.353 1043 H HA -0.131 4.425 4.556 -0.000 0.000 0.298 1043 H C 2.166 177.428 175.328 -0.110 0.000 1.103 1043 H CA 1.892 57.912 56.048 -0.047 0.000 1.293 1043 H CB -1.233 28.478 29.762 -0.085 0.000 1.372 1043 H HN 0.371 nan 8.280 nan 0.000 0.501 1044 T N 1.283 115.794 114.554 -0.072 0.000 2.635 1044 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 1044 T C 2.068 176.740 174.700 -0.047 0.000 1.040 1044 T CA 1.874 63.910 62.100 -0.106 0.000 1.156 1044 T CB -0.054 68.690 68.868 -0.206 0.000 0.863 1044 T HN 0.368 nan 8.240 nan 0.000 0.430 1045 K N 0.250 120.626 120.400 -0.041 0.000 2.025 1045 K HA 0.018 4.338 4.320 -0.000 0.000 0.207 1045 K C 2.447 179.043 176.600 -0.007 0.000 1.049 1045 K CA 1.105 57.383 56.287 -0.016 0.000 0.933 1045 K CB -0.168 32.325 32.500 -0.011 0.000 0.714 1045 K HN 0.201 nan 8.250 nan 0.000 0.438 1046 M N 0.544 120.128 119.600 -0.026 0.000 2.149 1046 M HA -0.141 4.338 4.480 -0.000 0.000 0.261 1046 M C 2.245 178.542 176.300 -0.006 0.000 1.064 1046 M CA 1.383 56.656 55.300 -0.046 0.000 1.102 1046 M CB -0.897 31.611 32.600 -0.152 0.000 1.369 1046 M HN -0.050 nan 8.290 nan 0.000 0.408 1047 V N 0.433 120.346 119.914 -0.002 0.000 2.358 1047 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 1047 V C 2.449 178.544 176.094 0.002 0.000 1.047 1047 V CA 1.565 63.864 62.300 -0.002 0.000 1.035 1047 V CB -0.784 31.034 31.823 -0.008 0.000 0.658 1047 V HN 0.516 nan 8.190 nan 0.000 0.452 1048 Q N -0.485 119.315 119.800 0.001 0.000 2.061 1048 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 1048 Q C 2.347 178.366 176.000 0.031 0.000 0.984 1048 Q CA 2.086 57.890 55.803 0.001 0.000 0.846 1048 Q CB -0.491 28.245 28.738 -0.004 0.000 0.902 1048 Q HN 0.539 nan 8.270 nan 0.000 0.421 1049 V N 1.201 121.163 119.914 0.079 0.000 2.255 1049 V HA -0.339 3.781 4.120 -0.000 0.000 0.247 1049 V C 2.335 178.533 176.094 0.174 0.000 1.051 1049 V CA 2.025 64.439 62.300 0.190 0.000 1.018 1049 V CB -1.153 30.769 31.823 0.164 0.000 0.641 1049 V HN 0.464 nan 8.190 nan 0.000 0.445 1050 A N -0.501 122.371 122.820 0.087 0.000 1.908 1050 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 1050 A C 2.585 180.176 177.584 0.011 0.000 1.181 1050 A CA 2.430 54.498 52.037 0.051 0.000 0.627 1050 A CB -0.892 18.120 19.000 0.021 0.000 0.818 1050 A HN 0.542 nan 8.150 nan 0.000 0.445 1051 S N -0.373 115.320 115.700 -0.010 0.000 2.368 1051 S HA -0.236 4.234 4.470 -0.000 0.000 0.225 1051 S C 2.133 176.704 174.600 -0.049 0.000 1.030 1051 S CA 2.004 60.170 58.200 -0.056 0.000 0.999 1051 S CB -0.339 62.829 63.200 -0.054 0.000 0.844 1051 S HN 0.629 nan 8.310 nan 0.000 0.459 1052 K N 0.412 120.803 120.400 -0.016 0.000 2.057 1052 K HA 0.023 4.343 4.320 -0.000 0.000 0.206 1052 K C 2.220 178.850 176.600 0.050 0.000 1.050 1052 K CA 1.156 57.425 56.287 -0.030 0.000 0.935 1052 K CB -0.567 31.848 32.500 -0.141 0.000 0.715 1052 K HN 0.416 nan 8.250 nan 0.000 0.439 1053 A N 1.130 124.032 122.820 0.138 0.000 1.898 1053 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 1053 A C 2.034 179.638 177.584 0.033 0.000 1.181 1053 A CA 1.113 53.239 52.037 0.148 0.000 0.620 1053 A CB -0.413 18.668 19.000 0.134 0.000 0.819 1053 A HN 0.325 nan 8.150 nan 0.000 0.442 1054 L N -1.229 119.986 121.223 -0.013 0.000 2.418 1054 L HA 0.021 4.361 4.340 -0.000 0.000 0.218 1054 L C 0.025 176.843 176.870 -0.087 0.000 1.125 1054 L CA 0.376 55.183 54.840 -0.056 0.000 0.835 1054 L CB -0.163 41.797 42.059 -0.165 0.000 0.953 1054 L HN 0.363 nan 8.230 nan 0.000 0.454 1055 K N 1.477 121.832 120.400 -0.075 0.000 3.585 1055 K HA -0.178 4.141 4.320 -0.000 0.000 0.275 1055 K C -0.550 175.960 176.600 -0.149 0.000 1.026 1055 K CA 0.627 56.876 56.287 -0.062 0.000 0.800 1055 K CB -2.343 30.170 32.500 0.021 0.000 1.401 1055 K HN 0.527 nan 8.250 nan 0.000 0.453 1056 I N -4.323 116.102 120.570 -0.241 0.000 2.894 1056 I HA 0.601 4.770 4.170 -0.000 0.000 0.302 1056 I C -2.790 173.204 176.117 -0.206 0.000 1.188 1056 I CA -3.203 57.906 61.300 -0.319 0.000 1.014 1056 I CB 2.426 40.006 38.000 -0.700 0.000 1.242 1056 I HN -0.258 nan 8.210 nan 0.000 0.430 1057 P HA 0.199 nan 4.420 nan 0.000 0.269 1057 P C 1.182 178.428 177.300 -0.090 0.000 1.215 1057 P CA -0.300 62.741 63.100 -0.099 0.000 0.780 1057 P CB 0.570 32.226 31.700 -0.074 0.000 0.898 1058 I N 0.001 120.538 120.570 -0.055 0.000 2.423 1058 I HA -0.251 3.919 4.170 -0.000 0.000 0.254 1058 I C 1.571 177.683 176.117 -0.008 0.000 1.151 1058 I CA 2.131 63.413 61.300 -0.030 0.000 1.421 1058 I CB -0.986 37.005 38.000 -0.015 0.000 1.079 1058 I HN 0.252 nan 8.210 nan 0.000 0.431 1059 S N 1.009 116.701 115.700 -0.013 0.000 2.474 1059 S HA -0.080 4.390 4.470 -0.000 0.000 0.235 1059 S C 1.792 176.395 174.600 0.005 0.000 0.997 1059 S CA 0.676 58.878 58.200 0.003 0.000 0.949 1059 S CB -0.474 62.721 63.200 -0.007 0.000 0.766 1059 S HN 0.589 nan 8.310 nan 0.000 0.517 1060 K N 0.289 120.678 120.400 -0.019 0.000 2.459 1060 K HA 0.330 4.650 4.320 -0.000 0.000 0.193 1060 K C -0.052 176.574 176.600 0.043 0.000 1.030 1060 K CA 0.294 56.578 56.287 -0.005 0.000 1.026 1060 K CB 0.034 32.487 32.500 -0.078 0.000 0.809 1060 K HN 0.478 nan 8.250 nan 0.000 0.504 1061 I N 0.327 120.928 120.570 0.051 0.000 2.441 1061 I HA 0.233 4.403 4.170 -0.000 0.000 0.295 1061 I C -1.003 175.223 176.117 0.182 0.000 0.994 1061 I CA -1.221 60.133 61.300 0.090 0.000 1.144 1061 I CB 1.247 39.265 38.000 0.030 0.000 1.314 1061 I HN -0.132 nan 8.210 nan 0.000 0.445 1062 Y N 6.194 126.507 120.300 0.021 0.000 2.492 1062 Y HA 0.653 5.202 4.550 -0.000 0.000 0.346 1062 Y C -1.140 174.749 175.900 -0.018 0.000 0.997 1062 Y CA -0.926 57.176 58.100 0.003 0.000 1.025 1062 Y CB 1.664 40.131 38.460 0.012 0.000 1.263 1062 Y HN 0.332 nan 8.280 nan 0.000 0.454 1063 I N 4.105 124.321 120.570 -0.589 0.000 2.406 1063 I HA 0.284 4.453 4.170 -0.000 0.000 0.290 1063 I C 0.384 175.951 176.117 -0.917 0.000 0.999 1063 I CA -0.350 60.584 61.300 -0.610 0.000 1.124 1063 I CB 2.115 39.761 38.000 -0.590 0.000 1.289 1063 I HN 0.694 nan 8.210 nan 0.000 0.441 1064 S N 4.746 120.126 115.700 -0.533 0.000 2.506 1064 S HA 0.188 4.658 4.470 -0.000 0.000 0.230 1064 S C 0.222 174.702 174.600 -0.200 0.000 1.066 1064 S CA 0.456 58.474 58.200 -0.303 0.000 0.940 1064 S CB 0.271 63.470 63.200 -0.002 0.000 0.818 1064 S HN 0.826 nan 8.310 nan 0.000 0.518 1065 E N -1.270 118.804 120.200 -0.209 0.000 2.427 1065 E HA 0.316 4.666 4.350 -0.000 0.000 0.279 1065 E C -1.670 174.836 176.600 -0.158 0.000 1.120 1065 E CA -0.979 55.349 56.400 -0.121 0.000 0.869 1065 E CB 0.551 30.232 29.700 -0.031 0.000 1.393 1065 E HN -0.082 nan 8.360 nan 0.000 0.443 1066 T N 1.276 115.767 114.554 -0.106 0.000 2.779 1066 T HA 0.630 4.980 4.350 -0.000 0.000 0.280 1066 T C -0.988 173.660 174.700 -0.085 0.000 0.987 1066 T CA -0.408 61.609 62.100 -0.138 0.000 0.966 1066 T CB 1.055 69.838 68.868 -0.141 0.000 0.933 1066 T HN 0.565 nan 8.240 nan 0.000 0.442 1067 S N 0.723 116.374 115.700 -0.080 0.000 2.536 1067 S HA 0.385 4.855 4.470 -0.000 0.000 0.271 1067 S C 1.045 175.619 174.600 -0.043 0.000 1.134 1067 S CA -0.688 57.480 58.200 -0.055 0.000 0.897 1067 S CB 1.427 64.606 63.200 -0.035 0.000 1.094 1067 S HN 0.679 nan 8.310 nan 0.000 0.473 1068 T N -0.866 113.661 114.554 -0.044 0.000 3.072 1068 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 1068 T C 1.147 175.837 174.700 -0.016 0.000 1.127 1068 T CA 1.225 63.306 62.100 -0.031 0.000 1.107 1068 T CB -0.721 68.122 68.868 -0.042 0.000 0.910 1068 T HN 0.751 nan 8.240 nan 0.000 0.513 1069 N N 1.394 120.086 118.700 -0.014 0.000 2.280 1069 N HA -0.006 4.733 4.740 -0.000 0.000 0.192 1069 N C 1.354 176.877 175.510 0.021 0.000 1.109 1069 N CA 0.871 53.922 53.050 0.002 0.000 0.855 1069 N CB -0.144 38.342 38.487 -0.002 0.000 0.974 1069 N HN 0.634 nan 8.380 nan 0.000 0.482 1070 T N -2.972 111.593 114.554 0.018 0.000 3.056 1070 T HA 0.266 4.616 4.350 -0.000 0.000 0.243 1070 T C 0.399 175.118 174.700 0.032 0.000 0.995 1070 T CA 0.102 62.221 62.100 0.033 0.000 1.091 1070 T CB -0.159 68.724 68.868 0.024 0.000 0.990 1070 T HN -0.115 nan 8.240 nan 0.000 0.464 1071 V N 4.554 124.481 119.914 0.022 0.000 2.376 1071 V HA 0.561 4.680 4.120 -0.000 0.000 0.287 1071 V C -2.602 173.523 176.094 0.052 0.000 1.015 1071 V CA -2.029 60.304 62.300 0.054 0.000 0.834 1071 V CB 1.542 33.407 31.823 0.071 0.000 1.001 1071 V HN 0.355 nan 8.190 nan 0.000 0.428 1072 P HA 0.436 nan 4.420 nan 0.000 0.283 1072 P C -0.292 177.051 177.300 0.071 0.000 1.271 1072 P CA -0.459 62.669 63.100 0.047 0.000 0.841 1072 P CB 0.687 32.407 31.700 0.034 0.000 1.122 1073 N N -1.891 116.835 118.700 0.043 0.000 2.735 1073 N HA -0.122 4.618 4.740 -0.000 0.000 0.248 1073 N C -0.244 175.312 175.510 0.077 0.000 1.083 1073 N CA 1.033 54.112 53.050 0.048 0.000 0.703 1073 N CB -2.251 36.270 38.487 0.057 0.000 1.005 1073 N HN 0.642 nan 8.380 nan 0.000 0.550 1074 S N -1.960 113.783 115.700 0.072 0.000 2.585 1074 S HA 0.637 5.107 4.470 -0.000 0.000 0.277 1074 S C 0.565 175.204 174.600 0.064 0.000 1.241 1074 S CA -0.669 57.597 58.200 0.109 0.000 1.041 1074 S CB 2.128 65.410 63.200 0.137 0.000 0.987 1074 S HN 0.158 nan 8.310 nan 0.000 0.512 1075 S N 3.363 119.100 115.700 0.061 0.000 2.593 1075 S HA 0.370 4.839 4.470 -0.000 0.000 0.269 1075 S C -2.194 172.438 174.600 0.052 0.000 1.334 1075 S CA -0.846 57.328 58.200 -0.043 0.000 1.015 1075 S CB -0.208 62.874 63.200 -0.198 0.000 0.912 1075 S HN 0.730 nan 8.310 nan 0.000 0.541 1076 P HA 0.032 nan 4.420 nan 0.000 0.267 1076 P C -0.611 176.818 177.300 0.215 0.000 1.200 1076 P CA -0.104 63.056 63.100 0.100 0.000 0.772 1076 P CB -0.077 31.682 31.700 0.098 0.000 0.855 1077 T N 2.128 116.777 114.554 0.158 0.000 2.825 1077 T HA 0.409 4.758 4.350 -0.000 0.000 0.270 1077 T C 0.408 175.195 174.700 0.144 0.000 0.919 1077 T CA 0.463 62.667 62.100 0.174 0.000 1.159 1077 T CB -0.674 68.236 68.868 0.071 0.000 0.889 1077 T HN 0.616 nan 8.240 nan 0.000 0.565 1078 A N 2.270 125.196 122.820 0.177 0.000 2.515 1078 A HA 0.866 5.185 4.320 -0.000 0.000 0.299 1078 A C 0.802 178.223 177.584 -0.271 0.000 1.179 1078 A CA -0.270 51.785 52.037 0.030 0.000 0.656 1078 A CB 0.057 19.124 19.000 0.111 0.000 1.306 1078 A HN 1.446 nan 8.150 nan 0.000 0.459 1079 A N -1.237 121.338 122.820 -0.407 0.000 3.100 1079 A HA -0.033 4.286 4.320 -0.000 0.000 0.268 1079 A C 1.320 178.734 177.584 -0.283 0.000 1.227 1079 A CA 2.140 53.859 52.037 -0.530 0.000 0.967 1079 A CB -2.294 15.996 19.000 -1.183 0.000 1.066 1079 A HN 2.509 nan 8.150 nan 0.000 0.787 1080 S N -4.969 110.629 115.700 -0.170 0.000 2.857 1080 S HA -0.316 4.154 4.470 -0.000 0.000 0.268 1080 S C 1.114 175.672 174.600 -0.071 0.000 1.297 1080 S CA 1.740 59.884 58.200 -0.093 0.000 1.280 1080 S CB -2.301 60.841 63.200 -0.096 0.000 1.562 1080 S HN 2.330 nan 8.310 nan 0.000 0.661 1081 V N -0.945 118.900 119.914 -0.115 0.000 3.649 1081 V HA 0.274 4.394 4.120 -0.000 0.000 0.275 1081 V C 1.601 177.697 176.094 0.003 0.000 1.281 1081 V CA 1.238 63.501 62.300 -0.061 0.000 1.143 1081 V CB 0.174 31.931 31.823 -0.109 0.000 0.892 1081 V HN 0.397 nan 8.190 nan 0.000 0.441 1082 S N 1.366 117.105 115.700 0.065 0.000 2.368 1082 S HA -0.167 4.302 4.470 -0.000 0.000 0.225 1082 S C 1.950 176.658 174.600 0.180 0.000 1.030 1082 S CA 2.126 60.453 58.200 0.212 0.000 0.999 1082 S CB -0.520 62.857 63.200 0.296 0.000 0.844 1082 S HN 0.742 nan 8.310 nan 0.000 0.459 1083 T N 2.051 116.657 114.554 0.088 0.000 2.867 1083 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 1083 T C 1.295 175.993 174.700 -0.003 0.000 1.057 1083 T CA 1.344 63.470 62.100 0.044 0.000 1.136 1083 T CB -0.427 68.459 68.868 0.029 0.000 0.874 1083 T HN 0.312 nan 8.240 nan 0.000 0.466 1084 D N 1.244 121.642 120.400 -0.002 0.000 2.084 1084 D HA -0.018 4.621 4.640 -0.000 0.000 0.196 1084 D C 2.139 178.358 176.300 -0.135 0.000 0.985 1084 D CA 0.921 54.899 54.000 -0.037 0.000 0.826 1084 D CB -0.302 40.537 40.800 0.065 0.000 0.978 1084 D HN 0.540 nan 8.370 nan 0.000 0.456 1085 I N -2.462 118.035 120.570 -0.122 0.000 2.400 1085 I HA -0.113 4.057 4.170 -0.000 0.000 0.248 1085 I C 1.772 177.717 176.117 -0.287 0.000 1.109 1085 I CA 0.940 62.134 61.300 -0.176 0.000 1.425 1085 I CB -0.612 37.271 38.000 -0.195 0.000 1.094 1085 I HN -0.064 nan 8.210 nan 0.000 0.425 1086 Y N 2.275 122.550 120.300 -0.042 0.000 2.337 1086 Y HA 0.127 4.677 4.550 -0.000 0.000 0.293 1086 Y C 2.833 178.648 175.900 -0.142 0.000 1.123 1086 Y CA 1.035 59.087 58.100 -0.081 0.000 1.201 1086 Y CB -0.712 37.683 38.460 -0.109 0.000 1.011 1086 Y HN 0.202 nan 8.280 nan 0.000 0.545 1087 G N -0.167 108.609 108.800 -0.040 0.000 2.476 1087 G HA2 -0.352 3.607 3.960 -0.000 0.000 0.218 1087 G HA3 -0.352 3.607 3.960 -0.000 0.000 0.218 1087 G C 1.504 176.325 174.900 -0.131 0.000 1.164 1087 G CA 1.260 46.306 45.100 -0.089 0.000 0.768 1087 G HN 0.262 nan 8.290 nan 0.000 0.560 1088 Q N 0.547 120.187 119.800 -0.266 0.000 2.050 1088 Q HA 0.099 4.438 4.340 -0.000 0.000 0.202 1088 Q C 2.796 178.731 176.000 -0.108 0.000 0.980 1088 Q CA 1.948 57.531 55.803 -0.366 0.000 0.840 1088 Q CB -0.710 27.451 28.738 -0.961 0.000 0.898 1088 Q HN 0.399 nan 8.270 nan 0.000 0.424 1089 A N -0.778 122.013 122.820 -0.048 0.000 1.877 1089 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 1089 A C 2.297 179.936 177.584 0.091 0.000 1.186 1089 A CA 1.622 53.697 52.037 0.064 0.000 0.620 1089 A CB -0.927 18.123 19.000 0.084 0.000 0.822 1089 A HN 0.259 nan 8.150 nan 0.000 0.443 1090 V N -1.363 118.597 119.914 0.077 0.000 2.332 1090 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 1090 V C 2.352 178.492 176.094 0.076 0.000 1.055 1090 V CA 2.250 64.590 62.300 0.068 0.000 1.038 1090 V CB -0.987 30.857 31.823 0.034 0.000 0.651 1090 V HN 0.723 nan 8.190 nan 0.000 0.450 1091 Y N 1.024 121.294 120.300 -0.049 0.000 2.207 1091 Y HA -0.223 4.327 4.550 -0.000 0.000 0.287 1091 Y C 2.594 178.485 175.900 -0.016 0.000 1.156 1091 Y CA 1.945 60.013 58.100 -0.053 0.000 1.182 1091 Y CB 0.014 38.382 38.460 -0.153 0.000 0.979 1091 Y HN 0.252 nan 8.280 nan 0.000 0.521 1092 E N 0.139 120.384 120.200 0.075 0.000 2.106 1092 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 1092 E C 2.411 179.006 176.600 -0.010 0.000 0.984 1092 E CA 1.047 57.465 56.400 0.031 0.000 0.806 1092 E CB -0.728 29.042 29.700 0.118 0.000 0.750 1092 E HN 0.563 nan 8.360 nan 0.000 0.458 1093 A N 0.710 123.541 122.820 0.019 0.000 1.933 1093 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 1093 A C 2.608 180.185 177.584 -0.012 0.000 1.175 1093 A CA 1.385 53.433 52.037 0.019 0.000 0.628 1093 A CB -0.874 18.148 19.000 0.036 0.000 0.814 1093 A HN 0.335 nan 8.150 nan 0.000 0.444 1094 C N -0.926 118.339 119.300 -0.058 0.000 2.432 1094 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 1094 C C 2.906 177.842 174.990 -0.090 0.000 1.249 1094 C CA 1.099 60.078 59.018 -0.065 0.000 1.725 1094 C CB -1.044 26.631 27.740 -0.108 0.000 2.028 1094 C HN 0.606 nan 8.230 nan 0.000 0.477 1095 Q N 0.662 120.341 119.800 -0.202 0.000 2.030 1095 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 1095 Q C 2.225 178.198 176.000 -0.044 0.000 0.986 1095 Q CA 2.263 57.971 55.803 -0.158 0.000 0.843 1095 Q CB -1.425 27.190 28.738 -0.204 0.000 0.904 1095 Q HN 0.653 nan 8.270 nan 0.000 0.420 1096 T N 1.807 116.349 114.554 -0.021 0.000 2.699 1096 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 1096 T C 2.062 176.784 174.700 0.036 0.000 1.036 1096 T CA 1.359 63.468 62.100 0.015 0.000 1.147 1096 T CB -0.315 68.568 68.868 0.025 0.000 0.862 1096 T HN 0.183 nan 8.240 nan 0.000 0.446 1097 I N 0.493 121.092 120.570 0.049 0.000 2.179 1097 I HA -0.139 4.031 4.170 -0.000 0.000 0.242 1097 I C 2.342 178.525 176.117 0.110 0.000 1.088 1097 I CA 1.150 62.503 61.300 0.089 0.000 1.357 1097 I CB -0.380 37.698 38.000 0.129 0.000 1.051 1097 I HN 0.196 nan 8.210 nan 0.000 0.409 1098 L N 0.334 121.620 121.223 0.105 0.000 2.013 1098 L HA -0.291 4.048 4.340 -0.000 0.000 0.212 1098 L C 2.629 179.535 176.870 0.060 0.000 1.073 1098 L CA 1.680 56.583 54.840 0.104 0.000 0.753 1098 L CB -0.759 41.343 42.059 0.072 0.000 0.890 1098 L HN 0.230 nan 8.230 nan 0.000 0.432 1099 K N -0.092 120.329 120.400 0.035 0.000 2.020 1099 K HA -0.222 4.097 4.320 -0.000 0.000 0.212 1099 K C 2.224 178.846 176.600 0.037 0.000 1.050 1099 K CA 1.637 57.937 56.287 0.022 0.000 0.929 1099 K CB -0.223 32.286 32.500 0.016 0.000 0.714 1099 K HN 0.290 nan 8.250 nan 0.000 0.443 1100 R N 0.570 121.108 120.500 0.062 0.000 2.115 1100 R HA -0.028 4.312 4.340 -0.000 0.000 0.230 1100 R C 2.247 178.655 176.300 0.180 0.000 1.111 1100 R CA 0.829 56.990 56.100 0.101 0.000 0.976 1100 R CB -0.129 30.224 30.300 0.089 0.000 0.870 1100 R HN 0.198 nan 8.270 nan 0.000 0.445 1101 L N 0.101 121.410 121.223 0.144 0.000 2.341 1101 L HA -0.058 4.282 4.340 -0.000 0.000 0.214 1101 L C 2.165 179.114 176.870 0.132 0.000 1.115 1101 L CA 0.440 55.397 54.840 0.195 0.000 0.820 1101 L CB -0.183 41.933 42.059 0.096 0.000 0.944 1101 L HN 0.102 nan 8.230 nan 0.000 0.452 1102 E N 1.225 121.433 120.200 0.013 0.000 2.086 1102 E HA -0.217 4.133 4.350 -0.000 0.000 0.200 1102 E C -0.661 175.821 176.600 -0.196 0.000 1.012 1102 E CA 1.940 58.280 56.400 -0.101 0.000 0.812 1102 E CB -1.060 28.592 29.700 -0.080 0.000 0.743 1102 E HN 0.261 nan 8.360 nan 0.000 0.453 1103 P HA -0.095 nan 4.420 nan 0.000 0.220 1103 P C 0.755 177.695 177.300 -0.601 0.000 1.148 1103 P CA 1.162 63.962 63.100 -0.500 0.000 0.803 1103 P CB -0.099 31.167 31.700 -0.724 0.000 0.782 1104 F N -0.438 119.424 119.950 -0.147 0.000 2.270 1104 F HA 0.093 4.620 4.527 -0.001 0.000 0.295 1104 F C 2.357 177.972 175.800 -0.308 0.000 1.087 1104 F CA 0.802 58.723 58.000 -0.131 0.000 1.365 1104 F CB -0.666 38.309 39.000 -0.040 0.000 1.056 1104 F HN -0.244 nan 8.300 nan 0.000 0.506 1105 K N 0.989 121.095 120.400 -0.491 0.000 2.063 1105 K HA -0.205 4.114 4.320 -0.000 0.000 0.208 1105 K C 1.961 178.309 176.600 -0.420 0.000 1.048 1105 K CA 1.541 57.256 56.287 -0.953 0.000 0.928 1105 K CB -0.059 31.855 32.500 -0.977 0.000 0.713 1105 K HN 0.136 nan 8.250 nan 0.000 0.442 1106 K N 0.189 120.422 120.400 -0.279 0.000 2.097 1106 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 1106 K C 1.979 178.515 176.600 -0.106 0.000 1.050 1106 K CA 1.349 57.533 56.287 -0.170 0.000 0.938 1106 K CB 0.045 32.450 32.500 -0.159 0.000 0.718 1106 K HN 0.049 nan 8.250 nan 0.000 0.442 1107 K N 0.225 120.565 120.400 -0.100 0.000 2.217 1107 K HA -0.057 4.262 4.320 -0.000 0.000 0.202 1107 K C 0.718 177.348 176.600 0.049 0.000 1.051 1107 K CA 0.686 56.958 56.287 -0.025 0.000 0.952 1107 K CB 0.158 32.654 32.500 -0.008 0.000 0.736 1107 K HN -0.036 nan 8.250 nan 0.000 0.453 1108 N N -0.209 118.544 118.700 0.088 0.000 2.703 1108 N HA 0.118 4.858 4.740 -0.000 0.000 0.283 1108 N C -2.399 173.272 175.510 0.267 0.000 1.851 1108 N CA -1.756 51.415 53.050 0.202 0.000 0.826 1108 N CB 0.883 39.563 38.487 0.322 0.000 1.239 1108 N HN -0.146 nan 8.380 nan 0.000 0.495 1109 P HA -0.019 nan 4.420 nan 0.000 0.221 1109 P C -0.099 177.354 177.300 0.255 0.000 1.145 1109 P CA 1.126 64.308 63.100 0.136 0.000 0.795 1109 P CB 0.507 32.243 31.700 0.060 0.000 0.775 1110 D N -0.668 119.867 120.400 0.226 0.000 2.424 1110 D HA 0.176 4.816 4.640 -0.000 0.000 0.220 1110 D C 1.329 177.739 176.300 0.184 0.000 1.150 1110 D CA 0.099 54.214 54.000 0.193 0.000 0.831 1110 D CB 0.210 41.079 40.800 0.115 0.000 0.981 1110 D HN 0.103 nan 8.370 nan 0.000 0.500 1111 G N 0.349 109.314 108.800 0.274 0.000 2.510 1111 G HA2 0.421 4.381 3.960 -0.000 0.000 0.280 1111 G HA3 0.421 4.381 3.960 -0.000 0.000 0.280 1111 G C 0.150 174.928 174.900 -0.204 0.000 1.386 1111 G CA -0.260 44.891 45.100 0.085 0.000 1.047 1111 G HN 0.172 nan 8.290 nan 0.000 0.527 1112 S N -1.903 113.480 115.700 -0.528 0.000 2.689 1112 S HA 0.263 4.733 4.470 -0.000 0.000 0.306 1112 S C 0.924 174.866 174.600 -1.098 0.000 1.104 1112 S CA -0.562 57.236 58.200 -0.670 0.000 0.973 1112 S CB 1.431 64.457 63.200 -0.289 0.000 1.121 1112 S HN 0.795 nan 8.310 nan 0.000 0.523 1113 W N 1.501 122.262 121.300 -0.899 0.000 2.302 1113 W HA -0.264 4.396 4.660 -0.000 0.000 0.320 1113 W C 1.183 177.501 176.519 -0.336 0.000 1.241 1113 W CA 2.577 59.590 57.345 -0.553 0.000 1.264 1113 W CB -0.540 28.795 29.460 -0.208 0.000 1.154 1113 W HN 0.879 nan 8.180 nan 0.000 0.483 1114 E N 0.660 120.726 120.200 -0.222 0.000 2.118 1114 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 1114 E C 1.613 178.061 176.600 -0.254 0.000 0.992 1114 E CA 2.043 58.312 56.400 -0.217 0.000 0.804 1114 E CB -0.699 28.950 29.700 -0.085 0.000 0.741 1114 E HN 0.258 nan 8.360 nan 0.000 0.458 1115 D N -0.699 119.517 120.400 -0.307 0.000 2.097 1115 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 1115 D C 1.668 177.913 176.300 -0.091 0.000 0.984 1115 D CA 0.827 54.711 54.000 -0.195 0.000 0.826 1115 D CB -0.273 40.416 40.800 -0.183 0.000 0.973 1115 D HN 0.303 nan 8.370 nan 0.000 0.460 1116 W N 1.183 122.393 121.300 -0.149 0.000 2.381 1116 W HA -0.035 4.625 4.660 -0.001 0.000 0.301 1116 W C 2.355 178.657 176.519 -0.362 0.000 1.205 1116 W CA 0.007 57.249 57.345 -0.173 0.000 1.285 1116 W CB -1.398 27.993 29.460 -0.116 0.000 1.133 1116 W HN -0.140 nan 8.180 nan 0.000 0.521 1117 V N 1.010 120.740 119.914 -0.306 0.000 2.287 1117 V HA -0.347 3.772 4.120 -0.000 0.000 0.248 1117 V C 2.315 178.273 176.094 -0.227 0.000 1.053 1117 V CA 2.501 64.576 62.300 -0.375 0.000 1.027 1117 V CB -0.922 30.595 31.823 -0.510 0.000 0.646 1117 V HN 0.078 nan 8.190 nan 0.000 0.447 1118 M N 0.409 119.911 119.600 -0.164 0.000 2.175 1118 M HA 0.000 4.480 4.480 -0.000 0.000 0.264 1118 M C 1.958 178.216 176.300 -0.070 0.000 1.063 1118 M CA 2.034 57.295 55.300 -0.065 0.000 1.119 1118 M CB -0.557 32.013 32.600 -0.050 0.000 1.377 1118 M HN 0.244 nan 8.290 nan 0.000 0.415 1119 A N -0.195 122.542 122.820 -0.139 0.000 1.898 1119 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 1119 A C 2.368 179.586 177.584 -0.609 0.000 1.181 1119 A CA 1.689 53.606 52.037 -0.199 0.000 0.620 1119 A CB -1.378 17.618 19.000 -0.007 0.000 0.819 1119 A HN 0.616 nan 8.150 nan 0.000 0.442 1120 A N -1.180 121.013 122.820 -1.046 0.000 1.908 1120 A HA -0.173 4.146 4.320 -0.000 0.000 0.218 1120 A C 2.150 179.480 177.584 -0.423 0.000 1.181 1120 A CA 1.833 53.165 52.037 -1.174 0.000 0.627 1120 A CB -0.850 17.647 19.000 -0.838 0.000 0.818 1120 A HN 0.804 nan 8.150 nan 0.000 0.445 1121 Y N 0.512 120.616 120.300 -0.326 0.000 2.163 1121 Y HA -0.189 4.361 4.550 -0.001 0.000 0.288 1121 Y C 2.374 178.197 175.900 -0.128 0.000 1.136 1121 Y CA 2.204 60.197 58.100 -0.179 0.000 1.147 1121 Y CB -0.442 37.937 38.460 -0.135 0.000 0.987 1121 Y HN 0.428 nan 8.280 nan 0.000 0.509 1122 Q N -0.793 118.831 119.800 -0.294 0.000 2.364 1122 Q HA -0.158 4.182 4.340 -0.000 0.000 0.207 1122 Q C 0.731 176.592 176.000 -0.232 0.000 0.970 1122 Q CA 1.373 56.994 55.803 -0.303 0.000 0.888 1122 Q CB -0.061 28.624 28.738 -0.089 0.000 0.951 1122 Q HN 0.472 nan 8.270 nan 0.000 0.469 1123 D N -0.174 120.113 120.400 -0.187 0.000 2.368 1123 D HA 0.073 4.713 4.640 -0.000 0.000 0.218 1123 D C -0.607 175.651 176.300 -0.070 0.000 1.112 1123 D CA -0.147 53.818 54.000 -0.059 0.000 0.834 1123 D CB 0.165 41.040 40.800 0.125 0.000 0.953 1123 D HN 0.001 nan 8.370 nan 0.000 0.505 1124 R N -0.667 119.724 120.500 -0.182 0.000 3.333 1124 R HA -0.125 4.214 4.340 -0.000 0.000 0.256 1124 R C -0.895 175.373 176.300 -0.054 0.000 1.010 1124 R CA 0.167 56.180 56.100 -0.145 0.000 0.680 1124 R CB -2.295 27.936 30.300 -0.115 0.000 1.102 1124 R HN 0.043 nan 8.270 nan 0.000 0.440 1125 V N 0.764 120.651 119.914 -0.045 0.000 2.394 1125 V HA 0.222 4.342 4.120 -0.000 0.000 0.282 1125 V C 0.900 176.993 176.094 -0.001 0.000 1.031 1125 V CA -0.418 61.889 62.300 0.010 0.000 0.881 1125 V CB 1.819 33.685 31.823 0.073 0.000 0.982 1125 V HN 0.372 nan 8.190 nan 0.000 0.451 1126 S N 4.758 120.468 115.700 0.018 0.000 2.549 1126 S HA 0.323 4.793 4.470 -0.000 0.000 0.283 1126 S C 0.202 174.817 174.600 0.025 0.000 1.320 1126 S CA -0.233 57.982 58.200 0.025 0.000 1.058 1126 S CB 0.159 63.375 63.200 0.028 0.000 0.882 1126 S HN 0.613 nan 8.310 nan 0.000 0.498 1127 L N 4.028 125.264 121.223 0.022 0.000 3.154 1127 L HA 0.363 4.703 4.340 -0.000 0.000 0.266 1127 L C 0.239 177.127 176.870 0.030 0.000 1.300 1127 L CA -0.204 54.643 54.840 0.011 0.000 1.028 1127 L CB 0.506 42.552 42.059 -0.020 0.000 1.412 1127 L HN 0.545 nan 8.230 nan 0.000 0.564 1128 S N -0.420 115.317 115.700 0.061 0.000 2.547 1128 S HA 0.735 5.205 4.470 -0.000 0.000 0.281 1128 S C -0.715 173.936 174.600 0.085 0.000 1.118 1128 S CA -0.288 57.990 58.200 0.129 0.000 0.947 1128 S CB 2.011 65.314 63.200 0.172 0.000 1.053 1128 S HN 0.130 nan 8.310 nan 0.000 0.482 1129 T N 2.068 116.659 114.554 0.063 0.000 2.957 1129 T HA 0.548 4.897 4.350 -0.000 0.000 0.336 1129 T C -0.102 174.619 174.700 0.036 0.000 1.462 1129 T CA -0.221 61.909 62.100 0.049 0.000 1.073 1129 T CB 1.193 70.088 68.868 0.045 0.000 1.319 1129 T HN 0.861 nan 8.240 nan 0.000 0.485 1130 T N 1.055 115.641 114.554 0.053 0.000 2.698 1130 T HA 0.741 5.091 4.350 -0.000 0.000 0.295 1130 T C 0.607 175.365 174.700 0.097 0.000 1.007 1130 T CA 0.050 62.196 62.100 0.076 0.000 0.980 1130 T CB 0.784 69.702 68.868 0.083 0.000 1.036 1130 T HN 1.204 nan 8.240 nan 0.000 0.526 1131 G N -0.481 108.411 108.800 0.154 0.000 2.702 1131 G HA2 0.528 4.488 3.960 -0.000 0.000 0.296 1131 G HA3 0.528 4.488 3.960 -0.000 0.000 0.296 1131 G C -2.150 172.930 174.900 0.299 0.000 1.463 1131 G CA -0.820 44.389 45.100 0.180 0.000 0.890 1131 G HN 0.728 nan 8.290 nan 0.000 0.534 1132 F N 1.048 121.059 119.950 0.101 0.000 2.641 1132 F HA 0.771 5.297 4.527 -0.000 0.000 0.308 1132 F C -1.649 174.256 175.800 0.175 0.000 1.105 1132 F CA -0.961 57.107 58.000 0.113 0.000 0.964 1132 F CB 2.399 41.441 39.000 0.071 0.000 1.294 1132 F HN 0.653 nan 8.300 nan 0.000 0.442 1133 Y N 4.561 124.556 120.300 -0.508 0.000 2.544 1133 Y HA 0.676 5.226 4.550 -0.001 0.000 0.342 1133 Y C -1.620 174.022 175.900 -0.429 0.000 1.062 1133 Y CA -1.131 56.789 58.100 -0.300 0.000 1.023 1133 Y CB 1.641 39.966 38.460 -0.225 0.000 1.308 1133 Y HN 0.684 nan 8.280 nan 0.000 0.457 1134 R N 3.523 123.438 120.500 -0.976 0.000 2.510 1134 R HA 0.374 4.714 4.340 -0.000 0.000 0.294 1134 R C -1.428 174.292 176.300 -0.966 0.000 1.056 1134 R CA -0.456 55.248 56.100 -0.660 0.000 0.918 1134 R CB 1.517 31.690 30.300 -0.211 0.000 1.187 1134 R HN 0.859 nan 8.270 nan 0.000 0.437 1135 T N 6.452 120.537 114.554 -0.780 0.000 2.888 1135 T HA 0.174 4.524 4.350 -0.000 0.000 0.301 1135 T C -2.103 172.383 174.700 -0.356 0.000 1.001 1135 T CA -0.607 61.118 62.100 -0.625 0.000 1.147 1135 T CB 0.804 69.415 68.868 -0.428 0.000 0.931 1135 T HN 0.425 nan 8.240 nan 0.000 0.541 1136 P HA 0.310 nan 4.420 nan 0.000 0.281 1136 P C -0.225 177.059 177.300 -0.026 0.000 1.249 1136 P CA -0.592 62.453 63.100 -0.093 0.000 0.810 1136 P CB 0.470 32.168 31.700 -0.004 0.000 1.008 1137 N N -0.632 118.065 118.700 -0.006 0.000 2.754 1137 N HA -0.143 4.597 4.740 -0.000 0.000 0.248 1137 N C -0.700 174.819 175.510 0.014 0.000 1.093 1137 N CA 0.790 53.852 53.050 0.021 0.000 0.699 1137 N CB -1.939 36.580 38.487 0.055 0.000 1.016 1137 N HN 0.476 nan 8.380 nan 0.000 0.552 1138 L N -0.275 120.937 121.223 -0.018 0.000 2.325 1138 L HA 0.713 5.052 4.340 -0.000 0.000 0.278 1138 L C 0.999 177.855 176.870 -0.024 0.000 1.023 1138 L CA -0.421 54.397 54.840 -0.036 0.000 0.811 1138 L CB 1.906 43.924 42.059 -0.069 0.000 1.249 1138 L HN 0.274 nan 8.230 nan 0.000 0.431 1139 G N 1.997 110.784 108.800 -0.022 0.000 3.250 1139 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.235 1139 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.235 1139 G C -1.418 173.496 174.900 0.023 0.000 3.899 1139 G CA -0.736 44.368 45.100 0.006 0.000 0.435 1139 G HN 0.411 nan 8.290 nan 0.000 0.310 1140 Y N 1.829 122.068 120.300 -0.103 0.000 2.309 1140 Y HA 0.693 5.243 4.550 -0.000 0.000 0.327 1140 Y C 0.343 176.213 175.900 -0.050 0.000 1.172 1140 Y CA -0.069 57.963 58.100 -0.113 0.000 1.280 1140 Y CB 1.753 40.076 38.460 -0.227 0.000 1.234 1140 Y HN 0.350 nan 8.280 nan 0.000 0.512 1141 S N 5.371 120.491 115.700 -0.968 0.000 2.454 1141 S HA 0.321 4.790 4.470 -0.000 0.000 0.306 1141 S C 0.287 174.288 174.600 -0.998 0.000 1.100 1141 S CA -0.680 57.114 58.200 -0.678 0.000 1.087 1141 S CB 0.181 63.193 63.200 -0.315 0.000 1.019 1141 S HN 0.733 nan 8.310 nan 0.000 0.480 1142 F N 2.325 122.064 119.950 -0.352 0.000 2.546 1142 F HA 0.114 4.640 4.527 -0.000 0.000 0.298 1142 F C 1.034 176.791 175.800 -0.072 0.000 1.120 1142 F CA 0.454 58.391 58.000 -0.105 0.000 1.456 1142 F CB 0.225 39.253 39.000 0.047 0.000 1.088 1142 F HN 0.501 nan 8.300 nan 0.000 0.572 1143 E N -1.504 118.707 120.200 0.019 0.000 2.235 1143 E HA 0.403 4.753 4.350 -0.000 0.000 0.265 1143 E C 1.033 177.593 176.600 -0.066 0.000 0.940 1143 E CA 0.328 56.732 56.400 0.006 0.000 0.819 1143 E CB 1.360 31.072 29.700 0.020 0.000 1.206 1143 E HN 0.038 nan 8.360 nan 0.000 0.409 1144 T N 0.481 115.013 114.554 -0.037 0.000 11.216 1144 T HA -0.404 3.946 4.350 -0.000 0.000 0.398 1144 T C 0.754 175.419 174.700 -0.057 0.000 1.598 1144 T CA 1.437 63.507 62.100 -0.050 0.000 2.576 1144 T CB -1.717 67.112 68.868 -0.065 0.000 2.740 1144 T HN 0.848 nan 8.240 nan 0.000 0.942 1145 N N 1.351 119.983 118.700 -0.114 0.000 2.714 1145 N HA -0.163 4.577 4.740 -0.000 0.000 0.253 1145 N C -0.227 175.294 175.510 0.018 0.000 1.024 1145 N CA 2.152 55.174 53.050 -0.047 0.000 0.726 1145 N CB -1.322 37.220 38.487 0.093 0.000 0.908 1145 N HN 1.900 nan 8.380 nan 0.000 0.542 1146 S N -1.761 113.850 115.700 -0.149 0.000 2.727 1146 S HA 0.861 5.331 4.470 -0.000 0.000 0.278 1146 S C 0.191 174.777 174.600 -0.025 0.000 1.186 1146 S CA 0.017 58.219 58.200 0.003 0.000 0.836 1146 S CB 1.379 64.573 63.200 -0.010 0.000 1.186 1146 S HN 1.560 nan 8.310 nan 0.000 0.499 1147 G N 1.136 109.963 108.800 0.045 0.000 2.764 1147 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.686 1147 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.686 1147 G C -0.981 173.991 174.900 0.121 0.000 1.258 1147 G CA -0.719 44.412 45.100 0.050 0.000 0.846 1147 G HN 0.938 nan 8.290 nan 0.000 0.596 1148 N N 0.397 119.133 118.700 0.059 0.000 2.454 1148 N HA 0.342 5.082 4.740 -0.000 0.000 0.260 1148 N C 1.227 176.668 175.510 -0.115 0.000 1.218 1148 N CA 0.624 53.683 53.050 0.015 0.000 0.904 1148 N CB 1.421 39.922 38.487 0.022 0.000 1.065 1148 N HN 1.109 nan 8.380 nan 0.000 0.462 1149 A N 2.429 125.022 122.820 -0.378 0.000 2.095 1149 A HA 0.239 4.559 4.320 -0.000 0.000 0.212 1149 A C 0.029 176.939 177.584 -1.123 0.000 1.162 1149 A CA 0.505 51.995 52.037 -0.913 0.000 0.753 1149 A CB 0.150 18.036 19.000 -1.856 0.000 0.840 1149 A HN 0.555 nan 8.150 nan 0.000 0.468 1150 F N -3.415 116.344 119.950 -0.318 0.000 2.603 1150 F HA 0.458 4.984 4.527 -0.000 0.000 0.317 1150 F C 1.008 176.679 175.800 -0.214 0.000 1.066 1150 F CA -0.799 56.962 58.000 -0.398 0.000 0.941 1150 F CB 1.211 39.744 39.000 -0.779 0.000 1.291 1150 F HN 0.107 nan 8.300 nan 0.000 0.472 1151 H N 0.561 119.562 119.070 -0.115 0.000 2.448 1151 H HA 0.117 4.672 4.556 -0.000 0.000 0.292 1151 H C -0.967 174.441 175.328 0.135 0.000 1.035 1151 H CA 1.294 57.348 56.048 0.010 0.000 1.349 1151 H CB 0.230 30.035 29.762 0.071 0.000 1.425 1151 H HN 0.521 nan 8.280 nan 0.000 0.539 1152 Y N -4.430 115.785 120.300 -0.142 0.000 2.891 1152 Y HA 0.388 4.937 4.550 -0.000 0.000 0.361 1152 Y C -2.017 173.675 175.900 -0.348 0.000 1.255 1152 Y CA -2.029 55.991 58.100 -0.133 0.000 1.103 1152 Y CB 0.349 38.744 38.460 -0.109 0.000 1.454 1152 Y HN -0.195 nan 8.280 nan 0.000 0.449 1153 F N 0.351 120.315 119.950 0.023 0.000 2.546 1153 F HA 0.739 5.266 4.527 -0.000 0.000 0.320 1153 F C -0.054 175.501 175.800 -0.409 0.000 1.076 1153 F CA -0.839 56.971 58.000 -0.315 0.000 0.928 1153 F CB 2.646 41.399 39.000 -0.412 0.000 1.189 1153 F HN 0.533 nan 8.300 nan 0.000 0.465 1154 T N 1.892 116.302 114.554 -0.240 0.000 2.824 1154 T HA 0.567 4.916 4.350 -0.000 0.000 0.280 1154 T C -1.303 173.231 174.700 -0.278 0.000 0.995 1154 T CA -0.461 61.544 62.100 -0.158 0.000 1.009 1154 T CB 0.601 69.482 68.868 0.021 0.000 0.955 1154 T HN 0.307 nan 8.240 nan 0.000 0.452 1155 Y N 0.182 120.569 120.300 0.144 0.000 2.536 1155 Y HA 0.751 5.300 4.550 -0.000 0.000 0.347 1155 Y C 0.658 176.604 175.900 0.077 0.000 1.000 1155 Y CA -0.859 57.295 58.100 0.091 0.000 1.051 1155 Y CB 2.597 41.048 38.460 -0.016 0.000 1.259 1155 Y HN 0.918 nan 8.280 nan 0.000 0.468 1156 G N -0.131 108.824 108.800 0.258 0.000 2.550 1156 G HA2 0.597 4.556 3.960 -0.000 0.000 0.293 1156 G HA3 0.597 4.556 3.960 -0.000 0.000 0.293 1156 G C -2.378 172.631 174.900 0.183 0.000 1.402 1156 G CA -0.772 44.436 45.100 0.179 0.000 0.784 1156 G HN 0.478 nan 8.290 nan 0.000 0.482 1157 V N -0.265 119.732 119.914 0.139 0.000 2.777 1157 V HA 0.803 4.923 4.120 -0.000 0.000 0.306 1157 V C -0.065 176.063 176.094 0.055 0.000 1.112 1157 V CA -0.247 62.132 62.300 0.131 0.000 0.917 1157 V CB 1.369 33.272 31.823 0.132 0.000 1.018 1157 V HN 1.671 nan 8.190 nan 0.000 0.426 1158 A N 2.809 125.662 122.820 0.055 0.000 2.401 1158 A HA 0.864 5.184 4.320 -0.000 0.000 0.310 1158 A C -0.883 176.691 177.584 -0.017 0.000 1.075 1158 A CA -0.524 51.526 52.037 0.022 0.000 0.746 1158 A CB 1.850 20.912 19.000 0.103 0.000 1.277 1158 A HN 1.137 nan 8.150 nan 0.000 0.425 1159 C N 1.467 120.743 119.300 -0.040 0.000 2.441 1159 C HA 0.872 5.332 4.460 -0.000 0.000 0.318 1159 C C -0.165 174.830 174.990 0.008 0.000 1.222 1159 C CA -0.043 58.950 59.018 -0.042 0.000 1.474 1159 C CB 0.391 28.076 27.740 -0.092 0.000 2.125 1159 C HN 0.885 nan 8.230 nan 0.000 0.479 1160 S N 3.246 118.971 115.700 0.042 0.000 2.569 1160 S HA 0.619 5.089 4.470 -0.000 0.000 0.280 1160 S C -1.483 173.134 174.600 0.029 0.000 1.111 1160 S CA -0.483 57.744 58.200 0.045 0.000 0.887 1160 S CB 1.808 65.067 63.200 0.098 0.000 1.095 1160 S HN 0.868 nan 8.310 nan 0.000 0.476 1161 E N 1.506 121.708 120.200 0.002 0.000 2.248 1161 E HA 0.658 5.008 4.350 -0.000 0.000 0.267 1161 E C -1.417 175.167 176.600 -0.027 0.000 0.877 1161 E CA -0.750 55.636 56.400 -0.024 0.000 0.759 1161 E CB 1.631 31.299 29.700 -0.052 0.000 1.182 1161 E HN 0.518 nan 8.360 nan 0.000 0.418 1162 V N 0.423 120.316 119.914 -0.034 0.000 3.102 1162 V HA 0.663 4.783 4.120 -0.000 0.000 0.312 1162 V C -0.899 175.161 176.094 -0.057 0.000 1.135 1162 V CA -0.874 61.419 62.300 -0.011 0.000 1.022 1162 V CB 1.872 33.712 31.823 0.028 0.000 1.056 1162 V HN 0.788 nan 8.190 nan 0.000 0.436 1163 E N 2.239 122.415 120.200 -0.040 0.000 2.199 1163 E HA 0.646 4.996 4.350 -0.000 0.000 0.265 1163 E C -0.935 175.684 176.600 0.032 0.000 0.882 1163 E CA -0.950 55.410 56.400 -0.068 0.000 0.759 1163 E CB 2.005 31.612 29.700 -0.155 0.000 1.148 1163 E HN 0.936 nan 8.360 nan 0.000 0.412 1164 I N 0.744 121.346 120.570 0.053 0.000 2.498 1164 I HA 0.495 4.665 4.170 -0.000 0.000 0.301 1164 I C -0.294 175.884 176.117 0.103 0.000 0.984 1164 I CA -0.827 60.526 61.300 0.089 0.000 1.204 1164 I CB 1.576 39.613 38.000 0.061 0.000 1.362 1164 I HN 0.354 nan 8.210 nan 0.000 0.471 1165 D N 4.949 125.405 120.400 0.092 0.000 2.396 1165 D HA 0.239 4.879 4.640 -0.000 0.000 0.225 1165 D C 0.587 176.942 176.300 0.091 0.000 1.121 1165 D CA -0.433 53.624 54.000 0.094 0.000 0.853 1165 D CB 1.370 42.203 40.800 0.055 0.000 1.043 1165 D HN 0.753 nan 8.370 nan 0.000 0.500 1166 C N 3.286 122.672 119.300 0.144 0.000 2.422 1166 C HA -0.026 4.434 4.460 -0.000 0.000 0.286 1166 C C 2.440 177.496 174.990 0.109 0.000 1.412 1166 C CA 0.140 59.251 59.018 0.156 0.000 1.786 1166 C CB -0.802 27.099 27.740 0.267 0.000 1.835 1166 C HN 0.657 nan 8.230 nan 0.000 0.533 1167 L N 0.486 121.740 121.223 0.051 0.000 2.554 1167 L HA 0.038 4.377 4.340 -0.000 0.000 0.225 1167 L C 2.373 179.170 176.870 -0.121 0.000 1.104 1167 L CA 1.372 56.149 54.840 -0.105 0.000 0.866 1167 L CB -0.170 41.744 42.059 -0.242 0.000 1.047 1167 L HN 0.531 nan 8.230 nan 0.000 0.468 1168 T N -6.377 108.144 114.554 -0.055 0.000 2.966 1168 T HA 0.293 4.642 4.350 -0.000 0.000 0.254 1168 T C 1.408 176.093 174.700 -0.025 0.000 0.961 1168 T CA 0.608 62.674 62.100 -0.056 0.000 0.915 1168 T CB 1.141 69.976 68.868 -0.054 0.000 1.186 1168 T HN 0.211 nan 8.240 nan 0.000 0.505 1169 G N 1.337 110.138 108.800 0.003 0.000 2.213 1169 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.236 1169 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.236 1169 G C -0.234 174.694 174.900 0.047 0.000 0.991 1169 G CA 0.040 45.151 45.100 0.018 0.000 0.629 1169 G HN 0.589 nan 8.290 nan 0.000 0.517 1170 D N 1.479 121.901 120.400 0.038 0.000 2.382 1170 D HA 0.439 5.078 4.640 -0.000 0.000 0.240 1170 D C 0.577 176.939 176.300 0.104 0.000 1.146 1170 D CA 0.883 54.910 54.000 0.045 0.000 0.897 1170 D CB 0.473 41.269 40.800 -0.007 0.000 1.197 1170 D HN 0.707 nan 8.370 nan 0.000 0.432 1171 H N -1.012 118.038 119.070 -0.033 0.000 3.008 1171 H HA 0.529 5.085 4.556 -0.000 0.000 0.354 1171 H C -1.325 173.978 175.328 -0.042 0.000 1.252 1171 H CA -0.911 55.115 56.048 -0.037 0.000 1.117 1171 H CB 1.414 31.148 29.762 -0.046 0.000 1.857 1171 H HN 0.155 nan 8.280 nan 0.000 0.547 1172 K N 1.142 121.496 120.400 -0.077 0.000 2.324 1172 K HA 0.291 4.611 4.320 -0.000 0.000 0.253 1172 K C -0.862 175.727 176.600 -0.018 0.000 0.932 1172 K CA -0.935 55.279 56.287 -0.121 0.000 0.799 1172 K CB 1.378 33.835 32.500 -0.072 0.000 1.154 1172 K HN 0.492 nan 8.250 nan 0.000 0.425 1173 N N 4.247 122.919 118.700 -0.047 0.000 2.469 1173 N HA 0.142 4.882 4.740 -0.000 0.000 0.239 1173 N C 0.601 176.086 175.510 -0.041 0.000 1.053 1173 N CA 0.029 53.074 53.050 -0.008 0.000 0.937 1173 N CB 0.783 39.258 38.487 -0.020 0.000 1.163 1173 N HN 0.476 nan 8.380 nan 0.000 0.509 1174 L N 0.993 122.191 121.223 -0.042 0.000 2.095 1174 L HA 0.136 4.476 4.340 -0.000 0.000 0.204 1174 L C 1.041 177.883 176.870 -0.046 0.000 1.080 1174 L CA 0.824 55.632 54.840 -0.053 0.000 0.759 1174 L CB 0.094 42.107 42.059 -0.077 0.000 0.914 1174 L HN 0.393 nan 8.230 nan 0.000 0.439 1175 R N -1.262 119.210 120.500 -0.046 0.000 2.664 1175 R HA 0.364 4.703 4.340 -0.000 0.000 0.260 1175 R C -1.715 174.558 176.300 -0.046 0.000 1.062 1175 R CA -0.329 55.746 56.100 -0.041 0.000 0.902 1175 R CB 1.941 32.222 30.300 -0.032 0.000 1.258 1175 R HN -0.233 nan 8.270 nan 0.000 0.465 1176 T N 2.239 116.757 114.554 -0.059 0.000 2.916 1176 T HA 0.368 4.718 4.350 -0.000 0.000 0.298 1176 T C -1.763 172.913 174.700 -0.040 0.000 1.031 1176 T CA -0.628 61.425 62.100 -0.078 0.000 0.993 1176 T CB 1.658 70.385 68.868 -0.235 0.000 1.045 1176 T HN 0.528 nan 8.240 nan 0.000 0.454 1177 D N 1.754 122.122 120.400 -0.052 0.000 2.505 1177 D HA 0.648 5.287 4.640 -0.000 0.000 0.249 1177 D C -0.711 175.546 176.300 -0.072 0.000 1.082 1177 D CA -0.316 53.654 54.000 -0.050 0.000 0.839 1177 D CB 1.627 42.394 40.800 -0.055 0.000 1.317 1177 D HN 0.345 nan 8.370 nan 0.000 0.497 1178 I N 1.808 122.336 120.570 -0.070 0.000 2.498 1178 I HA 0.381 4.550 4.170 -0.000 0.000 0.290 1178 I C -0.916 175.177 176.117 -0.041 0.000 1.032 1178 I CA -1.024 60.240 61.300 -0.059 0.000 1.073 1178 I CB 2.062 40.012 38.000 -0.083 0.000 1.251 1178 I HN 0.032 nan 8.210 nan 0.000 0.426 1179 V N 6.604 126.507 119.914 -0.020 0.000 2.384 1179 V HA 0.499 4.618 4.120 -0.000 0.000 0.287 1179 V C -0.251 175.861 176.094 0.029 0.000 1.020 1179 V CA -0.456 61.841 62.300 -0.005 0.000 0.850 1179 V CB 1.575 33.391 31.823 -0.012 0.000 0.987 1179 V HN 0.662 nan 8.190 nan 0.000 0.436 1180 M N 4.168 123.786 119.600 0.030 0.000 2.393 1180 M HA 0.538 5.018 4.480 -0.000 0.000 0.316 1180 M C -1.026 175.311 176.300 0.062 0.000 1.087 1180 M CA -0.411 54.923 55.300 0.058 0.000 0.937 1180 M CB 1.885 34.513 32.600 0.046 0.000 1.668 1180 M HN 0.693 nan 8.290 nan 0.000 0.438 1181 D N 3.316 123.775 120.400 0.099 0.000 2.412 1181 D HA 0.382 5.022 4.640 -0.000 0.000 0.224 1181 D C -0.176 176.185 176.300 0.101 0.000 1.093 1181 D CA -0.462 53.601 54.000 0.106 0.000 0.850 1181 D CB 0.916 41.813 40.800 0.161 0.000 1.046 1181 D HN 0.414 nan 8.370 nan 0.000 0.507 1182 V N 2.148 122.102 119.914 0.067 0.000 2.940 1182 V HA 0.614 4.734 4.120 -0.000 0.000 0.366 1182 V C 1.166 177.282 176.094 0.037 0.000 1.353 1182 V CA 0.214 62.548 62.300 0.058 0.000 1.232 1182 V CB -0.333 31.515 31.823 0.041 0.000 1.278 1182 V HN 0.701 nan 8.190 nan 0.000 0.546 1183 G N 1.811 110.632 108.800 0.035 0.000 2.582 1183 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.300 1183 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.300 1183 G C 0.140 175.042 174.900 0.003 0.000 1.300 1183 G CA 0.240 45.342 45.100 0.005 0.000 0.959 1183 G HN 1.123 nan 8.290 nan 0.000 0.548 1184 S N 0.259 115.955 115.700 -0.007 0.000 2.405 1184 S HA 0.486 4.956 4.470 -0.000 0.000 0.291 1184 S C 0.572 175.174 174.600 0.004 0.000 1.137 1184 S CA 0.541 58.740 58.200 -0.002 0.000 1.061 1184 S CB 1.224 64.423 63.200 -0.003 0.000 1.001 1184 S HN 1.165 nan 8.310 nan 0.000 0.507 1185 S N 3.083 118.786 115.700 0.004 0.000 2.552 1185 S HA 0.092 4.562 4.470 -0.000 0.000 0.289 1185 S C 1.246 175.850 174.600 0.006 0.000 1.304 1185 S CA -0.538 57.666 58.200 0.007 0.000 1.063 1185 S CB 0.002 63.204 63.200 0.003 0.000 0.848 1185 S HN 0.641 nan 8.310 nan 0.000 0.499 1186 L N 3.443 124.675 121.223 0.015 0.000 2.313 1186 L HA 0.172 4.512 4.340 -0.000 0.000 0.214 1186 L C 1.126 177.996 176.870 -0.000 0.000 1.119 1186 L CA 0.363 55.212 54.840 0.014 0.000 0.809 1186 L CB -0.276 41.803 42.059 0.034 0.000 0.933 1186 L HN 0.601 nan 8.230 nan 0.000 0.449 1187 N N -0.913 117.788 118.700 0.001 0.000 2.932 1187 N HA 0.130 4.870 4.740 -0.000 0.000 0.242 1187 N C -2.332 173.177 175.510 -0.001 0.000 1.351 1187 N CA -1.016 52.033 53.050 -0.002 0.000 0.785 1187 N CB 1.447 39.933 38.487 -0.001 0.000 1.501 1187 N HN -0.297 nan 8.380 nan 0.000 0.584 1188 P HA -0.112 nan 4.420 nan 0.000 0.216 1188 P C 1.052 178.346 177.300 -0.009 0.000 1.150 1188 P CA 1.392 64.487 63.100 -0.008 0.000 0.843 1188 P CB 0.371 32.063 31.700 -0.013 0.000 0.787 1189 A N -0.635 122.183 122.820 -0.005 0.000 1.897 1189 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 1189 A C 2.136 179.724 177.584 0.007 0.000 1.181 1189 A CA 1.200 53.236 52.037 -0.003 0.000 0.620 1189 A CB -1.287 17.716 19.000 0.005 0.000 0.821 1189 A HN 0.024 nan 8.150 nan 0.000 0.443 1190 I N 0.547 121.127 120.570 0.017 0.000 2.252 1190 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 1190 I C 1.712 177.842 176.117 0.022 0.000 1.102 1190 I CA 1.495 62.813 61.300 0.030 0.000 1.385 1190 I CB -1.419 36.598 38.000 0.029 0.000 1.064 1190 I HN 0.273 nan 8.210 nan 0.000 0.414 1191 D N 0.877 121.284 120.400 0.011 0.000 2.117 1191 D HA -0.085 4.555 4.640 -0.000 0.000 0.198 1191 D C 2.373 178.673 176.300 -0.001 0.000 0.982 1191 D CA 1.029 55.034 54.000 0.010 0.000 0.828 1191 D CB -0.047 40.758 40.800 0.009 0.000 0.967 1191 D HN 0.292 nan 8.370 nan 0.000 0.464 1192 I N 0.986 121.546 120.570 -0.018 0.000 2.286 1192 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 1192 I C 2.493 178.579 176.117 -0.051 0.000 1.115 1192 I CA 1.214 62.486 61.300 -0.047 0.000 1.392 1192 I CB -0.314 37.646 38.000 -0.067 0.000 1.065 1192 I HN 0.012 nan 8.210 nan 0.000 0.418 1193 G N -0.153 108.633 108.800 -0.024 0.000 2.442 1193 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 1193 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 1193 G C 1.586 176.502 174.900 0.026 0.000 1.141 1193 G CA 0.392 45.489 45.100 -0.004 0.000 0.763 1193 G HN 0.297 nan 8.290 nan 0.000 0.554 1194 Q N 0.002 119.823 119.800 0.034 0.000 2.172 1194 Q HA 0.020 4.359 4.340 -0.000 0.000 0.200 1194 Q C 2.948 178.985 176.000 0.062 0.000 0.964 1194 Q CA 0.659 56.496 55.803 0.057 0.000 0.855 1194 Q CB -0.362 28.405 28.738 0.048 0.000 0.918 1194 Q HN 0.427 nan 8.270 nan 0.000 0.444 1195 V N 1.245 121.181 119.914 0.038 0.000 2.358 1195 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 1195 V C 2.049 178.203 176.094 0.100 0.000 1.047 1195 V CA 1.796 64.128 62.300 0.053 0.000 1.035 1195 V CB -0.355 31.474 31.823 0.009 0.000 0.658 1195 V HN 0.358 nan 8.190 nan 0.000 0.452 1196 E N 0.087 120.307 120.200 0.033 0.000 2.072 1196 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 1196 E C 2.317 179.056 176.600 0.232 0.000 0.982 1196 E CA 1.114 57.561 56.400 0.077 0.000 0.803 1196 E CB -0.508 29.087 29.700 -0.174 0.000 0.755 1196 E HN 0.626 nan 8.360 nan 0.000 0.453 1197 G N 1.337 110.223 108.800 0.144 0.000 2.459 1197 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 1197 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 1197 G C 1.696 176.685 174.900 0.148 0.000 1.183 1197 G CA 1.080 46.266 45.100 0.142 0.000 0.776 1197 G HN 0.358 nan 8.290 nan 0.000 0.552 1198 A N 0.573 123.487 122.820 0.156 0.000 1.865 1198 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 1198 A C 2.236 179.906 177.584 0.143 0.000 1.191 1198 A CA 1.851 53.967 52.037 0.132 0.000 0.623 1198 A CB -0.768 18.299 19.000 0.112 0.000 0.826 1198 A HN 0.523 nan 8.150 nan 0.000 0.444 1199 F N 0.669 120.665 119.950 0.076 0.000 2.091 1199 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 1199 F C 2.173 178.004 175.800 0.053 0.000 1.103 1199 F CA 2.215 60.267 58.000 0.087 0.000 1.228 1199 F CB -0.322 38.771 39.000 0.155 0.000 0.984 1199 F HN 0.030 nan 8.300 nan 0.000 0.477 1200 V N 0.358 120.391 119.914 0.200 0.000 2.490 1200 V HA -0.302 3.818 4.120 -0.000 0.000 0.250 1200 V C 2.336 178.339 176.094 -0.152 0.000 1.061 1200 V CA 2.182 64.482 62.300 0.000 0.000 1.064 1200 V CB -0.666 31.248 31.823 0.153 0.000 0.670 1200 V HN 0.456 nan 8.190 nan 0.000 0.461 1201 Q N -0.422 119.309 119.800 -0.115 0.000 2.167 1201 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 1201 Q C 2.322 178.160 176.000 -0.270 0.000 0.970 1201 Q CA 1.504 57.205 55.803 -0.171 0.000 0.855 1201 Q CB -0.377 28.290 28.738 -0.117 0.000 0.911 1201 Q HN 0.732 nan 8.270 nan 0.000 0.438 1202 G N 1.179 109.809 108.800 -0.284 0.000 2.402 1202 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.216 1202 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.216 1202 G C 1.422 176.083 174.900 -0.398 0.000 1.162 1202 G CA 0.916 45.790 45.100 -0.377 0.000 0.777 1202 G HN 0.388 nan 8.290 nan 0.000 0.539 1203 L N 1.389 122.350 121.223 -0.436 0.000 2.127 1203 L HA 0.169 4.509 4.340 -0.000 0.000 0.211 1203 L C 2.454 179.183 176.870 -0.235 0.000 1.089 1203 L CA 2.338 56.980 54.840 -0.329 0.000 0.757 1203 L CB -1.211 40.584 42.059 -0.441 0.000 0.899 1203 L HN 0.085 nan 8.230 nan 0.000 0.434 1204 G N 0.154 108.789 108.800 -0.275 0.000 2.421 1204 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.216 1204 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.216 1204 G C 1.547 176.251 174.900 -0.326 0.000 1.171 1204 G CA 0.975 45.913 45.100 -0.271 0.000 0.775 1204 G HN 0.470 nan 8.290 nan 0.000 0.543 1205 L N -0.204 120.733 121.223 -0.476 0.000 2.012 1205 L HA 0.133 4.473 4.340 -0.000 0.000 0.210 1205 L C 2.308 178.819 176.870 -0.598 0.000 1.073 1205 L CA 1.635 56.085 54.840 -0.650 0.000 0.748 1205 L CB -0.605 40.846 42.059 -1.014 0.000 0.891 1205 L HN 0.274 nan 8.230 nan 0.000 0.431 1206 F N -1.505 118.286 119.950 -0.265 0.000 2.789 1206 F HA 0.051 4.578 4.527 -0.000 0.000 0.300 1206 F C 1.705 177.470 175.800 -0.059 0.000 1.132 1206 F CA 0.604 58.461 58.000 -0.239 0.000 1.404 1206 F CB -0.160 38.694 39.000 -0.243 0.000 1.114 1206 F HN 0.285 nan 8.300 nan 0.000 0.584 1207 T N -4.740 109.835 114.554 0.036 0.000 3.254 1207 T HA 0.139 4.489 4.350 -0.000 0.000 0.267 1207 T C 1.203 175.894 174.700 -0.015 0.000 0.946 1207 T CA 0.065 62.184 62.100 0.032 0.000 0.991 1207 T CB -0.180 68.707 68.868 0.032 0.000 1.205 1207 T HN -0.040 nan 8.240 nan 0.000 0.494 1208 L N 1.251 122.422 121.223 -0.088 0.000 2.286 1208 L HA 0.505 4.845 4.340 -0.000 0.000 0.203 1208 L C 0.654 177.392 176.870 -0.220 0.000 1.068 1208 L CA 0.927 55.685 54.840 -0.137 0.000 0.811 1208 L CB -0.425 41.529 42.059 -0.175 0.000 0.989 1208 L HN 0.351 nan 8.230 nan 0.000 0.467 1209 E N 0.607 120.638 120.200 -0.282 0.000 2.227 1209 E HA 0.320 4.670 4.350 -0.000 0.000 0.282 1209 E C -0.374 176.127 176.600 -0.166 0.000 1.015 1209 E CA -0.064 56.078 56.400 -0.431 0.000 0.823 1209 E CB 1.133 30.552 29.700 -0.468 0.000 1.081 1209 E HN 0.067 nan 8.360 nan 0.000 0.396 1210 E N 3.740 123.905 120.200 -0.059 0.000 2.291 1210 E HA 0.251 4.601 4.350 -0.000 0.000 0.276 1210 E C -1.484 175.290 176.600 0.291 0.000 0.896 1210 E CA -0.486 55.995 56.400 0.135 0.000 0.774 1210 E CB 1.162 30.898 29.700 0.061 0.000 1.227 1210 E HN 0.385 nan 8.360 nan 0.000 0.413 1211 L N 3.711 125.077 121.223 0.238 0.000 2.307 1211 L HA 0.475 4.814 4.340 -0.000 0.000 0.282 1211 L C -0.456 176.431 176.870 0.029 0.000 1.051 1211 L CA -0.739 54.146 54.840 0.075 0.000 0.804 1211 L CB 1.145 43.211 42.059 0.012 0.000 1.197 1211 L HN 0.549 nan 8.230 nan 0.000 0.431 1212 H N 2.375 121.288 119.070 -0.261 0.000 2.782 1212 H HA 0.486 5.041 4.556 -0.000 0.000 0.347 1212 H C -1.637 173.549 175.328 -0.237 0.000 1.038 1212 H CA -0.533 55.440 56.048 -0.125 0.000 1.255 1212 H CB 1.018 30.797 29.762 0.027 0.000 1.623 1212 H HN 0.300 nan 8.280 nan 0.000 0.525 1213 Y N 1.845 122.001 120.300 -0.241 0.000 2.496 1213 Y HA 0.380 4.929 4.550 -0.000 0.000 0.331 1213 Y C 0.896 176.638 175.900 -0.263 0.000 1.140 1213 Y CA -0.588 57.379 58.100 -0.223 0.000 1.166 1213 Y CB 1.520 39.921 38.460 -0.098 0.000 1.249 1213 Y HN 0.757 nan 8.280 nan 0.000 0.479 1214 S N 0.984 116.618 115.700 -0.110 0.000 2.608 1214 S HA 0.182 4.651 4.470 -0.000 0.000 0.261 1214 S C -1.941 172.679 174.600 0.033 0.000 1.314 1214 S CA -0.949 57.243 58.200 -0.012 0.000 0.992 1214 S CB 0.887 64.034 63.200 -0.088 0.000 0.935 1214 S HN 0.487 nan 8.310 nan 0.000 0.564 1215 P HA -0.008 nan 4.420 nan 0.000 0.219 1215 P C 0.422 177.728 177.300 0.009 0.000 1.146 1215 P CA 1.076 64.196 63.100 0.034 0.000 0.808 1215 P CB -0.108 31.615 31.700 0.038 0.000 0.779 1216 E N -1.322 118.878 120.200 -0.000 0.000 2.476 1216 E HA 0.283 4.633 4.350 -0.000 0.000 0.191 1216 E C 1.283 177.867 176.600 -0.026 0.000 1.064 1216 E CA 0.554 56.945 56.400 -0.015 0.000 0.866 1216 E CB -0.820 28.868 29.700 -0.021 0.000 0.952 1216 E HN 0.166 nan 8.360 nan 0.000 0.492 1217 G N 0.553 109.340 108.800 -0.022 0.000 2.132 1217 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.228 1217 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.228 1217 G C 0.237 175.146 174.900 0.015 0.000 1.000 1217 G CA 0.370 45.449 45.100 -0.034 0.000 0.693 1217 G HN 0.294 nan 8.290 nan 0.000 0.515 1218 S N -0.523 115.179 115.700 0.003 0.000 2.462 1218 S HA 0.695 5.165 4.470 -0.000 0.000 0.294 1218 S C 0.142 174.691 174.600 -0.085 0.000 1.144 1218 S CA -0.676 57.504 58.200 -0.034 0.000 1.088 1218 S CB 1.146 64.277 63.200 -0.115 0.000 1.009 1218 S HN 1.144 nan 8.310 nan 0.000 0.484 1219 L N 5.824 127.035 121.223 -0.021 0.000 2.331 1219 L HA 0.416 4.756 4.340 -0.000 0.000 0.278 1219 L C 0.923 177.658 176.870 -0.225 0.000 1.106 1219 L CA 0.492 55.239 54.840 -0.154 0.000 0.824 1219 L CB 0.496 42.517 42.059 -0.062 0.000 1.142 1219 L HN 0.826 nan 8.230 nan 0.000 0.443 1220 H N 1.691 120.662 119.070 -0.165 0.000 2.516 1220 H HA 0.130 4.685 4.556 -0.000 0.000 0.284 1220 H C 0.063 175.379 175.328 -0.021 0.000 0.999 1220 H CA 0.991 56.999 56.048 -0.066 0.000 1.303 1220 H CB 0.234 29.970 29.762 -0.044 0.000 1.452 1220 H HN 0.669 nan 8.280 nan 0.000 0.530 1221 T N 0.180 114.773 114.554 0.065 0.000 2.794 1221 T HA 0.426 4.776 4.350 -0.000 0.000 0.304 1221 T C 0.785 175.506 174.700 0.035 0.000 0.973 1221 T CA -0.591 61.559 62.100 0.083 0.000 0.972 1221 T CB 0.829 69.769 68.868 0.121 0.000 0.952 1221 T HN 0.211 nan 8.240 nan 0.000 0.509 1222 R N 1.759 122.309 120.500 0.082 0.000 2.549 1222 R HA 0.402 4.741 4.340 -0.000 0.000 0.399 1222 R C 0.613 176.984 176.300 0.119 0.000 0.964 1222 R CA -0.509 55.633 56.100 0.070 0.000 1.173 1222 R CB 1.385 31.719 30.300 0.057 0.000 1.535 1222 R HN 0.796 nan 8.270 nan 0.000 0.551 1223 G N 0.412 109.322 108.800 0.184 0.000 2.608 1223 G HA2 0.232 4.192 3.960 -0.000 0.000 0.291 1223 G HA3 0.232 4.192 3.960 -0.000 0.000 0.291 1223 G C -2.550 172.535 174.900 0.308 0.000 1.425 1223 G CA -0.779 44.464 45.100 0.238 0.000 0.787 1223 G HN -0.312 nan 8.290 nan 0.000 0.484 1224 P HA -0.064 nan 4.420 nan 0.000 0.225 1224 P C 1.577 178.925 177.300 0.081 0.000 1.148 1224 P CA 1.710 64.911 63.100 0.168 0.000 0.779 1224 P CB 0.217 32.025 31.700 0.179 0.000 0.780 1225 S N -1.602 114.157 115.700 0.097 0.000 2.558 1225 S HA 0.019 4.489 4.470 -0.000 0.000 0.217 1225 S C 1.457 176.091 174.600 0.057 0.000 0.975 1225 S CA 0.931 59.165 58.200 0.057 0.000 0.912 1225 S CB -1.167 62.066 63.200 0.054 0.000 0.776 1225 S HN 0.283 nan 8.310 nan 0.000 0.526 1226 T N -3.227 111.385 114.554 0.097 0.000 2.975 1226 T HA 0.301 4.651 4.350 -0.000 0.000 0.261 1226 T C -0.325 174.462 174.700 0.145 0.000 0.984 1226 T CA -0.342 61.818 62.100 0.100 0.000 0.911 1226 T CB -0.290 68.649 68.868 0.119 0.000 1.127 1226 T HN 0.347 nan 8.240 nan 0.000 0.514 1227 Y N 2.407 122.706 120.300 -0.002 0.000 2.326 1227 Y HA 0.590 5.140 4.550 -0.000 0.000 0.331 1227 Y C -1.288 174.534 175.900 -0.129 0.000 0.962 1227 Y CA -1.471 56.605 58.100 -0.039 0.000 1.167 1227 Y CB 1.187 39.657 38.460 0.017 0.000 1.148 1227 Y HN -0.208 nan 8.280 nan 0.000 0.463 1228 K N 8.424 128.515 120.400 -0.515 0.000 2.334 1228 K HA 0.357 4.676 4.320 -0.000 0.000 0.265 1228 K C -0.516 175.755 176.600 -0.548 0.000 1.039 1228 K CA -0.432 55.610 56.287 -0.408 0.000 0.920 1228 K CB 0.713 33.056 32.500 -0.261 0.000 1.160 1228 K HN 0.824 nan 8.250 nan 0.000 0.451 1229 I N -0.541 119.726 120.570 -0.505 0.000 2.677 1229 I HA 0.504 4.674 4.170 -0.000 0.000 0.305 1229 I C -2.106 173.842 176.117 -0.281 0.000 0.988 1229 I CA -2.576 58.470 61.300 -0.425 0.000 1.260 1229 I CB 0.597 38.336 38.000 -0.436 0.000 1.410 1229 I HN 0.195 nan 8.210 nan 0.000 0.523 1230 P HA 0.145 nan 4.420 nan 0.000 0.265 1230 P C -0.775 176.444 177.300 -0.135 0.000 1.187 1230 P CA 0.109 63.112 63.100 -0.162 0.000 0.766 1230 P CB 0.571 32.185 31.700 -0.143 0.000 0.820 1231 A N 1.755 124.519 122.820 -0.094 0.000 2.344 1231 A HA 0.512 4.832 4.320 -0.000 0.000 0.307 1231 A C 0.726 178.302 177.584 -0.013 0.000 1.151 1231 A CA -0.580 51.436 52.037 -0.035 0.000 0.842 1231 A CB 0.006 19.013 19.000 0.012 0.000 1.350 1231 A HN 0.426 nan 8.150 nan 0.000 0.459 1232 F N 0.551 120.493 119.950 -0.013 0.000 2.085 1232 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 1232 F C 2.446 178.243 175.800 -0.004 0.000 1.096 1232 F CA 2.706 60.708 58.000 0.003 0.000 1.227 1232 F CB -0.167 38.836 39.000 0.005 0.000 0.983 1232 F HN 0.632 nan 8.300 nan 0.000 0.482 1233 G N -2.061 106.840 108.800 0.169 0.000 3.088 1233 G HA2 -0.002 3.957 3.960 -0.000 0.000 0.212 1233 G HA3 -0.002 3.957 3.960 -0.000 0.000 0.212 1233 G C 1.378 176.277 174.900 -0.002 0.000 1.173 1233 G CA 0.532 45.674 45.100 0.070 0.000 0.779 1233 G HN 0.303 nan 8.290 nan 0.000 0.540 1234 S N 0.137 115.824 115.700 -0.022 0.000 2.470 1234 S HA 0.117 4.587 4.470 -0.000 0.000 0.225 1234 S C 1.179 175.736 174.600 -0.072 0.000 1.006 1234 S CA -0.107 58.050 58.200 -0.072 0.000 0.934 1234 S CB -0.107 63.041 63.200 -0.087 0.000 0.778 1234 S HN 0.631 nan 8.310 nan 0.000 0.517 1235 I N 0.045 120.587 120.570 -0.046 0.000 2.764 1235 I HA 0.434 4.603 4.170 -0.000 0.000 0.294 1235 I C -2.976 173.081 176.117 -0.100 0.000 1.045 1235 I CA -2.703 58.552 61.300 -0.075 0.000 1.340 1235 I CB -0.065 37.937 38.000 0.002 0.000 1.436 1235 I HN -0.231 nan 8.210 nan 0.000 0.567 1236 P HA 0.129 nan 4.420 nan 0.000 0.271 1236 P C 0.417 177.676 177.300 -0.070 0.000 1.226 1236 P CA -0.124 62.877 63.100 -0.165 0.000 0.765 1236 P CB 0.806 32.333 31.700 -0.289 0.000 0.835 1237 T N 0.917 115.453 114.554 -0.031 0.000 2.721 1237 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 1237 T C 0.657 175.377 174.700 0.033 0.000 1.038 1237 T CA 1.500 63.604 62.100 0.006 0.000 1.145 1237 T CB -0.219 68.645 68.868 -0.007 0.000 0.858 1237 T HN 0.441 nan 8.240 nan 0.000 0.459 1238 E N 0.286 120.501 120.200 0.024 0.000 2.141 1238 E HA 0.341 4.691 4.350 -0.000 0.000 0.259 1238 E C -1.649 175.013 176.600 0.104 0.000 0.883 1238 E CA -0.285 56.146 56.400 0.052 0.000 0.744 1238 E CB 1.000 30.711 29.700 0.018 0.000 1.150 1238 E HN 0.400 nan 8.360 nan 0.000 0.420 1239 F N 4.112 124.033 119.950 -0.047 0.000 2.434 1239 F HA 0.423 4.950 4.527 -0.000 0.000 0.355 1239 F C -0.231 175.512 175.800 -0.094 0.000 1.115 1239 F CA -0.822 57.129 58.000 -0.082 0.000 1.010 1239 F CB 0.755 39.717 39.000 -0.063 0.000 1.234 1239 F HN 0.149 nan 8.300 nan 0.000 0.439 1240 R N 5.412 126.016 120.500 0.173 0.000 2.476 1240 R HA 0.610 4.950 4.340 -0.000 0.000 0.305 1240 R C -1.643 174.617 176.300 -0.067 0.000 0.965 1240 R CA -0.940 55.154 56.100 -0.010 0.000 0.867 1240 R CB 2.792 33.089 30.300 -0.005 0.000 1.176 1240 R HN 0.329 nan 8.270 nan 0.000 0.447 1241 V N 1.933 121.771 119.914 -0.128 0.000 2.588 1241 V HA 0.410 4.530 4.120 -0.000 0.000 0.304 1241 V C -0.385 175.659 176.094 -0.084 0.000 1.042 1241 V CA -0.608 61.618 62.300 -0.124 0.000 0.877 1241 V CB 2.159 33.866 31.823 -0.194 0.000 0.996 1241 V HN 0.749 nan 8.190 nan 0.000 0.425 1242 S N 4.725 120.391 115.700 -0.058 0.000 2.536 1242 S HA 0.732 5.201 4.470 -0.000 0.000 0.298 1242 S C -0.617 173.967 174.600 -0.027 0.000 1.083 1242 S CA -0.611 57.565 58.200 -0.041 0.000 0.995 1242 S CB 1.608 64.788 63.200 -0.033 0.000 1.058 1242 S HN 0.521 nan 8.310 nan 0.000 0.488 1243 L N 2.638 123.849 121.223 -0.020 0.000 2.312 1243 L HA 0.463 4.802 4.340 -0.000 0.000 0.281 1243 L C -0.159 176.710 176.870 -0.001 0.000 1.070 1243 L CA -0.876 53.961 54.840 -0.005 0.000 0.805 1243 L CB 0.634 42.690 42.059 -0.005 0.000 1.174 1243 L HN 0.473 nan 8.230 nan 0.000 0.434 1244 L N 3.703 124.932 121.223 0.010 0.000 2.456 1244 L HA 0.190 4.530 4.340 -0.000 0.000 0.272 1244 L C 0.237 177.112 176.870 0.007 0.000 1.189 1244 L CA 0.531 55.377 54.840 0.010 0.000 0.846 1244 L CB 0.316 42.388 42.059 0.020 0.000 1.111 1244 L HN 0.510 nan 8.230 nan 0.000 0.475 1245 R N 3.014 123.515 120.500 0.003 0.000 2.643 1245 R HA 0.334 4.673 4.340 -0.000 0.000 0.272 1245 R C -0.680 175.622 176.300 0.003 0.000 0.995 1245 R CA -0.777 55.324 56.100 0.001 0.000 1.032 1245 R CB 0.641 30.939 30.300 -0.003 0.000 1.126 1245 R HN 0.724 nan 8.270 nan 0.000 0.505 1246 D N 0.669 121.069 120.400 0.001 0.000 2.812 1246 D HA -0.139 4.501 4.640 -0.000 0.000 0.237 1246 D C -0.438 175.864 176.300 0.003 0.000 1.162 1246 D CA 0.947 54.947 54.000 0.001 0.000 0.740 1246 D CB -1.054 39.747 40.800 0.001 0.000 1.000 1246 D HN 0.740 nan 8.370 nan 0.000 0.416 1247 C N -1.245 118.057 119.300 0.004 0.000 3.421 1247 C HA 0.362 4.822 4.460 -0.000 0.000 0.194 1247 C C -2.305 172.685 174.990 -0.000 0.000 1.418 1247 C CA -1.720 57.302 59.018 0.007 0.000 1.226 1247 C CB 0.459 28.209 27.740 0.017 0.000 1.875 1247 C HN 0.116 nan 8.230 nan 0.000 0.561 1248 P HA 0.089 nan 4.420 nan 0.000 0.265 1248 P C -0.426 176.846 177.300 -0.047 0.000 1.193 1248 P CA 0.693 63.778 63.100 -0.025 0.000 0.765 1248 P CB 0.737 32.425 31.700 -0.019 0.000 0.823 1249 N N 2.570 121.216 118.700 -0.089 0.000 2.437 1249 N HA 0.053 4.793 4.740 -0.000 0.000 0.243 1249 N C 0.969 176.380 175.510 -0.165 0.000 1.041 1249 N CA -0.192 52.758 53.050 -0.167 0.000 0.940 1249 N CB 0.308 38.610 38.487 -0.307 0.000 1.133 1249 N HN 0.163 nan 8.380 nan 0.000 0.506 1250 K N 1.837 122.162 120.400 -0.125 0.000 2.218 1250 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 1250 K C 0.591 177.116 176.600 -0.125 0.000 1.046 1250 K CA 1.095 57.322 56.287 -0.100 0.000 0.933 1250 K CB 0.211 32.670 32.500 -0.067 0.000 0.728 1250 K HN 0.533 nan 8.250 nan 0.000 0.454 1251 K N -0.655 119.618 120.400 -0.211 0.000 2.374 1251 K HA 0.167 4.486 4.320 -0.000 0.000 0.196 1251 K C 0.298 176.851 176.600 -0.078 0.000 1.023 1251 K CA 0.106 56.281 56.287 -0.187 0.000 1.103 1251 K CB 1.131 33.367 32.500 -0.440 0.000 0.848 1251 K HN 0.032 nan 8.250 nan 0.000 0.528 1252 A N 0.970 123.683 122.820 -0.179 0.000 2.569 1252 A HA 0.459 4.779 4.320 -0.000 0.000 0.290 1252 A C -0.944 176.523 177.584 -0.195 0.000 1.136 1252 A CA -0.854 51.103 52.037 -0.134 0.000 0.710 1252 A CB 0.845 19.780 19.000 -0.109 0.000 1.303 1252 A HN 0.105 nan 8.150 nan 0.000 0.413 1253 I N 0.739 121.168 120.570 -0.235 0.000 2.826 1253 I HA 0.088 4.257 4.170 -0.000 0.000 0.295 1253 I C 0.310 176.293 176.117 -0.224 0.000 1.213 1253 I CA 1.136 62.215 61.300 -0.368 0.000 1.436 1253 I CB -1.070 36.712 38.000 -0.362 0.000 1.348 1253 I HN 0.635 nan 8.210 nan 0.000 0.570 1254 Y N 6.041 126.232 120.300 -0.181 0.000 3.515 1254 Y HA -0.294 4.256 4.550 -0.000 0.000 0.214 1254 Y C 1.467 177.306 175.900 -0.102 0.000 1.166 1254 Y CA 0.563 58.586 58.100 -0.128 0.000 1.435 1254 Y CB -1.725 36.677 38.460 -0.095 0.000 1.414 1254 Y HN 0.996 nan 8.280 nan 0.000 0.608 1255 A N -1.485 121.327 122.820 -0.014 0.000 3.021 1255 A HA -0.279 4.040 4.320 -0.000 0.000 0.257 1255 A C 1.119 178.668 177.584 -0.059 0.000 1.277 1255 A CA 1.053 53.060 52.037 -0.051 0.000 1.012 1255 A CB -2.026 16.962 19.000 -0.021 0.000 1.147 1255 A HN 1.287 nan 8.150 nan 0.000 0.861 1256 S N -0.854 114.822 115.700 -0.041 0.000 2.640 1256 S HA 0.719 5.188 4.470 -0.000 0.000 0.262 1256 S C 0.028 174.588 174.600 -0.067 0.000 1.232 1256 S CA 0.355 58.537 58.200 -0.029 0.000 0.988 1256 S CB 1.158 64.363 63.200 0.008 0.000 1.034 1256 S HN 0.645 nan 8.310 nan 0.000 0.569 1257 K N -0.666 119.735 120.400 0.002 0.000 2.508 1257 K HA 0.618 4.938 4.320 -0.000 0.000 0.260 1257 K C -0.955 175.729 176.600 0.140 0.000 0.949 1257 K CA -0.781 55.558 56.287 0.086 0.000 0.834 1257 K CB 2.173 34.737 32.500 0.107 0.000 1.365 1257 K HN 0.862 nan 8.250 nan 0.000 0.437 1258 A N 1.332 124.288 122.820 0.227 0.000 2.511 1258 A HA 0.115 4.434 4.320 -0.000 0.000 0.242 1258 A C 0.606 178.218 177.584 0.047 0.000 1.069 1258 A CA 0.046 52.144 52.037 0.102 0.000 0.763 1258 A CB 0.491 19.521 19.000 0.051 0.000 1.001 1258 A HN 0.536 nan 8.150 nan 0.000 0.498 1259 V N 3.085 123.006 119.914 0.012 0.000 3.484 1259 V HA 0.198 4.318 4.120 -0.000 0.000 0.252 1259 V C 1.943 178.012 176.094 -0.041 0.000 1.282 1259 V CA 1.760 64.057 62.300 -0.006 0.000 1.104 1259 V CB -0.408 31.425 31.823 0.016 0.000 0.868 1259 V HN 1.090 nan 8.190 nan 0.000 0.457 1260 G N 0.414 109.190 108.800 -0.040 0.000 2.553 1260 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 1260 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 1260 G C 1.270 176.125 174.900 -0.075 0.000 1.195 1260 G CA 1.620 46.703 45.100 -0.029 0.000 0.779 1260 G HN 0.621 nan 8.290 nan 0.000 0.577 1261 E N 0.375 120.436 120.200 -0.232 0.000 2.201 1261 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 1261 E C -0.153 176.050 176.600 -0.662 0.000 0.957 1261 E CA 0.053 56.204 56.400 -0.414 0.000 0.858 1261 E CB -0.094 29.273 29.700 -0.556 0.000 0.816 1261 E HN 0.293 nan 8.360 nan 0.000 0.475 1262 P HA -0.169 nan 4.420 nan 0.000 0.218 1262 P C -1.686 175.544 177.300 -0.116 0.000 1.152 1262 P CA 1.860 64.652 63.100 -0.514 0.000 0.857 1262 P CB -0.773 30.793 31.700 -0.223 0.000 0.787 1263 P HA -0.049 nan 4.420 nan 0.000 0.222 1263 P C 1.639 179.033 177.300 0.157 0.000 1.153 1263 P CA 0.619 63.779 63.100 0.100 0.000 0.798 1263 P CB -0.410 31.355 31.700 0.108 0.000 0.796 1264 L N -1.150 120.126 121.223 0.090 0.000 2.051 1264 L HA -0.227 4.112 4.340 -0.000 0.000 0.214 1264 L C 2.218 179.196 176.870 0.180 0.000 1.076 1264 L CA 1.763 56.662 54.840 0.098 0.000 0.758 1264 L CB -0.756 41.328 42.059 0.041 0.000 0.890 1264 L HN -0.105 nan 8.230 nan 0.000 0.433 1265 F N -0.081 119.948 119.950 0.131 0.000 2.333 1265 F HA -0.189 4.338 4.527 -0.000 0.000 0.300 1265 F C 1.892 177.849 175.800 0.262 0.000 1.083 1265 F CA 1.299 59.442 58.000 0.239 0.000 1.395 1265 F CB -0.246 38.886 39.000 0.220 0.000 1.056 1265 F HN 0.021 nan 8.300 nan 0.000 0.529 1266 L N -0.294 120.992 121.223 0.106 0.000 2.265 1266 L HA -0.121 4.219 4.340 -0.000 0.000 0.215 1266 L C 2.713 179.632 176.870 0.081 0.000 1.117 1266 L CA 0.945 55.834 54.840 0.082 0.000 0.782 1266 L CB -1.563 40.664 42.059 0.281 0.000 0.914 1266 L HN 0.305 nan 8.230 nan 0.000 0.441 1267 G N 0.121 108.869 108.800 -0.087 0.000 2.499 1267 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.221 1267 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.221 1267 G C 1.722 176.562 174.900 -0.101 0.000 1.109 1267 G CA 0.813 45.658 45.100 -0.425 0.000 0.749 1267 G HN 0.494 nan 8.290 nan 0.000 0.568 1268 A N 1.215 123.901 122.820 -0.223 0.000 2.070 1268 A HA 0.001 4.321 4.320 -0.000 0.000 0.220 1268 A C 2.682 180.242 177.584 -0.040 0.000 1.159 1268 A CA 2.168 53.914 52.037 -0.486 0.000 0.656 1268 A CB -0.558 17.844 19.000 -0.997 0.000 0.800 1268 A HN 0.749 nan 8.150 nan 0.000 0.453 1269 S N -0.308 115.397 115.700 0.008 0.000 2.399 1269 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 1269 S C 1.683 176.360 174.600 0.128 0.000 1.022 1269 S CA 1.409 59.687 58.200 0.129 0.000 0.983 1269 S CB -0.897 62.376 63.200 0.122 0.000 0.803 1269 S HN 0.277 nan 8.310 nan 0.000 0.480 1270 V N 1.101 121.064 119.914 0.083 0.000 2.427 1270 V HA -0.082 4.038 4.120 -0.000 0.000 0.248 1270 V C 2.086 178.169 176.094 -0.018 0.000 1.051 1270 V CA 1.958 64.280 62.300 0.036 0.000 1.048 1270 V CB -1.106 30.726 31.823 0.015 0.000 0.666 1270 V HN 0.572 nan 8.190 nan 0.000 0.456 1271 F N 0.543 120.383 119.950 -0.182 0.000 2.102 1271 F HA -0.196 4.331 4.527 -0.000 0.000 0.298 1271 F C 1.986 177.564 175.800 -0.370 0.000 1.105 1271 F CA 1.841 59.646 58.000 -0.325 0.000 1.239 1271 F CB -0.271 38.428 39.000 -0.501 0.000 0.991 1271 F HN 0.143 nan 8.300 nan 0.000 0.474 1272 F N -0.053 119.974 119.950 0.128 0.000 2.456 1272 F HA 0.078 4.605 4.527 -0.000 0.000 0.298 1272 F C 2.386 178.159 175.800 -0.044 0.000 1.104 1272 F CA 0.612 58.634 58.000 0.036 0.000 1.435 1272 F CB -0.866 38.172 39.000 0.063 0.000 1.078 1272 F HN 0.063 nan 8.300 nan 0.000 0.546 1273 A N 0.493 123.362 122.820 0.082 0.000 1.897 1273 A HA -0.095 4.224 4.320 -0.000 0.000 0.215 1273 A C 2.164 179.713 177.584 -0.058 0.000 1.181 1273 A CA 1.248 53.300 52.037 0.025 0.000 0.620 1273 A CB -0.911 18.101 19.000 0.020 0.000 0.821 1273 A HN 0.349 nan 8.150 nan 0.000 0.443 1274 I N -0.437 120.029 120.570 -0.173 0.000 2.163 1274 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 1274 I C 2.555 178.555 176.117 -0.194 0.000 1.085 1274 I CA 1.825 62.977 61.300 -0.246 0.000 1.347 1274 I CB -0.196 37.547 38.000 -0.428 0.000 1.044 1274 I HN 0.329 nan 8.210 nan 0.000 0.408 1275 K N 0.638 120.882 120.400 -0.259 0.000 2.032 1275 K HA -0.290 4.029 4.320 -0.000 0.000 0.209 1275 K C 1.790 178.439 176.600 0.081 0.000 1.048 1275 K CA 2.302 58.537 56.287 -0.086 0.000 0.927 1275 K CB -0.194 32.226 32.500 -0.134 0.000 0.712 1275 K HN 0.223 nan 8.250 nan 0.000 0.441 1276 D N -0.423 120.015 120.400 0.062 0.000 2.123 1276 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 1276 D C 1.594 177.937 176.300 0.070 0.000 0.992 1276 D CA 1.506 55.557 54.000 0.084 0.000 0.833 1276 D CB 0.027 40.870 40.800 0.072 0.000 0.954 1276 D HN 0.338 nan 8.370 nan 0.000 0.455 1277 A N -0.262 122.579 122.820 0.035 0.000 1.968 1277 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 1277 A C 2.272 179.882 177.584 0.043 0.000 1.169 1277 A CA 0.741 52.798 52.037 0.033 0.000 0.638 1277 A CB -0.622 18.382 19.000 0.007 0.000 0.812 1277 A HN 0.343 nan 8.150 nan 0.000 0.446 1278 I N -0.743 119.854 120.570 0.046 0.000 2.286 1278 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 1278 I C 2.719 178.855 176.117 0.031 0.000 1.115 1278 I CA 1.227 62.544 61.300 0.028 0.000 1.392 1278 I CB -0.317 37.707 38.000 0.040 0.000 1.065 1278 I HN 0.271 nan 8.210 nan 0.000 0.418 1279 R N 0.630 121.219 120.500 0.148 0.000 2.081 1279 R HA -0.157 4.182 4.340 -0.000 0.000 0.235 1279 R C 2.441 178.784 176.300 0.071 0.000 1.131 1279 R CA 1.625 57.820 56.100 0.159 0.000 0.960 1279 R CB -0.421 30.010 30.300 0.219 0.000 0.856 1279 R HN 0.398 nan 8.270 nan 0.000 0.436 1280 A N 0.891 123.746 122.820 0.059 0.000 1.897 1280 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 1280 A C 2.336 179.927 177.584 0.013 0.000 1.181 1280 A CA 1.400 53.457 52.037 0.033 0.000 0.620 1280 A CB -0.511 18.515 19.000 0.042 0.000 0.821 1280 A HN 0.390 nan 8.150 nan 0.000 0.443 1281 A N 0.044 122.882 122.820 0.031 0.000 1.883 1281 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 1281 A C 2.248 179.853 177.584 0.036 0.000 1.186 1281 A CA 1.760 53.827 52.037 0.050 0.000 0.624 1281 A CB -0.492 18.553 19.000 0.075 0.000 0.822 1281 A HN 0.544 nan 8.150 nan 0.000 0.444 1282 R N -0.767 119.726 120.500 -0.011 0.000 2.096 1282 R HA -0.052 4.287 4.340 -0.000 0.000 0.235 1282 R C 2.450 178.743 176.300 -0.012 0.000 1.127 1282 R CA 1.134 57.215 56.100 -0.031 0.000 0.968 1282 R CB -0.428 29.802 30.300 -0.116 0.000 0.861 1282 R HN 0.526 nan 8.270 nan 0.000 0.440 1283 A N 0.673 123.485 122.820 -0.013 0.000 1.972 1283 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 1283 A C 2.068 179.606 177.584 -0.077 0.000 1.169 1283 A CA 1.460 53.482 52.037 -0.024 0.000 0.635 1283 A CB -0.369 18.624 19.000 -0.011 0.000 0.810 1283 A HN 0.285 nan 8.150 nan 0.000 0.446 1284 Q N -1.017 118.707 119.800 -0.128 0.000 2.016 1284 Q HA -0.167 4.173 4.340 -0.000 0.000 0.200 1284 Q C 1.669 177.442 176.000 -0.378 0.000 0.978 1284 Q CA 2.013 57.633 55.803 -0.304 0.000 0.833 1284 Q CB -0.165 28.319 28.738 -0.424 0.000 0.895 1284 Q HN 0.760 nan 8.270 nan 0.000 0.427 1285 H N -1.824 117.191 119.070 -0.092 0.000 2.874 1285 H HA 0.197 4.753 4.556 -0.000 0.000 0.264 1285 H C 1.263 176.570 175.328 -0.035 0.000 1.007 1285 H CA 1.083 57.088 56.048 -0.072 0.000 1.207 1285 H CB 0.907 30.644 29.762 -0.043 0.000 1.487 1285 H HN 0.464 nan 8.280 nan 0.000 0.505 1286 T N -0.514 114.077 114.554 0.062 0.000 3.286 1286 T HA 0.059 4.409 4.350 -0.000 0.000 0.237 1286 T C 0.785 175.496 174.700 0.018 0.000 0.969 1286 T CA 0.196 62.319 62.100 0.038 0.000 1.298 1286 T CB 0.449 69.328 68.868 0.019 0.000 1.053 1286 T HN 0.493 nan 8.240 nan 0.000 0.402 1287 N N -0.696 118.010 118.700 0.011 0.000 3.278 1287 N HA 0.319 5.059 4.740 -0.000 0.000 0.307 1287 N C -0.708 174.806 175.510 0.007 0.000 1.551 1287 N CA -0.923 52.133 53.050 0.011 0.000 0.794 1287 N CB 0.907 39.408 38.487 0.022 0.000 1.770 1287 N HN 0.149 nan 8.380 nan 0.000 0.612 1288 N N -0.556 118.151 118.700 0.012 0.000 2.200 1288 N HA 0.015 4.754 4.740 -0.000 0.000 0.224 1288 N C -0.838 174.686 175.510 0.023 0.000 1.179 1288 N CA 0.001 53.057 53.050 0.010 0.000 0.877 1288 N CB -0.045 38.444 38.487 0.003 0.000 1.072 1288 N HN 0.477 nan 8.380 nan 0.000 0.519 1289 N N 1.847 120.568 118.700 0.034 0.000 2.719 1289 N HA 0.021 4.760 4.740 -0.000 0.000 0.243 1289 N C 1.399 176.945 175.510 0.059 0.000 1.104 1289 N CA 0.005 53.083 53.050 0.047 0.000 0.981 1289 N CB 0.456 38.976 38.487 0.055 0.000 1.290 1289 N HN 0.119 nan 8.380 nan 0.000 0.513 1290 T N 0.733 115.319 114.554 0.052 0.000 2.665 1290 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 1290 T C 1.129 175.877 174.700 0.080 0.000 1.035 1290 T CA 1.270 63.406 62.100 0.061 0.000 1.151 1290 T CB -0.241 68.656 68.868 0.049 0.000 0.862 1290 T HN 0.371 nan 8.240 nan 0.000 0.438 1291 K N 2.233 122.678 120.400 0.075 0.000 2.878 1291 K HA 0.161 4.481 4.320 -0.000 0.000 0.242 1291 K C 0.537 177.196 176.600 0.099 0.000 0.985 1291 K CA -0.055 56.283 56.287 0.084 0.000 1.168 1291 K CB -0.041 32.506 32.500 0.078 0.000 0.993 1291 K HN 0.583 nan 8.250 nan 0.000 0.476 1292 E N 1.521 121.790 120.200 0.115 0.000 2.259 1292 E HA 0.143 4.493 4.350 -0.000 0.000 0.281 1292 E C -0.877 175.831 176.600 0.181 0.000 1.027 1292 E CA -0.420 56.066 56.400 0.143 0.000 0.838 1292 E CB 0.710 30.501 29.700 0.151 0.000 1.066 1292 E HN 0.155 nan 8.360 nan 0.000 0.401 1293 L N 5.741 127.062 121.223 0.164 0.000 2.295 1293 L HA 0.472 4.812 4.340 -0.000 0.000 0.285 1293 L C -0.231 176.769 176.870 0.217 0.000 1.035 1293 L CA -0.897 54.022 54.840 0.131 0.000 0.806 1293 L CB 0.426 42.545 42.059 0.101 0.000 1.214 1293 L HN 0.454 nan 8.230 nan 0.000 0.426 1294 F N 0.062 120.076 119.950 0.106 0.000 2.603 1294 F HA 0.696 5.222 4.527 -0.000 0.000 0.317 1294 F C -0.345 175.534 175.800 0.132 0.000 1.066 1294 F CA -1.376 56.687 58.000 0.105 0.000 0.941 1294 F CB 1.392 40.444 39.000 0.086 0.000 1.291 1294 F HN 0.314 nan 8.300 nan 0.000 0.472 1295 R N 2.351 123.009 120.500 0.263 0.000 2.265 1295 R HA 0.624 4.963 4.340 -0.000 0.000 0.314 1295 R C -1.877 174.588 176.300 0.275 0.000 1.053 1295 R CA -0.613 55.605 56.100 0.197 0.000 0.931 1295 R CB 0.936 31.363 30.300 0.212 0.000 1.024 1295 R HN 0.848 nan 8.270 nan 0.000 0.457 1296 L N 4.943 126.294 121.223 0.213 0.000 2.372 1296 L HA 0.393 4.733 4.340 -0.000 0.000 0.273 1296 L C -1.290 175.832 176.870 0.419 0.000 0.989 1296 L CA -0.467 54.562 54.840 0.315 0.000 0.841 1296 L CB 1.531 43.747 42.059 0.263 0.000 1.225 1296 L HN 0.682 nan 8.230 nan 0.000 0.414 1297 D N 1.582 122.212 120.400 0.383 0.000 2.354 1297 D HA 0.263 4.902 4.640 -0.000 0.000 0.247 1297 D C -0.382 176.149 176.300 0.385 0.000 1.138 1297 D CA 0.035 54.272 54.000 0.396 0.000 0.958 1297 D CB 1.640 42.668 40.800 0.380 0.000 1.144 1297 D HN 0.425 nan 8.370 nan 0.000 0.458 1298 S N 0.324 116.132 115.700 0.179 0.000 2.489 1298 S HA 0.516 4.986 4.470 -0.000 0.000 0.291 1298 S C -2.634 171.987 174.600 0.035 0.000 1.151 1298 S CA -1.477 56.707 58.200 -0.027 0.000 1.082 1298 S CB 1.026 63.848 63.200 -0.631 0.000 1.019 1298 S HN 0.152 nan 8.310 nan 0.000 0.492 1299 P HA 0.269 nan 4.420 nan 0.000 0.285 1299 P C -1.136 176.264 177.300 0.166 0.000 1.259 1299 P CA -0.532 62.618 63.100 0.084 0.000 0.794 1299 P CB 0.914 32.616 31.700 0.004 0.000 0.940 1300 A N 3.114 126.076 122.820 0.237 0.000 3.030 1300 A HA 0.277 4.597 4.320 -0.000 0.000 0.273 1300 A C 1.050 178.651 177.584 0.029 0.000 1.841 1300 A CA -0.076 52.027 52.037 0.110 0.000 1.479 1300 A CB -1.590 17.371 19.000 -0.065 0.000 1.048 1300 A HN 0.624 nan 8.150 nan 0.000 0.612 1301 T N -0.634 113.945 114.554 0.041 0.000 2.734 1301 T HA 0.219 4.569 4.350 -0.000 0.000 0.314 1301 T C -1.527 173.183 174.700 0.017 0.000 1.057 1301 T CA -0.789 61.323 62.100 0.019 0.000 1.047 1301 T CB 0.083 68.957 68.868 0.009 0.000 0.991 1301 T HN 0.230 nan 8.240 nan 0.000 0.540 1302 P HA -0.080 nan 4.420 nan 0.000 0.216 1302 P C 1.522 178.825 177.300 0.004 0.000 1.150 1302 P CA 1.126 64.235 63.100 0.016 0.000 0.837 1302 P CB 0.001 31.704 31.700 0.006 0.000 0.786 1303 E N 0.601 120.800 120.200 -0.001 0.000 2.058 1303 E HA -0.237 4.112 4.350 -0.000 0.000 0.194 1303 E C 1.750 178.360 176.600 0.017 0.000 0.997 1303 E CA 1.379 57.778 56.400 -0.000 0.000 0.801 1303 E CB -0.216 29.479 29.700 -0.008 0.000 0.746 1303 E HN 0.141 nan 8.360 nan 0.000 0.450 1304 K N 0.012 120.431 120.400 0.031 0.000 2.148 1304 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 1304 K C 2.231 178.853 176.600 0.037 0.000 1.050 1304 K CA 1.139 57.458 56.287 0.054 0.000 0.942 1304 K CB -0.024 32.530 32.500 0.089 0.000 0.724 1304 K HN 0.277 nan 8.250 nan 0.000 0.446 1305 I N 0.332 120.910 120.570 0.012 0.000 2.233 1305 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 1305 I C 2.556 178.672 176.117 -0.002 0.000 1.093 1305 I CA 0.824 62.120 61.300 -0.008 0.000 1.380 1305 I CB -0.144 37.842 38.000 -0.024 0.000 1.067 1305 I HN 0.043 nan 8.210 nan 0.000 0.413 1306 R N 1.787 122.289 120.500 0.004 0.000 2.070 1306 R HA -0.166 4.174 4.340 -0.000 0.000 0.233 1306 R C 2.014 178.318 176.300 0.006 0.000 1.137 1306 R CA 1.921 58.023 56.100 0.004 0.000 0.945 1306 R CB -0.589 29.707 30.300 -0.007 0.000 0.845 1306 R HN 0.253 nan 8.270 nan 0.000 0.430 1307 N N 0.343 119.048 118.700 0.008 0.000 2.192 1307 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 1307 N C 1.380 176.887 175.510 -0.005 0.000 1.013 1307 N CA 1.686 54.744 53.050 0.012 0.000 0.863 1307 N CB -0.451 38.050 38.487 0.024 0.000 0.990 1307 N HN 0.432 nan 8.380 nan 0.000 0.430 1308 A N -0.338 122.468 122.820 -0.025 0.000 2.066 1308 A HA -0.003 4.316 4.320 -0.000 0.000 0.218 1308 A C 1.238 178.726 177.584 -0.159 0.000 1.157 1308 A CA 0.321 52.293 52.037 -0.109 0.000 0.670 1308 A CB -0.247 18.687 19.000 -0.109 0.000 0.804 1308 A HN 0.354 nan 8.150 nan 0.000 0.453 1309 C N 1.837 121.097 119.300 -0.067 0.000 3.057 1309 C HA 0.386 4.846 4.460 -0.000 0.000 0.563 1309 C C 0.702 175.701 174.990 0.016 0.000 1.129 1309 C CA -1.055 57.949 59.018 -0.024 0.000 1.284 1309 C CB -2.302 25.457 27.740 0.033 0.000 1.532 1309 C HN 0.320 nan 8.230 nan 0.000 0.631 1310 V N 4.200 124.105 119.914 -0.014 0.000 2.617 1310 V HA 0.179 4.299 4.120 -0.000 0.000 0.304 1310 V C 0.309 176.434 176.094 0.052 0.000 1.040 1310 V CA 1.089 63.398 62.300 0.016 0.000 1.149 1310 V CB 0.211 32.030 31.823 -0.006 0.000 0.914 1310 V HN 0.872 nan 8.190 nan 0.000 0.487 1311 D N 2.753 123.191 120.400 0.063 0.000 2.970 1311 D HA 0.184 4.823 4.640 -0.000 0.000 0.344 1311 D C 0.474 176.775 176.300 0.000 0.000 1.365 1311 D CA -0.487 53.546 54.000 0.056 0.000 0.910 1311 D CB 0.652 41.487 40.800 0.059 0.000 1.445 1311 D HN 0.360 nan 8.370 nan 0.000 0.532 1312 K N -0.529 119.807 120.400 -0.107 0.000 2.585 1312 K HA 0.014 4.334 4.320 -0.000 0.000 0.194 1312 K C 0.505 176.803 176.600 -0.504 0.000 1.037 1312 K CA 1.138 57.233 56.287 -0.320 0.000 0.964 1312 K CB -0.516 31.751 32.500 -0.388 0.000 0.787 1312 K HN 0.290 nan 8.250 nan 0.000 0.488 1313 F N 1.275 121.214 119.950 -0.019 0.000 2.490 1313 F HA 0.013 4.539 4.527 -0.000 0.000 0.280 1313 F C 2.812 178.595 175.800 -0.029 0.000 1.030 1313 F CA 0.652 58.626 58.000 -0.042 0.000 1.367 1313 F CB -0.687 38.262 39.000 -0.085 0.000 1.131 1313 F HN 0.094 nan 8.300 nan 0.000 0.632 1314 T N -1.245 113.410 114.554 0.168 0.000 2.778 1314 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 1314 T C 1.169 175.899 174.700 0.051 0.000 1.050 1314 T CA 1.527 63.678 62.100 0.087 0.000 1.137 1314 T CB -1.342 67.563 68.868 0.063 0.000 0.860 1314 T HN 0.307 nan 8.240 nan 0.000 0.468 1315 T N 0.000 114.572 114.554 0.030 0.000 3.816 1315 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1315 T CA 0.000 62.105 62.100 0.008 0.000 1.349 1315 T CB 0.000 68.865 68.868 -0.006 0.000 0.612 1315 T HN 0.000 nan 8.240 nan 0.000 0.658