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 3nvw_1_C 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 DKFTTLCVTG DATA SEQUENCE APGNCK 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 0.000 176.258 176.300 -0.071 0.000 2.045 571 D CA 0.000 53.955 54.000 -0.075 0.000 0.868 571 D CB 0.000 40.748 40.800 -0.087 0.000 0.688 572 T N -0.475 114.038 114.554 -0.068 0.000 3.086 572 T HA 0.216 4.554 4.350 -0.019 0.000 0.250 572 T C 0.853 175.517 174.700 -0.060 0.000 1.074 572 T CA -0.033 62.035 62.100 -0.052 0.000 0.988 572 T CB 0.038 68.885 68.868 -0.036 0.000 0.988 572 T HN 0.127 nan 8.240 nan 0.000 0.530 573 V N 2.327 122.184 119.914 -0.094 0.000 2.493 573 V HA 0.450 4.559 4.120 -0.019 0.000 0.292 573 V C 1.689 177.734 176.094 -0.082 0.000 1.016 573 V CA 1.292 63.530 62.300 -0.103 0.000 1.097 573 V CB -0.181 31.513 31.823 -0.215 0.000 0.947 573 V HN 0.865 nan 8.190 nan 0.000 0.479 574 G N 4.710 113.482 108.800 -0.047 0.000 2.175 574 G HA2 -0.211 3.737 3.960 -0.019 0.000 0.244 574 G HA3 -0.211 3.737 3.960 -0.019 0.000 0.244 574 G C 0.283 175.167 174.900 -0.027 0.000 0.982 574 G CA -0.073 45.006 45.100 -0.034 0.000 0.641 574 G HN 0.607 nan 8.290 nan 0.000 0.527 575 R N 0.909 121.392 120.500 -0.027 0.000 2.486 575 R HA 0.440 4.769 4.340 -0.019 0.000 0.286 575 R C -2.288 174.005 176.300 -0.012 0.000 0.999 575 R CA -1.659 54.429 56.100 -0.020 0.000 0.993 575 R CB 1.395 31.682 30.300 -0.022 0.000 1.084 575 R HN 0.044 nan 8.270 nan 0.000 0.487 576 P HA 0.009 nan 4.420 nan 0.000 0.226 576 P C -0.522 176.782 177.300 0.006 0.000 1.783 576 P CA -0.216 62.883 63.100 -0.001 0.000 0.980 576 P CB -0.123 31.576 31.700 -0.002 0.000 1.967 577 L N 3.167 124.393 121.223 0.004 0.000 2.462 577 L HA 0.287 4.616 4.340 -0.019 0.000 0.272 577 L C -2.260 174.626 176.870 0.026 0.000 1.166 577 L CA -1.737 53.110 54.840 0.010 0.000 0.880 577 L CB -0.481 41.579 42.059 0.001 0.000 1.142 577 L HN 0.012 nan 8.230 nan 0.000 0.473 578 P HA -0.027 nan 4.420 nan 0.000 0.267 578 P C -0.752 176.608 177.300 0.100 0.000 1.200 578 P CA -0.053 63.090 63.100 0.072 0.000 0.772 578 P CB 0.203 31.944 31.700 0.069 0.000 0.855 579 H N 2.808 121.893 119.070 0.025 0.000 3.195 579 H HA -0.081 4.463 4.556 -0.019 0.000 0.302 579 H C 1.140 176.487 175.328 0.032 0.000 0.950 579 H CA 0.737 56.801 56.048 0.027 0.000 1.398 579 H CB 0.353 30.133 29.762 0.030 0.000 1.377 579 H HN 0.386 nan 8.280 nan 0.000 0.572 580 L N 4.297 125.534 121.223 0.023 0.000 2.127 580 L HA -0.207 4.121 4.340 -0.019 0.000 0.211 580 L C 2.296 179.280 176.870 0.191 0.000 1.089 580 L CA 1.567 56.457 54.840 0.083 0.000 0.757 580 L CB -0.306 41.750 42.059 -0.004 0.000 0.899 580 L HN 0.650 nan 8.230 nan 0.000 0.434 581 A N -1.008 122.046 122.820 0.390 0.000 2.345 581 A HA 0.396 4.705 4.320 -0.019 0.000 0.225 581 A C 2.273 179.937 177.584 0.133 0.000 1.243 581 A CA 0.635 52.811 52.037 0.232 0.000 0.875 581 A CB -0.184 18.940 19.000 0.207 0.000 0.929 581 A HN 0.284 nan 8.150 nan 0.000 0.502 582 A N 0.426 123.335 122.820 0.148 0.000 1.908 582 A HA 0.076 4.385 4.320 -0.019 0.000 0.218 582 A C 2.424 180.038 177.584 0.050 0.000 1.181 582 A CA 2.031 54.094 52.037 0.045 0.000 0.627 582 A CB -0.843 18.200 19.000 0.072 0.000 0.818 582 A HN 1.040 nan 8.150 nan 0.000 0.445 583 A N -0.656 122.203 122.820 0.065 0.000 1.898 583 A HA -0.092 4.217 4.320 -0.019 0.000 0.216 583 A C 2.247 179.861 177.584 0.050 0.000 1.181 583 A CA 1.762 53.830 52.037 0.053 0.000 0.620 583 A CB -0.527 18.504 19.000 0.051 0.000 0.819 583 A HN 0.537 nan 8.150 nan 0.000 0.442 584 M N -0.990 118.642 119.600 0.054 0.000 2.229 584 M HA -0.185 4.283 4.480 -0.019 0.000 0.264 584 M C 2.319 178.652 176.300 0.056 0.000 1.063 584 M CA 1.361 56.690 55.300 0.049 0.000 1.114 584 M CB -0.366 32.261 32.600 0.045 0.000 1.387 584 M HN 0.495 nan 8.290 nan 0.000 0.420 585 Q N 0.172 120.006 119.800 0.057 0.000 2.079 585 Q HA -0.067 4.262 4.340 -0.019 0.000 0.200 585 Q C 2.251 178.299 176.000 0.079 0.000 0.974 585 Q CA 1.548 57.403 55.803 0.085 0.000 0.840 585 Q CB -0.220 28.554 28.738 0.058 0.000 0.898 585 Q HN 0.578 nan 8.270 nan 0.000 0.430 586 A N 0.835 123.690 122.820 0.057 0.000 2.015 586 A HA -0.125 4.183 4.320 -0.019 0.000 0.219 586 A C 2.086 179.700 177.584 0.049 0.000 1.163 586 A CA 1.543 53.611 52.037 0.052 0.000 0.646 586 A CB -0.275 18.752 19.000 0.045 0.000 0.806 586 A HN 0.395 nan 8.150 nan 0.000 0.448 587 S N -2.389 113.340 115.700 0.049 0.000 2.556 587 S HA 0.394 4.853 4.470 -0.019 0.000 0.216 587 S C 1.370 175.998 174.600 0.048 0.000 0.970 587 S CA 1.014 59.239 58.200 0.042 0.000 0.912 587 S CB -0.137 63.084 63.200 0.036 0.000 0.790 587 S HN 1.841 nan 8.310 nan 0.000 0.504 588 G N 1.262 110.101 108.800 0.065 0.000 2.148 588 G HA2 -0.286 3.663 3.960 -0.019 0.000 0.254 588 G HA3 -0.286 3.663 3.960 -0.019 0.000 0.254 588 G C 0.473 175.416 174.900 0.072 0.000 0.981 588 G CA 0.553 45.699 45.100 0.078 0.000 0.670 588 G HN 0.591 nan 8.290 nan 0.000 0.528 589 E N -0.022 120.212 120.200 0.057 0.000 2.250 589 E HA 0.396 4.735 4.350 -0.019 0.000 0.192 589 E C 1.820 178.435 176.600 0.024 0.000 0.986 589 E CA 0.311 56.733 56.400 0.036 0.000 0.849 589 E CB 0.152 29.868 29.700 0.027 0.000 0.797 589 E HN 0.784 nan 8.360 nan 0.000 0.482 590 A N 1.673 124.508 122.820 0.026 0.000 2.546 590 A HA 0.125 4.434 4.320 -0.019 0.000 0.243 590 A C 0.149 177.666 177.584 -0.111 0.000 1.063 590 A CA 0.018 52.017 52.037 -0.064 0.000 0.757 590 A CB 0.253 19.194 19.000 -0.098 0.000 0.991 590 A HN 0.003 nan 8.150 nan 0.000 0.503 591 V N 4.525 124.328 119.914 -0.184 0.000 2.383 591 V HA 0.290 4.399 4.120 -0.019 0.000 0.275 591 V C -0.451 175.471 176.094 -0.287 0.000 1.036 591 V CA -0.120 62.101 62.300 -0.132 0.000 0.889 591 V CB -0.040 31.731 31.823 -0.086 0.000 0.985 591 V HN 0.745 nan 8.190 nan 0.000 0.459 592 Y N 1.978 122.273 120.300 -0.009 0.000 2.458 592 Y HA 0.305 4.843 4.550 -0.019 0.000 0.322 592 Y C 1.631 177.522 175.900 -0.016 0.000 1.259 592 Y CA -0.327 57.768 58.100 -0.009 0.000 1.302 592 Y CB 0.544 38.999 38.460 -0.009 0.000 1.314 592 Y HN 0.656 nan 8.280 nan 0.000 0.509 593 C N 0.648 120.038 119.300 0.150 0.000 2.376 593 C HA -0.277 4.172 4.460 -0.019 0.000 0.275 593 C C 2.429 177.453 174.990 0.056 0.000 1.200 593 C CA 2.471 61.539 59.018 0.083 0.000 1.756 593 C CB -0.903 26.893 27.740 0.093 0.000 2.050 593 C HN 1.073 nan 8.230 nan 0.000 0.460 594 D N -0.376 120.073 120.400 0.083 0.000 2.348 594 D HA -0.050 4.579 4.640 -0.019 0.000 0.216 594 D C 1.493 177.826 176.300 0.056 0.000 0.970 594 D CA 0.858 54.901 54.000 0.072 0.000 0.889 594 D CB -0.296 40.554 40.800 0.083 0.000 0.912 594 D HN 0.566 nan 8.370 nan 0.000 0.524 595 D N -0.242 120.195 120.400 0.062 0.000 2.317 595 D HA -0.004 4.625 4.640 -0.019 0.000 0.211 595 D C 0.669 176.954 176.300 -0.025 0.000 0.966 595 D CA 0.110 54.134 54.000 0.040 0.000 0.876 595 D CB 0.150 41.000 40.800 0.084 0.000 0.927 595 D HN 0.360 nan 8.370 nan 0.000 0.519 596 I N 2.607 123.132 120.570 -0.075 0.000 2.752 596 I HA -0.023 4.136 4.170 -0.019 0.000 0.289 596 I C -1.872 174.148 176.117 -0.161 0.000 1.197 596 I CA -1.313 59.881 61.300 -0.176 0.000 1.432 596 I CB 0.121 37.933 38.000 -0.313 0.000 1.359 596 I HN -0.282 nan 8.210 nan 0.000 0.571 597 P HA 0.107 nan 4.420 nan 0.000 0.268 597 P C -0.512 176.655 177.300 -0.221 0.000 1.208 597 P CA -0.192 62.808 63.100 -0.166 0.000 0.777 597 P CB 0.461 32.051 31.700 -0.184 0.000 0.875 598 R N 1.784 122.207 120.500 -0.128 0.000 2.390 598 R HA 0.237 4.565 4.340 -0.019 0.000 0.291 598 R C -0.024 176.187 176.300 -0.148 0.000 1.070 598 R CA -0.332 55.709 56.100 -0.098 0.000 1.014 598 R CB 0.179 30.501 30.300 0.037 0.000 1.007 598 R HN 0.476 nan 8.270 nan 0.000 0.466 599 Y N 1.696 121.977 120.300 -0.032 0.000 2.550 599 Y HA -0.156 4.382 4.550 -0.019 0.000 0.343 599 Y C 1.905 177.807 175.900 0.004 0.000 1.245 599 Y CA 0.396 58.485 58.100 -0.018 0.000 1.462 599 Y CB 0.658 39.103 38.460 -0.024 0.000 1.340 599 Y HN 0.683 nan 8.280 nan 0.000 0.604 600 E N 0.686 121.004 120.200 0.197 0.000 2.187 600 E HA -0.317 4.022 4.350 -0.019 0.000 0.199 600 E C 0.581 177.259 176.600 0.130 0.000 1.004 600 E CA 1.804 58.280 56.400 0.126 0.000 0.813 600 E CB -0.329 29.430 29.700 0.098 0.000 0.736 600 E HN 0.752 nan 8.360 nan 0.000 0.468 601 N N 0.906 119.687 118.700 0.136 0.000 2.238 601 N HA 0.017 4.746 4.740 -0.019 0.000 0.222 601 N C -0.448 175.200 175.510 0.229 0.000 1.133 601 N CA -0.145 53.004 53.050 0.165 0.000 0.854 601 N CB 0.254 38.744 38.487 0.005 0.000 1.041 601 N HN 0.254 nan 8.380 nan 0.000 0.510 602 E N 1.076 121.360 120.200 0.141 0.000 2.316 602 E HA 0.239 4.578 4.350 -0.019 0.000 0.275 602 E C -0.490 176.046 176.600 -0.107 0.000 1.029 602 E CA -0.360 56.055 56.400 0.025 0.000 0.871 602 E CB 0.658 30.347 29.700 -0.019 0.000 1.022 602 E HN 0.227 nan 8.360 nan 0.000 0.418 603 L N 3.457 124.579 121.223 -0.169 0.000 2.376 603 L HA 0.547 4.876 4.340 -0.019 0.000 0.267 603 L C -0.570 176.029 176.870 -0.453 0.000 1.035 603 L CA -1.029 53.714 54.840 -0.161 0.000 0.800 603 L CB 0.743 42.757 42.059 -0.075 0.000 1.290 603 L HN 0.527 nan 8.230 nan 0.000 0.462 604 F N 0.666 120.636 119.950 0.033 0.000 2.540 604 F HA 0.571 5.087 4.527 -0.019 0.000 0.317 604 F C -0.318 175.501 175.800 0.033 0.000 1.104 604 F CA -0.485 57.540 58.000 0.043 0.000 0.913 604 F CB 1.919 40.948 39.000 0.049 0.000 1.170 604 F HN 0.152 nan 8.300 nan 0.000 0.450 605 L N 3.302 124.644 121.223 0.197 0.000 2.334 605 L HA 0.773 5.102 4.340 -0.019 0.000 0.276 605 L C -0.938 176.020 176.870 0.147 0.000 1.014 605 L CA -0.722 54.196 54.840 0.130 0.000 0.815 605 L CB 1.508 43.621 42.059 0.089 0.000 1.268 605 L HN 0.726 nan 8.230 nan 0.000 0.428 606 R N 4.120 124.693 120.500 0.122 0.000 2.513 606 R HA 0.562 4.891 4.340 -0.019 0.000 0.301 606 R C -1.505 174.855 176.300 0.099 0.000 0.968 606 R CA -0.463 55.705 56.100 0.114 0.000 0.872 606 R CB 1.294 31.663 30.300 0.115 0.000 1.177 606 R HN 0.688 nan 8.270 nan 0.000 0.444 607 L N 3.676 124.959 121.223 0.100 0.000 2.456 607 L HA 0.294 4.623 4.340 -0.019 0.000 0.272 607 L C -0.307 176.623 176.870 0.100 0.000 1.189 607 L CA -0.493 54.413 54.840 0.110 0.000 0.846 607 L CB 1.056 43.189 42.059 0.123 0.000 1.111 607 L HN 0.328 nan 8.230 nan 0.000 0.475 608 V N 1.665 121.650 119.914 0.120 0.000 2.384 608 V HA 0.459 4.568 4.120 -0.019 0.000 0.287 608 V C 0.257 176.437 176.094 0.143 0.000 1.020 608 V CA -0.432 61.953 62.300 0.141 0.000 0.850 608 V CB 1.609 33.584 31.823 0.253 0.000 0.987 608 V HN 0.943 nan 8.190 nan 0.000 0.436 609 T N 0.975 115.607 114.554 0.130 0.000 2.924 609 T HA 0.554 4.893 4.350 -0.019 0.000 0.291 609 T C -0.003 174.802 174.700 0.175 0.000 1.045 609 T CA -0.673 61.518 62.100 0.151 0.000 1.015 609 T CB 1.787 70.737 68.868 0.136 0.000 1.103 609 T HN 0.526 nan 8.240 nan 0.000 0.496 610 S N 0.409 116.233 115.700 0.205 0.000 2.560 610 S HA 0.257 4.716 4.470 -0.019 0.000 0.284 610 S C 1.378 176.050 174.600 0.119 0.000 1.327 610 S CA 0.146 58.485 58.200 0.233 0.000 1.055 610 S CB -0.017 63.322 63.200 0.233 0.000 0.868 610 S HN 1.001 nan 8.310 nan 0.000 0.506 611 T N 2.580 117.157 114.554 0.038 0.000 3.069 611 T HA 0.349 4.687 4.350 -0.019 0.000 0.252 611 T C 0.351 174.924 174.700 -0.211 0.000 1.053 611 T CA -0.388 61.676 62.100 -0.060 0.000 0.964 611 T CB 0.038 68.906 68.868 0.000 0.000 1.005 611 T HN 0.412 nan 8.240 nan 0.000 0.532 612 R N 0.373 120.670 120.500 -0.338 0.000 2.637 612 R HA 0.760 5.089 4.340 -0.019 0.000 0.291 612 R C 1.007 177.249 176.300 -0.097 0.000 0.963 612 R CA -0.220 55.693 56.100 -0.312 0.000 0.901 612 R CB 1.392 31.340 30.300 -0.587 0.000 1.160 612 R HN 0.148 nan 8.270 nan 0.000 0.457 613 A N 1.172 123.966 122.820 -0.043 0.000 1.930 613 A HA -0.123 4.186 4.320 -0.019 0.000 0.217 613 A C 0.248 177.901 177.584 0.115 0.000 1.175 613 A CA 1.553 53.602 52.037 0.021 0.000 0.627 613 A CB -0.187 18.814 19.000 0.001 0.000 0.815 613 A HN 0.657 nan 8.150 nan 0.000 0.443 614 H N -2.193 116.863 119.070 -0.023 0.000 3.188 614 H HA 0.609 5.154 4.556 -0.019 0.000 0.325 614 H C -0.959 174.382 175.328 0.021 0.000 1.033 614 H CA -0.420 55.637 56.048 0.015 0.000 1.443 614 H CB 0.838 30.601 29.762 0.001 0.000 1.968 614 H HN 0.523 nan 8.280 nan 0.000 0.449 615 A N 4.102 126.915 122.820 -0.012 0.000 2.599 615 A HA 0.490 4.799 4.320 -0.019 0.000 0.294 615 A C -1.283 176.337 177.584 0.060 0.000 1.055 615 A CA -1.025 51.002 52.037 -0.017 0.000 0.683 615 A CB 1.307 20.357 19.000 0.084 0.000 1.278 615 A HN 0.505 nan 8.150 nan 0.000 0.412 616 K N 0.872 121.296 120.400 0.040 0.000 2.218 616 K HA 0.498 4.807 4.320 -0.019 0.000 0.276 616 K C -0.760 175.895 176.600 0.091 0.000 1.022 616 K CA 0.004 56.324 56.287 0.054 0.000 0.946 616 K CB 0.920 33.429 32.500 0.015 0.000 1.000 616 K HN 0.523 nan 8.250 nan 0.000 0.468 617 I N 3.851 124.448 120.570 0.045 0.000 2.337 617 I HA 0.024 4.183 4.170 -0.019 0.000 0.291 617 I C 1.130 177.205 176.117 -0.070 0.000 1.046 617 I CA -0.140 61.129 61.300 -0.053 0.000 1.324 617 I CB 0.723 38.690 38.000 -0.055 0.000 1.409 617 I HN 0.437 nan 8.210 nan 0.000 0.494 618 K N 3.535 123.868 120.400 -0.112 0.000 2.308 618 K HA 0.198 4.507 4.320 -0.019 0.000 0.197 618 K C 0.246 176.788 176.600 -0.095 0.000 1.049 618 K CA 0.402 56.641 56.287 -0.079 0.000 0.991 618 K CB 0.401 32.867 32.500 -0.055 0.000 0.836 618 K HN 0.754 nan 8.250 nan 0.000 0.500 619 S N -0.382 115.230 115.700 -0.147 0.000 2.558 619 S HA 0.569 5.028 4.470 -0.019 0.000 0.277 619 S C -0.962 173.524 174.600 -0.189 0.000 1.143 619 S CA -1.002 57.114 58.200 -0.138 0.000 0.865 619 S CB 1.158 64.289 63.200 -0.115 0.000 1.102 619 S HN 0.013 nan 8.310 nan 0.000 0.454 620 I N 2.128 122.592 120.570 -0.177 0.000 2.439 620 I HA 0.425 4.583 4.170 -0.019 0.000 0.285 620 I C -1.281 174.677 176.117 -0.265 0.000 1.021 620 I CA -0.338 60.817 61.300 -0.242 0.000 1.091 620 I CB 1.813 39.662 38.000 -0.252 0.000 1.242 620 I HN 0.687 nan 8.210 nan 0.000 0.439 621 D N 6.253 126.498 120.400 -0.258 0.000 2.381 621 D HA 0.276 4.905 4.640 -0.019 0.000 0.235 621 D C 0.394 176.529 176.300 -0.276 0.000 1.068 621 D CA -0.396 53.470 54.000 -0.223 0.000 0.832 621 D CB 2.101 42.807 40.800 -0.156 0.000 1.101 621 D HN 0.358 nan 8.370 nan 0.000 0.515 622 V N 1.858 121.594 119.914 -0.296 0.000 3.376 622 V HA 0.120 4.229 4.120 -0.019 0.000 0.313 622 V C 1.627 177.553 176.094 -0.281 0.000 1.393 622 V CA 0.628 62.735 62.300 -0.321 0.000 1.125 622 V CB -0.394 31.222 31.823 -0.346 0.000 1.037 622 V HN 0.459 nan 8.190 nan 0.000 0.440 623 S N 0.387 115.961 115.700 -0.211 0.000 2.382 623 S HA -0.174 4.284 4.470 -0.019 0.000 0.228 623 S C 1.729 176.209 174.600 -0.199 0.000 1.027 623 S CA 1.516 59.606 58.200 -0.183 0.000 0.991 623 S CB -0.391 62.733 63.200 -0.127 0.000 0.823 623 S HN 0.621 nan 8.310 nan 0.000 0.469 624 E N 1.788 121.879 120.200 -0.180 0.000 2.112 624 E HA 0.174 4.512 4.350 -0.019 0.000 0.190 624 E C 2.471 178.944 176.600 -0.212 0.000 0.979 624 E CA 1.014 57.320 56.400 -0.156 0.000 0.814 624 E CB -0.755 28.885 29.700 -0.101 0.000 0.762 624 E HN 0.638 nan 8.360 nan 0.000 0.460 625 A N 1.375 124.030 122.820 -0.274 0.000 1.940 625 A HA -0.240 4.069 4.320 -0.019 0.000 0.219 625 A C 2.074 179.170 177.584 -0.814 0.000 1.176 625 A CA 1.529 53.345 52.037 -0.368 0.000 0.631 625 A CB -0.573 18.260 19.000 -0.278 0.000 0.814 625 A HN 0.222 nan 8.150 nan 0.000 0.446 626 Q N -0.644 118.587 119.800 -0.950 0.000 2.364 626 Q HA -0.108 4.220 4.340 -0.019 0.000 0.209 626 Q C 1.455 177.206 176.000 -0.416 0.000 0.977 626 Q CA 1.305 56.514 55.803 -0.989 0.000 0.885 626 Q CB -0.093 28.331 28.738 -0.524 0.000 0.941 626 Q HN 0.650 nan 8.270 nan 0.000 0.464 627 K N -0.191 120.036 120.400 -0.290 0.000 2.393 627 K HA 0.103 4.412 4.320 -0.019 0.000 0.193 627 K C -0.130 176.404 176.600 -0.110 0.000 1.026 627 K CA -0.084 56.114 56.287 -0.149 0.000 1.064 627 K CB 0.786 33.215 32.500 -0.117 0.000 0.833 627 K HN -0.063 nan 8.250 nan 0.000 0.521 628 V N 3.945 123.787 119.914 -0.120 0.000 2.521 628 V HA 0.065 4.174 4.120 -0.019 0.000 0.286 628 V C -2.209 173.825 176.094 -0.101 0.000 1.034 628 V CA -1.724 60.530 62.300 -0.077 0.000 1.045 628 V CB 0.415 32.233 31.823 -0.008 0.000 0.974 628 V HN 0.040 nan 8.190 nan 0.000 0.480 629 P HA 0.151 nan 4.420 nan 0.000 0.264 629 P C 0.981 178.007 177.300 -0.458 0.000 1.183 629 P CA 1.482 64.412 63.100 -0.283 0.000 0.763 629 P CB 0.459 31.972 31.700 -0.311 0.000 0.807 630 G N 2.278 110.997 108.800 -0.135 0.000 2.179 630 G HA2 -0.304 3.645 3.960 -0.019 0.000 0.260 630 G HA3 -0.304 3.645 3.960 -0.019 0.000 0.260 630 G C 0.146 175.099 174.900 0.087 0.000 0.977 630 G CA -0.360 44.751 45.100 0.018 0.000 0.641 630 G HN 0.560 nan 8.290 nan 0.000 0.533 631 F N 1.064 120.986 119.950 -0.047 0.000 2.608 631 F HA 0.404 4.920 4.527 -0.019 0.000 0.380 631 F C 1.328 177.134 175.800 0.010 0.000 1.083 631 F CA 0.927 58.929 58.000 0.003 0.000 1.266 631 F CB 0.967 39.962 39.000 -0.008 0.000 1.076 631 F HN -0.072 nan 8.300 nan 0.000 0.574 632 V N 4.403 123.890 119.914 -0.711 0.000 2.721 632 V HA 0.095 4.204 4.120 -0.019 0.000 0.236 632 V C 0.350 176.043 176.094 -0.669 0.000 1.116 632 V CA 1.023 63.029 62.300 -0.491 0.000 1.148 632 V CB 0.433 32.062 31.823 -0.323 0.000 0.886 632 V HN 1.019 nan 8.190 nan 0.000 0.490 633 C N -1.779 116.949 119.300 -0.954 0.000 3.312 633 C HA 0.703 5.152 4.460 -0.019 0.000 0.332 633 C C -1.221 173.598 174.990 -0.285 0.000 1.340 633 C CA -1.340 57.385 59.018 -0.489 0.000 1.265 633 C CB 0.833 28.464 27.740 -0.181 0.000 1.563 633 C HN 0.324 nan 8.230 nan 0.000 0.471 634 F N 1.896 121.853 119.950 0.013 0.000 2.427 634 F HA 0.814 5.330 4.527 -0.019 0.000 0.346 634 F C -0.655 175.111 175.800 -0.056 0.000 1.120 634 F CA -0.979 57.045 58.000 0.040 0.000 1.033 634 F CB 0.844 39.932 39.000 0.147 0.000 1.126 634 F HN 0.679 nan 8.300 nan 0.000 0.462 635 L N 5.905 126.607 121.223 -0.869 0.000 2.322 635 L HA 0.671 4.999 4.340 -0.019 0.000 0.279 635 L C -0.137 175.951 176.870 -1.304 0.000 1.036 635 L CA -0.491 53.895 54.840 -0.757 0.000 0.807 635 L CB 1.655 43.437 42.059 -0.462 0.000 1.226 635 L HN 0.792 nan 8.230 nan 0.000 0.433 636 S N 0.978 116.246 115.700 -0.720 0.000 2.794 636 S HA 0.639 5.098 4.470 -0.019 0.000 0.299 636 S C 0.655 175.195 174.600 -0.100 0.000 1.179 636 S CA -0.122 57.736 58.200 -0.571 0.000 0.838 636 S CB 1.339 64.475 63.200 -0.107 0.000 1.206 636 S HN 0.595 nan 8.310 nan 0.000 0.523 637 A N 0.836 123.715 122.820 0.097 0.000 1.948 637 A HA -0.110 4.199 4.320 -0.019 0.000 0.220 637 A C 1.551 179.206 177.584 0.119 0.000 1.177 637 A CA 2.146 54.305 52.037 0.204 0.000 0.636 637 A CB -1.373 17.714 19.000 0.145 0.000 0.815 637 A HN 0.820 nan 8.150 nan 0.000 0.449 638 D N 0.300 120.745 120.400 0.075 0.000 2.265 638 D HA -0.112 4.516 4.640 -0.019 0.000 0.208 638 D C 0.965 177.305 176.300 0.067 0.000 0.977 638 D CA 1.164 55.201 54.000 0.061 0.000 0.871 638 D CB -0.319 40.513 40.800 0.053 0.000 0.925 638 D HN 0.482 nan 8.370 nan 0.000 0.485 639 D N 0.089 120.534 120.400 0.075 0.000 2.347 639 D HA 0.024 4.653 4.640 -0.019 0.000 0.213 639 D C 0.838 177.209 176.300 0.117 0.000 0.985 639 D CA 0.027 54.083 54.000 0.093 0.000 0.879 639 D CB 0.741 41.582 40.800 0.069 0.000 0.919 639 D HN 0.270 nan 8.370 nan 0.000 0.526 640 I N 3.350 123.978 120.570 0.097 0.000 2.517 640 I HA -0.025 4.133 4.170 -0.019 0.000 0.285 640 I C -0.911 175.193 176.117 -0.020 0.000 1.106 640 I CA -1.031 60.288 61.300 0.031 0.000 1.402 640 I CB 1.176 39.187 38.000 0.019 0.000 1.399 640 I HN -0.152 nan 8.210 nan 0.000 0.535 641 P HA 0.036 nan 4.420 nan 0.000 0.230 641 P C 0.929 178.161 177.300 -0.114 0.000 1.168 641 P CA 0.721 63.747 63.100 -0.122 0.000 0.793 641 P CB 0.552 32.059 31.700 -0.321 0.000 0.851 642 G N -0.446 108.272 108.800 -0.137 0.000 2.534 642 G HA2 0.222 4.171 3.960 -0.019 0.000 0.224 642 G HA3 0.222 4.171 3.960 -0.019 0.000 0.224 642 G C -0.261 174.593 174.900 -0.077 0.000 1.822 642 G CA 0.263 45.300 45.100 -0.105 0.000 0.805 642 G HN 0.357 nan 8.290 nan 0.000 0.649 643 S N -0.569 115.078 115.700 -0.088 0.000 2.547 643 S HA 0.400 4.858 4.470 -0.019 0.000 0.281 643 S C -0.353 174.193 174.600 -0.090 0.000 1.118 643 S CA -0.614 57.539 58.200 -0.078 0.000 0.947 643 S CB 1.778 64.927 63.200 -0.085 0.000 1.053 643 S HN 0.233 nan 8.310 nan 0.000 0.482 644 N N 2.812 121.472 118.700 -0.067 0.000 2.270 644 N HA 0.155 4.884 4.740 -0.019 0.000 0.198 644 N C -0.557 174.902 175.510 -0.086 0.000 1.117 644 N CA 0.096 53.104 53.050 -0.070 0.000 0.845 644 N CB 0.298 38.776 38.487 -0.015 0.000 0.980 644 N HN 0.675 nan 8.380 nan 0.000 0.486 645 E N -0.172 119.968 120.200 -0.100 0.000 2.134 645 E HA 0.273 4.612 4.350 -0.019 0.000 0.278 645 E C -0.638 175.840 176.600 -0.203 0.000 0.959 645 E CA -0.240 56.094 56.400 -0.111 0.000 0.783 645 E CB 1.663 31.316 29.700 -0.078 0.000 1.095 645 E HN 0.027 nan 8.360 nan 0.000 0.399 646 T N 1.320 115.727 114.554 -0.245 0.000 2.647 646 T HA 0.738 5.077 4.350 -0.019 0.000 0.295 646 T C -0.832 173.615 174.700 -0.421 0.000 1.126 646 T CA 0.315 62.133 62.100 -0.470 0.000 1.040 646 T CB 1.529 70.123 68.868 -0.458 0.000 1.472 646 T HN 0.788 nan 8.240 nan 0.000 0.500 647 G N 0.578 108.992 108.800 -0.642 0.000 2.663 647 G HA2 -0.020 3.929 3.960 -0.019 0.000 0.686 647 G HA3 -0.020 3.929 3.960 -0.019 0.000 0.686 647 G C 0.244 175.111 174.900 -0.056 0.000 1.246 647 G CA -0.136 44.855 45.100 -0.182 0.000 0.795 647 G HN 1.045 nan 8.290 nan 0.000 0.627 648 L N 0.218 121.547 121.223 0.177 0.000 2.081 648 L HA 0.179 4.508 4.340 -0.019 0.000 0.212 648 L C 2.021 178.656 176.870 -0.391 0.000 1.080 648 L CA 2.426 57.269 54.840 0.006 0.000 0.754 648 L CB -0.435 41.582 42.059 -0.070 0.000 0.893 648 L HN 0.566 nan 8.230 nan 0.000 0.433 649 F N -0.832 119.148 119.950 0.050 0.000 2.708 649 F HA 0.280 4.796 4.527 -0.019 0.000 0.300 649 F C 1.109 176.893 175.800 -0.027 0.000 1.118 649 F CA -0.433 57.571 58.000 0.008 0.000 1.307 649 F CB -0.257 38.733 39.000 -0.017 0.000 0.986 649 F HN 0.022 nan 8.300 nan 0.000 0.522 650 N N 1.724 120.434 118.700 0.016 0.000 2.725 650 N HA -0.195 4.534 4.740 -0.019 0.000 0.249 650 N C -0.029 175.483 175.510 0.002 0.000 1.103 650 N CA 1.283 54.309 53.050 -0.041 0.000 0.707 650 N CB -0.827 37.642 38.487 -0.031 0.000 1.043 650 N HN 0.542 nan 8.380 nan 0.000 0.553 651 D N -1.093 119.325 120.400 0.029 0.000 2.501 651 D HA 0.137 4.766 4.640 -0.019 0.000 0.224 651 D C 0.194 176.515 176.300 0.034 0.000 1.202 651 D CA 0.118 54.143 54.000 0.043 0.000 0.829 651 D CB 0.245 41.079 40.800 0.056 0.000 1.023 651 D HN 0.353 nan 8.370 nan 0.000 0.499 652 E N -0.053 120.149 120.200 0.004 0.000 2.281 652 E HA 0.489 4.828 4.350 -0.019 0.000 0.262 652 E C -0.366 176.239 176.600 0.010 0.000 0.933 652 E CA -0.919 55.493 56.400 0.021 0.000 0.809 652 E CB 1.704 31.403 29.700 -0.002 0.000 1.242 652 E HN 0.135 nan 8.360 nan 0.000 0.418 653 T N -2.102 112.495 114.554 0.072 0.000 2.929 653 T HA 0.254 4.592 4.350 -0.019 0.000 0.284 653 T C 1.030 175.706 174.700 -0.041 0.000 1.014 653 T CA -0.828 61.288 62.100 0.026 0.000 1.051 653 T CB 1.362 70.275 68.868 0.075 0.000 1.028 653 T HN 0.157 nan 8.240 nan 0.000 0.485 654 V N 0.361 120.182 119.914 -0.154 0.000 2.270 654 V HA 0.133 4.242 4.120 -0.019 0.000 0.245 654 V C 0.324 176.156 176.094 -0.437 0.000 1.043 654 V CA 1.163 63.246 62.300 -0.362 0.000 1.014 654 V CB -0.674 30.846 31.823 -0.506 0.000 0.645 654 V HN 0.849 nan 8.190 nan 0.000 0.447 655 F N -0.759 119.175 119.950 -0.027 0.000 2.518 655 F HA 0.700 5.216 4.527 -0.019 0.000 0.323 655 F C 0.316 176.075 175.800 -0.069 0.000 1.129 655 F CA -0.922 57.048 58.000 -0.049 0.000 0.920 655 F CB 1.172 40.137 39.000 -0.057 0.000 1.160 655 F HN 0.011 nan 8.300 nan 0.000 0.440 656 A N 3.674 126.514 122.820 0.035 0.000 2.540 656 A HA 0.185 4.494 4.320 -0.019 0.000 0.239 656 A C 0.878 178.468 177.584 0.010 0.000 1.061 656 A CA -0.087 51.886 52.037 -0.107 0.000 0.758 656 A CB 0.405 19.146 19.000 -0.432 0.000 0.991 656 A HN 1.026 nan 8.150 nan 0.000 0.502 657 K N 0.697 121.115 120.400 0.029 0.000 2.273 657 K HA 0.142 4.451 4.320 -0.019 0.000 0.206 657 K C -0.044 176.575 176.600 0.033 0.000 1.072 657 K CA 0.680 56.993 56.287 0.043 0.000 0.953 657 K CB 0.245 32.776 32.500 0.051 0.000 1.043 657 K HN 0.514 nan 8.250 nan 0.000 0.477 658 D N 0.414 120.838 120.400 0.040 0.000 2.470 658 D HA 0.086 4.715 4.640 -0.019 0.000 0.238 658 D C -0.073 176.259 176.300 0.054 0.000 1.054 658 D CA 0.586 54.610 54.000 0.039 0.000 0.896 658 D CB 1.097 41.921 40.800 0.041 0.000 1.118 658 D HN 0.128 nan 8.370 nan 0.000 0.497 659 T N 1.154 115.757 114.554 0.082 0.000 2.916 659 T HA 0.452 4.790 4.350 -0.019 0.000 0.298 659 T C -0.198 174.608 174.700 0.177 0.000 1.031 659 T CA -0.768 61.410 62.100 0.131 0.000 0.993 659 T CB 2.919 71.881 68.868 0.156 0.000 1.045 659 T HN -0.113 nan 8.240 nan 0.000 0.454 660 V N 0.596 120.656 119.914 0.244 0.000 2.532 660 V HA 0.857 4.965 4.120 -0.019 0.000 0.295 660 V C 0.657 177.025 176.094 0.457 0.000 1.041 660 V CA -0.571 61.950 62.300 0.368 0.000 0.926 660 V CB 1.288 33.299 31.823 0.313 0.000 0.992 660 V HN 1.063 nan 8.190 nan 0.000 0.457 661 T N -1.339 113.520 114.554 0.508 0.000 3.170 661 T HA 0.394 4.733 4.350 -0.019 0.000 0.288 661 T C 0.178 174.885 174.700 0.011 0.000 0.992 661 T CA 0.366 62.569 62.100 0.171 0.000 0.909 661 T CB -0.655 68.230 68.868 0.028 0.000 1.133 661 T HN 1.651 nan 8.240 nan 0.000 0.530 662 C N -0.641 118.704 119.300 0.075 0.000 3.307 662 C HA 0.775 5.224 4.460 -0.019 0.000 0.333 662 C C -0.346 174.699 174.990 0.092 0.000 1.291 662 C CA -1.224 57.813 59.018 0.032 0.000 1.273 662 C CB 0.887 28.605 27.740 -0.036 0.000 1.580 662 C HN 0.174 nan 8.230 nan 0.000 0.481 663 V N 2.858 122.804 119.914 0.054 0.000 2.599 663 V HA 0.487 4.596 4.120 -0.019 0.000 0.300 663 V C 1.626 177.776 176.094 0.092 0.000 1.034 663 V CA 2.350 64.686 62.300 0.059 0.000 1.115 663 V CB 0.297 32.139 31.823 0.032 0.000 0.934 663 V HN 2.315 nan 8.190 nan 0.000 0.485 664 G N 2.970 111.841 108.800 0.117 0.000 2.175 664 G HA2 -0.263 3.686 3.960 -0.019 0.000 0.244 664 G HA3 -0.263 3.686 3.960 -0.019 0.000 0.244 664 G C 0.233 175.247 174.900 0.190 0.000 0.982 664 G CA 0.275 45.453 45.100 0.129 0.000 0.641 664 G HN 0.953 nan 8.290 nan 0.000 0.527 665 H N 0.525 119.651 119.070 0.093 0.000 3.004 665 H HA 0.374 4.919 4.556 -0.019 0.000 0.316 665 H C 0.843 176.252 175.328 0.135 0.000 1.014 665 H CA -0.537 55.575 56.048 0.107 0.000 1.454 665 H CB 0.201 30.032 29.762 0.115 0.000 1.472 665 H HN 0.271 nan 8.280 nan 0.000 0.571 666 I N 7.280 128.036 120.570 0.310 0.000 2.517 666 I HA -0.138 4.021 4.170 -0.019 0.000 0.285 666 I C 0.950 177.161 176.117 0.157 0.000 1.106 666 I CA 0.385 61.818 61.300 0.221 0.000 1.402 666 I CB 0.680 38.826 38.000 0.243 0.000 1.399 666 I HN 0.701 nan 8.210 nan 0.000 0.535 667 I N 4.716 125.375 120.570 0.148 0.000 3.081 667 I HA 0.261 4.420 4.170 -0.019 0.000 0.274 667 I C 1.228 177.346 176.117 0.002 0.000 1.178 667 I CA 0.319 61.676 61.300 0.096 0.000 1.460 667 I CB 0.172 38.234 38.000 0.104 0.000 1.137 667 I HN 0.767 nan 8.210 nan 0.000 0.443 668 G N 0.233 108.957 108.800 -0.126 0.000 2.428 668 G HA2 0.716 4.664 3.960 -0.019 0.000 0.305 668 G HA3 0.716 4.664 3.960 -0.019 0.000 0.305 668 G C -2.062 172.504 174.900 -0.556 0.000 1.260 668 G CA 0.138 44.701 45.100 -0.895 0.000 0.853 668 G HN 0.202 nan 8.290 nan 0.000 0.480 669 A N -1.291 121.030 122.820 -0.832 0.000 2.566 669 A HA 0.729 5.038 4.320 -0.019 0.000 0.297 669 A C -1.212 176.213 177.584 -0.266 0.000 1.059 669 A CA -0.387 51.468 52.037 -0.304 0.000 0.691 669 A CB 1.615 20.556 19.000 -0.098 0.000 1.282 669 A HN 1.540 nan 8.150 nan 0.000 0.401 670 V N 1.571 121.510 119.914 0.042 0.000 2.567 670 V HA 0.522 4.631 4.120 -0.019 0.000 0.289 670 V C -0.116 175.982 176.094 0.006 0.000 1.049 670 V CA -0.374 61.999 62.300 0.121 0.000 0.969 670 V CB 1.539 33.535 31.823 0.288 0.000 0.995 670 V HN 0.684 nan 8.190 nan 0.000 0.471 671 V N 3.865 123.704 119.914 -0.124 0.000 2.495 671 V HA 0.928 5.036 4.120 -0.019 0.000 0.298 671 V C 0.230 176.227 176.094 -0.162 0.000 1.031 671 V CA -0.132 62.101 62.300 -0.112 0.000 0.871 671 V CB 1.320 33.050 31.823 -0.154 0.000 0.988 671 V HN 1.099 nan 8.190 nan 0.000 0.432 672 A N 2.907 125.736 122.820 0.014 0.000 2.567 672 A HA 0.706 5.014 4.320 -0.019 0.000 0.289 672 A C 0.348 178.049 177.584 0.195 0.000 1.177 672 A CA -0.035 52.044 52.037 0.069 0.000 0.694 672 A CB 1.415 20.516 19.000 0.168 0.000 1.292 672 A HN 0.745 nan 8.150 nan 0.000 0.425 673 D N -0.471 120.064 120.400 0.226 0.000 2.323 673 D HA 0.068 4.697 4.640 -0.019 0.000 0.209 673 D C 0.655 177.161 176.300 0.343 0.000 0.973 673 D CA 1.564 55.729 54.000 0.274 0.000 0.874 673 D CB -0.160 40.769 40.800 0.215 0.000 0.930 673 D HN 0.758 nan 8.370 nan 0.000 0.521 674 T N -4.688 109.970 114.554 0.173 0.000 2.883 674 T HA 0.413 4.752 4.350 -0.019 0.000 0.301 674 T C -2.436 172.001 174.700 -0.439 0.000 1.158 674 T CA -1.548 60.364 62.100 -0.313 0.000 1.007 674 T CB 2.760 71.393 68.868 -0.392 0.000 1.186 674 T HN -0.359 nan 8.240 nan 0.000 0.499 675 P HA -0.028 nan 4.420 nan 0.000 0.218 675 P C 0.961 178.169 177.300 -0.153 0.000 1.149 675 P CA 1.130 63.989 63.100 -0.401 0.000 0.817 675 P CB 0.208 31.645 31.700 -0.438 0.000 0.785 676 E N -0.906 119.168 120.200 -0.210 0.000 2.077 676 E HA -0.197 4.142 4.350 -0.019 0.000 0.193 676 E C 2.185 178.806 176.600 0.035 0.000 0.989 676 E CA 1.201 57.537 56.400 -0.107 0.000 0.800 676 E CB -0.884 28.699 29.700 -0.194 0.000 0.746 676 E HN 0.394 nan 8.360 nan 0.000 0.452 677 H N -0.249 118.823 119.070 0.004 0.000 2.357 677 H HA 0.103 4.648 4.556 -0.019 0.000 0.301 677 H C 1.975 177.369 175.328 0.110 0.000 1.082 677 H CA 1.281 57.367 56.048 0.063 0.000 1.342 677 H CB -0.640 29.164 29.762 0.069 0.000 1.389 677 H HN 0.230 nan 8.280 nan 0.000 0.511 678 A N 0.892 123.845 122.820 0.223 0.000 1.902 678 A HA -0.213 4.096 4.320 -0.019 0.000 0.217 678 A C 2.387 180.084 177.584 0.188 0.000 1.181 678 A CA 1.827 53.983 52.037 0.199 0.000 0.623 678 A CB -0.455 18.653 19.000 0.179 0.000 0.818 678 A HN 0.541 nan 8.150 nan 0.000 0.443 679 E N -0.335 119.966 120.200 0.168 0.000 2.038 679 E HA -0.230 4.109 4.350 -0.019 0.000 0.195 679 E C 2.317 179.104 176.600 0.312 0.000 1.000 679 E CA 1.134 57.658 56.400 0.207 0.000 0.803 679 E CB -0.160 29.651 29.700 0.184 0.000 0.750 679 E HN 0.532 nan 8.360 nan 0.000 0.448 680 R N -0.074 120.576 120.500 0.249 0.000 2.083 680 R HA -0.169 4.160 4.340 -0.019 0.000 0.237 680 R C 2.408 178.833 176.300 0.209 0.000 1.137 680 R CA 1.253 57.483 56.100 0.217 0.000 0.951 680 R CB -0.441 29.964 30.300 0.175 0.000 0.851 680 R HN 0.234 nan 8.270 nan 0.000 0.434 681 A N 1.106 124.051 122.820 0.209 0.000 1.873 681 A HA -0.079 4.230 4.320 -0.019 0.000 0.215 681 A C 2.389 180.079 177.584 0.178 0.000 1.186 681 A CA 1.640 53.795 52.037 0.196 0.000 0.616 681 A CB -0.597 18.610 19.000 0.345 0.000 0.823 681 A HN 0.402 nan 8.150 nan 0.000 0.442 682 A N -0.874 122.054 122.820 0.180 0.000 1.940 682 A HA -0.201 4.108 4.320 -0.019 0.000 0.219 682 A C 1.898 179.506 177.584 0.040 0.000 1.176 682 A CA 1.959 54.062 52.037 0.111 0.000 0.631 682 A CB -0.942 18.093 19.000 0.058 0.000 0.814 682 A HN 0.704 nan 8.150 nan 0.000 0.446 683 H N -0.806 118.314 119.070 0.084 0.000 2.421 683 H HA -0.056 4.489 4.556 -0.019 0.000 0.298 683 H C 1.807 177.157 175.328 0.037 0.000 1.087 683 H CA 1.896 57.981 56.048 0.061 0.000 1.330 683 H CB 0.104 29.899 29.762 0.056 0.000 1.388 683 H HN 0.451 nan 8.280 nan 0.000 0.526 684 V N -2.014 117.978 119.914 0.129 0.000 3.542 684 V HA 0.197 4.306 4.120 -0.019 0.000 0.296 684 V C 0.522 176.605 176.094 -0.019 0.000 1.364 684 V CA -0.313 62.015 62.300 0.046 0.000 1.118 684 V CB -0.303 31.531 31.823 0.019 0.000 0.972 684 V HN -0.061 nan 8.190 nan 0.000 0.430 685 V N 2.434 122.335 119.914 -0.021 0.000 2.485 685 V HA 0.207 4.315 4.120 -0.019 0.000 0.287 685 V C 0.414 176.460 176.094 -0.080 0.000 1.022 685 V CA 0.258 62.499 62.300 -0.098 0.000 1.067 685 V CB 0.317 32.080 31.823 -0.101 0.000 0.967 685 V HN 0.551 nan 8.190 nan 0.000 0.479 686 K N 4.214 124.543 120.400 -0.119 0.000 2.235 686 K HA 0.660 4.969 4.320 -0.019 0.000 0.266 686 K C -1.023 175.492 176.600 -0.142 0.000 0.980 686 K CA -0.508 55.726 56.287 -0.089 0.000 0.849 686 K CB 1.997 34.450 32.500 -0.078 0.000 1.098 686 K HN 0.469 nan 8.250 nan 0.000 0.445 687 V N 2.321 122.152 119.914 -0.138 0.000 2.513 687 V HA 0.359 4.467 4.120 -0.019 0.000 0.299 687 V C -0.201 175.660 176.094 -0.387 0.000 1.035 687 V CA -0.787 61.321 62.300 -0.320 0.000 0.889 687 V CB 1.953 33.522 31.823 -0.424 0.000 0.988 687 V HN 0.754 nan 8.190 nan 0.000 0.440 688 T N 4.246 118.544 114.554 -0.427 0.000 2.797 688 T HA 0.711 5.049 4.350 -0.019 0.000 0.279 688 T C -1.089 173.384 174.700 -0.379 0.000 0.991 688 T CA -0.197 61.740 62.100 -0.272 0.000 0.979 688 T CB 0.784 69.574 68.868 -0.130 0.000 0.943 688 T HN 0.465 nan 8.240 nan 0.000 0.444 689 Y N 0.656 120.952 120.300 -0.007 0.000 2.570 689 Y HA 0.547 5.086 4.550 -0.019 0.000 0.345 689 Y C 0.376 176.269 175.900 -0.013 0.000 1.014 689 Y CA -1.226 56.870 58.100 -0.006 0.000 1.063 689 Y CB 1.674 40.135 38.460 0.002 0.000 1.272 689 Y HN 0.532 nan 8.280 nan 0.000 0.477 690 E N 1.902 122.195 120.200 0.155 0.000 2.182 690 E HA 0.200 4.539 4.350 -0.019 0.000 0.258 690 E C -1.462 175.159 176.600 0.035 0.000 0.879 690 E CA -0.796 55.646 56.400 0.070 0.000 0.754 690 E CB 0.744 30.461 29.700 0.027 0.000 1.162 690 E HN 0.589 nan 8.360 nan 0.000 0.419 691 D N 3.402 123.811 120.400 0.014 0.000 2.472 691 D HA 0.150 4.779 4.640 -0.019 0.000 0.237 691 D C -0.145 176.105 176.300 -0.082 0.000 1.141 691 D CA 0.595 54.575 54.000 -0.034 0.000 0.875 691 D CB 0.716 41.501 40.800 -0.025 0.000 1.192 691 D HN 0.399 nan 8.370 nan 0.000 0.450 692 L N 2.726 123.851 121.223 -0.164 0.000 2.323 692 L HA 0.404 4.733 4.340 -0.019 0.000 0.265 692 L C -2.238 174.595 176.870 -0.062 0.000 1.012 692 L CA -2.145 52.559 54.840 -0.227 0.000 0.820 692 L CB 1.854 43.523 42.059 -0.649 0.000 1.334 692 L HN 0.110 nan 8.230 nan 0.000 0.427 693 P HA 0.094 nan 4.420 nan 0.000 0.264 693 P C -1.064 176.352 177.300 0.193 0.000 1.193 693 P CA 0.071 63.218 63.100 0.079 0.000 0.763 693 P CB 0.643 32.374 31.700 0.051 0.000 0.810 694 A N 3.931 126.811 122.820 0.100 0.000 2.337 694 A HA 0.733 5.042 4.320 -0.019 0.000 0.331 694 A C -0.550 177.018 177.584 -0.026 0.000 1.137 694 A CA -0.713 51.360 52.037 0.060 0.000 0.807 694 A CB 0.666 19.695 19.000 0.048 0.000 1.250 694 A HN 0.483 nan 8.150 nan 0.000 0.468 695 I N 2.780 123.300 120.570 -0.084 0.000 2.410 695 I HA 0.270 4.428 4.170 -0.019 0.000 0.286 695 I C -0.055 175.989 176.117 -0.122 0.000 1.009 695 I CA -0.283 60.950 61.300 -0.112 0.000 1.111 695 I CB 1.516 39.425 38.000 -0.152 0.000 1.262 695 I HN 0.567 nan 8.210 nan 0.000 0.443 696 I N 2.451 122.953 120.570 -0.113 0.000 3.443 696 I HA 0.069 4.227 4.170 -0.019 0.000 0.277 696 I C 1.375 177.409 176.117 -0.138 0.000 1.169 696 I CA 0.820 62.038 61.300 -0.136 0.000 1.419 696 I CB -0.461 37.460 38.000 -0.131 0.000 1.331 696 I HN 0.518 nan 8.210 nan 0.000 0.458 697 T N -0.913 113.575 114.554 -0.110 0.000 2.902 697 T HA 0.499 4.838 4.350 -0.019 0.000 0.280 697 T C 1.429 176.088 174.700 -0.069 0.000 0.992 697 T CA -0.447 61.599 62.100 -0.090 0.000 1.015 697 T CB 1.914 70.728 68.868 -0.090 0.000 1.044 697 T HN 0.035 nan 8.240 nan 0.000 0.520 698 I N 0.604 121.162 120.570 -0.021 0.000 2.226 698 I HA -0.161 3.998 4.170 -0.019 0.000 0.245 698 I C 2.834 178.909 176.117 -0.070 0.000 1.100 698 I CA 1.521 62.821 61.300 0.001 0.000 1.374 698 I CB -0.380 37.678 38.000 0.096 0.000 1.057 698 I HN 0.813 nan 8.210 nan 0.000 0.413 699 E N 0.658 120.809 120.200 -0.082 0.000 2.058 699 E HA -0.257 4.082 4.350 -0.019 0.000 0.194 699 E C 1.760 178.299 176.600 -0.103 0.000 0.997 699 E CA 1.463 57.803 56.400 -0.100 0.000 0.801 699 E CB -0.175 29.476 29.700 -0.082 0.000 0.746 699 E HN 0.446 nan 8.360 nan 0.000 0.450 700 D N 0.493 120.834 120.400 -0.098 0.000 2.126 700 D HA -0.206 4.423 4.640 -0.019 0.000 0.190 700 D C 1.877 178.085 176.300 -0.152 0.000 1.001 700 D CA 1.687 55.622 54.000 -0.108 0.000 0.841 700 D CB -0.327 40.410 40.800 -0.104 0.000 0.949 700 D HN 0.199 nan 8.370 nan 0.000 0.446 701 A N 0.249 122.963 122.820 -0.178 0.000 1.898 701 A HA -0.113 4.195 4.320 -0.019 0.000 0.216 701 A C 2.453 179.796 177.584 -0.401 0.000 1.181 701 A CA 0.946 52.806 52.037 -0.295 0.000 0.620 701 A CB -0.672 18.176 19.000 -0.253 0.000 0.819 701 A HN 0.220 nan 8.150 nan 0.000 0.442 702 I N -0.333 120.111 120.570 -0.210 0.000 2.179 702 I HA -0.274 3.885 4.170 -0.019 0.000 0.242 702 I C 2.533 178.600 176.117 -0.083 0.000 1.088 702 I CA 1.885 63.146 61.300 -0.065 0.000 1.357 702 I CB -0.237 37.710 38.000 -0.087 0.000 1.051 702 I HN 0.379 nan 8.210 nan 0.000 0.409 703 K N 0.903 121.243 120.400 -0.102 0.000 2.152 703 K HA -0.191 4.118 4.320 -0.019 0.000 0.206 703 K C 1.402 177.945 176.600 -0.094 0.000 1.048 703 K CA 1.558 57.799 56.287 -0.077 0.000 0.933 703 K CB -0.043 32.415 32.500 -0.071 0.000 0.721 703 K HN 0.357 nan 8.250 nan 0.000 0.447 704 N N 1.029 119.634 118.700 -0.157 0.000 2.270 704 N HA -0.067 4.662 4.740 -0.019 0.000 0.198 704 N C -0.397 174.980 175.510 -0.222 0.000 1.117 704 N CA 0.228 53.179 53.050 -0.164 0.000 0.845 704 N CB 0.154 38.540 38.487 -0.169 0.000 0.980 704 N HN 0.265 nan 8.380 nan 0.000 0.486 705 N N 0.704 119.228 118.700 -0.292 0.000 2.727 705 N HA -0.200 4.528 4.740 -0.019 0.000 0.249 705 N C -1.126 174.015 175.510 -0.616 0.000 1.048 705 N CA 0.365 53.204 53.050 -0.351 0.000 0.714 705 N CB -1.199 37.261 38.487 -0.045 0.000 0.959 705 N HN -0.029 nan 8.380 nan 0.000 0.544 706 S N 1.179 116.312 115.700 -0.945 0.000 2.543 706 S HA 0.585 5.044 4.470 -0.019 0.000 0.299 706 S C -0.813 173.273 174.600 -0.856 0.000 1.125 706 S CA -0.534 57.254 58.200 -0.687 0.000 1.098 706 S CB -0.267 62.651 63.200 -0.470 0.000 1.063 706 S HN 0.317 nan 8.310 nan 0.000 0.493 707 F N 2.468 122.307 119.950 -0.186 0.000 2.588 707 F HA 0.465 4.980 4.527 -0.019 0.000 0.314 707 F C -0.612 175.042 175.800 -0.244 0.000 1.069 707 F CA -1.289 56.603 58.000 -0.180 0.000 0.931 707 F CB 1.393 40.365 39.000 -0.046 0.000 1.260 707 F HN 0.312 nan 8.300 nan 0.000 0.465 708 Y N 1.354 121.771 120.300 0.194 0.000 2.350 708 Y HA 0.492 5.031 4.550 -0.019 0.000 0.340 708 Y C 0.850 176.786 175.900 0.061 0.000 1.006 708 Y CA -0.003 58.147 58.100 0.082 0.000 1.166 708 Y CB 0.882 39.364 38.460 0.036 0.000 1.168 708 Y HN 0.896 nan 8.280 nan 0.000 0.502 709 G N 2.026 110.933 108.800 0.179 0.000 2.697 709 G HA2 -0.195 3.754 3.960 -0.019 0.000 0.240 709 G HA3 -0.195 3.754 3.960 -0.019 0.000 0.240 709 G C -0.227 174.705 174.900 0.052 0.000 1.346 709 G CA -0.374 44.774 45.100 0.080 0.000 0.887 709 G HN 0.918 nan 8.290 nan 0.000 0.569 710 S N -1.053 114.650 115.700 0.004 0.000 2.738 710 S HA 0.662 5.121 4.470 -0.019 0.000 0.284 710 S C 0.212 174.758 174.600 -0.091 0.000 1.146 710 S CA 0.283 58.461 58.200 -0.037 0.000 0.997 710 S CB 1.841 65.022 63.200 -0.031 0.000 1.081 710 S HN 1.056 nan 8.310 nan 0.000 0.553 711 E N -0.151 119.974 120.200 -0.126 0.000 2.376 711 E HA 0.214 4.553 4.350 -0.019 0.000 0.266 711 E C -1.212 175.302 176.600 -0.144 0.000 1.009 711 E CA -0.426 55.874 56.400 -0.165 0.000 0.902 711 E CB 0.216 29.828 29.700 -0.148 0.000 0.972 711 E HN 0.410 nan 8.360 nan 0.000 0.439 712 L N 4.650 125.761 121.223 -0.186 0.000 2.334 712 L HA 0.438 4.767 4.340 -0.019 0.000 0.277 712 L C 0.057 176.868 176.870 -0.099 0.000 1.075 712 L CA 0.244 54.952 54.840 -0.220 0.000 0.804 712 L CB 1.176 43.026 42.059 -0.347 0.000 1.174 712 L HN 0.466 nan 8.230 nan 0.000 0.438 713 K N 2.815 123.218 120.400 0.004 0.000 2.542 713 K HA 0.681 4.989 4.320 -0.019 0.000 0.259 713 K C -1.803 174.969 176.600 0.286 0.000 0.932 713 K CA -0.482 55.877 56.287 0.120 0.000 0.820 713 K CB 1.707 34.258 32.500 0.085 0.000 1.345 713 K HN 0.523 nan 8.250 nan 0.000 0.432 714 I N 2.535 123.256 120.570 0.251 0.000 2.466 714 I HA 0.349 4.508 4.170 -0.019 0.000 0.289 714 I C -0.890 175.366 176.117 0.232 0.000 1.026 714 I CA -0.616 60.849 61.300 0.276 0.000 1.078 714 I CB 2.135 40.308 38.000 0.288 0.000 1.249 714 I HN 0.628 nan 8.210 nan 0.000 0.429 715 E N 6.433 126.752 120.200 0.199 0.000 2.292 715 E HA 0.512 4.851 4.350 -0.019 0.000 0.272 715 E C -1.508 175.173 176.600 0.135 0.000 0.881 715 E CA -0.855 55.636 56.400 0.151 0.000 0.754 715 E CB 2.560 32.328 29.700 0.114 0.000 1.201 715 E HN 0.498 nan 8.360 nan 0.000 0.425 716 K N 2.883 123.350 120.400 0.113 0.000 2.501 716 K HA 0.623 4.932 4.320 -0.019 0.000 0.252 716 K C -0.214 176.412 176.600 0.043 0.000 0.934 716 K CA 0.203 56.541 56.287 0.084 0.000 0.797 716 K CB 1.649 34.212 32.500 0.105 0.000 1.270 716 K HN 0.747 nan 8.250 nan 0.000 0.431 717 G N 2.316 111.132 108.800 0.026 0.000 2.542 717 G HA2 -0.213 3.736 3.960 -0.019 0.000 0.235 717 G HA3 -0.213 3.736 3.960 -0.019 0.000 0.235 717 G C -1.298 173.604 174.900 0.003 0.000 1.286 717 G CA 0.069 45.170 45.100 0.002 0.000 0.904 717 G HN 0.676 nan 8.290 nan 0.000 0.577 718 D N 0.345 120.737 120.400 -0.014 0.000 2.389 718 D HA 0.499 5.128 4.640 -0.019 0.000 0.256 718 D C 1.652 177.942 176.300 -0.018 0.000 1.239 718 D CA -0.482 53.515 54.000 -0.005 0.000 0.925 718 D CB 0.717 41.513 40.800 -0.007 0.000 1.145 718 D HN 0.353 nan 8.370 nan 0.000 0.542 719 L N 2.880 124.109 121.223 0.011 0.000 2.017 719 L HA -0.117 4.212 4.340 -0.019 0.000 0.208 719 L C 2.512 179.455 176.870 0.122 0.000 1.073 719 L CA 0.966 55.824 54.840 0.031 0.000 0.745 719 L CB -0.131 42.005 42.059 0.130 0.000 0.894 719 L HN 0.384 nan 8.230 nan 0.000 0.432 720 K N 0.704 121.180 120.400 0.126 0.000 2.044 720 K HA -0.293 4.016 4.320 -0.019 0.000 0.210 720 K C 2.232 178.884 176.600 0.086 0.000 1.049 720 K CA 1.945 58.307 56.287 0.125 0.000 0.927 720 K CB -0.077 32.465 32.500 0.070 0.000 0.713 720 K HN 0.137 nan 8.250 nan 0.000 0.443 721 K N -0.329 120.090 120.400 0.032 0.000 2.026 721 K HA -0.121 4.188 4.320 -0.019 0.000 0.208 721 K C 2.115 178.699 176.600 -0.027 0.000 1.048 721 K CA 1.691 57.979 56.287 0.002 0.000 0.929 721 K CB -0.429 32.064 32.500 -0.012 0.000 0.713 721 K HN 0.326 nan 8.250 nan 0.000 0.439 722 G N 0.321 109.070 108.800 -0.085 0.000 2.440 722 G HA2 -0.237 3.712 3.960 -0.019 0.000 0.218 722 G HA3 -0.237 3.712 3.960 -0.019 0.000 0.218 722 G C 1.318 176.091 174.900 -0.212 0.000 1.154 722 G CA 0.733 45.717 45.100 -0.193 0.000 0.767 722 G HN 0.312 nan 8.290 nan 0.000 0.552 723 F N 1.281 121.201 119.950 -0.050 0.000 2.293 723 F HA -0.017 4.498 4.527 -0.020 0.000 0.300 723 F C 3.039 178.801 175.800 -0.062 0.000 1.086 723 F CA 1.004 58.967 58.000 -0.061 0.000 1.375 723 F CB 0.155 39.122 39.000 -0.056 0.000 1.045 723 F HN 0.078 nan 8.300 nan 0.000 0.516 724 S N -0.286 115.479 115.700 0.108 0.000 2.383 724 S HA -0.171 4.288 4.470 -0.019 0.000 0.227 724 S C 1.715 176.318 174.600 0.006 0.000 1.026 724 S CA 1.179 59.405 58.200 0.045 0.000 0.981 724 S CB -0.266 62.951 63.200 0.028 0.000 0.818 724 S HN 0.443 nan 8.310 nan 0.000 0.472 725 E N 1.117 121.307 120.200 -0.016 0.000 2.358 725 E HA 0.187 4.526 4.350 -0.019 0.000 0.195 725 E C 0.688 177.258 176.600 -0.049 0.000 1.010 725 E CA 0.136 56.514 56.400 -0.036 0.000 0.856 725 E CB 0.013 29.684 29.700 -0.050 0.000 0.795 725 E HN 0.424 nan 8.360 nan 0.000 0.504 726 A N 1.486 124.273 122.820 -0.056 0.000 2.462 726 A HA -0.027 4.281 4.320 -0.019 0.000 0.243 726 A C 0.441 177.960 177.584 -0.108 0.000 1.076 726 A CA -0.189 51.793 52.037 -0.092 0.000 0.773 726 A CB 0.352 19.300 19.000 -0.087 0.000 1.010 726 A HN -0.019 nan 8.150 nan 0.000 0.493 727 D N 0.496 120.806 120.400 -0.151 0.000 2.183 727 D HA 0.002 4.631 4.640 -0.019 0.000 0.205 727 D C -0.011 176.150 176.300 -0.233 0.000 0.962 727 D CA 1.245 55.157 54.000 -0.147 0.000 0.849 727 D CB 0.100 40.835 40.800 -0.108 0.000 0.978 727 D HN 0.577 nan 8.370 nan 0.000 0.488 728 N N -0.208 118.209 118.700 -0.472 0.000 2.229 728 N HA 0.392 5.121 4.740 -0.019 0.000 0.298 728 N C -1.088 173.988 175.510 -0.724 0.000 1.114 728 N CA -0.437 52.221 53.050 -0.653 0.000 0.776 728 N CB 3.252 41.146 38.487 -0.989 0.000 1.501 728 N HN -0.261 nan 8.380 nan 0.000 0.474 729 V N 1.168 120.873 119.914 -0.349 0.000 2.709 729 V HA 0.500 4.609 4.120 -0.019 0.000 0.308 729 V C -0.485 175.639 176.094 0.051 0.000 1.062 729 V CA -0.721 61.523 62.300 -0.094 0.000 0.901 729 V CB 2.313 34.116 31.823 -0.033 0.000 1.003 729 V HN 0.350 nan 8.190 nan 0.000 0.425 730 V N 3.735 123.791 119.914 0.236 0.000 2.588 730 V HA 0.750 4.859 4.120 -0.019 0.000 0.304 730 V C -0.114 176.059 176.094 0.132 0.000 1.042 730 V CA -0.325 62.119 62.300 0.240 0.000 0.877 730 V CB 2.331 34.401 31.823 0.411 0.000 0.996 730 V HN 1.028 nan 8.190 nan 0.000 0.425 731 S N 2.889 118.580 115.700 -0.016 0.000 2.568 731 S HA 1.023 5.481 4.470 -0.019 0.000 0.293 731 S C -0.261 174.105 174.600 -0.390 0.000 1.089 731 S CA -0.116 57.950 58.200 -0.223 0.000 0.945 731 S CB 2.383 65.469 63.200 -0.188 0.000 1.077 731 S HN 1.422 nan 8.310 nan 0.000 0.485 732 G N 0.067 108.338 108.800 -0.881 0.000 2.489 732 G HA2 0.544 4.493 3.960 -0.019 0.000 0.305 732 G HA3 0.544 4.493 3.960 -0.019 0.000 0.305 732 G C -2.141 172.405 174.900 -0.590 0.000 1.311 732 G CA -0.706 43.991 45.100 -0.672 0.000 0.813 732 G HN 0.882 nan 8.290 nan 0.000 0.480 733 E N -1.159 119.007 120.200 -0.057 0.000 2.317 733 E HA 0.697 5.036 4.350 -0.019 0.000 0.270 733 E C -1.967 174.851 176.600 0.363 0.000 0.885 733 E CA -0.745 55.760 56.400 0.174 0.000 0.760 733 E CB 2.619 32.388 29.700 0.115 0.000 1.227 733 E HN 0.511 nan 8.360 nan 0.000 0.434 734 L N 3.738 125.212 121.223 0.419 0.000 2.472 734 L HA 0.533 4.862 4.340 -0.019 0.000 0.260 734 L C -2.145 174.999 176.870 0.457 0.000 0.963 734 L CA -0.585 54.506 54.840 0.418 0.000 0.829 734 L CB 1.876 44.157 42.059 0.371 0.000 1.348 734 L HN 0.650 nan 8.230 nan 0.000 0.408 735 Y N 4.639 125.126 120.300 0.312 0.000 2.425 735 Y HA 0.718 5.256 4.550 -0.020 0.000 0.344 735 Y C -1.367 174.701 175.900 0.280 0.000 0.969 735 Y CA -0.855 57.415 58.100 0.284 0.000 1.052 735 Y CB 1.751 40.339 38.460 0.214 0.000 1.215 735 Y HN 0.639 nan 8.280 nan 0.000 0.451 736 I N 5.738 126.087 120.570 -0.370 0.000 2.418 736 I HA 0.674 4.833 4.170 -0.019 0.000 0.287 736 I C 0.105 175.808 176.117 -0.690 0.000 1.008 736 I CA -0.476 60.585 61.300 -0.399 0.000 1.104 736 I CB 1.005 38.845 38.000 -0.268 0.000 1.264 736 I HN 0.844 nan 8.210 nan 0.000 0.438 737 G N 4.489 113.055 108.800 -0.390 0.000 2.606 737 G HA2 0.443 4.391 3.960 -0.019 0.000 0.252 737 G HA3 0.443 4.391 3.960 -0.019 0.000 0.252 737 G C 0.360 175.185 174.900 -0.125 0.000 1.206 737 G CA 0.006 45.019 45.100 -0.145 0.000 0.861 737 G HN 0.866 nan 8.290 nan 0.000 0.561 738 G N -1.362 107.443 108.800 0.009 0.000 2.485 738 G HA2 0.494 4.443 3.960 -0.019 0.000 0.260 738 G HA3 0.494 4.443 3.960 -0.019 0.000 0.260 738 G C -0.218 174.658 174.900 -0.040 0.000 1.459 738 G CA -0.190 44.907 45.100 -0.004 0.000 1.060 738 G HN 0.734 nan 8.290 nan 0.000 0.546 739 Q N -1.375 118.410 119.800 -0.026 0.000 2.468 739 Q HA 0.236 4.565 4.340 -0.019 0.000 0.263 739 Q C -2.231 173.844 176.000 0.124 0.000 0.979 739 Q CA -0.623 55.170 55.803 -0.015 0.000 0.932 739 Q CB 2.287 30.754 28.738 -0.451 0.000 1.462 739 Q HN 0.595 nan 8.270 nan 0.000 0.403 740 D N 0.052 120.523 120.400 0.119 0.000 2.210 740 D HA 0.217 4.846 4.640 -0.019 0.000 0.249 740 D C 0.566 176.944 176.300 0.130 0.000 1.078 740 D CA 0.038 54.017 54.000 -0.034 0.000 0.875 740 D CB 0.914 41.464 40.800 -0.417 0.000 1.175 740 D HN 0.573 nan 8.370 nan 0.000 0.440 741 H N 2.933 121.938 119.070 -0.107 0.000 2.352 741 H HA -0.046 4.499 4.556 -0.018 0.000 0.299 741 H C 0.551 175.661 175.328 -0.364 0.000 1.097 741 H CA 1.154 56.860 56.048 -0.570 0.000 1.311 741 H CB -0.213 29.075 29.762 -0.790 0.000 1.377 741 H HN 0.525 nan 8.280 nan 0.000 0.504 742 F N 0.450 120.118 119.950 -0.471 0.000 3.048 742 F HA -0.286 4.231 4.527 -0.018 0.000 0.269 742 F C -0.636 175.059 175.800 -0.176 0.000 0.960 742 F CA -0.487 57.343 58.000 -0.284 0.000 0.909 742 F CB -1.704 37.278 39.000 -0.031 0.000 0.837 742 F HN 0.151 nan 8.300 nan 0.000 0.768 743 Y N -0.695 119.759 120.300 0.258 0.000 2.712 743 Y HA 0.074 4.613 4.550 -0.018 0.000 0.333 743 Y C 1.117 177.087 175.900 0.115 0.000 1.225 743 Y CA -1.002 57.286 58.100 0.314 0.000 1.499 743 Y CB 0.017 38.574 38.460 0.162 0.000 1.288 743 Y HN 0.093 nan 8.280 nan 0.000 0.575 744 L N 1.235 122.652 121.223 0.324 0.000 2.141 744 L HA -0.075 4.254 4.340 -0.019 0.000 0.209 744 L C 1.076 177.989 176.870 0.071 0.000 1.094 744 L CA 1.364 56.308 54.840 0.174 0.000 0.763 744 L CB -0.612 41.536 42.059 0.148 0.000 0.908 744 L HN 0.854 nan 8.230 nan 0.000 0.437 745 E N 0.798 121.026 120.200 0.047 0.000 2.130 745 E HA 0.140 4.479 4.350 -0.019 0.000 0.284 745 E C -0.021 176.554 176.600 -0.042 0.000 1.018 745 E CA -0.276 56.096 56.400 -0.046 0.000 0.817 745 E CB 0.947 30.570 29.700 -0.127 0.000 1.078 745 E HN 0.243 nan 8.360 nan 0.000 0.396 746 T N 1.540 116.086 114.554 -0.015 0.000 2.698 746 T HA 0.110 4.448 4.350 -0.019 0.000 0.295 746 T C 0.629 175.203 174.700 -0.210 0.000 1.007 746 T CA -0.565 61.524 62.100 -0.018 0.000 0.980 746 T CB 0.377 69.296 68.868 0.085 0.000 1.036 746 T HN 0.438 nan 8.240 nan 0.000 0.526 747 H N -0.007 118.972 119.070 -0.152 0.000 2.897 747 H HA 0.358 4.903 4.556 -0.019 0.000 0.347 747 H C 0.323 175.623 175.328 -0.048 0.000 1.068 747 H CA 0.234 56.197 56.048 -0.140 0.000 1.426 747 H CB 0.140 29.853 29.762 -0.082 0.000 1.410 747 H HN 0.926 nan 8.280 nan 0.000 0.597 748 C N 1.115 120.454 119.300 0.065 0.000 3.241 748 C HA 0.576 5.025 4.460 -0.019 0.000 0.348 748 C C -0.324 174.712 174.990 0.077 0.000 1.180 748 C CA -0.947 58.117 59.018 0.077 0.000 1.273 748 C CB 1.134 28.912 27.740 0.064 0.000 1.620 748 C HN 0.762 nan 8.230 nan 0.000 0.510 749 T N 2.238 116.845 114.554 0.089 0.000 2.933 749 T HA 0.658 4.996 4.350 -0.019 0.000 0.305 749 T C -0.838 173.924 174.700 0.103 0.000 1.092 749 T CA -0.267 61.889 62.100 0.093 0.000 1.008 749 T CB 1.260 70.172 68.868 0.074 0.000 1.102 749 T HN 0.685 nan 8.240 nan 0.000 0.469 750 I N 2.295 122.954 120.570 0.149 0.000 2.404 750 I HA 0.699 4.858 4.170 -0.019 0.000 0.293 750 I C 0.021 176.249 176.117 0.184 0.000 0.992 750 I CA -0.886 60.515 61.300 0.168 0.000 1.149 750 I CB 1.577 39.714 38.000 0.229 0.000 1.315 750 I HN 0.684 nan 8.210 nan 0.000 0.446 751 A N 7.715 130.610 122.820 0.125 0.000 2.330 751 A HA 0.773 5.082 4.320 -0.019 0.000 0.313 751 A C -0.774 176.870 177.584 0.099 0.000 1.124 751 A CA -0.465 51.628 52.037 0.093 0.000 0.774 751 A CB 0.805 19.840 19.000 0.059 0.000 1.198 751 A HN 0.514 nan 8.150 nan 0.000 0.465 752 I N 4.576 125.203 120.570 0.095 0.000 2.359 752 I HA 0.329 4.488 4.170 -0.019 0.000 0.284 752 I C -2.481 173.639 176.117 0.005 0.000 1.018 752 I CA -2.710 58.628 61.300 0.062 0.000 1.173 752 I CB 1.098 39.179 38.000 0.135 0.000 1.326 752 I HN 0.353 nan 8.210 nan 0.000 0.462 753 P HA 0.263 nan 4.420 nan 0.000 0.286 753 P C 0.116 177.386 177.300 -0.050 0.000 1.269 753 P CA -0.458 62.634 63.100 -0.012 0.000 0.787 753 P CB 1.596 33.296 31.700 0.000 0.000 0.920 754 K N 2.254 122.632 120.400 -0.036 0.000 2.186 754 K HA 0.099 4.408 4.320 -0.019 0.000 0.202 754 K C 1.499 178.068 176.600 -0.052 0.000 1.052 754 K CA 1.059 57.316 56.287 -0.050 0.000 0.965 754 K CB -0.758 31.722 32.500 -0.032 0.000 0.746 754 K HN 0.828 nan 8.250 nan 0.000 0.457 755 G N 1.552 110.332 108.800 -0.034 0.000 2.175 755 G HA2 -0.231 3.718 3.960 -0.019 0.000 0.244 755 G HA3 -0.231 3.718 3.960 -0.019 0.000 0.244 755 G C -0.324 174.563 174.900 -0.022 0.000 0.982 755 G CA -0.033 45.045 45.100 -0.036 0.000 0.641 755 G HN 0.343 nan 8.290 nan 0.000 0.527 756 E N 0.330 120.521 120.200 -0.014 0.000 2.176 756 E HA 0.488 4.827 4.350 -0.019 0.000 0.267 756 E C 0.354 176.956 176.600 0.003 0.000 0.893 756 E CA -0.798 55.597 56.400 -0.007 0.000 0.761 756 E CB 0.962 30.655 29.700 -0.011 0.000 1.133 756 E HN 0.151 nan 8.360 nan 0.000 0.409 757 E N 1.395 121.600 120.200 0.009 0.000 3.065 757 E HA -0.283 4.056 4.350 -0.019 0.000 0.277 757 E C 0.671 177.283 176.600 0.020 0.000 1.008 757 E CA 1.208 57.615 56.400 0.012 0.000 0.864 757 E CB -1.369 28.333 29.700 0.004 0.000 1.439 757 E HN 1.126 nan 8.360 nan 0.000 0.445 758 G N 0.149 108.970 108.800 0.036 0.000 2.159 758 G HA2 -0.350 3.599 3.960 -0.019 0.000 0.256 758 G HA3 -0.350 3.599 3.960 -0.019 0.000 0.256 758 G C 0.062 174.982 174.900 0.033 0.000 0.977 758 G CA 0.560 45.692 45.100 0.054 0.000 0.652 758 G HN 0.364 nan 8.290 nan 0.000 0.531 759 E N -0.253 119.957 120.200 0.015 0.000 2.414 759 E HA 0.441 4.779 4.350 -0.019 0.000 0.263 759 E C 0.334 176.935 176.600 0.001 0.000 1.000 759 E CA 0.483 56.883 56.400 0.001 0.000 0.914 759 E CB 0.702 30.398 29.700 -0.008 0.000 0.948 759 E HN 0.460 nan 8.360 nan 0.000 0.444 760 M N 2.519 122.113 119.600 -0.010 0.000 2.378 760 M HA 0.222 4.691 4.480 -0.019 0.000 0.289 760 M C -1.603 174.668 176.300 -0.049 0.000 1.136 760 M CA -0.455 54.836 55.300 -0.015 0.000 0.917 760 M CB 2.193 34.796 32.600 0.004 0.000 1.669 760 M HN 0.418 nan 8.290 nan 0.000 0.461 761 E N 3.950 124.110 120.200 -0.067 0.000 2.176 761 E HA 0.615 4.954 4.350 -0.019 0.000 0.267 761 E C -2.072 174.398 176.600 -0.217 0.000 0.893 761 E CA -0.614 55.688 56.400 -0.163 0.000 0.761 761 E CB 1.474 31.081 29.700 -0.155 0.000 1.133 761 E HN 0.597 nan 8.360 nan 0.000 0.409 762 L N 4.423 125.461 121.223 -0.308 0.000 2.365 762 L HA 0.499 4.827 4.340 -0.019 0.000 0.273 762 L C -1.082 175.539 176.870 -0.415 0.000 1.000 762 L CA -0.448 54.257 54.840 -0.225 0.000 0.819 762 L CB 1.286 43.291 42.059 -0.090 0.000 1.284 762 L HN 0.523 nan 8.230 nan 0.000 0.418 763 F N 2.549 122.507 119.950 0.015 0.000 2.388 763 F HA 0.691 5.206 4.527 -0.019 0.000 0.358 763 F C -0.161 175.641 175.800 0.004 0.000 1.122 763 F CA -0.859 57.145 58.000 0.007 0.000 1.056 763 F CB 1.574 40.581 39.000 0.012 0.000 1.155 763 F HN 0.017 nan 8.300 nan 0.000 0.461 764 V N 1.687 121.672 119.914 0.118 0.000 2.709 764 V HA 0.306 4.415 4.120 -0.019 0.000 0.308 764 V C -0.234 175.877 176.094 0.028 0.000 1.062 764 V CA -1.001 61.334 62.300 0.058 0.000 0.901 764 V CB 2.108 33.938 31.823 0.012 0.000 1.003 764 V HN 0.674 nan 8.190 nan 0.000 0.425 765 S N 2.956 118.659 115.700 0.005 0.000 3.530 765 S HA 0.399 4.857 4.470 -0.019 0.000 0.279 765 S C -0.057 174.479 174.600 -0.106 0.000 1.280 765 S CA 0.053 58.216 58.200 -0.060 0.000 0.946 765 S CB -0.448 62.688 63.200 -0.107 0.000 1.501 765 S HN 0.947 nan 8.310 nan 0.000 0.498 766 T N 2.895 117.400 114.554 -0.081 0.000 2.916 766 T HA 0.348 4.687 4.350 -0.019 0.000 0.305 766 T C 0.429 175.080 174.700 -0.081 0.000 1.119 766 T CA -0.552 61.499 62.100 -0.081 0.000 1.008 766 T CB 1.657 70.497 68.868 -0.047 0.000 1.129 766 T HN 0.514 nan 8.240 nan 0.000 0.480 767 Q N 1.666 121.422 119.800 -0.073 0.000 2.425 767 Q HA 0.212 4.541 4.340 -0.019 0.000 0.204 767 Q C 0.196 176.182 176.000 -0.024 0.000 0.933 767 Q CA 0.175 55.950 55.803 -0.047 0.000 0.939 767 Q CB 0.258 28.981 28.738 -0.025 0.000 1.044 767 Q HN 0.315 nan 8.270 nan 0.000 0.513 768 N N -0.239 118.434 118.700 -0.044 0.000 2.752 768 N HA 0.260 4.989 4.740 -0.019 0.000 0.260 768 N C -0.229 175.227 175.510 -0.091 0.000 1.562 768 N CA -0.028 52.987 53.050 -0.059 0.000 0.788 768 N CB 0.849 39.290 38.487 -0.076 0.000 1.192 768 N HN 0.092 nan 8.380 nan 0.000 0.503 769 A N 2.382 125.158 122.820 -0.074 0.000 1.940 769 A HA -0.176 4.132 4.320 -0.019 0.000 0.219 769 A C 2.133 179.660 177.584 -0.095 0.000 1.176 769 A CA 1.222 53.210 52.037 -0.081 0.000 0.631 769 A CB -0.319 18.638 19.000 -0.071 0.000 0.814 769 A HN 0.655 nan 8.150 nan 0.000 0.446 770 M N -0.978 118.570 119.600 -0.088 0.000 2.067 770 M HA -0.165 4.304 4.480 -0.019 0.000 0.260 770 M C 1.788 177.991 176.300 -0.161 0.000 1.069 770 M CA 1.889 57.134 55.300 -0.093 0.000 1.117 770 M CB -0.163 32.400 32.600 -0.062 0.000 1.334 770 M HN 0.164 nan 8.290 nan 0.000 0.407 771 K N -0.363 119.884 120.400 -0.255 0.000 2.155 771 K HA -0.034 4.275 4.320 -0.019 0.000 0.203 771 K C 1.862 178.128 176.600 -0.558 0.000 1.052 771 K CA 1.657 57.629 56.287 -0.525 0.000 0.948 771 K CB -0.663 31.412 32.500 -0.708 0.000 0.728 771 K HN 0.441 nan 8.250 nan 0.000 0.448 772 T N 1.765 116.134 114.554 -0.308 0.000 2.684 772 T HA -0.207 4.131 4.350 -0.019 0.000 0.267 772 T C 1.928 176.572 174.700 -0.093 0.000 1.036 772 T CA 1.469 63.467 62.100 -0.169 0.000 1.148 772 T CB -0.099 68.708 68.868 -0.102 0.000 0.863 772 T HN 0.350 nan 8.240 nan 0.000 0.436 773 Q N 0.768 120.511 119.800 -0.094 0.000 2.050 773 Q HA -0.157 4.171 4.340 -0.019 0.000 0.202 773 Q C 2.548 178.537 176.000 -0.019 0.000 0.980 773 Q CA 2.023 57.793 55.803 -0.054 0.000 0.840 773 Q CB -0.187 28.515 28.738 -0.060 0.000 0.898 773 Q HN 0.662 nan 8.270 nan 0.000 0.424 774 S N -0.540 115.145 115.700 -0.024 0.000 2.387 774 S HA -0.087 4.372 4.470 -0.019 0.000 0.226 774 S C 1.768 176.491 174.600 0.205 0.000 1.026 774 S CA 0.704 58.937 58.200 0.056 0.000 0.972 774 S CB -0.496 62.729 63.200 0.043 0.000 0.814 774 S HN 0.341 nan 8.310 nan 0.000 0.477 775 F N 2.007 121.924 119.950 -0.055 0.000 2.186 775 F HA 0.122 4.638 4.527 -0.019 0.000 0.299 775 F C 2.635 178.392 175.800 -0.072 0.000 1.090 775 F CA -0.434 57.528 58.000 -0.063 0.000 1.307 775 F CB -1.254 37.709 39.000 -0.061 0.000 1.019 775 F HN 0.088 nan 8.300 nan 0.000 0.489 776 V N 0.108 120.099 119.914 0.128 0.000 2.295 776 V HA -0.284 3.825 4.120 -0.019 0.000 0.246 776 V C 2.664 178.757 176.094 -0.003 0.000 1.049 776 V CA 1.707 64.027 62.300 0.033 0.000 1.024 776 V CB -1.396 30.434 31.823 0.011 0.000 0.648 776 V HN 0.310 nan 8.190 nan 0.000 0.447 777 A N -0.317 122.507 122.820 0.008 0.000 1.908 777 A HA -0.293 4.016 4.320 -0.019 0.000 0.218 777 A C 2.363 179.928 177.584 -0.031 0.000 1.181 777 A CA 2.316 54.344 52.037 -0.015 0.000 0.627 777 A CB -0.519 18.477 19.000 -0.006 0.000 0.818 777 A HN 0.517 nan 8.150 nan 0.000 0.445 778 K N -0.991 119.401 120.400 -0.012 0.000 2.057 778 K HA -0.110 4.199 4.320 -0.019 0.000 0.207 778 K C 2.144 178.693 176.600 -0.083 0.000 1.049 778 K CA 1.533 57.793 56.287 -0.044 0.000 0.931 778 K CB -0.235 32.238 32.500 -0.044 0.000 0.714 778 K HN 0.547 nan 8.250 nan 0.000 0.440 779 M N 0.773 120.318 119.600 -0.092 0.000 2.117 779 M HA -0.150 4.318 4.480 -0.019 0.000 0.262 779 M C 1.711 177.916 176.300 -0.158 0.000 1.065 779 M CA 1.498 56.722 55.300 -0.126 0.000 1.114 779 M CB 0.000 32.522 32.600 -0.130 0.000 1.361 779 M HN 0.182 nan 8.290 nan 0.000 0.408 780 L N -0.163 120.960 121.223 -0.166 0.000 2.313 780 L HA 0.060 4.389 4.340 -0.019 0.000 0.214 780 L C 1.310 178.052 176.870 -0.214 0.000 1.119 780 L CA 0.588 55.270 54.840 -0.262 0.000 0.809 780 L CB -0.726 41.207 42.059 -0.210 0.000 0.933 780 L HN 0.666 nan 8.230 nan 0.000 0.449 781 G N 1.098 109.820 108.800 -0.131 0.000 2.246 781 G HA2 -0.221 3.728 3.960 -0.019 0.000 0.273 781 G HA3 -0.221 3.728 3.960 -0.019 0.000 0.273 781 G C 0.071 174.930 174.900 -0.067 0.000 1.055 781 G CA 0.333 45.379 45.100 -0.090 0.000 0.851 781 G HN 0.306 nan 8.290 nan 0.000 0.500 782 V N -3.600 116.278 119.914 -0.060 0.000 2.919 782 V HA 0.947 5.056 4.120 -0.019 0.000 0.316 782 V C -1.977 174.100 176.094 -0.028 0.000 1.077 782 V CA -2.947 59.331 62.300 -0.037 0.000 0.977 782 V CB 1.910 33.715 31.823 -0.030 0.000 1.039 782 V HN 0.050 nan 8.190 nan 0.000 0.441 783 P HA 0.208 nan 4.420 nan 0.000 0.267 783 P C 1.004 178.293 177.300 -0.018 0.000 1.200 783 P CA -0.086 63.003 63.100 -0.018 0.000 0.772 783 P CB 0.804 32.494 31.700 -0.016 0.000 0.855 784 V N 1.805 121.709 119.914 -0.017 0.000 2.469 784 V HA -0.263 3.846 4.120 -0.019 0.000 0.251 784 V C 1.973 178.055 176.094 -0.020 0.000 1.064 784 V CA 2.302 64.592 62.300 -0.018 0.000 1.066 784 V CB -1.406 30.407 31.823 -0.017 0.000 0.667 784 V HN 0.694 nan 8.190 nan 0.000 0.461 785 N N 0.835 119.524 118.700 -0.019 0.000 2.513 785 N HA -0.206 4.523 4.740 -0.019 0.000 0.187 785 N C 1.547 177.046 175.510 -0.018 0.000 1.056 785 N CA 1.076 54.115 53.050 -0.018 0.000 0.907 785 N CB -0.434 38.044 38.487 -0.015 0.000 0.954 785 N HN 0.331 nan 8.380 nan 0.000 0.445 786 R N -0.229 120.260 120.500 -0.018 0.000 2.276 786 R HA 0.219 4.548 4.340 -0.019 0.000 0.196 786 R C -0.014 176.273 176.300 -0.022 0.000 0.961 786 R CA 0.048 56.138 56.100 -0.016 0.000 1.024 786 R CB 0.201 30.495 30.300 -0.010 0.000 0.940 786 R HN 0.282 nan 8.270 nan 0.000 0.480 787 I N 1.929 122.482 120.570 -0.028 0.000 2.354 787 I HA 0.246 4.405 4.170 -0.019 0.000 0.292 787 I C -0.406 175.679 176.117 -0.054 0.000 0.989 787 I CA -1.546 59.731 61.300 -0.038 0.000 1.188 787 I CB 1.442 39.423 38.000 -0.033 0.000 1.342 787 I HN -0.162 nan 8.210 nan 0.000 0.457 788 L N 8.540 129.717 121.223 -0.076 0.000 2.325 788 L HA 0.602 4.931 4.340 -0.019 0.000 0.281 788 L C -0.855 175.927 176.870 -0.146 0.000 1.004 788 L CA -0.381 54.398 54.840 -0.101 0.000 0.823 788 L CB 1.667 43.662 42.059 -0.107 0.000 1.236 788 L HN 0.274 nan 8.230 nan 0.000 0.415 789 V N 5.955 125.790 119.914 -0.131 0.000 2.459 789 V HA 0.626 4.735 4.120 -0.019 0.000 0.295 789 V C -0.078 175.923 176.094 -0.155 0.000 1.029 789 V CA -0.621 61.589 62.300 -0.149 0.000 0.874 789 V CB 1.700 33.461 31.823 -0.103 0.000 0.985 789 V HN 0.715 nan 8.190 nan 0.000 0.438 790 R N 3.122 123.500 120.500 -0.202 0.000 2.534 790 R HA 0.788 5.116 4.340 -0.019 0.000 0.301 790 R C -1.615 174.662 176.300 -0.038 0.000 0.961 790 R CA -0.669 55.347 56.100 -0.139 0.000 0.871 790 R CB 2.455 32.623 30.300 -0.221 0.000 1.170 790 R HN 0.504 nan 8.270 nan 0.000 0.446 791 V N 3.590 123.493 119.914 -0.017 0.000 2.419 791 V HA 0.171 4.279 4.120 -0.019 0.000 0.287 791 V C 0.715 176.816 176.094 0.012 0.000 1.017 791 V CA -0.647 61.654 62.300 0.003 0.000 0.844 791 V CB 1.396 33.200 31.823 -0.032 0.000 1.011 791 V HN 0.799 nan 8.190 nan 0.000 0.429 792 K N 4.276 124.696 120.400 0.034 0.000 2.021 792 K HA 0.170 4.479 4.320 -0.019 0.000 0.205 792 K C 0.746 177.344 176.600 -0.004 0.000 1.047 792 K CA 0.984 57.277 56.287 0.010 0.000 0.943 792 K CB 0.365 32.862 32.500 -0.005 0.000 0.725 792 K HN 0.796 nan 8.250 nan 0.000 0.439 793 R N -1.036 119.441 120.500 -0.038 0.000 2.712 793 R HA 0.330 4.659 4.340 -0.019 0.000 0.272 793 R C -1.516 174.778 176.300 -0.011 0.000 1.032 793 R CA -0.871 55.197 56.100 -0.053 0.000 0.874 793 R CB 0.771 30.996 30.300 -0.126 0.000 1.256 793 R HN -0.089 nan 8.270 nan 0.000 0.468 794 M N 0.758 120.362 119.600 0.006 0.000 2.456 794 M HA 0.396 4.865 4.480 -0.019 0.000 0.324 794 M C 0.538 176.920 176.300 0.135 0.000 1.124 794 M CA -0.724 54.594 55.300 0.029 0.000 0.959 794 M CB 2.384 34.919 32.600 -0.108 0.000 1.692 794 M HN 0.930 nan 8.290 nan 0.000 0.444 795 G N 1.761 110.657 108.800 0.159 0.000 3.316 795 G HA2 0.482 4.431 3.960 -0.019 0.000 0.255 795 G HA3 0.482 4.431 3.960 -0.019 0.000 0.255 795 G C 0.397 175.314 174.900 0.027 0.000 0.880 795 G CA 0.278 45.415 45.100 0.061 0.000 1.956 795 G HN 1.105 nan 8.290 nan 0.000 0.634 796 G N -1.160 107.607 108.800 -0.056 0.000 2.719 796 G HA2 0.345 4.294 3.960 -0.019 0.000 0.686 796 G HA3 0.345 4.294 3.960 -0.019 0.000 0.686 796 G C 0.553 175.274 174.900 -0.298 0.000 1.201 796 G CA -0.331 44.625 45.100 -0.240 0.000 0.768 796 G HN 1.228 nan 8.290 nan 0.000 0.629 797 G N -0.620 107.828 108.800 -0.587 0.000 2.645 797 G HA2 0.545 4.494 3.960 -0.019 0.000 0.208 797 G HA3 0.545 4.494 3.960 -0.019 0.000 0.208 797 G C 0.842 175.685 174.900 -0.095 0.000 1.264 797 G CA 0.813 45.730 45.100 -0.305 0.000 0.586 797 G HN 1.733 nan 8.290 nan 0.000 0.952 798 F N 0.869 120.845 119.950 0.044 0.000 3.069 798 F HA -0.194 4.322 4.527 -0.018 0.000 0.285 798 F C 1.956 177.781 175.800 0.041 0.000 0.827 798 F CA 0.978 58.999 58.000 0.034 0.000 1.108 798 F CB -1.475 37.495 39.000 -0.051 0.000 1.252 798 F HN 1.162 nan 8.300 nan 0.000 0.483 799 G N -1.073 107.802 108.800 0.125 0.000 2.258 799 G HA2 -0.212 3.737 3.960 -0.019 0.000 0.233 799 G HA3 -0.212 3.737 3.960 -0.019 0.000 0.233 799 G C 1.124 176.042 174.900 0.030 0.000 1.006 799 G CA 0.112 45.317 45.100 0.175 0.000 0.620 799 G HN 1.234 nan 8.290 nan 0.000 0.511 800 G N -0.016 108.551 108.800 -0.389 0.000 2.679 800 G HA2 0.227 4.176 3.960 -0.019 0.000 0.212 800 G HA3 0.227 4.176 3.960 -0.019 0.000 0.212 800 G C 1.159 175.995 174.900 -0.106 0.000 1.137 800 G CA 1.298 45.957 45.100 -0.735 0.000 0.787 800 G HN 0.521 nan 8.290 nan 0.000 0.534 801 K N -0.257 120.078 120.400 -0.108 0.000 2.478 801 K HA 0.187 4.496 4.320 -0.019 0.000 0.205 801 K C 1.401 177.999 176.600 -0.004 0.000 1.033 801 K CA -0.124 56.125 56.287 -0.064 0.000 1.091 801 K CB 0.733 33.069 32.500 -0.273 0.000 0.844 801 K HN 0.320 nan 8.250 nan 0.000 0.507 802 E N 0.859 121.086 120.200 0.045 0.000 2.107 802 E HA -0.130 4.208 4.350 -0.019 0.000 0.191 802 E C 1.338 177.976 176.600 0.064 0.000 0.982 802 E CA 1.824 58.270 56.400 0.077 0.000 0.809 802 E CB 0.431 30.225 29.700 0.157 0.000 0.756 802 E HN 0.284 nan 8.360 nan 0.000 0.459 803 T N -2.982 111.628 114.554 0.092 0.000 3.105 803 T HA 0.194 4.533 4.350 -0.019 0.000 0.257 803 T C 1.586 176.336 174.700 0.084 0.000 0.949 803 T CA -0.577 61.566 62.100 0.071 0.000 0.959 803 T CB -0.078 68.868 68.868 0.130 0.000 1.205 803 T HN -0.090 nan 8.240 nan 0.000 0.496 804 R N 2.692 123.254 120.500 0.103 0.000 2.316 804 R HA 0.178 4.506 4.340 -0.019 0.000 0.202 804 R C 2.560 178.815 176.300 -0.074 0.000 1.029 804 R CA 1.040 57.165 56.100 0.042 0.000 1.018 804 R CB -1.090 29.235 30.300 0.041 0.000 0.888 804 R HN 0.741 nan 8.270 nan 0.000 0.471 805 S N 0.300 116.040 115.700 0.066 0.000 2.442 805 S HA -0.155 4.303 4.470 -0.019 0.000 0.236 805 S C 1.939 176.558 174.600 0.032 0.000 1.007 805 S CA 1.571 59.844 58.200 0.122 0.000 0.965 805 S CB -0.618 62.692 63.200 0.183 0.000 0.773 805 S HN 0.459 nan 8.310 nan 0.000 0.504 806 T N 0.804 115.381 114.554 0.038 0.000 2.962 806 T HA 0.132 4.470 4.350 -0.019 0.000 0.270 806 T C 1.735 176.467 174.700 0.055 0.000 1.088 806 T CA 0.745 62.894 62.100 0.081 0.000 1.127 806 T CB -0.801 68.204 68.868 0.229 0.000 0.883 806 T HN 0.397 nan 8.240 nan 0.000 0.493 807 L N 0.555 121.783 121.223 0.008 0.000 2.013 807 L HA -0.097 4.231 4.340 -0.019 0.000 0.212 807 L C 2.890 179.745 176.870 -0.024 0.000 1.073 807 L CA 1.268 56.094 54.840 -0.023 0.000 0.753 807 L CB -0.709 41.324 42.059 -0.043 0.000 0.890 807 L HN 0.227 nan 8.230 nan 0.000 0.432 808 V N -1.355 118.546 119.914 -0.022 0.000 2.346 808 V HA -0.179 3.930 4.120 -0.019 0.000 0.244 808 V C 2.518 178.631 176.094 0.030 0.000 1.037 808 V CA 1.695 64.006 62.300 0.020 0.000 1.029 808 V CB -0.069 31.779 31.823 0.042 0.000 0.663 808 V HN 0.335 nan 8.190 nan 0.000 0.454 809 S N 0.271 115.990 115.700 0.031 0.000 2.370 809 S HA -0.182 4.277 4.470 -0.019 0.000 0.226 809 S C 2.016 176.627 174.600 0.018 0.000 1.033 809 S CA 1.640 59.859 58.200 0.032 0.000 1.011 809 S CB -0.280 62.937 63.200 0.028 0.000 0.852 809 S HN 0.372 nan 8.310 nan 0.000 0.457 810 V N 1.847 121.762 119.914 0.001 0.000 2.358 810 V HA -0.142 3.967 4.120 -0.019 0.000 0.246 810 V C 2.621 178.670 176.094 -0.075 0.000 1.047 810 V CA 1.534 63.810 62.300 -0.040 0.000 1.035 810 V CB -1.210 30.572 31.823 -0.069 0.000 0.658 810 V HN 0.532 nan 8.190 nan 0.000 0.452 811 A N -0.066 122.707 122.820 -0.078 0.000 1.877 811 A HA -0.161 4.148 4.320 -0.019 0.000 0.216 811 A C 2.386 180.019 177.584 0.082 0.000 1.186 811 A CA 2.126 54.167 52.037 0.006 0.000 0.620 811 A CB -0.695 18.358 19.000 0.089 0.000 0.822 811 A HN 0.332 nan 8.150 nan 0.000 0.443 812 V N -0.122 119.828 119.914 0.061 0.000 2.358 812 V HA -0.224 3.885 4.120 -0.019 0.000 0.246 812 V C 3.047 179.178 176.094 0.060 0.000 1.047 812 V CA 1.788 64.126 62.300 0.063 0.000 1.035 812 V CB -1.261 30.597 31.823 0.059 0.000 0.658 812 V HN 0.622 nan 8.190 nan 0.000 0.452 813 A N 0.057 122.905 122.820 0.048 0.000 1.908 813 A HA -0.243 4.066 4.320 -0.019 0.000 0.218 813 A C 2.186 179.822 177.584 0.087 0.000 1.181 813 A CA 2.268 54.337 52.037 0.052 0.000 0.627 813 A CB -0.640 18.374 19.000 0.023 0.000 0.818 813 A HN 0.460 nan 8.150 nan 0.000 0.445 814 L N -0.241 121.029 121.223 0.079 0.000 2.042 814 L HA -0.102 4.227 4.340 -0.019 0.000 0.210 814 L C 2.683 179.658 176.870 0.175 0.000 1.076 814 L CA 2.316 57.239 54.840 0.138 0.000 0.749 814 L CB -0.843 41.302 42.059 0.144 0.000 0.893 814 L HN 0.356 nan 8.230 nan 0.000 0.432 815 A N -0.535 122.354 122.820 0.115 0.000 1.902 815 A HA -0.120 4.189 4.320 -0.019 0.000 0.217 815 A C 2.459 180.078 177.584 0.057 0.000 1.181 815 A CA 1.943 54.018 52.037 0.064 0.000 0.623 815 A CB -1.213 17.807 19.000 0.034 0.000 0.818 815 A HN 0.594 nan 8.150 nan 0.000 0.443 816 A N -1.262 121.603 122.820 0.075 0.000 1.877 816 A HA -0.119 4.190 4.320 -0.019 0.000 0.216 816 A C 2.160 179.791 177.584 0.079 0.000 1.186 816 A CA 1.732 53.811 52.037 0.069 0.000 0.620 816 A CB -0.914 18.126 19.000 0.067 0.000 0.822 816 A HN 0.831 nan 8.150 nan 0.000 0.443 817 Y N 0.495 120.801 120.300 0.010 0.000 2.128 817 Y HA -0.212 4.326 4.550 -0.019 0.000 0.284 817 Y C 2.353 178.260 175.900 0.011 0.000 1.154 817 Y CA 2.471 60.576 58.100 0.008 0.000 1.149 817 Y CB -0.144 38.319 38.460 0.006 0.000 0.976 817 Y HN 0.186 nan 8.280 nan 0.000 0.505 818 K N -0.134 120.221 120.400 -0.075 0.000 2.057 818 K HA -0.129 4.180 4.320 -0.019 0.000 0.206 818 K C 2.020 178.523 176.600 -0.163 0.000 1.050 818 K CA 1.998 58.183 56.287 -0.170 0.000 0.935 818 K CB -0.549 31.968 32.500 0.029 0.000 0.715 818 K HN 0.607 nan 8.250 nan 0.000 0.439 819 T N -3.634 110.872 114.554 -0.081 0.000 3.035 819 T HA 0.122 4.460 4.350 -0.019 0.000 0.259 819 T C 1.442 176.186 174.700 0.073 0.000 1.078 819 T CA 1.013 63.089 62.100 -0.041 0.000 1.132 819 T CB -0.005 68.811 68.868 -0.086 0.000 0.900 819 T HN 0.341 nan 8.240 nan 0.000 0.480 820 G N 1.124 109.933 108.800 0.014 0.000 2.162 820 G HA2 -0.234 3.715 3.960 -0.019 0.000 0.260 820 G HA3 -0.234 3.715 3.960 -0.019 0.000 0.260 820 G C -0.128 174.789 174.900 0.027 0.000 0.976 820 G CA 0.419 45.520 45.100 0.003 0.000 0.655 820 G HN 0.772 nan 8.290 nan 0.000 0.533 821 H N 0.702 119.727 119.070 -0.076 0.000 2.502 821 H HA 0.547 5.091 4.556 -0.019 0.000 0.338 821 H C -2.227 173.061 175.328 -0.066 0.000 1.155 821 H CA -1.935 54.069 56.048 -0.072 0.000 1.237 821 H CB 1.030 30.757 29.762 -0.057 0.000 1.534 821 H HN 0.056 nan 8.280 nan 0.000 0.523 822 P HA 0.030 nan 4.420 nan 0.000 0.266 822 P C -0.848 176.466 177.300 0.023 0.000 1.195 822 P CA 0.187 63.309 63.100 0.036 0.000 0.768 822 P CB 0.619 32.367 31.700 0.079 0.000 0.838 823 V N 3.746 123.659 119.914 -0.001 0.000 2.925 823 V HA 0.641 4.750 4.120 -0.019 0.000 0.311 823 V C 0.081 176.130 176.094 -0.075 0.000 1.104 823 V CA -0.678 61.579 62.300 -0.072 0.000 0.954 823 V CB 2.261 34.071 31.823 -0.021 0.000 1.022 823 V HN 0.601 nan 8.190 nan 0.000 0.427 824 R N 1.816 122.214 120.500 -0.170 0.000 2.836 824 R HA 0.931 5.260 4.340 -0.019 0.000 0.269 824 R C -1.453 174.876 176.300 0.048 0.000 1.010 824 R CA -0.630 55.437 56.100 -0.055 0.000 0.930 824 R CB 1.871 32.130 30.300 -0.068 0.000 1.218 824 R HN 0.734 nan 8.270 nan 0.000 0.473 825 C N 2.764 122.128 119.300 0.105 0.000 2.701 825 C HA 0.625 5.074 4.460 -0.019 0.000 0.336 825 C C -0.985 174.086 174.990 0.136 0.000 1.123 825 C CA -0.618 58.490 59.018 0.150 0.000 1.326 825 C CB 1.359 29.173 27.740 0.123 0.000 1.833 825 C HN 0.996 nan 8.230 nan 0.000 0.473 826 M N 6.696 126.383 119.600 0.146 0.000 2.311 826 M HA 0.565 5.034 4.480 -0.019 0.000 0.325 826 M C -1.262 175.102 176.300 0.106 0.000 1.061 826 M CA -0.578 54.790 55.300 0.113 0.000 0.957 826 M CB 1.238 33.897 32.600 0.099 0.000 1.646 826 M HN 0.716 nan 8.290 nan 0.000 0.434 827 L N 3.893 125.179 121.223 0.105 0.000 2.426 827 L HA 0.200 4.528 4.340 -0.019 0.000 0.271 827 L C 0.251 177.169 176.870 0.080 0.000 1.169 827 L CA -0.369 54.531 54.840 0.101 0.000 0.836 827 L CB 0.263 42.397 42.059 0.124 0.000 1.112 827 L HN 0.656 nan 8.230 nan 0.000 0.465 828 D N 1.187 121.631 120.400 0.073 0.000 2.357 828 D HA -0.000 4.628 4.640 -0.019 0.000 0.242 828 D C 0.964 177.292 176.300 0.046 0.000 1.153 828 D CA -0.212 53.823 54.000 0.058 0.000 0.918 828 D CB 1.086 41.926 40.800 0.066 0.000 1.181 828 D HN 0.349 nan 8.370 nan 0.000 0.435 829 R N 1.948 122.458 120.500 0.017 0.000 2.103 829 R HA -0.188 4.141 4.340 -0.019 0.000 0.242 829 R C 1.622 177.922 176.300 0.001 0.000 1.142 829 R CA 1.835 57.916 56.100 -0.033 0.000 0.960 829 R CB -0.433 29.823 30.300 -0.073 0.000 0.858 829 R HN 0.550 nan 8.270 nan 0.000 0.439 830 N N 0.434 119.156 118.700 0.037 0.000 2.188 830 N HA -0.185 4.544 4.740 -0.019 0.000 0.184 830 N C 1.196 176.736 175.510 0.049 0.000 1.018 830 N CA 1.802 54.881 53.050 0.048 0.000 0.858 830 N CB -0.405 38.124 38.487 0.069 0.000 0.989 830 N HN 0.482 nan 8.380 nan 0.000 0.426 831 E N 0.325 120.560 120.200 0.058 0.000 2.072 831 E HA -0.160 4.179 4.350 -0.019 0.000 0.191 831 E C 1.418 178.061 176.600 0.072 0.000 0.985 831 E CA 1.015 57.454 56.400 0.064 0.000 0.801 831 E CB -0.100 29.642 29.700 0.070 0.000 0.750 831 E HN 0.423 nan 8.360 nan 0.000 0.452 832 D N 0.733 121.184 120.400 0.085 0.000 2.097 832 D HA -0.140 4.489 4.640 -0.019 0.000 0.195 832 D C 2.031 178.395 176.300 0.107 0.000 0.989 832 D CA 1.082 55.164 54.000 0.138 0.000 0.827 832 D CB 0.072 40.989 40.800 0.195 0.000 0.966 832 D HN 0.137 nan 8.370 nan 0.000 0.456 833 M N -0.068 119.554 119.600 0.036 0.000 2.213 833 M HA -0.155 4.314 4.480 -0.019 0.000 0.263 833 M C 2.309 178.623 176.300 0.023 0.000 1.062 833 M CA 0.732 56.029 55.300 -0.005 0.000 1.105 833 M CB -0.105 32.455 32.600 -0.066 0.000 1.385 833 M HN 0.068 nan 8.290 nan 0.000 0.417 834 L N 0.449 121.695 121.223 0.039 0.000 2.095 834 L HA -0.031 4.298 4.340 -0.019 0.000 0.204 834 L C 1.962 178.877 176.870 0.075 0.000 1.080 834 L CA 1.790 56.662 54.840 0.053 0.000 0.759 834 L CB -0.177 41.913 42.059 0.052 0.000 0.914 834 L HN 0.179 nan 8.230 nan 0.000 0.439 835 I N -1.228 119.387 120.570 0.074 0.000 2.731 835 I HA -0.097 4.061 4.170 -0.019 0.000 0.260 835 I C 1.932 178.086 176.117 0.061 0.000 1.138 835 I CA 1.162 62.505 61.300 0.071 0.000 1.461 835 I CB -0.366 37.672 38.000 0.063 0.000 1.128 835 I HN 0.373 nan 8.210 nan 0.000 0.438 836 T N -1.419 113.179 114.554 0.073 0.000 3.129 836 T HA 0.405 4.743 4.350 -0.019 0.000 0.251 836 T C 0.982 175.770 174.700 0.147 0.000 1.117 836 T CA 0.269 62.404 62.100 0.060 0.000 1.034 836 T CB -0.149 68.736 68.868 0.030 0.000 0.968 836 T HN 0.492 nan 8.240 nan 0.000 0.526 837 G N -0.729 108.163 108.800 0.155 0.000 2.733 837 G HA2 0.366 4.314 3.960 -0.019 0.000 0.686 837 G HA3 0.366 4.314 3.960 -0.019 0.000 0.686 837 G C -0.116 174.943 174.900 0.265 0.000 1.373 837 G CA -0.582 44.620 45.100 0.170 0.000 0.838 837 G HN 1.074 nan 8.290 nan 0.000 0.588 838 G N -0.575 108.335 108.800 0.183 0.000 3.166 838 G HA2 0.776 4.725 3.960 -0.019 0.000 0.267 838 G HA3 0.776 4.725 3.960 -0.019 0.000 0.267 838 G C 0.036 175.044 174.900 0.180 0.000 1.256 838 G CA -0.023 45.160 45.100 0.139 0.000 0.859 838 G HN 0.883 nan 8.290 nan 0.000 0.590 839 R N 0.119 120.741 120.500 0.203 0.000 2.643 839 R HA 0.115 4.444 4.340 -0.019 0.000 0.270 839 R C -0.360 176.014 176.300 0.124 0.000 1.061 839 R CA -0.255 55.952 56.100 0.178 0.000 1.107 839 R CB 0.024 30.245 30.300 -0.132 0.000 0.999 839 R HN 0.582 nan 8.270 nan 0.000 0.460 840 H N 4.734 123.889 119.070 0.141 0.000 2.899 840 H HA 0.107 4.651 4.556 -0.019 0.000 0.303 840 H C -1.929 173.524 175.328 0.209 0.000 1.042 840 H CA -1.554 54.601 56.048 0.178 0.000 1.479 840 H CB 0.837 30.743 29.762 0.240 0.000 1.493 840 H HN 0.424 nan 8.280 nan 0.000 0.534 841 P HA 0.016 nan 4.420 nan 0.000 0.269 841 P C -0.693 176.748 177.300 0.235 0.000 1.209 841 P CA 0.546 63.704 63.100 0.097 0.000 0.776 841 P CB 0.432 32.199 31.700 0.112 0.000 0.876 842 F N 1.557 121.433 119.950 -0.124 0.000 2.551 842 F HA 0.493 5.009 4.527 -0.018 0.000 0.316 842 F C -0.293 175.573 175.800 0.110 0.000 1.089 842 F CA -1.039 57.003 58.000 0.069 0.000 0.915 842 F CB 1.703 40.771 39.000 0.113 0.000 1.186 842 F HN 0.081 nan 8.300 nan 0.000 0.456 843 L N 3.444 124.914 121.223 0.411 0.000 2.346 843 L HA 0.882 5.211 4.340 -0.019 0.000 0.276 843 L C -0.989 176.168 176.870 0.479 0.000 1.006 843 L CA -0.322 54.801 54.840 0.472 0.000 0.817 843 L CB 1.479 43.785 42.059 0.413 0.000 1.272 843 L HN 0.619 nan 8.230 nan 0.000 0.421 844 A N 5.138 128.213 122.820 0.426 0.000 2.355 844 A HA 0.871 5.179 4.320 -0.019 0.000 0.317 844 A C -0.791 177.007 177.584 0.356 0.000 1.094 844 A CA -0.712 51.534 52.037 0.349 0.000 0.764 844 A CB 1.064 20.231 19.000 0.279 0.000 1.230 844 A HN 0.733 nan 8.150 nan 0.000 0.448 845 R N 0.988 121.660 120.500 0.287 0.000 2.437 845 R HA 0.591 4.920 4.340 -0.019 0.000 0.310 845 R C -1.530 174.873 176.300 0.171 0.000 0.955 845 R CA -0.386 55.826 56.100 0.187 0.000 0.851 845 R CB 1.574 31.964 30.300 0.151 0.000 1.161 845 R HN 0.806 nan 8.270 nan 0.000 0.446 846 Y N -0.702 119.636 120.300 0.064 0.000 2.553 846 Y HA 0.664 5.202 4.550 -0.020 0.000 0.347 846 Y C -1.161 174.754 175.900 0.024 0.000 1.019 846 Y CA -1.344 56.777 58.100 0.035 0.000 1.032 846 Y CB 1.910 40.417 38.460 0.079 0.000 1.284 846 Y HN 0.346 nan 8.280 nan 0.000 0.466 847 K N 2.597 123.072 120.400 0.126 0.000 2.535 847 K HA 0.671 4.980 4.320 -0.019 0.000 0.250 847 K C -2.510 174.232 176.600 0.237 0.000 0.948 847 K CA -0.860 55.479 56.287 0.086 0.000 0.796 847 K CB 2.581 35.025 32.500 -0.093 0.000 1.216 847 K HN 0.812 nan 8.250 nan 0.000 0.432 848 V N 3.222 123.287 119.914 0.252 0.000 2.540 848 V HA 0.797 4.906 4.120 -0.019 0.000 0.302 848 V C -0.553 175.779 176.094 0.397 0.000 1.035 848 V CA -0.234 62.155 62.300 0.148 0.000 0.873 848 V CB 1.593 33.298 31.823 -0.196 0.000 0.992 848 V HN 0.858 nan 8.190 nan 0.000 0.428 849 G N 5.961 114.890 108.800 0.216 0.000 2.379 849 G HA2 0.768 4.716 3.960 -0.019 0.000 0.327 849 G HA3 0.768 4.716 3.960 -0.019 0.000 0.327 849 G C -1.206 173.739 174.900 0.075 0.000 1.145 849 G CA -0.527 44.631 45.100 0.097 0.000 0.905 849 G HN 1.065 nan 8.290 nan 0.000 0.466 850 F N 0.302 120.224 119.950 -0.046 0.000 2.686 850 F HA 0.742 5.258 4.527 -0.019 0.000 0.311 850 F C -0.545 175.238 175.800 -0.029 0.000 1.128 850 F CA -1.870 56.096 58.000 -0.058 0.000 0.946 850 F CB 1.299 40.276 39.000 -0.039 0.000 1.336 850 F HN 0.245 nan 8.300 nan 0.000 0.457 851 M N 1.477 121.166 119.600 0.148 0.000 2.283 851 M HA 0.356 4.824 4.480 -0.019 0.000 0.314 851 M C 0.923 177.312 176.300 0.149 0.000 1.153 851 M CA -0.479 54.860 55.300 0.066 0.000 1.084 851 M CB 1.126 33.751 32.600 0.042 0.000 1.468 851 M HN 0.793 nan 8.290 nan 0.000 0.474 852 K N -0.046 120.401 120.400 0.078 0.000 2.360 852 K HA -0.108 4.201 4.320 -0.019 0.000 0.201 852 K C 1.585 178.252 176.600 0.112 0.000 1.046 852 K CA 1.277 57.624 56.287 0.101 0.000 0.945 852 K CB -0.160 32.372 32.500 0.052 0.000 0.750 852 K HN 0.720 nan 8.250 nan 0.000 0.464 853 T N -0.958 113.652 114.554 0.093 0.000 3.088 853 T HA 0.053 4.392 4.350 -0.019 0.000 0.259 853 T C 1.214 175.960 174.700 0.077 0.000 1.122 853 T CA 1.160 63.304 62.100 0.073 0.000 1.095 853 T CB -0.011 68.886 68.868 0.048 0.000 0.930 853 T HN 0.525 nan 8.240 nan 0.000 0.508 854 G N 0.527 109.399 108.800 0.121 0.000 2.194 854 G HA2 -0.211 3.738 3.960 -0.019 0.000 0.236 854 G HA3 -0.211 3.738 3.960 -0.019 0.000 0.236 854 G C 0.298 175.214 174.900 0.026 0.000 0.987 854 G CA 0.230 45.368 45.100 0.063 0.000 0.635 854 G HN 0.598 nan 8.290 nan 0.000 0.520 855 T N 3.122 117.704 114.554 0.046 0.000 2.888 855 T HA 0.453 4.792 4.350 -0.019 0.000 0.301 855 T C 0.913 175.632 174.700 0.032 0.000 1.001 855 T CA 0.080 62.183 62.100 0.004 0.000 1.147 855 T CB 0.924 69.786 68.868 -0.010 0.000 0.931 855 T HN 0.247 nan 8.240 nan 0.000 0.541 856 I N 4.200 124.755 120.570 -0.025 0.000 2.441 856 I HA 0.119 4.278 4.170 -0.019 0.000 0.287 856 I C 1.054 177.115 176.117 -0.093 0.000 1.049 856 I CA -0.089 61.184 61.300 -0.045 0.000 1.381 856 I CB 0.874 38.807 38.000 -0.112 0.000 1.409 856 I HN 0.447 nan 8.210 nan 0.000 0.523 857 V N 4.800 124.640 119.914 -0.123 0.000 3.612 857 V HA 0.418 4.527 4.120 -0.019 0.000 0.268 857 V C 0.499 176.408 176.094 -0.308 0.000 1.365 857 V CA 0.361 62.555 62.300 -0.177 0.000 1.044 857 V CB 0.797 32.536 31.823 -0.139 0.000 0.820 857 V HN 0.872 nan 8.190 nan 0.000 0.444 858 A N 0.722 123.278 122.820 -0.440 0.000 2.540 858 A HA 0.800 5.109 4.320 -0.019 0.000 0.297 858 A C -1.964 175.242 177.584 -0.629 0.000 1.056 858 A CA -0.311 51.292 52.037 -0.723 0.000 0.700 858 A CB 2.104 20.193 19.000 -1.519 0.000 1.280 858 A HN 0.182 nan 8.150 nan 0.000 0.398 859 L N 0.886 121.852 121.223 -0.429 0.000 2.470 859 L HA 0.750 5.079 4.340 -0.019 0.000 0.268 859 L C -0.744 176.093 176.870 -0.054 0.000 0.964 859 L CA 0.055 54.726 54.840 -0.282 0.000 0.839 859 L CB 1.968 43.755 42.059 -0.454 0.000 1.276 859 L HN 0.807 nan 8.230 nan 0.000 0.403 860 E N 3.904 124.159 120.200 0.091 0.000 2.218 860 E HA 0.698 5.037 4.350 -0.019 0.000 0.263 860 E C -1.927 174.721 176.600 0.080 0.000 0.879 860 E CA -0.669 55.801 56.400 0.117 0.000 0.762 860 E CB 1.916 31.729 29.700 0.188 0.000 1.166 860 E HN 0.502 nan 8.360 nan 0.000 0.415 861 V N 4.192 124.143 119.914 0.062 0.000 2.525 861 V HA 0.287 4.396 4.120 -0.019 0.000 0.299 861 V C -0.965 175.098 176.094 -0.053 0.000 1.034 861 V CA -1.030 61.274 62.300 0.007 0.000 0.863 861 V CB 1.897 33.685 31.823 -0.059 0.000 0.999 861 V HN 0.683 nan 8.190 nan 0.000 0.423 862 D N 2.857 123.226 120.400 -0.051 0.000 2.329 862 D HA 0.446 5.075 4.640 -0.019 0.000 0.232 862 D C -0.470 175.738 176.300 -0.155 0.000 1.088 862 D CA -0.183 53.765 54.000 -0.086 0.000 0.835 862 D CB 1.186 41.988 40.800 0.004 0.000 1.078 862 D HN 0.601 nan 8.370 nan 0.000 0.495 863 H N 1.176 120.154 119.070 -0.153 0.000 2.463 863 H HA 0.404 4.949 4.556 -0.019 0.000 0.332 863 H C -0.753 174.311 175.328 -0.438 0.000 1.127 863 H CA -0.362 55.661 56.048 -0.041 0.000 1.238 863 H CB 0.927 30.767 29.762 0.129 0.000 1.478 863 H HN 0.300 nan 8.280 nan 0.000 0.499 864 Y N 0.560 120.888 120.300 0.046 0.000 2.373 864 Y HA 0.332 4.870 4.550 -0.019 0.000 0.336 864 Y C -0.212 175.481 175.900 -0.344 0.000 0.979 864 Y CA -0.939 57.111 58.100 -0.083 0.000 1.080 864 Y CB 1.840 40.332 38.460 0.053 0.000 1.190 864 Y HN 0.652 nan 8.280 nan 0.000 0.446 865 S N 1.640 117.126 115.700 -0.357 0.000 2.565 865 S HA 0.405 4.863 4.470 -0.019 0.000 0.290 865 S C -0.614 173.984 174.600 -0.003 0.000 1.150 865 S CA -0.941 56.978 58.200 -0.469 0.000 1.058 865 S CB 1.531 64.362 63.200 -0.614 0.000 1.032 865 S HN 0.629 nan 8.310 nan 0.000 0.510 866 N N 1.176 119.927 118.700 0.085 0.000 2.469 866 N HA 0.390 5.119 4.740 -0.019 0.000 0.239 866 N C 0.608 176.188 175.510 0.117 0.000 1.053 866 N CA -0.283 52.829 53.050 0.103 0.000 0.937 866 N CB 1.142 39.675 38.487 0.077 0.000 1.163 866 N HN 0.784 nan 8.380 nan 0.000 0.509 867 A N 2.493 125.423 122.820 0.185 0.000 2.081 867 A HA 0.388 4.696 4.320 -0.019 0.000 0.214 867 A C 1.205 178.866 177.584 0.129 0.000 1.158 867 A CA 0.913 53.096 52.037 0.243 0.000 0.724 867 A CB -0.642 18.621 19.000 0.437 0.000 0.826 867 A HN 0.880 nan 8.150 nan 0.000 0.463 868 G N 0.651 109.507 108.800 0.094 0.000 2.593 868 G HA2 -0.282 3.667 3.960 -0.019 0.000 0.237 868 G HA3 -0.282 3.667 3.960 -0.019 0.000 0.237 868 G C 0.217 175.202 174.900 0.141 0.000 1.312 868 G CA 0.261 45.390 45.100 0.049 0.000 0.896 868 G HN 1.080 nan 8.290 nan 0.000 0.574 869 N N 0.360 119.098 118.700 0.064 0.000 2.268 869 N HA 0.314 5.043 4.740 -0.019 0.000 0.204 869 N C 0.551 176.122 175.510 0.102 0.000 1.124 869 N CA 1.204 54.290 53.050 0.060 0.000 0.838 869 N CB 0.073 38.501 38.487 -0.098 0.000 0.994 869 N HN 1.734 nan 8.380 nan 0.000 0.489 870 S N -1.491 114.257 115.700 0.079 0.000 2.625 870 S HA 0.493 4.952 4.470 -0.019 0.000 0.271 870 S C 0.484 174.868 174.600 -0.360 0.000 1.161 870 S CA -0.900 57.249 58.200 -0.086 0.000 0.820 870 S CB 2.000 65.185 63.200 -0.026 0.000 1.137 870 S HN -0.016 nan 8.310 nan 0.000 0.470 871 R N 0.643 120.833 120.500 -0.516 0.000 2.061 871 R HA 0.077 4.406 4.340 -0.019 0.000 0.230 871 R C 0.896 177.183 176.300 -0.023 0.000 1.140 871 R CA 1.646 57.456 56.100 -0.483 0.000 0.940 871 R CB -0.818 29.228 30.300 -0.423 0.000 0.839 871 R HN 0.902 nan 8.270 nan 0.000 0.429 872 D N -1.127 119.379 120.400 0.176 0.000 3.574 872 D HA -0.291 4.338 4.640 -0.019 0.000 0.153 872 D C 0.156 176.680 176.300 0.373 0.000 0.965 872 D CA 2.131 56.296 54.000 0.274 0.000 1.047 872 D CB -0.783 40.140 40.800 0.205 0.000 0.492 872 D HN 0.102 nan 8.370 nan 0.000 0.492 873 L N 0.301 121.718 121.223 0.323 0.000 2.653 873 L HA 0.251 4.579 4.340 -0.019 0.000 0.231 873 L C 1.999 178.955 176.870 0.143 0.000 1.153 873 L CA 0.100 55.142 54.840 0.336 0.000 0.933 873 L CB 0.039 42.350 42.059 0.421 0.000 1.175 873 L HN 0.159 nan 8.230 nan 0.000 0.473 874 S N -0.511 115.263 115.700 0.124 0.000 2.370 874 S HA -0.265 4.194 4.470 -0.019 0.000 0.226 874 S C 1.879 176.422 174.600 -0.095 0.000 1.033 874 S CA 1.624 59.804 58.200 -0.034 0.000 1.011 874 S CB -0.224 63.061 63.200 0.143 0.000 0.852 874 S HN 0.597 nan 8.310 nan 0.000 0.457 875 H N 1.235 120.256 119.070 -0.082 0.000 2.293 875 H HA 0.009 4.554 4.556 -0.018 0.000 0.300 875 H C 2.207 177.511 175.328 -0.040 0.000 1.082 875 H CA 1.960 57.951 56.048 -0.095 0.000 1.308 875 H CB -0.281 29.397 29.762 -0.141 0.000 1.375 875 H HN 0.240 nan 8.280 nan 0.000 0.495 876 S N -0.254 115.564 115.700 0.196 0.000 2.402 876 S HA -0.091 4.367 4.470 -0.019 0.000 0.229 876 S C 2.217 176.907 174.600 0.150 0.000 1.021 876 S CA 1.159 59.536 58.200 0.295 0.000 0.974 876 S CB -0.169 63.367 63.200 0.560 0.000 0.800 876 S HN 0.368 nan 8.310 nan 0.000 0.484 877 I N 0.830 121.216 120.570 -0.307 0.000 2.226 877 I HA -0.215 3.944 4.170 -0.019 0.000 0.245 877 I C 2.459 178.447 176.117 -0.214 0.000 1.100 877 I CA 1.155 62.089 61.300 -0.610 0.000 1.374 877 I CB -0.236 37.261 38.000 -0.839 0.000 1.057 877 I HN 0.295 nan 8.210 nan 0.000 0.413 878 M N 0.754 120.226 119.600 -0.215 0.000 2.175 878 M HA -0.181 4.287 4.480 -0.019 0.000 0.264 878 M C 2.034 178.207 176.300 -0.213 0.000 1.063 878 M CA 1.782 56.980 55.300 -0.170 0.000 1.119 878 M CB -0.460 31.974 32.600 -0.277 0.000 1.377 878 M HN 0.115 nan 8.290 nan 0.000 0.415 879 E N -0.661 119.393 120.200 -0.244 0.000 2.058 879 E HA -0.267 4.071 4.350 -0.019 0.000 0.194 879 E C 2.230 178.708 176.600 -0.204 0.000 0.997 879 E CA 1.452 57.698 56.400 -0.257 0.000 0.801 879 E CB -0.334 29.335 29.700 -0.052 0.000 0.746 879 E HN 0.520 nan 8.360 nan 0.000 0.450 880 R N 0.661 121.249 120.500 0.146 0.000 2.091 880 R HA -0.166 4.163 4.340 -0.019 0.000 0.238 880 R C 2.292 178.732 176.300 0.233 0.000 1.136 880 R CA 1.321 57.640 56.100 0.364 0.000 0.959 880 R CB -0.216 30.317 30.300 0.387 0.000 0.856 880 R HN 0.141 nan 8.270 nan 0.000 0.437 881 A N 1.142 123.978 122.820 0.026 0.000 1.873 881 A HA -0.186 4.123 4.320 -0.019 0.000 0.218 881 A C 2.195 179.733 177.584 -0.077 0.000 1.193 881 A CA 1.551 53.542 52.037 -0.076 0.000 0.629 881 A CB -0.745 18.182 19.000 -0.122 0.000 0.826 881 A HN 0.362 nan 8.150 nan 0.000 0.447 882 L N -1.909 119.210 121.223 -0.173 0.000 2.079 882 L HA -0.172 4.156 4.340 -0.019 0.000 0.210 882 L C 2.410 179.345 176.870 0.108 0.000 1.081 882 L CA 1.279 56.050 54.840 -0.114 0.000 0.752 882 L CB -0.596 41.357 42.059 -0.177 0.000 0.896 882 L HN 0.446 nan 8.230 nan 0.000 0.433 883 F N -1.277 118.716 119.950 0.072 0.000 2.546 883 F HA -0.132 4.383 4.527 -0.019 0.000 0.298 883 F C 2.045 177.869 175.800 0.039 0.000 1.120 883 F CA 0.505 58.429 58.000 -0.126 0.000 1.456 883 F CB -0.025 38.772 39.000 -0.337 0.000 1.088 883 F HN 0.228 nan 8.300 nan 0.000 0.572 884 H N -0.362 118.898 119.070 0.318 0.000 2.784 884 H HA 0.152 4.696 4.556 -0.019 0.000 0.273 884 H C 1.938 177.344 175.328 0.130 0.000 1.112 884 H CA 0.227 56.398 56.048 0.204 0.000 1.162 884 H CB 0.095 29.878 29.762 0.035 0.000 1.586 884 H HN 0.401 nan 8.280 nan 0.000 0.548 885 M N 0.495 120.225 119.600 0.216 0.000 2.549 885 M HA -0.056 4.412 4.480 -0.019 0.000 0.260 885 M C 0.991 177.364 176.300 0.122 0.000 1.076 885 M CA 1.412 56.815 55.300 0.172 0.000 1.090 885 M CB -0.112 32.621 32.600 0.223 0.000 1.418 885 M HN -0.077 nan 8.290 nan 0.000 0.486 886 D N -0.541 119.877 120.400 0.029 0.000 2.333 886 D HA -0.060 4.568 4.640 -0.019 0.000 0.208 886 D C 0.950 177.313 176.300 0.105 0.000 0.984 886 D CA 0.412 54.455 54.000 0.072 0.000 0.873 886 D CB -0.549 40.309 40.800 0.097 0.000 0.935 886 D HN 0.499 nan 8.370 nan 0.000 0.521 887 N N 0.282 119.019 118.700 0.060 0.000 1.238 887 N HA -0.316 4.413 4.740 -0.019 0.000 0.139 887 N C -0.008 175.447 175.510 -0.092 0.000 0.512 887 N CA 2.692 55.710 53.050 -0.054 0.000 1.011 887 N CB -1.277 37.108 38.487 -0.170 0.000 1.386 887 N HN 0.366 nan 8.380 nan 0.000 0.471 888 C N -0.216 118.754 119.300 -0.550 0.000 2.760 888 C HA 0.432 4.881 4.460 -0.019 0.000 0.293 888 C C -0.752 173.807 174.990 -0.718 0.000 1.383 888 C CA -0.515 58.279 59.018 -0.375 0.000 1.771 888 C CB -1.877 25.649 27.740 -0.357 0.000 2.353 888 C HN 0.350 nan 8.230 nan 0.000 0.578 889 Y N 0.526 120.575 120.300 -0.418 0.000 2.393 889 Y HA 0.463 5.002 4.550 -0.019 0.000 0.341 889 Y C 0.192 175.449 175.900 -1.070 0.000 0.988 889 Y CA -1.021 56.700 58.100 -0.633 0.000 1.078 889 Y CB 0.895 39.203 38.460 -0.253 0.000 1.203 889 Y HN -0.161 nan 8.280 nan 0.000 0.453 890 K N 3.732 123.611 120.400 -0.868 0.000 2.312 890 K HA 0.490 4.798 4.320 -0.019 0.000 0.287 890 K C -1.515 174.928 176.600 -0.262 0.000 1.062 890 K CA 0.208 56.110 56.287 -0.641 0.000 0.934 890 K CB -0.007 32.261 32.500 -0.386 0.000 1.027 890 K HN 0.680 nan 8.250 nan 0.000 0.478 891 I N 8.441 128.914 120.570 -0.161 0.000 2.476 891 I HA 0.251 4.410 4.170 -0.019 0.000 0.281 891 I C -1.547 174.520 176.117 -0.083 0.000 1.040 891 I CA -1.885 59.345 61.300 -0.117 0.000 1.094 891 I CB 2.074 40.008 38.000 -0.111 0.000 1.219 891 I HN 0.632 nan 8.210 nan 0.000 0.450 892 P HA -0.056 nan 4.420 nan 0.000 0.219 892 P C -0.277 176.983 177.300 -0.066 0.000 1.150 892 P CA 1.210 64.269 63.100 -0.068 0.000 0.814 892 P CB 0.236 31.889 31.700 -0.078 0.000 0.787 893 N N 0.378 119.012 118.700 -0.109 0.000 2.448 893 N HA 0.449 5.178 4.740 -0.019 0.000 0.279 893 N C -0.836 174.597 175.510 -0.129 0.000 1.025 893 N CA -0.328 52.655 53.050 -0.113 0.000 0.898 893 N CB 2.396 40.785 38.487 -0.164 0.000 1.303 893 N HN 0.078 nan 8.380 nan 0.000 0.495 894 I N 0.859 121.401 120.570 -0.047 0.000 2.722 894 I HA 0.379 4.538 4.170 -0.019 0.000 0.292 894 I C -1.466 174.681 176.117 0.051 0.000 1.267 894 I CA -0.653 60.635 61.300 -0.021 0.000 1.036 894 I CB 2.379 40.374 38.000 -0.008 0.000 1.281 894 I HN 0.351 nan 8.210 nan 0.000 0.423 895 R N 5.295 125.833 120.500 0.063 0.000 2.502 895 R HA 0.646 4.975 4.340 -0.019 0.000 0.298 895 R C -1.311 175.060 176.300 0.119 0.000 1.018 895 R CA -0.552 55.609 56.100 0.103 0.000 0.899 895 R CB 1.893 32.250 30.300 0.095 0.000 1.181 895 R HN 0.789 nan 8.270 nan 0.000 0.444 896 G N 1.952 110.849 108.800 0.163 0.000 2.470 896 G HA2 0.468 4.417 3.960 -0.019 0.000 0.320 896 G HA3 0.468 4.417 3.960 -0.019 0.000 0.320 896 G C -0.569 174.436 174.900 0.174 0.000 1.245 896 G CA -0.405 44.822 45.100 0.212 0.000 0.935 896 G HN 0.566 nan 8.290 nan 0.000 0.476 897 T N -0.865 113.787 114.554 0.162 0.000 2.924 897 T HA 0.849 5.188 4.350 -0.019 0.000 0.291 897 T C 0.003 174.725 174.700 0.037 0.000 1.045 897 T CA -0.595 61.535 62.100 0.049 0.000 1.015 897 T CB 2.358 71.201 68.868 -0.042 0.000 1.103 897 T HN 1.162 nan 8.240 nan 0.000 0.496 898 G N 0.490 109.218 108.800 -0.120 0.000 2.682 898 G HA2 0.627 4.576 3.960 -0.019 0.000 0.300 898 G HA3 0.627 4.576 3.960 -0.019 0.000 0.300 898 G C -1.602 173.109 174.900 -0.316 0.000 1.391 898 G CA -0.967 44.008 45.100 -0.208 0.000 0.990 898 G HN 0.745 nan 8.290 nan 0.000 0.501 899 R N 0.705 120.965 120.500 -0.400 0.000 2.686 899 R HA 0.617 4.945 4.340 -0.019 0.000 0.283 899 R C -0.801 175.424 176.300 -0.125 0.000 0.978 899 R CA -0.806 55.085 56.100 -0.348 0.000 0.897 899 R CB 1.550 31.487 30.300 -0.604 0.000 1.192 899 R HN 0.422 nan 8.270 nan 0.000 0.457 900 L N 3.546 124.779 121.223 0.018 0.000 2.257 900 L HA 0.471 4.800 4.340 -0.019 0.000 0.290 900 L C -0.432 176.631 176.870 0.321 0.000 1.044 900 L CA -0.941 53.994 54.840 0.158 0.000 0.810 900 L CB 1.409 43.600 42.059 0.220 0.000 1.193 900 L HN 0.536 nan 8.230 nan 0.000 0.425 901 C N 3.182 122.650 119.300 0.280 0.000 2.499 901 C HA 0.156 4.605 4.460 -0.019 0.000 0.386 901 C C 0.828 175.805 174.990 -0.021 0.000 1.293 901 C CA -0.674 58.454 59.018 0.183 0.000 1.884 901 C CB 0.147 27.974 27.740 0.144 0.000 2.509 901 C HN 0.687 nan 8.230 nan 0.000 0.566 902 K N 3.434 123.642 120.400 -0.321 0.000 2.267 902 K HA 0.433 4.742 4.320 -0.019 0.000 0.282 902 K C 0.082 176.502 176.600 -0.300 0.000 1.078 902 K CA 0.167 56.108 56.287 -0.577 0.000 0.903 902 K CB 0.427 32.288 32.500 -1.065 0.000 1.111 902 K HN 0.912 nan 8.250 nan 0.000 0.475 903 T N 0.240 114.701 114.554 -0.156 0.000 2.883 903 T HA 0.305 4.644 4.350 -0.019 0.000 0.296 903 T C -0.158 174.466 174.700 -0.127 0.000 1.117 903 T CA -1.117 60.896 62.100 -0.144 0.000 1.006 903 T CB 1.102 69.903 68.868 -0.113 0.000 1.191 903 T HN 0.450 nan 8.240 nan 0.000 0.508 904 N N 1.718 120.329 118.700 -0.148 0.000 3.303 904 N HA 0.319 5.048 4.740 -0.019 0.000 0.304 904 N C -0.845 174.607 175.510 -0.097 0.000 1.302 904 N CA 0.035 53.007 53.050 -0.130 0.000 1.213 904 N CB -0.417 37.992 38.487 -0.130 0.000 1.481 904 N HN 0.503 nan 8.380 nan 0.000 0.546 905 L N -0.321 120.847 121.223 -0.091 0.000 2.376 905 L HA 0.331 4.660 4.340 -0.019 0.000 0.258 905 L C 0.347 177.192 176.870 -0.041 0.000 1.013 905 L CA -0.865 53.928 54.840 -0.078 0.000 0.822 905 L CB 1.897 43.868 42.059 -0.147 0.000 1.388 905 L HN -0.020 nan 8.230 nan 0.000 0.413 906 S N 0.653 116.353 115.700 0.001 0.000 2.558 906 S HA -0.029 4.430 4.470 -0.019 0.000 0.293 906 S C 0.220 174.823 174.600 0.005 0.000 1.292 906 S CA -0.037 58.170 58.200 0.011 0.000 1.063 906 S CB 0.715 63.950 63.200 0.057 0.000 0.831 906 S HN 0.554 nan 8.310 nan 0.000 0.499 907 S N 3.275 118.979 115.700 0.006 0.000 2.515 907 S HA 0.055 4.514 4.470 -0.019 0.000 0.285 907 S C 0.278 174.887 174.600 0.016 0.000 1.265 907 S CA -0.610 57.600 58.200 0.018 0.000 1.079 907 S CB -0.254 62.965 63.200 0.033 0.000 0.877 907 S HN 0.606 nan 8.310 nan 0.000 0.493 908 N N 2.862 121.512 118.700 -0.083 0.000 2.483 908 N HA 0.390 5.119 4.740 -0.019 0.000 0.269 908 N C 0.227 175.742 175.510 0.008 0.000 1.209 908 N CA -0.076 52.847 53.050 -0.212 0.000 0.969 908 N CB 1.513 39.546 38.487 -0.755 0.000 1.173 908 N HN 0.674 nan 8.380 nan 0.000 0.475 909 T N -1.293 113.385 114.554 0.206 0.000 2.618 909 T HA 0.618 4.956 4.350 -0.019 0.000 0.293 909 T C -1.241 173.741 174.700 0.469 0.000 1.093 909 T CA -0.535 61.794 62.100 0.381 0.000 1.061 909 T CB 0.434 69.495 68.868 0.322 0.000 1.498 909 T HN 0.476 nan 8.240 nan 0.000 0.494 910 A N 1.194 124.304 122.820 0.484 0.000 2.511 910 A HA 0.563 4.872 4.320 -0.019 0.000 0.242 910 A C -0.725 177.267 177.584 0.681 0.000 1.069 910 A CA 0.152 52.554 52.037 0.609 0.000 0.763 910 A CB -0.764 18.631 19.000 0.659 0.000 1.001 910 A HN 0.697 nan 8.150 nan 0.000 0.498 911 F N 2.287 122.519 119.950 0.470 0.000 2.588 911 F HA 0.432 4.948 4.527 -0.018 0.000 0.318 911 F C 0.536 176.523 175.800 0.311 0.000 1.155 911 F CA -1.128 57.115 58.000 0.406 0.000 0.967 911 F CB 1.206 40.301 39.000 0.158 0.000 1.236 911 F HN 0.781 nan 8.300 nan 0.000 0.455 912 R N 4.159 125.117 120.500 0.764 0.000 4.326 912 R HA -0.067 4.262 4.340 -0.019 0.000 0.141 912 R C 0.923 177.407 176.300 0.307 0.000 0.356 912 R CA 1.977 58.364 56.100 0.479 0.000 0.851 912 R CB -0.712 29.890 30.300 0.503 0.000 1.039 912 R HN 1.165 nan 8.270 nan 0.000 0.246 913 G N 3.493 112.448 108.800 0.258 0.000 2.436 913 G HA2 -0.308 3.641 3.960 -0.019 0.000 0.204 913 G HA3 -0.308 3.641 3.960 -0.019 0.000 0.204 913 G C 0.271 175.457 174.900 0.477 0.000 1.026 913 G CA -0.081 45.179 45.100 0.266 0.000 0.658 913 G HN 0.850 nan 8.290 nan 0.000 0.499 914 F N 0.664 120.747 119.950 0.222 0.000 2.983 914 F HA 0.081 4.597 4.527 -0.019 0.000 0.288 914 F C 1.733 177.598 175.800 0.109 0.000 0.980 914 F CA 2.475 60.597 58.000 0.204 0.000 0.965 914 F CB -1.008 38.126 39.000 0.223 0.000 0.967 914 F HN 2.093 nan 8.300 nan 0.000 0.800 915 G N -0.296 108.505 108.800 0.002 0.000 2.284 915 G HA2 -0.285 3.664 3.960 -0.019 0.000 0.247 915 G HA3 -0.285 3.664 3.960 -0.019 0.000 0.247 915 G C 1.565 176.358 174.900 -0.178 0.000 1.012 915 G CA 0.820 45.833 45.100 -0.144 0.000 0.618 915 G HN 1.586 nan 8.290 nan 0.000 0.521 916 G N 1.698 110.464 108.800 -0.056 0.000 2.453 916 G HA2 0.056 4.004 3.960 -0.019 0.000 0.215 916 G HA3 0.056 4.004 3.960 -0.019 0.000 0.215 916 G C 0.107 174.944 174.900 -0.104 0.000 1.201 916 G CA 1.958 46.968 45.100 -0.150 0.000 0.784 916 G HN 0.538 nan 8.290 nan 0.000 0.545 917 P HA -0.103 nan 4.420 nan 0.000 0.216 917 P C 1.771 179.127 177.300 0.093 0.000 1.150 917 P CA 1.390 64.577 63.100 0.145 0.000 0.843 917 P CB -0.007 31.784 31.700 0.152 0.000 0.787 918 Q N -0.516 119.187 119.800 -0.162 0.000 2.050 918 Q HA -0.090 4.239 4.340 -0.019 0.000 0.202 918 Q C 2.321 178.231 176.000 -0.151 0.000 0.980 918 Q CA 2.008 57.642 55.803 -0.282 0.000 0.840 918 Q CB -1.363 26.766 28.738 -1.015 0.000 0.898 918 Q HN 0.161 nan 8.270 nan 0.000 0.424 919 A N 0.313 122.990 122.820 -0.239 0.000 1.930 919 A HA -0.121 4.188 4.320 -0.019 0.000 0.217 919 A C 2.060 179.620 177.584 -0.041 0.000 1.175 919 A CA 1.113 53.133 52.037 -0.029 0.000 0.627 919 A CB -0.670 18.306 19.000 -0.040 0.000 0.815 919 A HN 0.324 nan 8.150 nan 0.000 0.443 920 L N -2.100 118.982 121.223 -0.236 0.000 2.093 920 L HA -0.114 4.214 4.340 -0.019 0.000 0.208 920 L C 2.442 179.061 176.870 -0.418 0.000 1.085 920 L CA 1.379 55.853 54.840 -0.611 0.000 0.755 920 L CB -0.509 40.643 42.059 -1.512 0.000 0.904 920 L HN 0.513 nan 8.230 nan 0.000 0.435 921 F N 0.914 120.780 119.950 -0.139 0.000 2.134 921 F HA -0.204 4.311 4.527 -0.020 0.000 0.299 921 F C 2.223 178.027 175.800 0.006 0.000 1.097 921 F CA 1.435 59.541 58.000 0.177 0.000 1.264 921 F CB -0.169 38.942 39.000 0.185 0.000 1.001 921 F HN -0.118 nan 8.300 nan 0.000 0.479 922 I N 0.383 120.909 120.570 -0.073 0.000 2.226 922 I HA -0.320 3.838 4.170 -0.019 0.000 0.245 922 I C 2.737 178.611 176.117 -0.405 0.000 1.100 922 I CA 1.245 62.432 61.300 -0.189 0.000 1.374 922 I CB -1.008 37.043 38.000 0.085 0.000 1.057 922 I HN 0.260 nan 8.210 nan 0.000 0.413 923 A N 0.446 123.050 122.820 -0.359 0.000 1.865 923 A HA -0.234 4.075 4.320 -0.019 0.000 0.217 923 A C 2.237 179.041 177.584 -1.300 0.000 1.191 923 A CA 1.764 53.321 52.037 -0.800 0.000 0.623 923 A CB -0.539 18.279 19.000 -0.304 0.000 0.826 923 A HN 0.349 nan 8.150 nan 0.000 0.444 924 E N -0.290 119.471 120.200 -0.733 0.000 2.204 924 E HA -0.177 4.162 4.350 -0.019 0.000 0.194 924 E C 1.785 177.804 176.600 -0.969 0.000 0.989 924 E CA 1.236 57.140 56.400 -0.827 0.000 0.824 924 E CB -0.516 28.783 29.700 -0.669 0.000 0.756 924 E HN 0.744 nan 8.360 nan 0.000 0.477 925 N N 1.097 119.376 118.700 -0.702 0.000 2.058 925 N HA -0.156 4.573 4.740 -0.019 0.000 0.191 925 N C 1.941 177.212 175.510 -0.399 0.000 1.037 925 N CA 1.992 54.796 53.050 -0.409 0.000 0.848 925 N CB -0.352 37.857 38.487 -0.464 0.000 1.021 925 N HN 0.373 nan 8.380 nan 0.000 0.422 926 W N -0.563 120.470 121.300 -0.445 0.000 2.402 926 W HA -0.063 4.586 4.660 -0.019 0.000 0.286 926 W C 1.701 178.036 176.519 -0.308 0.000 1.221 926 W CA 0.242 57.373 57.345 -0.355 0.000 1.257 926 W CB -0.874 28.367 29.460 -0.365 0.000 1.120 926 W HN 0.145 nan 8.180 nan 0.000 0.551 927 M N 3.403 122.592 119.600 -0.685 0.000 2.108 927 M HA -0.208 4.261 4.480 -0.019 0.000 0.261 927 M C 2.574 178.644 176.300 -0.385 0.000 1.066 927 M CA 2.850 57.797 55.300 -0.589 0.000 1.107 927 M CB -0.858 31.153 32.600 -0.982 0.000 1.356 927 M HN 0.109 nan 8.290 nan 0.000 0.406 928 S N -0.716 114.748 115.700 -0.394 0.000 2.382 928 S HA -0.175 4.284 4.470 -0.019 0.000 0.228 928 S C 1.787 176.313 174.600 -0.124 0.000 1.027 928 S CA 1.573 59.634 58.200 -0.233 0.000 0.991 928 S CB -0.887 62.215 63.200 -0.163 0.000 0.823 928 S HN 0.703 nan 8.310 nan 0.000 0.469 929 E N 0.762 120.905 120.200 -0.094 0.000 2.152 929 E HA -0.021 4.317 4.350 -0.019 0.000 0.192 929 E C 2.131 178.667 176.600 -0.106 0.000 0.983 929 E CA 0.983 57.368 56.400 -0.025 0.000 0.818 929 E CB -0.307 29.443 29.700 0.083 0.000 0.758 929 E HN 0.408 nan 8.360 nan 0.000 0.467 930 V N 1.595 121.344 119.914 -0.274 0.000 2.295 930 V HA -0.296 3.813 4.120 -0.019 0.000 0.246 930 V C 2.387 178.277 176.094 -0.340 0.000 1.049 930 V CA 1.966 63.869 62.300 -0.662 0.000 1.024 930 V CB -0.749 30.616 31.823 -0.763 0.000 0.648 930 V HN 0.319 nan 8.190 nan 0.000 0.447 931 A N -0.326 122.373 122.820 -0.201 0.000 1.883 931 A HA -0.179 4.130 4.320 -0.019 0.000 0.217 931 A C 2.404 179.976 177.584 -0.020 0.000 1.186 931 A CA 2.207 54.191 52.037 -0.088 0.000 0.624 931 A CB -0.761 18.201 19.000 -0.064 0.000 0.822 931 A HN 0.330 nan 8.150 nan 0.000 0.444 932 V N -0.327 119.581 119.914 -0.010 0.000 2.343 932 V HA -0.227 3.882 4.120 -0.019 0.000 0.247 932 V C 2.756 178.893 176.094 0.071 0.000 1.051 932 V CA 2.495 64.820 62.300 0.042 0.000 1.036 932 V CB -1.177 30.679 31.823 0.054 0.000 0.654 932 V HN 0.622 nan 8.190 nan 0.000 0.451 933 T N -1.414 113.190 114.554 0.085 0.000 2.788 933 T HA -0.204 4.135 4.350 -0.019 0.000 0.268 933 T C 1.785 176.596 174.700 0.185 0.000 1.044 933 T CA 1.857 64.062 62.100 0.175 0.000 1.139 933 T CB -0.431 68.638 68.868 0.336 0.000 0.867 933 T HN 0.535 nan 8.240 nan 0.000 0.454 934 C N 0.841 120.235 119.300 0.156 0.000 2.500 934 C HA 0.405 4.854 4.460 -0.019 0.000 0.273 934 C C 2.081 177.129 174.990 0.097 0.000 1.428 934 C CA -0.267 58.841 59.018 0.149 0.000 1.766 934 C CB -1.407 26.411 27.740 0.129 0.000 1.817 934 C HN 0.806 nan 8.230 nan 0.000 0.543 935 G N 1.027 109.875 108.800 0.080 0.000 2.273 935 G HA2 -0.243 3.706 3.960 -0.019 0.000 0.280 935 G HA3 -0.243 3.706 3.960 -0.019 0.000 0.280 935 G C -0.279 174.659 174.900 0.063 0.000 1.047 935 G CA 0.118 45.259 45.100 0.068 0.000 0.869 935 G HN 0.550 nan 8.290 nan 0.000 0.502 936 L N -0.712 120.547 121.223 0.060 0.000 2.341 936 L HA 0.527 4.856 4.340 -0.019 0.000 0.267 936 L C -2.056 174.857 176.870 0.072 0.000 1.009 936 L CA -2.638 52.240 54.840 0.065 0.000 0.819 936 L CB 2.101 44.197 42.059 0.062 0.000 1.323 936 L HN -0.140 nan 8.230 nan 0.000 0.425 937 P HA 0.037 nan 4.420 nan 0.000 0.264 937 P C 0.119 177.493 177.300 0.124 0.000 1.193 937 P CA 0.003 63.179 63.100 0.126 0.000 0.763 937 P CB 0.996 32.798 31.700 0.169 0.000 0.810 938 A N 4.038 126.928 122.820 0.118 0.000 1.940 938 A HA -0.235 4.074 4.320 -0.019 0.000 0.219 938 A C 1.711 179.378 177.584 0.138 0.000 1.176 938 A CA 1.724 53.812 52.037 0.084 0.000 0.631 938 A CB -0.891 18.149 19.000 0.066 0.000 0.814 938 A HN 0.583 nan 8.150 nan 0.000 0.446 939 E N 0.459 120.784 120.200 0.207 0.000 2.150 939 E HA -0.141 4.198 4.350 -0.019 0.000 0.193 939 E C 1.723 178.547 176.600 0.374 0.000 0.985 939 E CA 1.372 57.973 56.400 0.334 0.000 0.814 939 E CB -0.366 29.411 29.700 0.130 0.000 0.752 939 E HN 0.772 nan 8.360 nan 0.000 0.466 940 E N 0.399 120.759 120.200 0.266 0.000 2.072 940 E HA -0.111 4.227 4.350 -0.019 0.000 0.191 940 E C 2.003 178.715 176.600 0.187 0.000 0.985 940 E CA 1.117 57.666 56.400 0.247 0.000 0.801 940 E CB 0.064 29.875 29.700 0.185 0.000 0.750 940 E HN 0.091 nan 8.360 nan 0.000 0.452 941 V N 1.081 121.054 119.914 0.098 0.000 2.358 941 V HA -0.234 3.875 4.120 -0.019 0.000 0.246 941 V C 2.214 178.263 176.094 -0.075 0.000 1.047 941 V CA 1.622 63.920 62.300 -0.004 0.000 1.035 941 V CB -0.447 31.338 31.823 -0.062 0.000 0.658 941 V HN 0.186 nan 8.190 nan 0.000 0.452 942 R N -0.913 119.557 120.500 -0.049 0.000 2.080 942 R HA -0.217 4.112 4.340 -0.019 0.000 0.236 942 R C 2.275 178.530 176.300 -0.074 0.000 1.137 942 R CA 2.126 58.167 56.100 -0.098 0.000 0.943 942 R CB -0.498 29.826 30.300 0.040 0.000 0.846 942 R HN 0.708 nan 8.270 nan 0.000 0.431 943 W N 2.323 123.471 121.300 -0.253 0.000 2.335 943 W HA -0.226 4.423 4.660 -0.018 0.000 0.311 943 W C 1.350 177.775 176.519 -0.157 0.000 1.213 943 W CA 1.422 58.577 57.345 -0.318 0.000 1.274 943 W CB -0.111 29.261 29.460 -0.147 0.000 1.148 943 W HN 0.046 nan 8.180 nan 0.000 0.498 944 K N -0.110 120.255 120.400 -0.058 0.000 2.152 944 K HA -0.194 4.114 4.320 -0.019 0.000 0.206 944 K C 1.448 177.922 176.600 -0.210 0.000 1.048 944 K CA 1.552 57.760 56.287 -0.132 0.000 0.933 944 K CB -0.311 32.179 32.500 -0.016 0.000 0.721 944 K HN 0.125 nan 8.250 nan 0.000 0.447 945 N N 0.105 118.693 118.700 -0.186 0.000 2.280 945 N HA 0.038 4.767 4.740 -0.019 0.000 0.192 945 N C 0.166 175.603 175.510 -0.122 0.000 1.109 945 N CA 0.039 52.996 53.050 -0.156 0.000 0.855 945 N CB 0.334 38.705 38.487 -0.193 0.000 0.974 945 N HN 0.193 nan 8.380 nan 0.000 0.482 946 M N 0.966 120.439 119.600 -0.211 0.000 2.245 946 M HA 0.016 4.485 4.480 -0.019 0.000 0.344 946 M C -0.263 175.851 176.300 -0.311 0.000 1.170 946 M CA -0.109 55.040 55.300 -0.252 0.000 1.135 946 M CB 0.502 32.849 32.600 -0.421 0.000 1.574 946 M HN 0.043 nan 8.290 nan 0.000 0.452 947 Y N 3.822 123.930 120.300 -0.321 0.000 2.709 947 Y HA -0.040 4.500 4.550 -0.018 0.000 0.348 947 Y C 0.556 176.123 175.900 -0.555 0.000 1.267 947 Y CA 0.285 58.049 58.100 -0.560 0.000 1.486 947 Y CB 0.430 38.261 38.460 -1.047 0.000 1.356 947 Y HN 0.449 nan 8.280 nan 0.000 0.639 948 K N 1.109 121.325 120.400 -0.307 0.000 2.295 948 K HA 0.200 4.509 4.320 -0.019 0.000 0.239 948 K C -0.863 175.566 176.600 -0.285 0.000 0.991 948 K CA -1.297 54.854 56.287 -0.225 0.000 0.845 948 K CB 1.542 33.950 32.500 -0.153 0.000 1.197 948 K HN 0.532 nan 8.250 nan 0.000 0.441 949 E N 0.247 120.395 120.200 -0.087 0.000 2.765 949 E HA -0.011 4.328 4.350 -0.019 0.000 0.256 949 E C 0.800 177.327 176.600 -0.120 0.000 0.935 949 E CA 1.868 58.235 56.400 -0.056 0.000 0.954 949 E CB -0.391 29.317 29.700 0.015 0.000 0.908 949 E HN 0.751 nan 8.360 nan 0.000 0.500 950 G N 3.796 112.507 108.800 -0.148 0.000 2.199 950 G HA2 -0.263 3.685 3.960 -0.019 0.000 0.254 950 G HA3 -0.263 3.685 3.960 -0.019 0.000 0.254 950 G C -0.033 174.756 174.900 -0.185 0.000 0.982 950 G CA 0.057 45.076 45.100 -0.135 0.000 0.632 950 G HN 0.644 nan 8.290 nan 0.000 0.529 951 D N 0.387 120.626 120.400 -0.267 0.000 2.400 951 D HA 0.429 5.057 4.640 -0.019 0.000 0.238 951 D C 1.219 177.312 176.300 -0.345 0.000 1.157 951 D CA 0.135 53.977 54.000 -0.263 0.000 0.889 951 D CB 0.590 41.252 40.800 -0.230 0.000 1.199 951 D HN 0.332 nan 8.370 nan 0.000 0.436 952 L N 1.216 122.286 121.223 -0.255 0.000 2.334 952 L HA 0.267 4.595 4.340 -0.019 0.000 0.277 952 L C 1.367 178.030 176.870 -0.345 0.000 1.075 952 L CA -0.720 53.943 54.840 -0.294 0.000 0.804 952 L CB 1.211 43.163 42.059 -0.178 0.000 1.174 952 L HN 0.442 nan 8.230 nan 0.000 0.438 953 T N -2.812 111.408 114.554 -0.557 0.000 2.729 953 T HA 0.028 4.367 4.350 -0.019 0.000 0.298 953 T C 1.389 175.937 174.700 -0.253 0.000 1.013 953 T CA -0.252 61.547 62.100 -0.502 0.000 0.957 953 T CB 0.403 68.594 68.868 -1.127 0.000 1.130 953 T HN 0.738 nan 8.240 nan 0.000 0.526 954 H N 0.125 119.118 119.070 -0.128 0.000 2.521 954 H HA -0.016 4.529 4.556 -0.018 0.000 0.286 954 H C 1.215 176.609 175.328 0.109 0.000 1.034 954 H CA 1.021 57.092 56.048 0.039 0.000 1.278 954 H CB -0.821 29.033 29.762 0.154 0.000 1.386 954 H HN 0.769 nan 8.280 nan 0.000 0.567 955 F N 0.153 119.892 119.950 -0.352 0.000 2.639 955 F HA 0.413 4.928 4.527 -0.019 0.000 0.300 955 F C 0.075 175.866 175.800 -0.016 0.000 1.109 955 F CA -0.882 57.015 58.000 -0.171 0.000 1.335 955 F CB -0.094 38.663 39.000 -0.406 0.000 1.014 955 F HN -0.146 nan 8.300 nan 0.000 0.537 956 N N 1.120 119.671 118.700 -0.248 0.000 2.782 956 N HA -0.262 4.467 4.740 -0.019 0.000 0.251 956 N C -0.120 175.285 175.510 -0.175 0.000 1.101 956 N CA 1.070 54.030 53.050 -0.149 0.000 0.764 956 N CB -1.170 37.313 38.487 -0.007 0.000 1.122 956 N HN 0.774 nan 8.380 nan 0.000 0.561 957 Q N 0.630 120.205 119.800 -0.375 0.000 2.256 957 Q HA 0.294 4.623 4.340 -0.019 0.000 0.254 957 Q C 0.187 176.039 176.000 -0.245 0.000 0.916 957 Q CA -0.584 55.097 55.803 -0.203 0.000 0.932 957 Q CB 0.987 29.716 28.738 -0.014 0.000 1.207 957 Q HN 0.206 nan 8.270 nan 0.000 0.426 958 R N 4.039 124.466 120.500 -0.121 0.000 2.442 958 R HA 0.145 4.473 4.340 -0.019 0.000 0.291 958 R C -0.853 175.383 176.300 -0.107 0.000 1.069 958 R CA -0.119 55.898 56.100 -0.138 0.000 1.022 958 R CB 0.320 30.577 30.300 -0.071 0.000 0.976 958 R HN 0.654 nan 8.270 nan 0.000 0.443 959 L N 5.395 126.472 121.223 -0.243 0.000 2.302 959 L HA 0.233 4.562 4.340 -0.019 0.000 0.285 959 L C -0.096 176.759 176.870 -0.025 0.000 1.090 959 L CA 0.106 54.833 54.840 -0.188 0.000 0.866 959 L CB 0.789 42.518 42.059 -0.551 0.000 1.244 959 L HN 0.560 nan 8.230 nan 0.000 0.435 960 E N 2.512 122.776 120.200 0.106 0.000 2.156 960 E HA 0.418 4.757 4.350 -0.019 0.000 0.279 960 E C 0.562 177.262 176.600 0.167 0.000 0.965 960 E CA -0.412 56.046 56.400 0.097 0.000 0.789 960 E CB 1.758 31.499 29.700 0.069 0.000 1.098 960 E HN 0.719 nan 8.360 nan 0.000 0.397 961 G N 3.367 112.241 108.800 0.124 0.000 2.289 961 G HA2 -0.297 3.651 3.960 -0.019 0.000 0.280 961 G HA3 -0.297 3.651 3.960 -0.019 0.000 0.280 961 G C -0.429 174.557 174.900 0.144 0.000 1.089 961 G CA -0.278 44.897 45.100 0.125 0.000 0.939 961 G HN 0.500 nan 8.290 nan 0.000 0.499 962 F N 2.368 122.240 119.950 -0.130 0.000 2.439 962 F HA 0.489 5.005 4.527 -0.019 0.000 0.356 962 F C 1.401 176.914 175.800 -0.478 0.000 1.161 962 F CA -0.285 57.443 58.000 -0.453 0.000 1.151 962 F CB 0.676 39.464 39.000 -0.354 0.000 1.222 962 F HN 0.289 nan 8.300 nan 0.000 0.558 963 S N 2.735 117.825 115.700 -1.016 0.000 2.556 963 S HA 0.011 4.470 4.470 -0.019 0.000 0.216 963 S C 1.609 175.871 174.600 -0.564 0.000 0.970 963 S CA 0.334 58.223 58.200 -0.517 0.000 0.912 963 S CB -0.383 62.712 63.200 -0.175 0.000 0.790 963 S HN 0.417 nan 8.310 nan 0.000 0.504 964 V N 3.024 122.277 119.914 -1.103 0.000 2.282 964 V HA -0.110 3.999 4.120 -0.019 0.000 0.249 964 V C -0.344 175.653 176.094 -0.162 0.000 1.057 964 V CA 2.079 64.010 62.300 -0.615 0.000 1.032 964 V CB -1.789 29.552 31.823 -0.804 0.000 0.645 964 V HN 0.394 nan 8.190 nan 0.000 0.447 965 P HA -0.156 nan 4.420 nan 0.000 0.215 965 P C 1.804 179.253 177.300 0.249 0.000 1.157 965 P CA 1.512 64.772 63.100 0.267 0.000 0.874 965 P CB -0.120 31.730 31.700 0.250 0.000 0.790 966 R N -0.990 119.566 120.500 0.094 0.000 2.080 966 R HA -0.134 4.194 4.340 -0.019 0.000 0.236 966 R C 2.332 178.679 176.300 0.079 0.000 1.137 966 R CA 1.842 57.986 56.100 0.073 0.000 0.943 966 R CB -1.299 29.014 30.300 0.022 0.000 0.846 966 R HN 0.235 nan 8.270 nan 0.000 0.431 967 C N -0.473 118.867 119.300 0.067 0.000 2.413 967 C HA -0.167 4.281 4.460 -0.019 0.000 0.276 967 C C 2.397 177.464 174.990 0.127 0.000 1.248 967 C CA 0.216 59.282 59.018 0.081 0.000 1.742 967 C CB -1.166 26.625 27.740 0.085 0.000 2.017 967 C HN 0.668 nan 8.230 nan 0.000 0.481 968 W N 1.810 123.103 121.300 -0.012 0.000 2.354 968 W HA -0.148 4.500 4.660 -0.019 0.000 0.315 968 W C 2.174 178.644 176.519 -0.081 0.000 1.206 968 W CA 2.193 59.527 57.345 -0.018 0.000 1.290 968 W CB -0.767 28.750 29.460 0.095 0.000 1.152 968 W HN 0.408 nan 8.180 nan 0.000 0.489 969 D N 0.046 120.535 120.400 0.148 0.000 2.097 969 D HA -0.227 4.402 4.640 -0.019 0.000 0.195 969 D C 1.995 178.259 176.300 -0.061 0.000 0.989 969 D CA 2.054 56.048 54.000 -0.009 0.000 0.827 969 D CB -0.281 40.538 40.800 0.031 0.000 0.966 969 D HN 0.234 nan 8.370 nan 0.000 0.456 970 E N -0.536 119.649 120.200 -0.025 0.000 2.106 970 E HA -0.150 4.189 4.350 -0.019 0.000 0.192 970 E C 2.241 178.794 176.600 -0.080 0.000 0.984 970 E CA 0.708 57.086 56.400 -0.038 0.000 0.806 970 E CB -0.228 29.464 29.700 -0.013 0.000 0.750 970 E HN 0.366 nan 8.360 nan 0.000 0.458 971 C N 0.808 120.038 119.300 -0.118 0.000 2.446 971 C HA -0.066 4.383 4.460 -0.019 0.000 0.277 971 C C 2.595 177.441 174.990 -0.240 0.000 1.275 971 C CA 0.410 59.327 59.018 -0.169 0.000 1.727 971 C CB -1.005 26.618 27.740 -0.196 0.000 2.010 971 C HN 0.376 nan 8.230 nan 0.000 0.486 972 L N 0.704 121.708 121.223 -0.365 0.000 2.043 972 L HA -0.182 4.146 4.340 -0.019 0.000 0.212 972 L C 2.809 179.576 176.870 -0.171 0.000 1.075 972 L CA 1.587 56.192 54.840 -0.391 0.000 0.752 972 L CB -0.605 41.160 42.059 -0.489 0.000 0.891 972 L HN 0.344 nan 8.230 nan 0.000 0.432 973 K N -0.149 120.186 120.400 -0.109 0.000 2.007 973 K HA -0.076 4.232 4.320 -0.019 0.000 0.206 973 K C 2.343 178.920 176.600 -0.038 0.000 1.047 973 K CA 1.726 57.989 56.287 -0.041 0.000 0.937 973 K CB -0.562 31.922 32.500 -0.027 0.000 0.718 973 K HN 0.399 nan 8.250 nan 0.000 0.438 974 S N 1.063 116.731 115.700 -0.053 0.000 2.428 974 S HA -0.092 4.367 4.470 -0.019 0.000 0.230 974 S C 2.060 176.633 174.600 -0.044 0.000 1.014 974 S CA 1.399 59.574 58.200 -0.043 0.000 0.957 974 S CB -0.330 62.844 63.200 -0.044 0.000 0.784 974 S HN 0.292 nan 8.310 nan 0.000 0.499 975 S N 0.799 116.463 115.700 -0.059 0.000 2.562 975 S HA 0.085 4.544 4.470 -0.019 0.000 0.221 975 S C 0.637 175.215 174.600 -0.037 0.000 0.975 975 S CA 0.166 58.337 58.200 -0.050 0.000 0.918 975 S CB -0.826 62.337 63.200 -0.060 0.000 0.772 975 S HN 0.582 nan 8.310 nan 0.000 0.531 976 Q N -0.529 119.254 119.800 -0.029 0.000 2.451 976 Q HA -0.289 4.040 4.340 -0.019 0.000 0.305 976 Q C 0.229 176.211 176.000 -0.030 0.000 1.345 976 Q CA 0.744 56.540 55.803 -0.012 0.000 0.854 976 Q CB -2.373 26.357 28.738 -0.014 0.000 1.162 976 Q HN 0.824 nan 8.270 nan 0.000 0.440 977 Y N -0.422 119.749 120.300 -0.216 0.000 2.081 977 Y HA -0.345 4.200 4.550 -0.008 0.000 0.280 977 Y C 1.663 177.404 175.900 -0.266 0.000 1.163 977 Y CA 2.549 60.455 58.100 -0.322 0.000 1.135 977 Y CB -0.303 37.819 38.460 -0.563 0.000 0.970 977 Y HN 0.393 nan 8.280 nan 0.000 0.498 978 Y N -0.553 119.758 120.300 0.018 0.000 2.181 978 Y HA -0.204 4.331 4.550 -0.026 0.000 0.288 978 Y C 2.679 178.510 175.900 -0.115 0.000 1.146 978 Y CA 0.966 59.034 58.100 -0.053 0.000 1.164 978 Y CB -0.794 37.691 38.460 0.043 0.000 0.982 978 Y HN 0.246 nan 8.280 nan 0.000 0.515 979 A N 0.433 123.291 122.820 0.064 0.000 1.902 979 A HA -0.192 4.117 4.320 -0.019 0.000 0.217 979 A C 2.200 179.750 177.584 -0.057 0.000 1.181 979 A CA 1.569 53.609 52.037 0.007 0.000 0.623 979 A CB -0.530 18.477 19.000 0.010 0.000 0.818 979 A HN 0.370 nan 8.150 nan 0.000 0.443 980 R N -0.681 119.749 120.500 -0.117 0.000 2.115 980 R HA -0.097 4.232 4.340 -0.019 0.000 0.230 980 R C 2.277 178.455 176.300 -0.203 0.000 1.111 980 R CA 1.411 57.421 56.100 -0.151 0.000 0.976 980 R CB -0.228 29.974 30.300 -0.163 0.000 0.870 980 R HN 0.615 nan 8.270 nan 0.000 0.445 981 K N 0.418 120.628 120.400 -0.317 0.000 2.063 981 K HA -0.121 4.188 4.320 -0.019 0.000 0.208 981 K C 1.976 178.504 176.600 -0.120 0.000 1.048 981 K CA 1.829 57.940 56.287 -0.293 0.000 0.928 981 K CB 0.037 32.316 32.500 -0.368 0.000 0.713 981 K HN -0.019 nan 8.250 nan 0.000 0.442 982 S N 0.837 116.494 115.700 -0.071 0.000 2.382 982 S HA -0.093 4.366 4.470 -0.019 0.000 0.228 982 S C 1.583 176.174 174.600 -0.014 0.000 1.027 982 S CA 1.019 59.204 58.200 -0.025 0.000 0.991 982 S CB -0.167 63.028 63.200 -0.008 0.000 0.823 982 S HN 0.331 nan 8.310 nan 0.000 0.469 983 E N 0.875 121.060 120.200 -0.024 0.000 2.106 983 E HA -0.034 4.305 4.350 -0.019 0.000 0.192 983 E C 2.253 178.874 176.600 0.035 0.000 0.984 983 E CA 0.571 56.974 56.400 0.005 0.000 0.806 983 E CB -0.450 29.244 29.700 -0.010 0.000 0.750 983 E HN 0.316 nan 8.360 nan 0.000 0.458 984 V N 2.112 122.018 119.914 -0.012 0.000 2.295 984 V HA -0.244 3.865 4.120 -0.019 0.000 0.246 984 V C 1.799 177.936 176.094 0.070 0.000 1.049 984 V CA 1.999 64.302 62.300 0.005 0.000 1.024 984 V CB -0.459 31.326 31.823 -0.064 0.000 0.648 984 V HN 0.121 nan 8.190 nan 0.000 0.447 985 D N -0.166 120.252 120.400 0.029 0.000 2.123 985 D HA -0.198 4.431 4.640 -0.019 0.000 0.196 985 D C 2.145 178.470 176.300 0.042 0.000 0.992 985 D CA 1.487 55.505 54.000 0.031 0.000 0.833 985 D CB -0.235 40.571 40.800 0.010 0.000 0.954 985 D HN 0.413 nan 8.370 nan 0.000 0.455 986 K N -0.361 120.067 120.400 0.048 0.000 2.026 986 K HA -0.152 4.157 4.320 -0.019 0.000 0.208 986 K C 2.168 178.799 176.600 0.051 0.000 1.048 986 K CA 0.704 57.012 56.287 0.037 0.000 0.929 986 K CB -0.339 32.183 32.500 0.036 0.000 0.713 986 K HN 0.046 nan 8.250 nan 0.000 0.439 987 F N 2.311 122.244 119.950 -0.029 0.000 2.091 987 F HA -0.273 4.235 4.527 -0.032 0.000 0.299 987 F C 1.768 177.549 175.800 -0.032 0.000 1.103 987 F CA 1.822 59.807 58.000 -0.026 0.000 1.228 987 F CB -0.209 38.778 39.000 -0.023 0.000 0.984 987 F HN 0.168 nan 8.300 nan 0.000 0.477 988 N N 0.481 119.274 118.700 0.155 0.000 2.244 988 N HA -0.123 4.606 4.740 -0.019 0.000 0.183 988 N C 1.659 177.122 175.510 -0.079 0.000 1.016 988 N CA 1.090 54.172 53.050 0.052 0.000 0.866 988 N CB -0.336 38.199 38.487 0.079 0.000 0.980 988 N HN 0.376 nan 8.380 nan 0.000 0.430 989 K N 0.810 121.168 120.400 -0.070 0.000 2.147 989 K HA -0.048 4.261 4.320 -0.019 0.000 0.205 989 K C 1.300 177.819 176.600 -0.135 0.000 1.049 989 K CA 0.995 57.227 56.287 -0.091 0.000 0.936 989 K CB 0.070 32.535 32.500 -0.058 0.000 0.722 989 K HN 0.327 nan 8.250 nan 0.000 0.446 990 E N -0.127 119.959 120.200 -0.189 0.000 2.452 990 E HA 0.065 4.404 4.350 -0.019 0.000 0.197 990 E C -0.161 176.266 176.600 -0.287 0.000 1.022 990 E CA 0.013 56.282 56.400 -0.218 0.000 0.890 990 E CB 0.391 29.962 29.700 -0.215 0.000 0.918 990 E HN 0.211 nan 8.360 nan 0.000 0.496 991 N N -0.253 118.226 118.700 -0.368 0.000 2.314 991 N HA 0.141 4.870 4.740 -0.019 0.000 0.294 991 N C -0.424 174.943 175.510 -0.238 0.000 1.029 991 N CA -0.315 52.529 53.050 -0.343 0.000 0.845 991 N CB 1.997 40.122 38.487 -0.602 0.000 1.321 991 N HN -0.026 nan 8.380 nan 0.000 0.481 992 C N 0.448 119.620 119.300 -0.213 0.000 2.518 992 C HA 0.138 4.587 4.460 -0.019 0.000 0.283 992 C C 1.351 176.070 174.990 -0.451 0.000 1.351 992 C CA -0.024 58.744 59.018 -0.416 0.000 1.745 992 C CB -0.500 26.930 27.740 -0.517 0.000 2.107 992 C HN 0.812 nan 8.230 nan 0.000 0.502 993 W N 0.951 122.306 121.300 0.092 0.000 2.862 993 W HA 0.336 4.997 4.660 0.001 0.000 0.376 993 W C 0.449 177.026 176.519 0.097 0.000 1.028 993 W CA -0.205 57.212 57.345 0.120 0.000 1.757 993 W CB 0.335 29.849 29.460 0.091 0.000 1.128 993 W HN 0.014 nan 8.180 nan 0.000 0.566 994 K N 1.058 121.608 120.400 0.249 0.000 2.469 994 K HA 0.475 4.784 4.320 -0.019 0.000 0.254 994 K C -0.403 176.390 176.600 0.323 0.000 0.939 994 K CA -0.946 55.507 56.287 0.277 0.000 0.812 994 K CB 2.388 35.090 32.500 0.337 0.000 1.301 994 K HN -0.435 nan 8.250 nan 0.000 0.433 995 K N 2.006 122.586 120.400 0.301 0.000 2.502 995 K HA 0.466 4.775 4.320 -0.019 0.000 0.257 995 K C -0.803 175.871 176.600 0.124 0.000 0.938 995 K CA -0.818 55.635 56.287 0.277 0.000 0.819 995 K CB 2.452 35.026 32.500 0.124 0.000 1.333 995 K HN 0.528 nan 8.250 nan 0.000 0.434 996 R N -0.224 120.311 120.500 0.058 0.000 2.720 996 R HA 0.734 5.063 4.340 -0.019 0.000 0.272 996 R C 0.060 176.334 176.300 -0.043 0.000 0.991 996 R CA -0.852 55.175 56.100 -0.121 0.000 1.010 996 R CB 1.789 31.891 30.300 -0.330 0.000 1.141 996 R HN 0.764 nan 8.270 nan 0.000 0.494 997 G N 0.842 109.605 108.800 -0.062 0.000 2.659 997 G HA2 0.595 4.544 3.960 -0.019 0.000 0.296 997 G HA3 0.595 4.544 3.960 -0.019 0.000 0.296 997 G C -2.090 172.786 174.900 -0.039 0.000 1.369 997 G CA -0.437 44.644 45.100 -0.032 0.000 0.937 997 G HN 0.367 nan 8.290 nan 0.000 0.485 998 L N 0.643 121.856 121.223 -0.017 0.000 2.505 998 L HA 0.798 5.127 4.340 -0.019 0.000 0.266 998 L C -1.129 175.789 176.870 0.080 0.000 0.954 998 L CA -0.536 54.297 54.840 -0.011 0.000 0.852 998 L CB 1.727 43.715 42.059 -0.118 0.000 1.282 998 L HN 0.810 nan 8.230 nan 0.000 0.403 999 C N 5.566 124.940 119.300 0.124 0.000 2.880 999 C HA 0.698 5.146 4.460 -0.019 0.000 0.320 999 C C -1.078 173.976 174.990 0.107 0.000 1.176 999 C CA -0.772 58.340 59.018 0.156 0.000 1.390 999 C CB 1.132 28.967 27.740 0.157 0.000 1.846 999 C HN 0.913 nan 8.230 nan 0.000 0.478 1000 I N 6.491 127.070 120.570 0.015 0.000 2.436 1000 I HA 0.670 4.828 4.170 -0.019 0.000 0.289 1000 I C -1.317 174.808 176.117 0.012 0.000 1.010 1000 I CA -0.512 60.690 61.300 -0.162 0.000 1.098 1000 I CB 0.943 38.544 38.000 -0.665 0.000 1.266 1000 I HN 0.512 nan 8.210 nan 0.000 0.434 1001 I N 9.173 129.806 120.570 0.105 0.000 2.582 1001 I HA 0.533 4.691 4.170 -0.019 0.000 0.292 1001 I C -2.531 173.791 176.117 0.342 0.000 1.066 1001 I CA -2.139 59.305 61.300 0.241 0.000 1.053 1001 I CB 2.021 40.081 38.000 0.100 0.000 1.241 1001 I HN 0.360 nan 8.210 nan 0.000 0.421 1002 P HA 0.476 nan 4.420 nan 0.000 0.285 1002 P C -0.740 176.736 177.300 0.293 0.000 1.285 1002 P CA -0.408 62.889 63.100 0.328 0.000 0.854 1002 P CB 2.557 34.378 31.700 0.203 0.000 1.180 1003 T N -1.062 113.662 114.554 0.283 0.000 2.894 1003 T HA 0.538 4.877 4.350 -0.019 0.000 0.309 1003 T C -1.502 173.382 174.700 0.306 0.000 1.208 1003 T CA -0.710 61.579 62.100 0.315 0.000 1.016 1003 T CB 1.020 70.165 68.868 0.460 0.000 1.192 1003 T HN 0.623 nan 8.240 nan 0.000 0.491 1004 K N 2.102 122.682 120.400 0.300 0.000 2.426 1004 K HA 0.772 5.081 4.320 -0.019 0.000 0.251 1004 K C -1.897 174.925 176.600 0.371 0.000 0.941 1004 K CA -0.898 55.571 56.287 0.303 0.000 0.808 1004 K CB 2.101 34.805 32.500 0.341 0.000 1.265 1004 K HN 0.441 nan 8.250 nan 0.000 0.432 1005 F N 1.131 121.151 119.950 0.117 0.000 2.562 1005 F HA 0.426 4.942 4.527 -0.019 0.000 0.319 1005 F C -0.193 175.532 175.800 -0.126 0.000 1.154 1005 F CA -0.271 57.796 58.000 0.111 0.000 0.931 1005 F CB 2.020 40.998 39.000 -0.037 0.000 1.198 1005 F HN 0.832 nan 8.300 nan 0.000 0.444 1006 G N 6.325 114.678 108.800 -0.746 0.000 2.378 1006 G HA2 0.404 4.353 3.960 -0.019 0.000 0.255 1006 G HA3 0.404 4.353 3.960 -0.019 0.000 0.255 1006 G C -0.703 173.441 174.900 -1.261 0.000 1.270 1006 G CA -0.416 43.560 45.100 -1.872 0.000 0.876 1006 G HN 0.482 nan 8.290 nan 0.000 0.521 1007 I N 1.725 121.753 120.570 -0.904 0.000 2.330 1007 I HA 0.497 4.655 4.170 -0.019 0.000 0.286 1007 I C 0.243 176.198 176.117 -0.271 0.000 1.025 1007 I CA -0.214 60.752 61.300 -0.557 0.000 1.197 1007 I CB -0.080 37.346 38.000 -0.957 0.000 1.358 1007 I HN 0.417 nan 8.210 nan 0.000 0.467 1008 S N 4.528 120.151 115.700 -0.128 0.000 2.798 1008 S HA 0.226 4.685 4.470 -0.019 0.000 0.277 1008 S C -0.758 173.777 174.600 -0.108 0.000 0.840 1008 S CA -0.919 57.224 58.200 -0.094 0.000 0.967 1008 S CB 0.230 63.402 63.200 -0.047 0.000 1.219 1008 S HN 0.279 nan 8.310 nan 0.000 0.481 1009 F N 2.329 122.215 119.950 -0.107 0.000 2.572 1009 F HA 0.133 4.649 4.527 -0.018 0.000 0.370 1009 F C 2.369 178.085 175.800 -0.140 0.000 1.103 1009 F CA 0.879 58.795 58.000 -0.139 0.000 1.286 1009 F CB 0.715 39.611 39.000 -0.173 0.000 1.105 1009 F HN 0.829 nan 8.300 nan 0.000 0.583 1010 T N -0.849 113.770 114.554 0.108 0.000 2.929 1010 T HA -0.065 4.274 4.350 -0.019 0.000 0.271 1010 T C 0.573 175.308 174.700 0.058 0.000 1.085 1010 T CA 0.496 62.636 62.100 0.066 0.000 1.125 1010 T CB -0.503 68.529 68.868 0.274 0.000 0.874 1010 T HN 0.187 nan 8.240 nan 0.000 0.494 1011 V N 3.899 123.821 119.914 0.013 0.000 2.368 1011 V HA 0.231 4.340 4.120 -0.019 0.000 0.266 1011 V C -1.282 174.663 176.094 -0.247 0.000 1.045 1011 V CA -1.664 60.534 62.300 -0.169 0.000 0.899 1011 V CB 1.253 32.833 31.823 -0.405 0.000 1.006 1011 V HN 0.174 nan 8.190 nan 0.000 0.470 1012 P HA -0.195 nan 4.420 nan 0.000 0.216 1012 P C 1.599 178.847 177.300 -0.088 0.000 1.153 1012 P CA 1.438 64.487 63.100 -0.085 0.000 0.858 1012 P CB -0.019 31.674 31.700 -0.012 0.000 0.789 1013 F N -1.349 118.576 119.950 -0.042 0.000 2.408 1013 F HA -0.040 4.476 4.527 -0.018 0.000 0.300 1013 F C 1.535 177.253 175.800 -0.137 0.000 1.090 1013 F CA 0.891 58.850 58.000 -0.068 0.000 1.427 1013 F CB -1.800 37.172 39.000 -0.045 0.000 1.070 1013 F HN -0.167 nan 8.300 nan 0.000 0.549 1014 L N 0.613 121.599 121.223 -0.395 0.000 2.478 1014 L HA -0.008 4.321 4.340 -0.019 0.000 0.223 1014 L C 0.722 177.362 176.870 -0.383 0.000 1.140 1014 L CA 0.351 54.857 54.840 -0.557 0.000 0.842 1014 L CB -0.687 40.614 42.059 -1.263 0.000 0.953 1014 L HN 0.143 nan 8.230 nan 0.000 0.452 1015 N N 2.560 121.182 118.700 -0.130 0.000 3.178 1015 N HA 0.055 4.784 4.740 -0.019 0.000 0.300 1015 N C -0.452 174.969 175.510 -0.149 0.000 1.242 1015 N CA 0.164 53.196 53.050 -0.029 0.000 1.192 1015 N CB 0.261 38.731 38.487 -0.028 0.000 1.463 1015 N HN 0.520 nan 8.380 nan 0.000 0.539 1016 Q N -0.888 118.806 119.800 -0.176 0.000 2.379 1016 Q HA 0.813 5.142 4.340 -0.019 0.000 0.278 1016 Q C -1.847 173.940 176.000 -0.354 0.000 1.068 1016 Q CA -1.266 54.342 55.803 -0.324 0.000 0.816 1016 Q CB 2.259 30.918 28.738 -0.131 0.000 1.387 1016 Q HN 0.082 nan 8.270 nan 0.000 0.413 1017 A N 0.843 123.301 122.820 -0.602 0.000 2.517 1017 A HA 0.873 5.182 4.320 -0.019 0.000 0.297 1017 A C -0.811 176.638 177.584 -0.225 0.000 1.050 1017 A CA -0.149 51.666 52.037 -0.371 0.000 0.694 1017 A CB 1.888 20.515 19.000 -0.621 0.000 1.277 1017 A HN 0.915 nan 8.150 nan 0.000 0.400 1018 G N -0.139 108.801 108.800 0.233 0.000 2.453 1018 G HA2 0.872 4.820 3.960 -0.019 0.000 0.323 1018 G HA3 0.872 4.820 3.960 -0.019 0.000 0.323 1018 G C -0.444 174.659 174.900 0.338 0.000 1.198 1018 G CA 0.009 45.322 45.100 0.355 0.000 0.959 1018 G HN 1.844 nan 8.290 nan 0.000 0.482 1019 A N -0.013 122.961 122.820 0.258 0.000 2.515 1019 A HA 0.834 5.143 4.320 -0.019 0.000 0.296 1019 A C -1.785 175.861 177.584 0.104 0.000 1.094 1019 A CA -0.644 51.506 52.037 0.188 0.000 0.718 1019 A CB 2.158 21.264 19.000 0.176 0.000 1.307 1019 A HN 1.444 nan 8.150 nan 0.000 0.408 1020 L N 1.261 122.497 121.223 0.022 0.000 2.439 1020 L HA 0.749 5.078 4.340 -0.019 0.000 0.270 1020 L C -1.582 175.163 176.870 -0.208 0.000 0.972 1020 L CA -0.090 54.703 54.840 -0.078 0.000 0.836 1020 L CB 1.300 43.302 42.059 -0.095 0.000 1.255 1020 L HN 0.617 nan 8.230 nan 0.000 0.404 1021 I N 4.587 125.029 120.570 -0.213 0.000 2.509 1021 I HA 0.455 4.614 4.170 -0.019 0.000 0.293 1021 I C -0.958 175.007 176.117 -0.252 0.000 1.020 1021 I CA -0.782 60.390 61.300 -0.212 0.000 1.088 1021 I CB 1.759 39.735 38.000 -0.040 0.000 1.267 1021 I HN 0.543 nan 8.210 nan 0.000 0.430 1022 H N 5.055 124.085 119.070 -0.067 0.000 2.538 1022 H HA 0.494 5.038 4.556 -0.019 0.000 0.353 1022 H C -0.864 174.313 175.328 -0.251 0.000 1.109 1022 H CA -0.782 55.128 56.048 -0.231 0.000 1.192 1022 H CB 2.448 31.931 29.762 -0.465 0.000 1.555 1022 H HN 0.156 nan 8.280 nan 0.000 0.518 1023 V N 4.571 124.429 119.914 -0.092 0.000 2.347 1023 V HA 0.195 4.303 4.120 -0.019 0.000 0.280 1023 V C -0.230 175.753 176.094 -0.184 0.000 1.021 1023 V CA -0.783 61.499 62.300 -0.029 0.000 0.847 1023 V CB 0.076 31.957 31.823 0.096 0.000 0.990 1023 V HN 0.581 nan 8.190 nan 0.000 0.444 1024 Y N 1.983 122.333 120.300 0.084 0.000 2.295 1024 Y HA 0.190 4.729 4.550 -0.019 0.000 0.331 1024 Y C 2.141 178.004 175.900 -0.061 0.000 1.311 1024 Y CA 0.261 58.359 58.100 -0.003 0.000 1.430 1024 Y CB 0.739 39.197 38.460 -0.003 0.000 1.339 1024 Y HN 0.741 nan 8.280 nan 0.000 0.552 1025 T N -3.384 111.185 114.554 0.025 0.000 3.072 1025 T HA -0.140 4.199 4.350 -0.019 0.000 0.266 1025 T C 0.830 175.489 174.700 -0.068 0.000 1.127 1025 T CA 1.035 63.057 62.100 -0.129 0.000 1.107 1025 T CB -0.338 68.319 68.868 -0.351 0.000 0.910 1025 T HN 0.742 nan 8.240 nan 0.000 0.513 1026 D N 0.846 121.251 120.400 0.008 0.000 2.340 1026 D HA 0.179 4.808 4.640 -0.019 0.000 0.220 1026 D C 1.686 178.035 176.300 0.080 0.000 1.039 1026 D CA 0.547 54.559 54.000 0.020 0.000 0.866 1026 D CB -0.716 40.094 40.800 0.016 0.000 0.913 1026 D HN 0.549 nan 8.370 nan 0.000 0.523 1027 G N 0.562 109.427 108.800 0.108 0.000 2.205 1027 G HA2 -0.312 3.637 3.960 -0.019 0.000 0.261 1027 G HA3 -0.312 3.637 3.960 -0.019 0.000 0.261 1027 G C 0.418 175.591 174.900 0.455 0.000 0.980 1027 G CA 0.538 45.796 45.100 0.263 0.000 0.632 1027 G HN 0.843 nan 8.290 nan 0.000 0.533 1028 S N -0.607 115.270 115.700 0.295 0.000 2.576 1028 S HA 0.642 5.101 4.470 -0.019 0.000 0.276 1028 S C 0.050 174.856 174.600 0.344 0.000 1.339 1028 S CA -0.030 58.335 58.200 0.275 0.000 1.039 1028 S CB 2.400 65.710 63.200 0.184 0.000 0.902 1028 S HN 1.094 nan 8.310 nan 0.000 0.516 1029 V N 3.351 123.434 119.914 0.282 0.000 2.495 1029 V HA 0.504 4.612 4.120 -0.019 0.000 0.298 1029 V C -0.575 175.667 176.094 0.247 0.000 1.031 1029 V CA -0.826 61.622 62.300 0.246 0.000 0.871 1029 V CB 1.347 33.280 31.823 0.184 0.000 0.988 1029 V HN 0.884 nan 8.190 nan 0.000 0.432 1030 L N 6.432 127.804 121.223 0.248 0.000 2.305 1030 L HA 0.673 5.001 4.340 -0.019 0.000 0.284 1030 L C -0.469 176.441 176.870 0.067 0.000 1.013 1030 L CA 0.060 55.043 54.840 0.237 0.000 0.819 1030 L CB 1.634 43.943 42.059 0.417 0.000 1.227 1030 L HN 0.453 nan 8.230 nan 0.000 0.417 1031 V N 4.051 123.983 119.914 0.030 0.000 2.427 1031 V HA 0.632 4.740 4.120 -0.019 0.000 0.286 1031 V C 0.044 176.102 176.094 -0.060 0.000 1.034 1031 V CA -0.380 61.911 62.300 -0.016 0.000 0.893 1031 V CB 1.556 33.392 31.823 0.022 0.000 0.982 1031 V HN 0.841 nan 8.190 nan 0.000 0.452 1032 S N 4.193 119.850 115.700 -0.072 0.000 2.500 1032 S HA 0.728 5.187 4.470 -0.019 0.000 0.301 1032 S C -0.873 173.712 174.600 -0.026 0.000 1.092 1032 S CA -0.624 57.507 58.200 -0.115 0.000 1.030 1032 S CB 0.772 63.905 63.200 -0.111 0.000 1.031 1032 S HN 1.038 nan 8.310 nan 0.000 0.483 1033 H N 0.813 119.822 119.070 -0.102 0.000 2.960 1033 H HA 0.463 5.008 4.556 -0.019 0.000 0.338 1033 H C 0.785 175.971 175.328 -0.236 0.000 1.261 1033 H CA -0.528 55.461 56.048 -0.097 0.000 1.136 1033 H CB 1.068 30.788 29.762 -0.070 0.000 1.875 1033 H HN 0.677 nan 8.280 nan 0.000 0.550 1034 G N -0.166 108.499 108.800 -0.224 0.000 2.598 1034 G HA2 0.100 4.049 3.960 -0.019 0.000 0.215 1034 G HA3 0.100 4.049 3.960 -0.019 0.000 0.215 1034 G C 0.707 175.263 174.900 -0.574 0.000 1.131 1034 G CA 0.351 45.301 45.100 -0.250 0.000 0.785 1034 G HN 0.801 nan 8.290 nan 0.000 0.539 1035 G N -0.108 108.064 108.800 -1.046 0.000 2.476 1035 G HA2 0.463 4.411 3.960 -0.019 0.000 0.269 1035 G HA3 0.463 4.411 3.960 -0.019 0.000 0.269 1035 G C 0.025 174.770 174.900 -0.259 0.000 1.195 1035 G CA 0.348 45.121 45.100 -0.545 0.000 0.843 1035 G HN 0.367 nan 8.290 nan 0.000 0.545 1036 T N -1.550 112.913 114.554 -0.153 0.000 2.918 1036 T HA 0.568 4.906 4.350 -0.019 0.000 0.286 1036 T C -0.501 174.042 174.700 -0.262 0.000 1.026 1036 T CA -0.823 61.180 62.100 -0.162 0.000 1.031 1036 T CB 2.315 71.119 68.868 -0.106 0.000 1.046 1036 T HN 0.446 nan 8.240 nan 0.000 0.479 1037 E N 2.172 122.164 120.200 -0.347 0.000 2.167 1037 E HA 0.421 4.760 4.350 -0.019 0.000 0.284 1037 E C 0.339 176.853 176.600 -0.144 0.000 1.016 1037 E CA -0.669 55.531 56.400 -0.334 0.000 0.817 1037 E CB 0.731 30.203 29.700 -0.379 0.000 1.080 1037 E HN 0.775 nan 8.360 nan 0.000 0.397 1038 M N 2.473 122.000 119.600 -0.121 0.000 2.504 1038 M HA 0.495 4.964 4.480 -0.019 0.000 0.370 1038 M C 0.743 176.982 176.300 -0.101 0.000 1.110 1038 M CA 0.122 55.346 55.300 -0.127 0.000 0.938 1038 M CB 0.828 33.297 32.600 -0.218 0.000 1.460 1038 M HN 0.582 nan 8.290 nan 0.000 0.535 1039 G N 1.636 110.438 108.800 0.003 0.000 2.255 1039 G HA2 -0.245 3.704 3.960 -0.019 0.000 0.196 1039 G HA3 -0.245 3.704 3.960 -0.019 0.000 0.196 1039 G C 0.826 175.796 174.900 0.117 0.000 0.998 1039 G CA 0.326 45.457 45.100 0.052 0.000 0.656 1039 G HN 0.580 nan 8.290 nan 0.000 0.490 1040 Q N 1.638 121.470 119.800 0.054 0.000 2.472 1040 Q HA 0.314 4.643 4.340 -0.019 0.000 0.208 1040 Q C 1.598 177.631 176.000 0.055 0.000 0.958 1040 Q CA 1.473 57.306 55.803 0.050 0.000 0.932 1040 Q CB -0.367 28.372 28.738 0.001 0.000 1.007 1040 Q HN 1.940 nan 8.270 nan 0.000 0.508 1041 G N 1.743 110.574 108.800 0.051 0.000 2.160 1041 G HA2 -0.290 3.659 3.960 -0.019 0.000 0.244 1041 G HA3 -0.290 3.659 3.960 -0.019 0.000 0.244 1041 G C 0.332 175.149 174.900 -0.138 0.000 1.022 1041 G CA 0.396 45.418 45.100 -0.130 0.000 0.741 1041 G HN 0.399 nan 8.290 nan 0.000 0.508 1042 L N 0.084 121.224 121.223 -0.137 0.000 2.017 1042 L HA 0.044 4.373 4.340 -0.019 0.000 0.208 1042 L C 2.590 179.428 176.870 -0.054 0.000 1.073 1042 L CA 2.886 57.661 54.840 -0.108 0.000 0.745 1042 L CB -0.503 41.487 42.059 -0.115 0.000 0.894 1042 L HN 0.404 nan 8.230 nan 0.000 0.432 1043 H N -0.822 118.218 119.070 -0.050 0.000 2.353 1043 H HA -0.099 4.446 4.556 -0.019 0.000 0.300 1043 H C 2.155 177.417 175.328 -0.110 0.000 1.090 1043 H CA 1.797 57.820 56.048 -0.041 0.000 1.327 1043 H CB -1.069 28.643 29.762 -0.083 0.000 1.383 1043 H HN 0.361 nan 8.280 nan 0.000 0.508 1044 T N 1.487 115.995 114.554 -0.077 0.000 2.597 1044 T HA -0.179 4.160 4.350 -0.019 0.000 0.267 1044 T C 2.030 176.701 174.700 -0.048 0.000 1.053 1044 T CA 1.815 63.851 62.100 -0.106 0.000 1.165 1044 T CB -0.090 68.655 68.868 -0.205 0.000 0.863 1044 T HN 0.379 nan 8.240 nan 0.000 0.427 1045 K N 0.308 120.681 120.400 -0.045 0.000 2.103 1045 K HA -0.020 4.289 4.320 -0.019 0.000 0.207 1045 K C 2.391 178.988 176.600 -0.005 0.000 1.048 1045 K CA 1.136 57.413 56.287 -0.017 0.000 0.930 1045 K CB -0.171 32.319 32.500 -0.017 0.000 0.716 1045 K HN 0.248 nan 8.250 nan 0.000 0.444 1046 M N 0.338 119.927 119.600 -0.018 0.000 2.229 1046 M HA -0.102 4.367 4.480 -0.019 0.000 0.264 1046 M C 2.239 178.544 176.300 0.008 0.000 1.063 1046 M CA 1.201 56.483 55.300 -0.030 0.000 1.114 1046 M CB -0.593 31.942 32.600 -0.109 0.000 1.387 1046 M HN -0.056 nan 8.290 nan 0.000 0.420 1047 V N 0.337 120.255 119.914 0.007 0.000 2.358 1047 V HA -0.252 3.857 4.120 -0.019 0.000 0.246 1047 V C 2.389 178.487 176.094 0.006 0.000 1.047 1047 V CA 1.467 63.769 62.300 0.003 0.000 1.035 1047 V CB -0.700 31.118 31.823 -0.008 0.000 0.658 1047 V HN 0.505 nan 8.190 nan 0.000 0.452 1048 Q N -0.572 119.231 119.800 0.005 0.000 2.084 1048 Q HA -0.177 4.151 4.340 -0.019 0.000 0.202 1048 Q C 2.362 178.384 176.000 0.036 0.000 0.978 1048 Q CA 1.832 57.637 55.803 0.004 0.000 0.844 1048 Q CB -0.339 28.398 28.738 -0.002 0.000 0.898 1048 Q HN 0.534 nan 8.270 nan 0.000 0.426 1049 V N 0.972 120.938 119.914 0.087 0.000 2.261 1049 V HA -0.288 3.821 4.120 -0.019 0.000 0.246 1049 V C 2.302 178.508 176.094 0.187 0.000 1.047 1049 V CA 1.894 64.322 62.300 0.213 0.000 1.015 1049 V CB -1.012 30.923 31.823 0.186 0.000 0.642 1049 V HN 0.414 nan 8.190 nan 0.000 0.446 1050 A N -0.366 122.511 122.820 0.094 0.000 1.908 1050 A HA -0.263 4.045 4.320 -0.019 0.000 0.218 1050 A C 2.591 180.182 177.584 0.011 0.000 1.181 1050 A CA 2.429 54.499 52.037 0.055 0.000 0.627 1050 A CB -0.888 18.129 19.000 0.029 0.000 0.818 1050 A HN 0.546 nan 8.150 nan 0.000 0.445 1051 S N -0.359 115.334 115.700 -0.012 0.000 2.356 1051 S HA -0.247 4.212 4.470 -0.019 0.000 0.223 1051 S C 2.129 176.699 174.600 -0.051 0.000 1.032 1051 S CA 2.025 60.189 58.200 -0.061 0.000 1.005 1051 S CB -0.352 62.813 63.200 -0.057 0.000 0.867 1051 S HN 0.612 nan 8.310 nan 0.000 0.449 1052 K N 0.538 120.928 120.400 -0.018 0.000 2.026 1052 K HA -0.025 4.284 4.320 -0.019 0.000 0.208 1052 K C 2.265 178.892 176.600 0.045 0.000 1.048 1052 K CA 1.242 57.504 56.287 -0.041 0.000 0.929 1052 K CB -0.628 31.765 32.500 -0.179 0.000 0.713 1052 K HN 0.436 nan 8.250 nan 0.000 0.439 1053 A N 1.050 123.957 122.820 0.146 0.000 1.902 1053 A HA -0.102 4.207 4.320 -0.019 0.000 0.217 1053 A C 2.016 179.621 177.584 0.035 0.000 1.181 1053 A CA 1.316 53.446 52.037 0.154 0.000 0.623 1053 A CB -0.488 18.584 19.000 0.120 0.000 0.818 1053 A HN 0.344 nan 8.150 nan 0.000 0.443 1054 L N -1.572 119.641 121.223 -0.016 0.000 2.509 1054 L HA 0.051 4.380 4.340 -0.019 0.000 0.222 1054 L C 0.203 177.020 176.870 -0.089 0.000 1.123 1054 L CA 0.258 55.061 54.840 -0.063 0.000 0.856 1054 L CB -0.131 41.813 42.059 -0.191 0.000 0.985 1054 L HN 0.329 nan 8.230 nan 0.000 0.456 1055 K N 1.427 121.788 120.400 -0.066 0.000 3.096 1055 K HA -0.186 4.123 4.320 -0.019 0.000 0.266 1055 K C -0.323 176.201 176.600 -0.128 0.000 1.043 1055 K CA 0.709 56.968 56.287 -0.047 0.000 0.758 1055 K CB -1.950 30.575 32.500 0.042 0.000 1.260 1055 K HN 0.528 nan 8.250 nan 0.000 0.481 1056 I N -4.029 116.393 120.570 -0.246 0.000 2.892 1056 I HA 0.644 4.803 4.170 -0.019 0.000 0.306 1056 I C -2.698 173.291 176.117 -0.213 0.000 1.078 1056 I CA -3.142 57.956 61.300 -0.336 0.000 1.032 1056 I CB 2.316 39.867 38.000 -0.748 0.000 1.229 1056 I HN -0.286 nan 8.210 nan 0.000 0.435 1057 P HA 0.237 nan 4.420 nan 0.000 0.272 1057 P C 1.041 178.287 177.300 -0.089 0.000 1.223 1057 P CA -0.347 62.692 63.100 -0.102 0.000 0.784 1057 P CB 0.625 32.280 31.700 -0.075 0.000 0.923 1058 I N -0.137 120.401 120.570 -0.053 0.000 2.530 1058 I HA -0.232 3.927 4.170 -0.019 0.000 0.257 1058 I C 1.590 177.704 176.117 -0.004 0.000 1.179 1058 I CA 1.913 63.197 61.300 -0.028 0.000 1.440 1058 I CB -1.052 36.940 38.000 -0.014 0.000 1.087 1058 I HN 0.234 nan 8.210 nan 0.000 0.440 1059 S N 1.181 116.876 115.700 -0.009 0.000 2.469 1059 S HA -0.089 4.369 4.470 -0.019 0.000 0.238 1059 S C 1.765 176.374 174.600 0.015 0.000 0.998 1059 S CA 0.735 58.940 58.200 0.009 0.000 0.957 1059 S CB -0.490 62.709 63.200 -0.002 0.000 0.764 1059 S HN 0.607 nan 8.310 nan 0.000 0.514 1060 K N 0.291 120.686 120.400 -0.009 0.000 2.404 1060 K HA 0.363 4.672 4.320 -0.019 0.000 0.194 1060 K C -0.138 176.495 176.600 0.054 0.000 1.023 1060 K CA 0.167 56.459 56.287 0.008 0.000 1.094 1060 K CB 0.120 32.580 32.500 -0.067 0.000 0.841 1060 K HN 0.463 nan 8.250 nan 0.000 0.523 1061 I N 0.209 120.814 120.570 0.059 0.000 2.530 1061 I HA 0.268 4.426 4.170 -0.019 0.000 0.297 1061 I C -1.032 175.195 176.117 0.184 0.000 1.011 1061 I CA -1.253 60.105 61.300 0.097 0.000 1.107 1061 I CB 1.307 39.328 38.000 0.035 0.000 1.285 1061 I HN -0.143 nan 8.210 nan 0.000 0.436 1062 Y N 5.838 126.154 120.300 0.026 0.000 2.492 1062 Y HA 0.658 5.197 4.550 -0.019 0.000 0.346 1062 Y C -1.267 174.622 175.900 -0.018 0.000 0.997 1062 Y CA -0.921 57.183 58.100 0.007 0.000 1.025 1062 Y CB 1.743 40.214 38.460 0.019 0.000 1.263 1062 Y HN 0.340 nan 8.280 nan 0.000 0.454 1063 I N 4.055 124.247 120.570 -0.630 0.000 2.418 1063 I HA 0.258 4.417 4.170 -0.019 0.000 0.287 1063 I C 0.394 175.988 176.117 -0.871 0.000 1.008 1063 I CA -0.306 60.638 61.300 -0.593 0.000 1.104 1063 I CB 2.135 39.776 38.000 -0.598 0.000 1.264 1063 I HN 0.705 nan 8.210 nan 0.000 0.438 1064 S N 5.024 120.444 115.700 -0.466 0.000 2.412 1064 S HA 0.147 4.606 4.470 -0.019 0.000 0.223 1064 S C 0.329 174.809 174.600 -0.201 0.000 1.048 1064 S CA 0.694 58.753 58.200 -0.235 0.000 0.954 1064 S CB 0.247 63.497 63.200 0.084 0.000 0.840 1064 S HN 0.824 nan 8.310 nan 0.000 0.503 1065 E N -1.234 118.830 120.200 -0.226 0.000 2.429 1065 E HA 0.355 4.694 4.350 -0.019 0.000 0.277 1065 E C -1.689 174.797 176.600 -0.191 0.000 1.130 1065 E CA -1.009 55.304 56.400 -0.145 0.000 0.875 1065 E CB 0.603 30.280 29.700 -0.039 0.000 1.443 1065 E HN -0.016 nan 8.360 nan 0.000 0.444 1066 T N 1.188 115.668 114.554 -0.124 0.000 2.794 1066 T HA 0.661 5.000 4.350 -0.019 0.000 0.280 1066 T C -0.875 173.763 174.700 -0.105 0.000 0.987 1066 T CA -0.463 61.542 62.100 -0.158 0.000 0.993 1066 T CB 1.127 69.905 68.868 -0.149 0.000 0.939 1066 T HN 0.610 nan 8.240 nan 0.000 0.449 1067 S N 0.229 115.869 115.700 -0.099 0.000 2.536 1067 S HA 0.404 4.863 4.470 -0.019 0.000 0.271 1067 S C 0.967 175.532 174.600 -0.059 0.000 1.134 1067 S CA -0.676 57.480 58.200 -0.074 0.000 0.897 1067 S CB 1.384 64.550 63.200 -0.057 0.000 1.094 1067 S HN 0.710 nan 8.310 nan 0.000 0.473 1068 T N -0.868 113.650 114.554 -0.059 0.000 3.072 1068 T HA -0.072 4.267 4.350 -0.019 0.000 0.266 1068 T C 1.137 175.821 174.700 -0.026 0.000 1.127 1068 T CA 1.202 63.277 62.100 -0.042 0.000 1.107 1068 T CB -0.741 68.097 68.868 -0.050 0.000 0.910 1068 T HN 0.744 nan 8.240 nan 0.000 0.513 1069 N N 1.438 120.123 118.700 -0.025 0.000 2.280 1069 N HA -0.006 4.722 4.740 -0.019 0.000 0.192 1069 N C 1.354 176.872 175.510 0.013 0.000 1.109 1069 N CA 0.875 53.920 53.050 -0.007 0.000 0.855 1069 N CB -0.283 38.198 38.487 -0.010 0.000 0.974 1069 N HN 0.641 nan 8.380 nan 0.000 0.482 1070 T N -3.044 111.516 114.554 0.009 0.000 3.071 1070 T HA 0.275 4.614 4.350 -0.019 0.000 0.239 1070 T C 0.441 175.155 174.700 0.024 0.000 0.997 1070 T CA 0.065 62.179 62.100 0.024 0.000 1.134 1070 T CB -0.114 68.760 68.868 0.009 0.000 0.928 1070 T HN -0.107 nan 8.240 nan 0.000 0.453 1071 V N 4.704 124.627 119.914 0.015 0.000 2.409 1071 V HA 0.519 4.628 4.120 -0.019 0.000 0.290 1071 V C -2.552 173.568 176.094 0.044 0.000 1.017 1071 V CA -1.967 60.362 62.300 0.048 0.000 0.841 1071 V CB 1.819 33.681 31.823 0.064 0.000 1.003 1071 V HN 0.363 nan 8.190 nan 0.000 0.426 1072 P HA 0.405 nan 4.420 nan 0.000 0.281 1072 P C -0.255 177.079 177.300 0.058 0.000 1.264 1072 P CA -0.383 62.738 63.100 0.034 0.000 0.824 1072 P CB 0.715 32.426 31.700 0.019 0.000 1.092 1073 N N -2.030 116.689 118.700 0.032 0.000 2.725 1073 N HA -0.129 4.600 4.740 -0.019 0.000 0.249 1073 N C -0.201 175.353 175.510 0.073 0.000 1.103 1073 N CA 1.017 54.089 53.050 0.037 0.000 0.707 1073 N CB -2.375 36.135 38.487 0.039 0.000 1.043 1073 N HN 0.621 nan 8.380 nan 0.000 0.553 1074 S N -1.611 114.133 115.700 0.073 0.000 2.564 1074 S HA 0.466 4.925 4.470 -0.019 0.000 0.278 1074 S C 0.719 175.360 174.600 0.069 0.000 1.333 1074 S CA -0.645 57.625 58.200 0.116 0.000 1.048 1074 S CB 1.715 64.984 63.200 0.115 0.000 0.900 1074 S HN 0.194 nan 8.310 nan 0.000 0.505 1075 S N 3.962 119.705 115.700 0.072 0.000 2.584 1075 S HA 0.314 4.773 4.470 -0.019 0.000 0.270 1075 S C -1.991 172.651 174.600 0.068 0.000 1.346 1075 S CA -0.778 57.399 58.200 -0.038 0.000 1.018 1075 S CB -0.231 62.827 63.200 -0.237 0.000 0.899 1075 S HN 0.724 nan 8.310 nan 0.000 0.542 1076 P HA 0.079 nan 4.420 nan 0.000 0.269 1076 P C -0.708 176.742 177.300 0.250 0.000 1.215 1076 P CA -0.221 62.949 63.100 0.116 0.000 0.780 1076 P CB 0.038 31.803 31.700 0.109 0.000 0.898 1077 T N 1.525 116.184 114.554 0.175 0.000 2.848 1077 T HA 0.493 4.832 4.350 -0.019 0.000 0.283 1077 T C 0.255 175.038 174.700 0.138 0.000 0.919 1077 T CA 0.325 62.537 62.100 0.187 0.000 1.071 1077 T CB -0.635 68.279 68.868 0.076 0.000 0.912 1077 T HN 0.614 nan 8.240 nan 0.000 0.570 1078 A N 2.151 125.064 122.820 0.154 0.000 2.493 1078 A HA 0.849 5.158 4.320 -0.019 0.000 0.300 1078 A C 0.573 177.950 177.584 -0.344 0.000 1.152 1078 A CA -0.289 51.746 52.037 -0.004 0.000 0.643 1078 A CB 0.090 19.158 19.000 0.113 0.000 1.316 1078 A HN 1.490 nan 8.150 nan 0.000 0.469 1079 A N -0.961 121.604 122.820 -0.424 0.000 2.861 1079 A HA 0.038 4.347 4.320 -0.019 0.000 0.261 1079 A C 1.238 178.644 177.584 -0.297 0.000 1.351 1079 A CA 1.840 53.550 52.037 -0.546 0.000 0.904 1079 A CB -2.458 15.787 19.000 -1.259 0.000 1.076 1079 A HN 2.515 nan 8.150 nan 0.000 0.729 1080 S N -4.518 111.078 115.700 -0.173 0.000 3.146 1080 S HA -0.340 4.118 4.470 -0.019 0.000 0.285 1080 S C 1.120 175.665 174.600 -0.093 0.000 1.293 1080 S CA 1.943 60.086 58.200 -0.096 0.000 1.137 1080 S CB -2.348 60.810 63.200 -0.070 0.000 1.357 1080 S HN 2.329 nan 8.310 nan 0.000 0.678 1081 V N -2.089 117.732 119.914 -0.154 0.000 3.621 1081 V HA 0.301 4.409 4.120 -0.019 0.000 0.285 1081 V C 1.594 177.662 176.094 -0.043 0.000 1.346 1081 V CA 0.931 63.164 62.300 -0.112 0.000 1.104 1081 V CB 0.405 32.117 31.823 -0.184 0.000 0.913 1081 V HN 0.365 nan 8.190 nan 0.000 0.432 1082 S N 1.659 117.377 115.700 0.030 0.000 2.368 1082 S HA -0.169 4.290 4.470 -0.019 0.000 0.225 1082 S C 1.977 176.661 174.600 0.140 0.000 1.030 1082 S CA 2.159 60.471 58.200 0.186 0.000 0.999 1082 S CB -0.533 62.844 63.200 0.295 0.000 0.844 1082 S HN 0.761 nan 8.310 nan 0.000 0.459 1083 T N 2.395 116.982 114.554 0.055 0.000 2.684 1083 T HA -0.124 4.214 4.350 -0.019 0.000 0.267 1083 T C 1.388 176.062 174.700 -0.044 0.000 1.036 1083 T CA 1.641 63.748 62.100 0.010 0.000 1.148 1083 T CB -0.615 68.258 68.868 0.007 0.000 0.863 1083 T HN 0.315 nan 8.240 nan 0.000 0.436 1084 D N 1.240 121.612 120.400 -0.047 0.000 2.092 1084 D HA -0.069 4.560 4.640 -0.019 0.000 0.193 1084 D C 2.161 178.316 176.300 -0.241 0.000 0.994 1084 D CA 1.151 55.091 54.000 -0.100 0.000 0.828 1084 D CB -0.389 40.416 40.800 0.008 0.000 0.963 1084 D HN 0.585 nan 8.370 nan 0.000 0.450 1085 I N -2.624 117.813 120.570 -0.222 0.000 2.400 1085 I HA -0.103 4.056 4.170 -0.019 0.000 0.248 1085 I C 1.819 177.701 176.117 -0.392 0.000 1.109 1085 I CA 0.782 61.905 61.300 -0.296 0.000 1.425 1085 I CB -0.669 37.188 38.000 -0.238 0.000 1.094 1085 I HN -0.067 nan 8.210 nan 0.000 0.425 1086 Y N 2.403 122.658 120.300 -0.075 0.000 2.293 1086 Y HA 0.057 4.596 4.550 -0.019 0.000 0.291 1086 Y C 2.841 178.642 175.900 -0.165 0.000 1.137 1086 Y CA 1.110 59.143 58.100 -0.112 0.000 1.202 1086 Y CB -0.796 37.557 38.460 -0.179 0.000 0.990 1086 Y HN 0.222 nan 8.280 nan 0.000 0.537 1087 G N -0.096 108.655 108.800 -0.081 0.000 2.446 1087 G HA2 -0.245 3.704 3.960 -0.019 0.000 0.217 1087 G HA3 -0.245 3.704 3.960 -0.019 0.000 0.217 1087 G C 1.550 176.360 174.900 -0.151 0.000 1.168 1087 G CA 0.878 45.911 45.100 -0.113 0.000 0.771 1087 G HN 0.258 nan 8.290 nan 0.000 0.551 1088 Q N 0.437 120.051 119.800 -0.311 0.000 2.084 1088 Q HA -0.035 4.294 4.340 -0.019 0.000 0.202 1088 Q C 3.025 178.980 176.000 -0.075 0.000 0.978 1088 Q CA 1.451 57.036 55.803 -0.363 0.000 0.844 1088 Q CB -0.672 27.465 28.738 -1.002 0.000 0.898 1088 Q HN 0.457 nan 8.270 nan 0.000 0.426 1089 A N 0.517 123.317 122.820 -0.033 0.000 1.877 1089 A HA -0.127 4.181 4.320 -0.019 0.000 0.216 1089 A C 2.477 180.126 177.584 0.108 0.000 1.186 1089 A CA 1.560 53.650 52.037 0.088 0.000 0.620 1089 A CB -0.778 18.294 19.000 0.119 0.000 0.822 1089 A HN 0.199 nan 8.150 nan 0.000 0.443 1090 V N -1.319 118.648 119.914 0.089 0.000 2.287 1090 V HA -0.310 3.799 4.120 -0.019 0.000 0.248 1090 V C 2.347 178.490 176.094 0.082 0.000 1.053 1090 V CA 2.255 64.602 62.300 0.079 0.000 1.027 1090 V CB -1.043 30.809 31.823 0.048 0.000 0.646 1090 V HN 0.715 nan 8.190 nan 0.000 0.447 1091 Y N 1.195 121.469 120.300 -0.043 0.000 2.114 1091 Y HA -0.260 4.279 4.550 -0.019 0.000 0.282 1091 Y C 2.657 178.553 175.900 -0.007 0.000 1.165 1091 Y CA 2.175 60.245 58.100 -0.050 0.000 1.148 1091 Y CB -0.116 38.246 38.460 -0.162 0.000 0.972 1091 Y HN 0.245 nan 8.280 nan 0.000 0.504 1092 E N 0.246 120.511 120.200 0.108 0.000 2.077 1092 E HA -0.189 4.150 4.350 -0.019 0.000 0.193 1092 E C 2.422 179.023 176.600 0.002 0.000 0.989 1092 E CA 1.092 57.526 56.400 0.057 0.000 0.800 1092 E CB -0.758 29.034 29.700 0.152 0.000 0.746 1092 E HN 0.593 nan 8.360 nan 0.000 0.452 1093 A N 0.800 123.639 122.820 0.032 0.000 1.902 1093 A HA -0.197 4.112 4.320 -0.019 0.000 0.217 1093 A C 2.631 180.213 177.584 -0.003 0.000 1.181 1093 A CA 1.475 53.530 52.037 0.030 0.000 0.623 1093 A CB -0.919 18.109 19.000 0.047 0.000 0.818 1093 A HN 0.345 nan 8.150 nan 0.000 0.443 1094 C N -0.881 118.392 119.300 -0.046 0.000 2.429 1094 C HA -0.094 4.354 4.460 -0.019 0.000 0.277 1094 C C 2.877 177.809 174.990 -0.097 0.000 1.262 1094 C CA 1.109 60.092 59.018 -0.058 0.000 1.733 1094 C CB -1.044 26.639 27.740 -0.096 0.000 2.010 1094 C HN 0.599 nan 8.230 nan 0.000 0.483 1095 Q N 0.393 120.064 119.800 -0.215 0.000 2.124 1095 Q HA -0.135 4.193 4.340 -0.019 0.000 0.202 1095 Q C 2.224 178.193 176.000 -0.052 0.000 0.977 1095 Q CA 1.892 57.590 55.803 -0.175 0.000 0.850 1095 Q CB -1.145 27.461 28.738 -0.221 0.000 0.901 1095 Q HN 0.647 nan 8.270 nan 0.000 0.429 1096 T N 1.586 116.127 114.554 -0.022 0.000 2.708 1096 T HA -0.067 4.271 4.350 -0.019 0.000 0.266 1096 T C 2.053 176.772 174.700 0.032 0.000 1.037 1096 T CA 0.943 63.051 62.100 0.013 0.000 1.146 1096 T CB -0.227 68.657 68.868 0.027 0.000 0.865 1096 T HN 0.187 nan 8.240 nan 0.000 0.435 1097 I N 0.755 121.353 120.570 0.047 0.000 2.163 1097 I HA -0.168 3.991 4.170 -0.019 0.000 0.243 1097 I C 2.285 178.459 176.117 0.095 0.000 1.085 1097 I CA 1.267 62.617 61.300 0.084 0.000 1.347 1097 I CB -0.400 37.684 38.000 0.141 0.000 1.044 1097 I HN 0.200 nan 8.210 nan 0.000 0.408 1098 L N 0.222 121.498 121.223 0.087 0.000 2.046 1098 L HA -0.211 4.118 4.340 -0.019 0.000 0.208 1098 L C 2.628 179.518 176.870 0.035 0.000 1.077 1098 L CA 1.120 56.009 54.840 0.082 0.000 0.747 1098 L CB -0.600 41.490 42.059 0.052 0.000 0.896 1098 L HN 0.183 nan 8.230 nan 0.000 0.432 1099 K N 0.353 120.765 120.400 0.020 0.000 2.097 1099 K HA -0.138 4.171 4.320 -0.019 0.000 0.206 1099 K C 2.121 178.734 176.600 0.021 0.000 1.049 1099 K CA 1.350 57.642 56.287 0.008 0.000 0.933 1099 K CB -0.365 32.139 32.500 0.007 0.000 0.717 1099 K HN 0.355 nan 8.250 nan 0.000 0.442 1100 R N 0.355 120.884 120.500 0.049 0.000 2.115 1100 R HA 0.083 4.411 4.340 -0.019 0.000 0.226 1100 R C 2.323 178.724 176.300 0.168 0.000 1.100 1100 R CA 0.625 56.778 56.100 0.089 0.000 0.980 1100 R CB -0.172 30.176 30.300 0.080 0.000 0.875 1100 R HN 0.109 nan 8.270 nan 0.000 0.445 1101 L N 0.266 121.562 121.223 0.122 0.000 2.418 1101 L HA -0.031 4.298 4.340 -0.019 0.000 0.218 1101 L C 2.231 179.139 176.870 0.065 0.000 1.125 1101 L CA 0.376 55.315 54.840 0.166 0.000 0.835 1101 L CB -0.150 41.932 42.059 0.039 0.000 0.953 1101 L HN 0.088 nan 8.230 nan 0.000 0.454 1102 E N 1.378 121.556 120.200 -0.036 0.000 2.070 1102 E HA -0.200 4.139 4.350 -0.019 0.000 0.197 1102 E C -0.653 175.819 176.600 -0.214 0.000 1.004 1102 E CA 1.794 58.108 56.400 -0.143 0.000 0.805 1102 E CB -1.020 28.619 29.700 -0.101 0.000 0.744 1102 E HN 0.236 nan 8.360 nan 0.000 0.451 1103 P HA -0.107 nan 4.420 nan 0.000 0.219 1103 P C 0.771 177.752 177.300 -0.531 0.000 1.146 1103 P CA 1.234 64.071 63.100 -0.440 0.000 0.808 1103 P CB -0.135 31.183 31.700 -0.637 0.000 0.779 1104 F N -0.128 119.728 119.950 -0.157 0.000 2.234 1104 F HA 0.040 4.555 4.527 -0.019 0.000 0.296 1104 F C 2.441 178.066 175.800 -0.292 0.000 1.089 1104 F CA 0.931 58.852 58.000 -0.131 0.000 1.343 1104 F CB -0.650 38.320 39.000 -0.050 0.000 1.040 1104 F HN -0.196 nan 8.300 nan 0.000 0.498 1105 K N 1.094 121.183 120.400 -0.517 0.000 2.057 1105 K HA -0.176 4.133 4.320 -0.019 0.000 0.207 1105 K C 1.990 178.385 176.600 -0.342 0.000 1.049 1105 K CA 1.362 57.083 56.287 -0.945 0.000 0.931 1105 K CB -0.054 31.786 32.500 -1.100 0.000 0.714 1105 K HN 0.122 nan 8.250 nan 0.000 0.440 1106 K N 0.522 120.774 120.400 -0.248 0.000 2.057 1106 K HA -0.144 4.165 4.320 -0.019 0.000 0.207 1106 K C 2.012 178.569 176.600 -0.072 0.000 1.049 1106 K CA 1.606 57.809 56.287 -0.141 0.000 0.931 1106 K CB 0.014 32.426 32.500 -0.147 0.000 0.714 1106 K HN 0.167 nan 8.250 nan 0.000 0.440 1107 K N 0.082 120.443 120.400 -0.065 0.000 2.217 1107 K HA -0.064 4.245 4.320 -0.019 0.000 0.202 1107 K C 0.805 177.451 176.600 0.076 0.000 1.051 1107 K CA 0.641 56.927 56.287 -0.001 0.000 0.952 1107 K CB 0.060 32.560 32.500 -0.000 0.000 0.736 1107 K HN -0.023 nan 8.250 nan 0.000 0.453 1108 N N 0.096 118.880 118.700 0.140 0.000 2.703 1108 N HA 0.111 4.839 4.740 -0.019 0.000 0.283 1108 N C -2.341 173.405 175.510 0.393 0.000 1.851 1108 N CA -1.835 51.373 53.050 0.263 0.000 0.826 1108 N CB 0.931 39.630 38.487 0.354 0.000 1.239 1108 N HN -0.162 nan 8.380 nan 0.000 0.495 1109 P HA 0.017 nan 4.420 nan 0.000 0.226 1109 P C -0.130 177.378 177.300 0.346 0.000 1.153 1109 P CA 1.037 64.288 63.100 0.252 0.000 0.777 1109 P CB 0.540 32.309 31.700 0.116 0.000 0.794 1110 D N -0.514 120.042 120.400 0.259 0.000 2.369 1110 D HA 0.119 4.748 4.640 -0.019 0.000 0.211 1110 D C 1.365 177.743 176.300 0.130 0.000 1.077 1110 D CA 0.150 54.259 54.000 0.182 0.000 0.842 1110 D CB 0.268 41.134 40.800 0.110 0.000 0.947 1110 D HN 0.115 nan 8.370 nan 0.000 0.509 1111 G N 0.900 109.809 108.800 0.182 0.000 2.651 1111 G HA2 0.301 4.250 3.960 -0.019 0.000 0.260 1111 G HA3 0.301 4.250 3.960 -0.019 0.000 0.260 1111 G C 0.413 175.042 174.900 -0.453 0.000 1.216 1111 G CA -0.265 44.803 45.100 -0.054 0.000 0.913 1111 G HN 0.152 nan 8.290 nan 0.000 0.535 1112 S N -0.839 114.512 115.700 -0.582 0.000 2.693 1112 S HA 0.144 4.602 4.470 -0.019 0.000 0.276 1112 S C 1.128 175.056 174.600 -1.121 0.000 1.192 1112 S CA -0.504 57.295 58.200 -0.667 0.000 0.994 1112 S CB 1.128 64.149 63.200 -0.298 0.000 1.012 1112 S HN 0.793 nan 8.310 nan 0.000 0.550 1113 W N 1.571 122.336 121.300 -0.891 0.000 2.304 1113 W HA -0.244 4.405 4.660 -0.018 0.000 0.315 1113 W C 1.179 177.555 176.519 -0.239 0.000 1.233 1113 W CA 2.420 59.495 57.345 -0.450 0.000 1.261 1113 W CB -0.527 28.850 29.460 -0.139 0.000 1.150 1113 W HN 0.853 nan 8.180 nan 0.000 0.494 1114 E N 0.675 120.779 120.200 -0.161 0.000 2.110 1114 E HA -0.207 4.132 4.350 -0.019 0.000 0.193 1114 E C 1.641 178.107 176.600 -0.223 0.000 0.988 1114 E CA 1.931 58.226 56.400 -0.176 0.000 0.804 1114 E CB -0.701 28.968 29.700 -0.052 0.000 0.745 1114 E HN 0.201 nan 8.360 nan 0.000 0.458 1115 D N -0.551 119.688 120.400 -0.268 0.000 2.117 1115 D HA -0.154 4.475 4.640 -0.019 0.000 0.197 1115 D C 1.592 177.845 176.300 -0.078 0.000 0.987 1115 D CA 0.815 54.706 54.000 -0.181 0.000 0.829 1115 D CB -0.247 40.429 40.800 -0.206 0.000 0.961 1115 D HN 0.292 nan 8.370 nan 0.000 0.460 1116 W N 1.078 122.293 121.300 -0.140 0.000 2.381 1116 W HA -0.040 4.609 4.660 -0.019 0.000 0.301 1116 W C 2.343 178.639 176.519 -0.373 0.000 1.205 1116 W CA 0.063 57.302 57.345 -0.175 0.000 1.285 1116 W CB -1.305 28.077 29.460 -0.130 0.000 1.133 1116 W HN -0.132 nan 8.180 nan 0.000 0.521 1117 V N 0.773 120.518 119.914 -0.282 0.000 2.295 1117 V HA -0.339 3.770 4.120 -0.019 0.000 0.246 1117 V C 2.301 178.256 176.094 -0.232 0.000 1.049 1117 V CA 2.289 64.364 62.300 -0.375 0.000 1.024 1117 V CB -0.950 30.570 31.823 -0.506 0.000 0.648 1117 V HN 0.042 nan 8.190 nan 0.000 0.447 1118 M N 0.763 120.265 119.600 -0.165 0.000 2.117 1118 M HA -0.068 4.400 4.480 -0.019 0.000 0.262 1118 M C 2.031 178.284 176.300 -0.078 0.000 1.065 1118 M CA 2.128 57.385 55.300 -0.072 0.000 1.114 1118 M CB -0.802 31.766 32.600 -0.054 0.000 1.361 1118 M HN 0.262 nan 8.290 nan 0.000 0.408 1119 A N -0.347 122.381 122.820 -0.154 0.000 1.902 1119 A HA 0.046 4.354 4.320 -0.019 0.000 0.217 1119 A C 2.373 179.585 177.584 -0.619 0.000 1.181 1119 A CA 2.047 53.956 52.037 -0.214 0.000 0.623 1119 A CB -1.418 17.564 19.000 -0.030 0.000 0.818 1119 A HN 0.629 nan 8.150 nan 0.000 0.443 1120 A N -1.258 120.947 122.820 -1.025 0.000 1.877 1120 A HA -0.123 4.186 4.320 -0.019 0.000 0.216 1120 A C 2.150 179.480 177.584 -0.424 0.000 1.186 1120 A CA 1.733 53.078 52.037 -1.153 0.000 0.620 1120 A CB -0.949 17.564 19.000 -0.812 0.000 0.822 1120 A HN 0.765 nan 8.150 nan 0.000 0.443 1121 Y N 0.755 120.860 120.300 -0.323 0.000 2.081 1121 Y HA -0.280 4.258 4.550 -0.019 0.000 0.280 1121 Y C 2.455 178.279 175.900 -0.127 0.000 1.163 1121 Y CA 2.453 60.447 58.100 -0.177 0.000 1.135 1121 Y CB -0.475 37.904 38.460 -0.135 0.000 0.970 1121 Y HN 0.441 nan 8.280 nan 0.000 0.498 1122 Q N -0.945 118.725 119.800 -0.217 0.000 2.364 1122 Q HA -0.168 4.161 4.340 -0.019 0.000 0.207 1122 Q C 0.988 176.880 176.000 -0.180 0.000 0.970 1122 Q CA 1.352 57.026 55.803 -0.215 0.000 0.888 1122 Q CB -0.110 28.610 28.738 -0.031 0.000 0.951 1122 Q HN 0.480 nan 8.270 nan 0.000 0.469 1123 D N -0.013 120.301 120.400 -0.144 0.000 2.328 1123 D HA 0.043 4.672 4.640 -0.019 0.000 0.221 1123 D C -0.475 175.787 176.300 -0.063 0.000 1.072 1123 D CA -0.062 53.925 54.000 -0.022 0.000 0.850 1123 D CB 0.176 41.101 40.800 0.208 0.000 0.922 1123 D HN 0.022 nan 8.370 nan 0.000 0.516 1124 R N -0.784 119.599 120.500 -0.195 0.000 3.423 1124 R HA -0.124 4.205 4.340 -0.019 0.000 0.271 1124 R C -0.866 175.388 176.300 -0.077 0.000 1.093 1124 R CA 0.061 56.053 56.100 -0.179 0.000 0.730 1124 R CB -2.286 27.931 30.300 -0.139 0.000 1.190 1124 R HN 0.033 nan 8.270 nan 0.000 0.437 1125 V N 0.873 120.750 119.914 -0.062 0.000 2.439 1125 V HA 0.189 4.298 4.120 -0.019 0.000 0.282 1125 V C 0.955 177.039 176.094 -0.017 0.000 1.039 1125 V CA -0.266 62.035 62.300 0.002 0.000 0.913 1125 V CB 1.826 33.694 31.823 0.075 0.000 0.983 1125 V HN 0.349 nan 8.190 nan 0.000 0.460 1126 S N 4.669 120.372 115.700 0.006 0.000 2.533 1126 S HA 0.281 4.740 4.470 -0.019 0.000 0.282 1126 S C 0.340 174.950 174.600 0.017 0.000 1.304 1126 S CA -0.340 57.868 58.200 0.013 0.000 1.063 1126 S CB 0.044 63.256 63.200 0.020 0.000 0.881 1126 S HN 0.583 nan 8.310 nan 0.000 0.493 1127 L N 4.356 125.588 121.223 0.014 0.000 2.984 1127 L HA 0.347 4.676 4.340 -0.019 0.000 0.246 1127 L C 0.429 177.317 176.870 0.029 0.000 1.268 1127 L CA -0.201 54.642 54.840 0.005 0.000 1.054 1127 L CB 0.370 42.413 42.059 -0.027 0.000 1.393 1127 L HN 0.517 nan 8.230 nan 0.000 0.532 1128 S N -0.466 115.270 115.700 0.060 0.000 2.557 1128 S HA 0.686 5.144 4.470 -0.019 0.000 0.291 1128 S C -0.635 174.023 174.600 0.096 0.000 1.116 1128 S CA -0.301 57.982 58.200 0.139 0.000 0.992 1128 S CB 1.868 65.178 63.200 0.184 0.000 1.028 1128 S HN 0.123 nan 8.310 nan 0.000 0.484 1129 T N 2.087 116.687 114.554 0.077 0.000 2.894 1129 T HA 0.655 4.993 4.350 -0.019 0.000 0.309 1129 T C -0.357 174.368 174.700 0.042 0.000 1.208 1129 T CA -0.328 61.805 62.100 0.055 0.000 1.016 1129 T CB 1.475 70.372 68.868 0.048 0.000 1.192 1129 T HN 0.829 nan 8.240 nan 0.000 0.491 1130 T N 0.602 115.188 114.554 0.054 0.000 2.874 1130 T HA 0.769 5.108 4.350 -0.019 0.000 0.281 1130 T C 0.475 175.233 174.700 0.097 0.000 0.994 1130 T CA -0.375 61.769 62.100 0.073 0.000 1.015 1130 T CB 1.181 70.095 68.868 0.078 0.000 1.028 1130 T HN 0.924 nan 8.240 nan 0.000 0.523 1131 G N -0.098 108.788 108.800 0.143 0.000 2.612 1131 G HA2 0.653 4.602 3.960 -0.019 0.000 0.298 1131 G HA3 0.653 4.602 3.960 -0.019 0.000 0.298 1131 G C -2.122 172.959 174.900 0.303 0.000 1.336 1131 G CA -0.845 44.364 45.100 0.182 0.000 0.953 1131 G HN 0.720 nan 8.290 nan 0.000 0.482 1132 F N 0.562 120.575 119.950 0.106 0.000 2.619 1132 F HA 0.704 5.220 4.527 -0.018 0.000 0.308 1132 F C -1.914 173.986 175.800 0.167 0.000 1.097 1132 F CA -1.117 56.951 58.000 0.114 0.000 0.953 1132 F CB 2.356 41.397 39.000 0.069 0.000 1.287 1132 F HN 0.566 nan 8.300 nan 0.000 0.446 1133 Y N 4.913 124.877 120.300 -0.561 0.000 2.492 1133 Y HA 0.639 5.178 4.550 -0.019 0.000 0.346 1133 Y C -1.462 174.104 175.900 -0.557 0.000 0.997 1133 Y CA -1.053 56.818 58.100 -0.381 0.000 1.025 1133 Y CB 1.518 39.815 38.460 -0.272 0.000 1.263 1133 Y HN 0.699 nan 8.280 nan 0.000 0.454 1134 R N 3.940 123.870 120.500 -0.951 0.000 2.473 1134 R HA 0.406 4.734 4.340 -0.019 0.000 0.303 1134 R C -1.251 174.456 176.300 -0.989 0.000 1.002 1134 R CA -0.483 55.200 56.100 -0.695 0.000 0.884 1134 R CB 1.172 31.320 30.300 -0.252 0.000 1.173 1134 R HN 0.824 nan 8.270 nan 0.000 0.464 1135 T N 7.061 121.127 114.554 -0.813 0.000 2.829 1135 T HA 0.123 4.461 4.350 -0.019 0.000 0.293 1135 T C -2.060 172.404 174.700 -0.394 0.000 0.970 1135 T CA -0.558 61.157 62.100 -0.642 0.000 1.168 1135 T CB 0.620 69.256 68.868 -0.386 0.000 0.911 1135 T HN 0.461 nan 8.240 nan 0.000 0.535 1136 P HA 0.261 nan 4.420 nan 0.000 0.279 1136 P C -0.044 177.235 177.300 -0.035 0.000 1.252 1136 P CA -0.552 62.475 63.100 -0.122 0.000 0.811 1136 P CB 0.501 32.180 31.700 -0.035 0.000 1.035 1137 N N -0.922 117.770 118.700 -0.013 0.000 2.747 1137 N HA -0.142 4.586 4.740 -0.019 0.000 0.249 1137 N C -0.630 174.887 175.510 0.010 0.000 1.107 1137 N CA 0.778 53.838 53.050 0.017 0.000 0.707 1137 N CB -1.844 36.676 38.487 0.054 0.000 1.054 1137 N HN 0.464 nan 8.380 nan 0.000 0.555 1138 L N -0.087 121.121 121.223 -0.025 0.000 2.322 1138 L HA 0.715 5.044 4.340 -0.019 0.000 0.279 1138 L C 1.004 177.853 176.870 -0.035 0.000 1.036 1138 L CA -0.425 54.388 54.840 -0.046 0.000 0.807 1138 L CB 1.901 43.912 42.059 -0.081 0.000 1.226 1138 L HN 0.225 nan 8.230 nan 0.000 0.433 1139 G N 1.885 110.664 108.800 -0.035 0.000 2.482 1139 G HA2 -0.021 3.927 3.960 -0.019 0.000 0.201 1139 G HA3 -0.021 3.927 3.960 -0.019 0.000 0.201 1139 G C -1.552 173.357 174.900 0.015 0.000 3.137 1139 G CA -0.757 44.340 45.100 -0.005 0.000 0.798 1139 G HN 0.393 nan 8.290 nan 0.000 0.493 1140 Y N 2.322 122.552 120.300 -0.117 0.000 2.319 1140 Y HA 0.681 5.220 4.550 -0.018 0.000 0.328 1140 Y C 0.433 176.310 175.900 -0.039 0.000 1.133 1140 Y CA -0.095 57.931 58.100 -0.122 0.000 1.265 1140 Y CB 1.784 40.096 38.460 -0.247 0.000 1.218 1140 Y HN 0.482 nan 8.280 nan 0.000 0.508 1141 S N 5.847 121.071 115.700 -0.793 0.000 2.456 1141 S HA 0.304 4.762 4.470 -0.019 0.000 0.316 1141 S C 0.259 174.333 174.600 -0.877 0.000 1.089 1141 S CA -0.657 57.215 58.200 -0.545 0.000 1.101 1141 S CB -0.012 63.021 63.200 -0.278 0.000 0.995 1141 S HN 0.722 nan 8.310 nan 0.000 0.468 1142 F N 2.906 122.629 119.950 -0.379 0.000 2.546 1142 F HA 0.081 4.597 4.527 -0.019 0.000 0.298 1142 F C 1.995 177.743 175.800 -0.087 0.000 1.120 1142 F CA 0.623 58.552 58.000 -0.117 0.000 1.456 1142 F CB 0.101 39.146 39.000 0.075 0.000 1.088 1142 F HN 0.549 nan 8.300 nan 0.000 0.572 1143 E N -0.892 119.329 120.200 0.036 0.000 2.170 1143 E HA -0.078 4.260 4.350 -0.019 0.000 0.191 1143 E C 2.176 178.764 176.600 -0.020 0.000 0.981 1143 E CA 1.589 58.003 56.400 0.023 0.000 0.830 1143 E CB -0.329 29.379 29.700 0.014 0.000 0.775 1143 E HN 0.324 nan 8.360 nan 0.000 0.470 1144 T N -2.809 111.690 114.554 -0.092 0.000 3.010 1144 T HA 0.104 4.442 4.350 -0.019 0.000 0.257 1144 T C 0.564 175.207 174.700 -0.095 0.000 1.020 1144 T CA 0.119 62.170 62.100 -0.082 0.000 0.938 1144 T CB -0.092 68.724 68.868 -0.087 0.000 1.049 1144 T HN 0.005 nan 8.240 nan 0.000 0.522 1145 N N 1.953 120.548 118.700 -0.174 0.000 2.705 1145 N HA -0.190 4.539 4.740 -0.019 0.000 0.255 1145 N C -0.472 175.028 175.510 -0.017 0.000 1.008 1145 N CA 0.867 53.865 53.050 -0.087 0.000 0.742 1145 N CB -1.404 37.139 38.487 0.093 0.000 0.906 1145 N HN 0.990 nan 8.380 nan 0.000 0.541 1146 S N -1.445 114.140 115.700 -0.191 0.000 2.615 1146 S HA 0.853 5.312 4.470 -0.019 0.000 0.269 1146 S C 0.057 174.622 174.600 -0.059 0.000 1.161 1146 S CA 0.068 58.247 58.200 -0.034 0.000 0.817 1146 S CB 1.606 64.781 63.200 -0.041 0.000 1.131 1146 S HN 1.564 nan 8.310 nan 0.000 0.467 1147 G N 1.286 110.106 108.800 0.033 0.000 2.785 1147 G HA2 -0.043 3.906 3.960 -0.019 0.000 0.686 1147 G HA3 -0.043 3.906 3.960 -0.019 0.000 0.686 1147 G C -1.207 173.761 174.900 0.112 0.000 1.155 1147 G CA -0.971 44.151 45.100 0.037 0.000 0.760 1147 G HN 0.908 nan 8.290 nan 0.000 0.624 1148 N N 0.608 119.335 118.700 0.046 0.000 2.452 1148 N HA 0.375 5.104 4.740 -0.019 0.000 0.266 1148 N C 1.335 176.755 175.510 -0.151 0.000 1.209 1148 N CA 0.582 53.633 53.050 0.001 0.000 0.929 1148 N CB 1.534 40.026 38.487 0.008 0.000 1.063 1148 N HN 1.028 nan 8.380 nan 0.000 0.472 1149 A N 2.991 125.567 122.820 -0.407 0.000 1.975 1149 A HA 0.143 4.451 4.320 -0.019 0.000 0.215 1149 A C 0.187 177.012 177.584 -1.266 0.000 1.170 1149 A CA 0.855 52.231 52.037 -1.102 0.000 0.656 1149 A CB 0.064 17.675 19.000 -2.314 0.000 0.821 1149 A HN 0.569 nan 8.150 nan 0.000 0.449 1150 F N -3.884 115.834 119.950 -0.386 0.000 2.611 1150 F HA 0.488 5.004 4.527 -0.018 0.000 0.324 1150 F C 1.059 176.706 175.800 -0.255 0.000 1.061 1150 F CA -0.742 56.990 58.000 -0.447 0.000 0.954 1150 F CB 1.077 39.577 39.000 -0.833 0.000 1.301 1150 F HN 0.091 nan 8.300 nan 0.000 0.482 1151 H N 0.320 119.303 119.070 -0.145 0.000 2.403 1151 H HA 0.078 4.623 4.556 -0.019 0.000 0.298 1151 H C -0.852 174.527 175.328 0.085 0.000 1.059 1151 H CA 1.705 57.740 56.048 -0.022 0.000 1.363 1151 H CB 0.210 30.005 29.762 0.055 0.000 1.410 1151 H HN 0.527 nan 8.280 nan 0.000 0.528 1152 Y N -4.353 115.831 120.300 -0.192 0.000 2.895 1152 Y HA 0.428 4.966 4.550 -0.019 0.000 0.339 1152 Y C -1.843 173.761 175.900 -0.494 0.000 1.363 1152 Y CA -1.993 55.977 58.100 -0.217 0.000 1.085 1152 Y CB 0.531 38.916 38.460 -0.125 0.000 1.500 1152 Y HN -0.208 nan 8.280 nan 0.000 0.442 1153 F N 0.294 120.228 119.950 -0.028 0.000 2.546 1153 F HA 0.704 5.220 4.527 -0.018 0.000 0.320 1153 F C -0.058 175.455 175.800 -0.478 0.000 1.076 1153 F CA -0.894 56.874 58.000 -0.387 0.000 0.928 1153 F CB 2.523 41.232 39.000 -0.485 0.000 1.189 1153 F HN 0.481 nan 8.300 nan 0.000 0.465 1154 T N 1.889 116.298 114.554 -0.243 0.000 2.875 1154 T HA 0.532 4.871 4.350 -0.019 0.000 0.284 1154 T C -1.183 173.344 174.700 -0.287 0.000 0.995 1154 T CA -0.383 61.624 62.100 -0.155 0.000 1.060 1154 T CB 0.493 69.387 68.868 0.043 0.000 0.967 1154 T HN 0.320 nan 8.240 nan 0.000 0.476 1155 Y N 0.069 120.460 120.300 0.151 0.000 2.536 1155 Y HA 0.727 5.266 4.550 -0.019 0.000 0.347 1155 Y C 0.639 176.586 175.900 0.080 0.000 1.000 1155 Y CA -0.912 57.241 58.100 0.087 0.000 1.051 1155 Y CB 2.643 41.081 38.460 -0.037 0.000 1.259 1155 Y HN 0.923 nan 8.280 nan 0.000 0.468 1156 G N 0.045 109.002 108.800 0.260 0.000 2.576 1156 G HA2 0.579 4.528 3.960 -0.019 0.000 0.290 1156 G HA3 0.579 4.528 3.960 -0.019 0.000 0.290 1156 G C -2.413 172.604 174.900 0.195 0.000 1.442 1156 G CA -0.724 44.488 45.100 0.188 0.000 0.792 1156 G HN 0.480 nan 8.290 nan 0.000 0.491 1157 V N -0.344 119.662 119.914 0.153 0.000 2.808 1157 V HA 0.860 4.969 4.120 -0.019 0.000 0.308 1157 V C -0.082 176.052 176.094 0.068 0.000 1.099 1157 V CA -0.302 62.089 62.300 0.152 0.000 0.920 1157 V CB 1.651 33.574 31.823 0.166 0.000 1.014 1157 V HN 1.698 nan 8.190 nan 0.000 0.425 1158 A N 2.546 125.403 122.820 0.062 0.000 2.393 1158 A HA 0.770 5.079 4.320 -0.019 0.000 0.306 1158 A C -0.893 176.682 177.584 -0.015 0.000 1.050 1158 A CA -0.459 51.591 52.037 0.023 0.000 0.724 1158 A CB 1.660 20.724 19.000 0.107 0.000 1.248 1158 A HN 1.066 nan 8.150 nan 0.000 0.424 1159 C N 2.122 121.393 119.300 -0.049 0.000 2.345 1159 C HA 0.841 5.290 4.460 -0.019 0.000 0.323 1159 C C 0.007 175.003 174.990 0.011 0.000 1.276 1159 C CA -0.062 58.937 59.018 -0.032 0.000 1.543 1159 C CB -0.008 27.696 27.740 -0.059 0.000 2.211 1159 C HN 0.832 nan 8.230 nan 0.000 0.493 1160 S N 3.678 119.408 115.700 0.050 0.000 2.542 1160 S HA 0.581 5.039 4.470 -0.019 0.000 0.293 1160 S C -1.209 173.407 174.600 0.026 0.000 1.089 1160 S CA -0.474 57.757 58.200 0.051 0.000 0.961 1160 S CB 1.710 64.980 63.200 0.115 0.000 1.062 1160 S HN 0.877 nan 8.310 nan 0.000 0.483 1161 E N 1.607 121.805 120.200 -0.002 0.000 2.222 1161 E HA 0.659 4.998 4.350 -0.019 0.000 0.267 1161 E C -1.234 175.348 176.600 -0.031 0.000 0.884 1161 E CA -0.794 55.585 56.400 -0.035 0.000 0.764 1161 E CB 1.464 31.124 29.700 -0.068 0.000 1.169 1161 E HN 0.511 nan 8.360 nan 0.000 0.413 1162 V N 0.481 120.368 119.914 -0.044 0.000 3.102 1162 V HA 0.669 4.778 4.120 -0.019 0.000 0.312 1162 V C -0.952 175.097 176.094 -0.075 0.000 1.135 1162 V CA -0.828 61.461 62.300 -0.018 0.000 1.022 1162 V CB 1.880 33.708 31.823 0.008 0.000 1.056 1162 V HN 0.812 nan 8.190 nan 0.000 0.436 1163 E N 2.148 122.318 120.200 -0.049 0.000 2.218 1163 E HA 0.621 4.960 4.350 -0.019 0.000 0.263 1163 E C -0.999 175.618 176.600 0.029 0.000 0.879 1163 E CA -0.904 55.441 56.400 -0.092 0.000 0.762 1163 E CB 1.992 31.581 29.700 -0.185 0.000 1.166 1163 E HN 0.939 nan 8.360 nan 0.000 0.415 1164 I N 0.707 121.308 120.570 0.051 0.000 2.498 1164 I HA 0.513 4.672 4.170 -0.019 0.000 0.301 1164 I C -0.291 175.893 176.117 0.112 0.000 0.984 1164 I CA -0.813 60.542 61.300 0.092 0.000 1.204 1164 I CB 1.609 39.640 38.000 0.053 0.000 1.362 1164 I HN 0.353 nan 8.210 nan 0.000 0.471 1165 D N 4.901 125.365 120.400 0.105 0.000 2.396 1165 D HA 0.243 4.872 4.640 -0.019 0.000 0.225 1165 D C 0.516 176.887 176.300 0.118 0.000 1.121 1165 D CA -0.429 53.637 54.000 0.111 0.000 0.853 1165 D CB 1.475 42.316 40.800 0.068 0.000 1.043 1165 D HN 0.754 nan 8.370 nan 0.000 0.500 1166 C N 3.439 122.847 119.300 0.181 0.000 2.456 1166 C HA 0.022 4.471 4.460 -0.019 0.000 0.279 1166 C C 2.545 177.653 174.990 0.196 0.000 1.427 1166 C CA -0.088 59.054 59.018 0.207 0.000 1.778 1166 C CB -0.850 27.067 27.740 0.294 0.000 1.842 1166 C HN 0.658 nan 8.230 nan 0.000 0.531 1167 L N 1.019 122.319 121.223 0.129 0.000 2.418 1167 L HA -0.007 4.322 4.340 -0.019 0.000 0.218 1167 L C 2.523 179.345 176.870 -0.081 0.000 1.125 1167 L CA 1.682 56.491 54.840 -0.050 0.000 0.835 1167 L CB -0.298 41.628 42.059 -0.222 0.000 0.953 1167 L HN 0.565 nan 8.230 nan 0.000 0.454 1168 T N -6.386 108.154 114.554 -0.023 0.000 2.966 1168 T HA 0.268 4.607 4.350 -0.019 0.000 0.254 1168 T C 1.442 176.140 174.700 -0.003 0.000 0.961 1168 T CA 0.571 62.650 62.100 -0.034 0.000 0.915 1168 T CB 1.038 69.883 68.868 -0.039 0.000 1.186 1168 T HN 0.243 nan 8.240 nan 0.000 0.505 1169 G N 1.424 110.239 108.800 0.025 0.000 2.176 1169 G HA2 -0.223 3.726 3.960 -0.019 0.000 0.253 1169 G HA3 -0.223 3.726 3.960 -0.019 0.000 0.253 1169 G C -0.148 174.788 174.900 0.060 0.000 0.979 1169 G CA 0.226 45.348 45.100 0.036 0.000 0.641 1169 G HN 0.733 nan 8.290 nan 0.000 0.530 1170 D N 1.144 121.573 120.400 0.048 0.000 2.360 1170 D HA 0.508 5.137 4.640 -0.019 0.000 0.242 1170 D C 0.710 177.077 176.300 0.113 0.000 1.184 1170 D CA 0.554 54.585 54.000 0.051 0.000 0.930 1170 D CB 0.360 41.155 40.800 -0.008 0.000 1.161 1170 D HN 0.644 nan 8.370 nan 0.000 0.447 1171 H N -1.227 117.823 119.070 -0.033 0.000 3.017 1171 H HA 0.473 5.017 4.556 -0.020 0.000 0.346 1171 H C -1.202 174.100 175.328 -0.044 0.000 1.286 1171 H CA -0.890 55.136 56.048 -0.037 0.000 1.120 1171 H CB 0.761 30.494 29.762 -0.048 0.000 1.860 1171 H HN 0.191 nan 8.280 nan 0.000 0.542 1172 K N 1.369 121.719 120.400 -0.083 0.000 2.221 1172 K HA 0.284 4.593 4.320 -0.019 0.000 0.258 1172 K C -0.674 175.921 176.600 -0.007 0.000 0.944 1172 K CA -1.011 55.197 56.287 -0.131 0.000 0.823 1172 K CB 1.381 33.837 32.500 -0.075 0.000 1.113 1172 K HN 0.445 nan 8.250 nan 0.000 0.431 1173 N N 3.937 122.607 118.700 -0.051 0.000 2.439 1173 N HA 0.103 4.832 4.740 -0.019 0.000 0.243 1173 N C 0.649 176.140 175.510 -0.032 0.000 1.088 1173 N CA 0.064 53.118 53.050 0.008 0.000 0.940 1173 N CB 0.773 39.256 38.487 -0.008 0.000 1.180 1173 N HN 0.451 nan 8.380 nan 0.000 0.505 1174 L N 1.210 122.414 121.223 -0.032 0.000 2.102 1174 L HA 0.144 4.473 4.340 -0.019 0.000 0.202 1174 L C 1.035 177.882 176.870 -0.038 0.000 1.076 1174 L CA 0.795 55.606 54.840 -0.048 0.000 0.761 1174 L CB 0.111 42.125 42.059 -0.076 0.000 0.921 1174 L HN 0.385 nan 8.230 nan 0.000 0.444 1175 R N -0.988 119.490 120.500 -0.035 0.000 2.561 1175 R HA 0.372 4.700 4.340 -0.019 0.000 0.266 1175 R C -1.678 174.605 176.300 -0.029 0.000 1.091 1175 R CA -0.272 55.812 56.100 -0.027 0.000 0.927 1175 R CB 1.994 32.277 30.300 -0.028 0.000 1.240 1175 R HN -0.214 nan 8.270 nan 0.000 0.449 1176 T N 2.628 117.163 114.554 -0.032 0.000 2.886 1176 T HA 0.375 4.713 4.350 -0.019 0.000 0.292 1176 T C -1.676 173.008 174.700 -0.028 0.000 1.012 1176 T CA -0.615 61.445 62.100 -0.067 0.000 0.982 1176 T CB 1.624 70.346 68.868 -0.243 0.000 1.018 1176 T HN 0.527 nan 8.240 nan 0.000 0.451 1177 D N 1.918 122.283 120.400 -0.059 0.000 2.502 1177 D HA 0.610 5.238 4.640 -0.019 0.000 0.249 1177 D C -0.610 175.639 176.300 -0.085 0.000 1.092 1177 D CA -0.337 53.628 54.000 -0.059 0.000 0.839 1177 D CB 1.541 42.306 40.800 -0.058 0.000 1.264 1177 D HN 0.352 nan 8.370 nan 0.000 0.511 1178 I N 1.632 122.151 120.570 -0.086 0.000 2.509 1178 I HA 0.466 4.625 4.170 -0.019 0.000 0.293 1178 I C -0.840 175.251 176.117 -0.044 0.000 1.020 1178 I CA -1.146 60.113 61.300 -0.069 0.000 1.088 1178 I CB 2.128 40.076 38.000 -0.087 0.000 1.267 1178 I HN 0.018 nan 8.210 nan 0.000 0.430 1179 V N 6.277 126.182 119.914 -0.015 0.000 2.407 1179 V HA 0.437 4.546 4.120 -0.019 0.000 0.291 1179 V C -0.384 175.733 176.094 0.039 0.000 1.018 1179 V CA -0.435 61.866 62.300 0.002 0.000 0.842 1179 V CB 1.661 33.483 31.823 -0.002 0.000 0.996 1179 V HN 0.628 nan 8.190 nan 0.000 0.426 1180 M N 4.124 123.747 119.600 0.039 0.000 2.311 1180 M HA 0.495 4.964 4.480 -0.019 0.000 0.325 1180 M C -0.698 175.645 176.300 0.072 0.000 1.061 1180 M CA -0.459 54.881 55.300 0.067 0.000 0.957 1180 M CB 1.559 34.192 32.600 0.056 0.000 1.646 1180 M HN 0.640 nan 8.290 nan 0.000 0.434 1181 D N 3.709 124.174 120.400 0.109 0.000 2.411 1181 D HA 0.270 4.899 4.640 -0.019 0.000 0.225 1181 D C 0.142 176.508 176.300 0.109 0.000 1.156 1181 D CA -0.233 53.837 54.000 0.117 0.000 0.874 1181 D CB 0.590 41.502 40.800 0.187 0.000 1.034 1181 D HN 0.422 nan 8.370 nan 0.000 0.502 1182 V N 2.083 122.041 119.914 0.073 0.000 3.043 1182 V HA 0.599 4.707 4.120 -0.019 0.000 0.357 1182 V C 1.138 177.256 176.094 0.040 0.000 1.372 1182 V CA 0.246 62.584 62.300 0.063 0.000 1.214 1182 V CB -0.447 31.405 31.823 0.047 0.000 1.224 1182 V HN 0.655 nan 8.190 nan 0.000 0.507 1183 G N 1.395 110.216 108.800 0.035 0.000 2.564 1183 G HA2 -0.252 3.697 3.960 -0.019 0.000 0.273 1183 G HA3 -0.252 3.697 3.960 -0.019 0.000 0.273 1183 G C 0.033 174.934 174.900 0.002 0.000 1.242 1183 G CA 0.020 45.120 45.100 0.000 0.000 0.951 1183 G HN 1.008 nan 8.290 nan 0.000 0.564 1184 S N 0.404 116.100 115.700 -0.008 0.000 2.411 1184 S HA 0.504 4.963 4.470 -0.019 0.000 0.304 1184 S C 0.604 175.207 174.600 0.005 0.000 1.098 1184 S CA 0.628 58.828 58.200 -0.001 0.000 1.068 1184 S CB 1.104 64.303 63.200 -0.001 0.000 1.032 1184 S HN 1.214 nan 8.310 nan 0.000 0.511 1185 S N 3.257 118.960 115.700 0.005 0.000 2.549 1185 S HA 0.136 4.595 4.470 -0.019 0.000 0.286 1185 S C 1.303 175.908 174.600 0.008 0.000 1.314 1185 S CA -0.583 57.623 58.200 0.009 0.000 1.062 1185 S CB 0.078 63.282 63.200 0.006 0.000 0.865 1185 S HN 0.658 nan 8.310 nan 0.000 0.498 1186 L N 3.334 124.567 121.223 0.016 0.000 2.291 1186 L HA 0.127 4.456 4.340 -0.019 0.000 0.214 1186 L C 1.063 177.934 176.870 0.001 0.000 1.120 1186 L CA 0.473 55.323 54.840 0.017 0.000 0.799 1186 L CB -0.278 41.802 42.059 0.036 0.000 0.925 1186 L HN 0.636 nan 8.230 nan 0.000 0.446 1187 N N -1.185 117.516 118.700 0.002 0.000 3.049 1187 N HA 0.111 4.840 4.740 -0.019 0.000 0.241 1187 N C -2.406 173.105 175.510 0.002 0.000 1.323 1187 N CA -0.880 52.169 53.050 -0.001 0.000 0.824 1187 N CB 1.427 39.914 38.487 0.000 0.000 1.557 1187 N HN -0.298 nan 8.380 nan 0.000 0.612 1188 P HA -0.026 nan 4.420 nan 0.000 0.218 1188 P C 1.088 178.385 177.300 -0.005 0.000 1.149 1188 P CA 1.173 64.270 63.100 -0.005 0.000 0.817 1188 P CB 0.399 32.093 31.700 -0.010 0.000 0.785 1189 A N -0.246 122.573 122.820 -0.001 0.000 1.873 1189 A HA -0.160 4.149 4.320 -0.019 0.000 0.215 1189 A C 2.108 179.700 177.584 0.014 0.000 1.186 1189 A CA 1.408 53.446 52.037 0.003 0.000 0.616 1189 A CB -1.475 17.532 19.000 0.011 0.000 0.823 1189 A HN 0.014 nan 8.150 nan 0.000 0.442 1190 I N 0.646 121.230 120.570 0.023 0.000 2.226 1190 I HA -0.185 3.974 4.170 -0.019 0.000 0.245 1190 I C 1.693 177.827 176.117 0.029 0.000 1.100 1190 I CA 1.565 62.886 61.300 0.036 0.000 1.374 1190 I CB -1.501 36.518 38.000 0.032 0.000 1.057 1190 I HN 0.283 nan 8.210 nan 0.000 0.413 1191 D N 0.688 121.099 120.400 0.018 0.000 2.144 1191 D HA -0.073 4.556 4.640 -0.019 0.000 0.200 1191 D C 2.377 178.682 176.300 0.009 0.000 0.978 1191 D CA 0.928 54.939 54.000 0.018 0.000 0.833 1191 D CB -0.056 40.753 40.800 0.016 0.000 0.961 1191 D HN 0.305 nan 8.370 nan 0.000 0.470 1192 I N 0.929 121.494 120.570 -0.008 0.000 2.286 1192 I HA -0.156 4.003 4.170 -0.019 0.000 0.248 1192 I C 2.486 178.582 176.117 -0.035 0.000 1.115 1192 I CA 1.206 62.483 61.300 -0.038 0.000 1.392 1192 I CB -0.375 37.588 38.000 -0.062 0.000 1.065 1192 I HN 0.016 nan 8.210 nan 0.000 0.418 1193 G N -0.028 108.768 108.800 -0.007 0.000 2.422 1193 G HA2 -0.227 3.722 3.960 -0.019 0.000 0.218 1193 G HA3 -0.227 3.722 3.960 -0.019 0.000 0.218 1193 G C 1.596 176.527 174.900 0.052 0.000 1.146 1193 G CA 0.372 45.482 45.100 0.017 0.000 0.769 1193 G HN 0.285 nan 8.290 nan 0.000 0.547 1194 Q N 0.103 119.936 119.800 0.056 0.000 2.079 1194 Q HA -0.015 4.314 4.340 -0.019 0.000 0.200 1194 Q C 3.002 179.054 176.000 0.088 0.000 0.974 1194 Q CA 0.881 56.730 55.803 0.078 0.000 0.840 1194 Q CB -0.631 28.143 28.738 0.060 0.000 0.898 1194 Q HN 0.412 nan 8.270 nan 0.000 0.430 1195 V N 1.515 121.468 119.914 0.064 0.000 2.295 1195 V HA -0.257 3.852 4.120 -0.019 0.000 0.246 1195 V C 2.149 178.332 176.094 0.149 0.000 1.049 1195 V CA 1.964 64.316 62.300 0.086 0.000 1.024 1195 V CB -0.517 31.327 31.823 0.034 0.000 0.648 1195 V HN 0.384 nan 8.190 nan 0.000 0.447 1196 E N 0.246 120.496 120.200 0.082 0.000 2.051 1196 E HA -0.160 4.179 4.350 -0.019 0.000 0.192 1196 E C 2.316 179.096 176.600 0.299 0.000 0.991 1196 E CA 1.317 57.817 56.400 0.167 0.000 0.799 1196 E CB -0.517 29.138 29.700 -0.075 0.000 0.748 1196 E HN 0.646 nan 8.360 nan 0.000 0.449 1197 G N 1.029 109.942 108.800 0.188 0.000 2.402 1197 G HA2 -0.206 3.743 3.960 -0.019 0.000 0.216 1197 G HA3 -0.206 3.743 3.960 -0.019 0.000 0.216 1197 G C 1.691 176.692 174.900 0.169 0.000 1.162 1197 G CA 0.778 45.982 45.100 0.174 0.000 0.777 1197 G HN 0.338 nan 8.290 nan 0.000 0.539 1198 A N 0.549 123.478 122.820 0.181 0.000 1.877 1198 A HA 0.051 4.359 4.320 -0.019 0.000 0.216 1198 A C 2.170 179.844 177.584 0.151 0.000 1.186 1198 A CA 1.591 53.717 52.037 0.149 0.000 0.620 1198 A CB -0.612 18.465 19.000 0.128 0.000 0.822 1198 A HN 0.425 nan 8.150 nan 0.000 0.443 1199 F N 0.815 120.825 119.950 0.101 0.000 2.095 1199 F HA -0.182 4.333 4.527 -0.021 0.000 0.298 1199 F C 2.163 177.992 175.800 0.048 0.000 1.104 1199 F CA 2.148 60.209 58.000 0.102 0.000 1.232 1199 F CB -0.268 38.843 39.000 0.186 0.000 0.987 1199 F HN 0.027 nan 8.300 nan 0.000 0.475 1200 V N 0.374 120.362 119.914 0.123 0.000 2.427 1200 V HA -0.292 3.817 4.120 -0.019 0.000 0.248 1200 V C 2.316 178.312 176.094 -0.164 0.000 1.051 1200 V CA 2.090 64.356 62.300 -0.056 0.000 1.048 1200 V CB -0.788 31.082 31.823 0.078 0.000 0.666 1200 V HN 0.415 nan 8.190 nan 0.000 0.456 1201 Q N -0.080 119.652 119.800 -0.114 0.000 2.170 1201 Q HA -0.147 4.182 4.340 -0.019 0.000 0.203 1201 Q C 2.347 178.188 176.000 -0.266 0.000 0.976 1201 Q CA 1.637 57.342 55.803 -0.164 0.000 0.858 1201 Q CB -0.416 28.266 28.738 -0.092 0.000 0.907 1201 Q HN 0.739 nan 8.270 nan 0.000 0.433 1202 G N 1.059 109.698 108.800 -0.269 0.000 2.394 1202 G HA2 -0.236 3.713 3.960 -0.019 0.000 0.214 1202 G HA3 -0.236 3.713 3.960 -0.019 0.000 0.214 1202 G C 1.382 176.093 174.900 -0.315 0.000 1.176 1202 G CA 0.368 45.276 45.100 -0.321 0.000 0.786 1202 G HN 0.308 nan 8.290 nan 0.000 0.533 1203 L N 0.835 121.808 121.223 -0.417 0.000 2.021 1203 L HA -0.080 4.249 4.340 -0.019 0.000 0.215 1203 L C 2.840 179.574 176.870 -0.226 0.000 1.074 1203 L CA 2.217 56.853 54.840 -0.340 0.000 0.760 1203 L CB -0.606 41.187 42.059 -0.443 0.000 0.889 1203 L HN 0.263 nan 8.230 nan 0.000 0.433 1204 G N -0.153 108.487 108.800 -0.268 0.000 2.459 1204 G HA2 -0.340 3.608 3.960 -0.019 0.000 0.217 1204 G HA3 -0.340 3.608 3.960 -0.019 0.000 0.217 1204 G C 1.480 176.191 174.900 -0.316 0.000 1.183 1204 G CA 0.920 45.859 45.100 -0.267 0.000 0.776 1204 G HN 0.400 nan 8.290 nan 0.000 0.552 1205 L N -0.182 120.766 121.223 -0.458 0.000 2.013 1205 L HA -0.008 4.320 4.340 -0.019 0.000 0.212 1205 L C 2.442 178.967 176.870 -0.575 0.000 1.073 1205 L CA 1.827 56.285 54.840 -0.636 0.000 0.753 1205 L CB -0.615 40.828 42.059 -1.027 0.000 0.890 1205 L HN 0.275 nan 8.230 nan 0.000 0.432 1206 F N -1.543 118.245 119.950 -0.270 0.000 2.743 1206 F HA 0.035 4.552 4.527 -0.017 0.000 0.297 1206 F C 1.870 177.637 175.800 -0.054 0.000 1.131 1206 F CA 0.701 58.555 58.000 -0.244 0.000 1.426 1206 F CB -0.114 38.734 39.000 -0.255 0.000 1.116 1206 F HN 0.328 nan 8.300 nan 0.000 0.583 1207 T N -5.050 109.531 114.554 0.045 0.000 3.028 1207 T HA 0.193 4.532 4.350 -0.019 0.000 0.262 1207 T C 0.959 175.654 174.700 -0.008 0.000 0.916 1207 T CA 0.098 62.221 62.100 0.038 0.000 0.873 1207 T CB 0.101 68.990 68.868 0.036 0.000 1.232 1207 T HN 0.014 nan 8.240 nan 0.000 0.529 1208 L N 0.583 121.752 121.223 -0.090 0.000 2.713 1208 L HA 0.561 4.890 4.340 -0.019 0.000 0.223 1208 L C 0.272 177.002 176.870 -0.233 0.000 1.040 1208 L CA 0.498 55.252 54.840 -0.144 0.000 0.894 1208 L CB 0.150 42.101 42.059 -0.181 0.000 1.361 1208 L HN 0.252 nan 8.230 nan 0.000 0.490 1209 E N 1.367 121.391 120.200 -0.294 0.000 2.152 1209 E HA 0.260 4.599 4.350 -0.019 0.000 0.285 1209 E C -0.335 176.158 176.600 -0.179 0.000 1.043 1209 E CA 0.032 56.160 56.400 -0.454 0.000 0.839 1209 E CB 0.859 30.295 29.700 -0.439 0.000 1.069 1209 E HN 0.077 nan 8.360 nan 0.000 0.399 1210 E N 4.775 124.917 120.200 -0.097 0.000 2.265 1210 E HA 0.226 4.565 4.350 -0.019 0.000 0.262 1210 E C -1.269 175.500 176.600 0.281 0.000 0.889 1210 E CA -0.516 55.952 56.400 0.113 0.000 0.789 1210 E CB 0.898 30.633 29.700 0.059 0.000 1.221 1210 E HN 0.409 nan 8.360 nan 0.000 0.414 1211 L N 3.740 125.147 121.223 0.307 0.000 2.334 1211 L HA 0.441 4.770 4.340 -0.019 0.000 0.277 1211 L C -0.269 176.713 176.870 0.187 0.000 1.075 1211 L CA -0.643 54.315 54.840 0.196 0.000 0.804 1211 L CB 0.927 43.065 42.059 0.132 0.000 1.174 1211 L HN 0.576 nan 8.230 nan 0.000 0.438 1212 H N 1.910 120.902 119.070 -0.130 0.000 2.771 1212 H HA 0.522 5.067 4.556 -0.018 0.000 0.361 1212 H C -1.661 173.536 175.328 -0.218 0.000 1.108 1212 H CA -0.530 55.516 56.048 -0.003 0.000 1.201 1212 H CB 1.200 31.024 29.762 0.104 0.000 1.681 1212 H HN 0.297 nan 8.280 nan 0.000 0.534 1213 Y N 1.545 121.630 120.300 -0.358 0.000 2.524 1213 Y HA 0.350 4.889 4.550 -0.019 0.000 0.344 1213 Y C 0.542 176.193 175.900 -0.415 0.000 1.012 1213 Y CA -0.747 57.155 58.100 -0.331 0.000 1.068 1213 Y CB 1.879 40.236 38.460 -0.173 0.000 1.249 1213 Y HN 0.738 nan 8.280 nan 0.000 0.468 1214 S N 1.368 116.896 115.700 -0.287 0.000 2.589 1214 S HA 0.153 4.612 4.470 -0.019 0.000 0.265 1214 S C -2.013 172.581 174.600 -0.011 0.000 1.342 1214 S CA -0.895 57.266 58.200 -0.065 0.000 1.005 1214 S CB 0.957 64.091 63.200 -0.111 0.000 0.909 1214 S HN 0.484 nan 8.310 nan 0.000 0.555 1215 P HA -0.055 nan 4.420 nan 0.000 0.219 1215 P C 0.639 177.935 177.300 -0.007 0.000 1.146 1215 P CA 1.145 64.253 63.100 0.013 0.000 0.808 1215 P CB -0.071 31.645 31.700 0.027 0.000 0.779 1216 E N -1.522 118.673 120.200 -0.009 0.000 2.511 1216 E HA 0.205 4.544 4.350 -0.019 0.000 0.196 1216 E C 1.358 177.941 176.600 -0.030 0.000 1.066 1216 E CA 0.739 57.127 56.400 -0.020 0.000 0.871 1216 E CB -0.865 28.822 29.700 -0.022 0.000 0.863 1216 E HN 0.191 nan 8.360 nan 0.000 0.520 1217 G N 0.418 109.202 108.800 -0.026 0.000 2.130 1217 G HA2 -0.264 3.685 3.960 -0.019 0.000 0.216 1217 G HA3 -0.264 3.685 3.960 -0.019 0.000 0.216 1217 G C 0.208 175.138 174.900 0.050 0.000 0.999 1217 G CA 0.310 45.402 45.100 -0.015 0.000 0.686 1217 G HN 0.266 nan 8.290 nan 0.000 0.515 1218 S N -0.202 115.489 115.700 -0.014 0.000 2.429 1218 S HA 0.631 5.090 4.470 -0.019 0.000 0.302 1218 S C 0.397 174.885 174.600 -0.187 0.000 1.115 1218 S CA -0.685 57.475 58.200 -0.065 0.000 1.095 1218 S CB 0.859 63.984 63.200 -0.125 0.000 0.987 1218 S HN 1.110 nan 8.310 nan 0.000 0.474 1219 L N 6.450 127.608 121.223 -0.108 0.000 2.559 1219 L HA 0.198 4.527 4.340 -0.019 0.000 0.274 1219 L C 1.122 177.820 176.870 -0.288 0.000 1.205 1219 L CA 0.929 55.560 54.840 -0.348 0.000 0.907 1219 L CB 0.197 42.116 42.059 -0.234 0.000 1.153 1219 L HN 0.804 nan 8.230 nan 0.000 0.490 1220 H N 1.773 120.744 119.070 -0.165 0.000 2.486 1220 H HA 0.105 4.649 4.556 -0.019 0.000 0.287 1220 H C 0.252 175.578 175.328 -0.003 0.000 1.010 1220 H CA 1.032 57.062 56.048 -0.031 0.000 1.324 1220 H CB 0.075 29.871 29.762 0.057 0.000 1.446 1220 H HN 0.671 nan 8.280 nan 0.000 0.537 1221 T N -0.048 114.553 114.554 0.079 0.000 2.891 1221 T HA 0.432 4.771 4.350 -0.019 0.000 0.315 1221 T C 0.737 175.463 174.700 0.043 0.000 1.054 1221 T CA -0.662 61.500 62.100 0.104 0.000 0.958 1221 T CB 0.671 69.634 68.868 0.159 0.000 1.008 1221 T HN 0.171 nan 8.240 nan 0.000 0.521 1222 R N 1.812 122.359 120.500 0.078 0.000 2.596 1222 R HA 0.476 4.805 4.340 -0.019 0.000 0.369 1222 R C 0.685 177.048 176.300 0.104 0.000 1.042 1222 R CA -0.543 55.590 56.100 0.057 0.000 1.120 1222 R CB 1.183 31.513 30.300 0.050 0.000 1.353 1222 R HN 0.822 nan 8.270 nan 0.000 0.564 1223 G N 0.238 109.145 108.800 0.179 0.000 2.495 1223 G HA2 0.139 4.087 3.960 -0.019 0.000 0.294 1223 G HA3 0.139 4.087 3.960 -0.019 0.000 0.294 1223 G C -2.612 172.484 174.900 0.327 0.000 1.397 1223 G CA -0.756 44.496 45.100 0.253 0.000 0.790 1223 G HN -0.298 nan 8.290 nan 0.000 0.486 1224 P HA -0.061 nan 4.420 nan 0.000 0.225 1224 P C 1.869 179.229 177.300 0.100 0.000 1.148 1224 P CA 1.863 65.084 63.100 0.201 0.000 0.779 1224 P CB 0.144 31.971 31.700 0.213 0.000 0.780 1225 S N -0.529 115.238 115.700 0.111 0.000 2.428 1225 S HA -0.073 4.385 4.470 -0.019 0.000 0.230 1225 S C 1.702 176.337 174.600 0.058 0.000 1.014 1225 S CA 1.688 59.928 58.200 0.066 0.000 0.957 1225 S CB -1.604 61.635 63.200 0.064 0.000 0.784 1225 S HN 0.325 nan 8.310 nan 0.000 0.499 1226 T N -3.560 111.054 114.554 0.099 0.000 3.003 1226 T HA 0.312 4.650 4.350 -0.019 0.000 0.261 1226 T C -0.319 174.470 174.700 0.148 0.000 1.003 1226 T CA -0.457 61.703 62.100 0.100 0.000 0.917 1226 T CB -0.245 68.693 68.868 0.117 0.000 1.084 1226 T HN 0.389 nan 8.240 nan 0.000 0.522 1227 Y N 2.116 122.422 120.300 0.011 0.000 2.329 1227 Y HA 0.567 5.106 4.550 -0.018 0.000 0.328 1227 Y C -1.351 174.483 175.900 -0.111 0.000 0.992 1227 Y CA -1.427 56.663 58.100 -0.017 0.000 1.151 1227 Y CB 1.285 39.775 38.460 0.051 0.000 1.150 1227 Y HN -0.206 nan 8.280 nan 0.000 0.450 1228 K N 8.593 128.667 120.400 -0.544 0.000 2.354 1228 K HA 0.319 4.628 4.320 -0.019 0.000 0.257 1228 K C -0.264 176.008 176.600 -0.547 0.000 1.062 1228 K CA -0.401 55.636 56.287 -0.417 0.000 0.971 1228 K CB 0.456 32.797 32.500 -0.265 0.000 1.305 1228 K HN 0.848 nan 8.250 nan 0.000 0.449 1229 I N -0.582 119.673 120.570 -0.526 0.000 2.886 1229 I HA 0.400 4.559 4.170 -0.019 0.000 0.299 1229 I C -2.034 173.907 176.117 -0.293 0.000 1.044 1229 I CA -2.357 58.684 61.300 -0.431 0.000 1.310 1229 I CB 0.200 37.929 38.000 -0.452 0.000 1.441 1229 I HN 0.180 nan 8.210 nan 0.000 0.578 1230 P HA 0.125 nan 4.420 nan 0.000 0.264 1230 P C -0.746 176.464 177.300 -0.150 0.000 1.183 1230 P CA 0.123 63.117 63.100 -0.176 0.000 0.763 1230 P CB 0.601 32.205 31.700 -0.160 0.000 0.807 1231 A N 2.342 125.100 122.820 -0.104 0.000 2.282 1231 A HA 0.474 4.783 4.320 -0.019 0.000 0.324 1231 A C 0.808 178.388 177.584 -0.006 0.000 1.119 1231 A CA -0.525 51.492 52.037 -0.034 0.000 0.880 1231 A CB -0.071 18.934 19.000 0.009 0.000 1.294 1231 A HN 0.431 nan 8.150 nan 0.000 0.493 1232 F N 0.493 120.430 119.950 -0.022 0.000 2.115 1232 F HA -0.161 4.354 4.527 -0.019 0.000 0.300 1232 F C 2.466 178.259 175.800 -0.013 0.000 1.092 1232 F CA 2.614 60.613 58.000 -0.002 0.000 1.245 1232 F CB -0.257 38.745 39.000 0.003 0.000 0.995 1232 F HN 0.624 nan 8.300 nan 0.000 0.481 1233 G N -2.135 106.759 108.800 0.158 0.000 2.920 1233 G HA2 -0.027 3.921 3.960 -0.019 0.000 0.208 1233 G HA3 -0.027 3.921 3.960 -0.019 0.000 0.208 1233 G C 1.442 176.334 174.900 -0.012 0.000 1.159 1233 G CA 0.604 45.740 45.100 0.061 0.000 0.784 1233 G HN 0.312 nan 8.290 nan 0.000 0.535 1234 S N 0.063 115.743 115.700 -0.033 0.000 2.478 1234 S HA 0.160 4.619 4.470 -0.019 0.000 0.222 1234 S C 1.205 175.749 174.600 -0.093 0.000 1.008 1234 S CA -0.329 57.819 58.200 -0.087 0.000 0.928 1234 S CB -0.063 63.076 63.200 -0.102 0.000 0.781 1234 S HN 0.613 nan 8.310 nan 0.000 0.518 1235 I N 0.376 120.903 120.570 -0.071 0.000 2.823 1235 I HA 0.365 4.523 4.170 -0.019 0.000 0.290 1235 I C -2.908 173.131 176.117 -0.131 0.000 1.091 1235 I CA -2.493 58.736 61.300 -0.119 0.000 1.365 1235 I CB -0.159 37.808 38.000 -0.055 0.000 1.427 1235 I HN -0.203 nan 8.210 nan 0.000 0.583 1236 P HA 0.054 nan 4.420 nan 0.000 0.265 1236 P C 0.407 177.679 177.300 -0.047 0.000 1.193 1236 P CA 0.075 63.080 63.100 -0.159 0.000 0.765 1236 P CB 0.632 32.174 31.700 -0.263 0.000 0.823 1237 T N 1.272 115.815 114.554 -0.019 0.000 2.720 1237 T HA -0.145 4.193 4.350 -0.019 0.000 0.268 1237 T C 0.384 175.112 174.700 0.046 0.000 1.037 1237 T CA 1.466 63.574 62.100 0.014 0.000 1.144 1237 T CB -0.252 68.614 68.868 -0.003 0.000 0.864 1237 T HN 0.517 nan 8.240 nan 0.000 0.444 1238 E N 0.264 120.488 120.200 0.041 0.000 2.113 1238 E HA 0.441 4.779 4.350 -0.019 0.000 0.273 1238 E C -1.457 175.222 176.600 0.131 0.000 0.924 1238 E CA -0.313 56.127 56.400 0.067 0.000 0.764 1238 E CB 1.314 31.031 29.700 0.028 0.000 1.104 1238 E HN 0.351 nan 8.360 nan 0.000 0.406 1239 F N 4.331 124.250 119.950 -0.052 0.000 2.610 1239 F HA 0.406 4.922 4.527 -0.018 0.000 0.355 1239 F C -0.688 175.055 175.800 -0.095 0.000 1.140 1239 F CA -0.913 57.035 58.000 -0.087 0.000 1.037 1239 F CB 0.655 39.619 39.000 -0.060 0.000 1.287 1239 F HN 0.273 nan 8.300 nan 0.000 0.457 1240 R N 5.233 125.780 120.500 0.079 0.000 2.437 1240 R HA 0.660 4.988 4.340 -0.019 0.000 0.310 1240 R C -1.484 174.735 176.300 -0.136 0.000 0.955 1240 R CA -0.979 55.076 56.100 -0.075 0.000 0.851 1240 R CB 2.726 33.004 30.300 -0.037 0.000 1.161 1240 R HN 0.302 nan 8.270 nan 0.000 0.446 1241 V N 1.992 121.788 119.914 -0.197 0.000 2.588 1241 V HA 0.398 4.507 4.120 -0.019 0.000 0.304 1241 V C -0.453 175.576 176.094 -0.108 0.000 1.042 1241 V CA -0.645 61.554 62.300 -0.168 0.000 0.877 1241 V CB 2.126 33.810 31.823 -0.231 0.000 0.996 1241 V HN 0.779 nan 8.190 nan 0.000 0.425 1242 S N 5.030 120.688 115.700 -0.071 0.000 2.513 1242 S HA 0.725 5.184 4.470 -0.019 0.000 0.299 1242 S C -0.651 173.933 174.600 -0.027 0.000 1.087 1242 S CA -0.632 57.540 58.200 -0.047 0.000 1.012 1242 S CB 1.632 64.810 63.200 -0.038 0.000 1.044 1242 S HN 0.522 nan 8.310 nan 0.000 0.485 1243 L N 2.722 123.934 121.223 -0.019 0.000 2.289 1243 L HA 0.448 4.777 4.340 -0.019 0.000 0.285 1243 L C -0.178 176.694 176.870 0.004 0.000 1.049 1243 L CA -0.935 53.904 54.840 -0.002 0.000 0.804 1243 L CB 0.702 42.760 42.059 -0.002 0.000 1.195 1243 L HN 0.485 nan 8.230 nan 0.000 0.428 1244 L N 4.168 125.401 121.223 0.016 0.000 2.490 1244 L HA 0.093 4.422 4.340 -0.019 0.000 0.274 1244 L C 0.387 177.264 176.870 0.012 0.000 1.201 1244 L CA 0.683 55.533 54.840 0.017 0.000 0.869 1244 L CB 0.163 42.241 42.059 0.031 0.000 1.123 1244 L HN 0.508 nan 8.230 nan 0.000 0.484 1245 R N 3.527 124.031 120.500 0.007 0.000 2.532 1245 R HA 0.254 4.583 4.340 -0.019 0.000 0.272 1245 R C -0.434 175.870 176.300 0.006 0.000 1.032 1245 R CA -0.626 55.476 56.100 0.004 0.000 1.089 1245 R CB 0.529 30.829 30.300 0.001 0.000 1.098 1245 R HN 0.741 nan 8.270 nan 0.000 0.526 1246 D N 0.624 121.026 120.400 0.004 0.000 2.737 1246 D HA -0.140 4.488 4.640 -0.019 0.000 0.238 1246 D C -0.375 175.929 176.300 0.006 0.000 1.157 1246 D CA 0.966 54.968 54.000 0.004 0.000 0.694 1246 D CB -1.129 39.673 40.800 0.004 0.000 1.021 1246 D HN 0.711 nan 8.370 nan 0.000 0.420 1247 C N -1.510 117.794 119.300 0.007 0.000 3.370 1247 C HA 0.375 4.824 4.460 -0.019 0.000 0.190 1247 C C -2.219 172.771 174.990 -0.000 0.000 1.647 1247 C CA -1.770 57.254 59.018 0.010 0.000 1.277 1247 C CB 0.362 28.116 27.740 0.024 0.000 2.037 1247 C HN 0.097 nan 8.230 nan 0.000 0.537 1248 P HA 0.093 nan 4.420 nan 0.000 0.266 1248 P C -0.502 176.768 177.300 -0.050 0.000 1.195 1248 P CA 0.709 63.794 63.100 -0.025 0.000 0.768 1248 P CB 0.739 32.428 31.700 -0.019 0.000 0.838 1249 N N 2.218 120.862 118.700 -0.094 0.000 2.485 1249 N HA 0.060 4.788 4.740 -0.019 0.000 0.243 1249 N C 0.917 176.319 175.510 -0.181 0.000 0.987 1249 N CA -0.322 52.622 53.050 -0.176 0.000 0.940 1249 N CB 0.473 38.769 38.487 -0.317 0.000 1.122 1249 N HN 0.271 nan 8.380 nan 0.000 0.509 1250 K N 2.391 122.708 120.400 -0.138 0.000 2.360 1250 K HA -0.031 4.278 4.320 -0.019 0.000 0.201 1250 K C 0.537 177.059 176.600 -0.129 0.000 1.046 1250 K CA 0.945 57.167 56.287 -0.108 0.000 0.945 1250 K CB 0.258 32.717 32.500 -0.069 0.000 0.750 1250 K HN 0.397 nan 8.250 nan 0.000 0.464 1251 K N -0.223 120.048 120.400 -0.215 0.000 2.426 1251 K HA 0.107 4.416 4.320 -0.019 0.000 0.193 1251 K C 0.226 176.798 176.600 -0.046 0.000 1.028 1251 K CA 0.249 56.424 56.287 -0.187 0.000 1.047 1251 K CB 0.929 33.163 32.500 -0.443 0.000 0.821 1251 K HN 0.146 nan 8.250 nan 0.000 0.513 1252 A N 0.779 123.496 122.820 -0.171 0.000 2.564 1252 A HA 0.455 4.764 4.320 -0.019 0.000 0.288 1252 A C -0.893 176.571 177.584 -0.199 0.000 1.164 1252 A CA -0.867 51.092 52.037 -0.131 0.000 0.712 1252 A CB 0.804 19.750 19.000 -0.089 0.000 1.303 1252 A HN 0.106 nan 8.150 nan 0.000 0.418 1253 I N 0.922 121.343 120.570 -0.249 0.000 2.919 1253 I HA 0.058 4.216 4.170 -0.019 0.000 0.299 1253 I C 0.122 176.113 176.117 -0.211 0.000 1.221 1253 I CA 1.335 62.415 61.300 -0.366 0.000 1.424 1253 I CB -1.213 36.572 38.000 -0.358 0.000 1.358 1253 I HN 0.613 nan 8.210 nan 0.000 0.551 1254 Y N 5.779 125.974 120.300 -0.176 0.000 3.617 1254 Y HA -0.291 4.248 4.550 -0.019 0.000 0.215 1254 Y C 1.426 177.266 175.900 -0.099 0.000 1.178 1254 Y CA 0.542 58.570 58.100 -0.121 0.000 1.517 1254 Y CB -1.739 36.671 38.460 -0.084 0.000 1.457 1254 Y HN 1.027 nan 8.280 nan 0.000 0.615 1255 A N -1.481 121.333 122.820 -0.010 0.000 3.021 1255 A HA -0.256 4.053 4.320 -0.019 0.000 0.257 1255 A C 0.997 178.545 177.584 -0.059 0.000 1.277 1255 A CA 0.977 52.986 52.037 -0.047 0.000 1.012 1255 A CB -2.017 16.975 19.000 -0.014 0.000 1.147 1255 A HN 1.290 nan 8.150 nan 0.000 0.861 1256 S N -0.771 114.902 115.700 -0.046 0.000 2.655 1256 S HA 0.731 5.190 4.470 -0.019 0.000 0.265 1256 S C -0.071 174.487 174.600 -0.070 0.000 1.240 1256 S CA 0.033 58.215 58.200 -0.031 0.000 0.986 1256 S CB 1.311 64.514 63.200 0.006 0.000 0.985 1256 S HN 0.563 nan 8.310 nan 0.000 0.562 1257 K N -0.191 120.211 120.400 0.002 0.000 2.435 1257 K HA 0.644 4.953 4.320 -0.019 0.000 0.251 1257 K C -0.582 176.111 176.600 0.154 0.000 0.954 1257 K CA -0.888 55.461 56.287 0.103 0.000 0.820 1257 K CB 2.115 34.698 32.500 0.140 0.000 1.292 1257 K HN 0.844 nan 8.250 nan 0.000 0.436 1258 A N 1.036 124.001 122.820 0.242 0.000 2.565 1258 A HA 0.065 4.374 4.320 -0.019 0.000 0.237 1258 A C 0.636 178.259 177.584 0.065 0.000 1.053 1258 A CA 0.145 52.248 52.037 0.109 0.000 0.755 1258 A CB 0.318 19.347 19.000 0.050 0.000 0.980 1258 A HN 0.551 nan 8.150 nan 0.000 0.506 1259 V N 2.640 122.569 119.914 0.025 0.000 3.426 1259 V HA 0.230 4.339 4.120 -0.019 0.000 0.279 1259 V C 1.732 177.813 176.094 -0.021 0.000 1.544 1259 V CA 1.441 63.748 62.300 0.011 0.000 1.017 1259 V CB -0.219 31.621 31.823 0.029 0.000 0.821 1259 V HN 1.129 nan 8.190 nan 0.000 0.432 1260 G N 0.455 109.236 108.800 -0.032 0.000 2.514 1260 G HA2 -0.245 3.704 3.960 -0.019 0.000 0.217 1260 G HA3 -0.245 3.704 3.960 -0.019 0.000 0.217 1260 G C 1.217 176.081 174.900 -0.061 0.000 1.198 1260 G CA 1.556 46.643 45.100 -0.022 0.000 0.780 1260 G HN 0.605 nan 8.290 nan 0.000 0.565 1261 E N 0.287 120.358 120.200 -0.214 0.000 2.201 1261 E HA 0.031 4.369 4.350 -0.019 0.000 0.193 1261 E C -0.247 175.977 176.600 -0.627 0.000 0.957 1261 E CA -0.036 56.118 56.400 -0.409 0.000 0.858 1261 E CB 0.019 29.332 29.700 -0.646 0.000 0.816 1261 E HN 0.279 nan 8.360 nan 0.000 0.475 1262 P HA -0.164 nan 4.420 nan 0.000 0.218 1262 P C -1.703 175.546 177.300 -0.085 0.000 1.152 1262 P CA 1.826 64.672 63.100 -0.423 0.000 0.857 1262 P CB -0.849 30.780 31.700 -0.119 0.000 0.787 1263 P HA 0.000 nan 4.420 nan 0.000 0.236 1263 P C 1.531 178.929 177.300 0.164 0.000 1.177 1263 P CA 0.487 63.657 63.100 0.116 0.000 0.773 1263 P CB -0.418 31.358 31.700 0.127 0.000 0.878 1264 L N -1.270 120.008 121.223 0.091 0.000 2.046 1264 L HA -0.133 4.196 4.340 -0.019 0.000 0.208 1264 L C 2.166 179.143 176.870 0.179 0.000 1.077 1264 L CA 1.521 56.420 54.840 0.098 0.000 0.747 1264 L CB -0.704 41.378 42.059 0.037 0.000 0.896 1264 L HN -0.120 nan 8.230 nan 0.000 0.432 1265 F N 0.251 120.279 119.950 0.131 0.000 2.307 1265 F HA -0.199 4.317 4.527 -0.018 0.000 0.301 1265 F C 1.870 177.814 175.800 0.241 0.000 1.076 1265 F CA 1.310 59.456 58.000 0.244 0.000 1.383 1265 F CB -0.271 38.855 39.000 0.211 0.000 1.055 1265 F HN 0.019 nan 8.300 nan 0.000 0.526 1266 L N -0.233 121.045 121.223 0.092 0.000 2.353 1266 L HA -0.138 4.190 4.340 -0.019 0.000 0.220 1266 L C 2.667 179.597 176.870 0.099 0.000 1.133 1266 L CA 0.912 55.813 54.840 0.101 0.000 0.798 1266 L CB -1.510 40.738 42.059 0.314 0.000 0.922 1266 L HN 0.329 nan 8.230 nan 0.000 0.445 1267 G N -0.057 108.664 108.800 -0.133 0.000 2.479 1267 G HA2 -0.239 3.710 3.960 -0.019 0.000 0.220 1267 G HA3 -0.239 3.710 3.960 -0.019 0.000 0.220 1267 G C 1.725 176.499 174.900 -0.211 0.000 1.115 1267 G CA 0.720 45.505 45.100 -0.524 0.000 0.757 1267 G HN 0.481 nan 8.290 nan 0.000 0.560 1268 A N 1.309 123.885 122.820 -0.406 0.000 2.125 1268 A HA 0.020 4.329 4.320 -0.019 0.000 0.219 1268 A C 2.660 180.158 177.584 -0.142 0.000 1.156 1268 A CA 2.065 53.674 52.037 -0.713 0.000 0.671 1268 A CB -0.544 17.669 19.000 -1.313 0.000 0.794 1268 A HN 0.681 nan 8.150 nan 0.000 0.459 1269 S N -0.155 115.517 115.700 -0.048 0.000 2.383 1269 S HA -0.158 4.300 4.470 -0.019 0.000 0.229 1269 S C 1.697 176.365 174.600 0.114 0.000 1.030 1269 S CA 1.493 59.758 58.200 0.108 0.000 1.002 1269 S CB -1.003 62.284 63.200 0.146 0.000 0.829 1269 S HN 0.292 nan 8.310 nan 0.000 0.467 1270 V N 1.173 121.128 119.914 0.068 0.000 2.343 1270 V HA -0.101 4.007 4.120 -0.019 0.000 0.247 1270 V C 2.102 178.171 176.094 -0.041 0.000 1.051 1270 V CA 2.037 64.352 62.300 0.024 0.000 1.036 1270 V CB -1.121 30.703 31.823 0.002 0.000 0.654 1270 V HN 0.545 nan 8.190 nan 0.000 0.451 1271 F N 0.547 120.364 119.950 -0.221 0.000 2.095 1271 F HA -0.215 4.303 4.527 -0.015 0.000 0.298 1271 F C 2.039 177.605 175.800 -0.390 0.000 1.104 1271 F CA 1.913 59.699 58.000 -0.357 0.000 1.232 1271 F CB -0.319 38.351 39.000 -0.551 0.000 0.987 1271 F HN 0.126 nan 8.300 nan 0.000 0.475 1272 F N 0.052 120.094 119.950 0.153 0.000 2.407 1272 F HA 0.026 4.540 4.527 -0.022 0.000 0.299 1272 F C 2.435 178.215 175.800 -0.033 0.000 1.097 1272 F CA 0.685 58.724 58.000 0.065 0.000 1.422 1272 F CB -0.959 38.087 39.000 0.076 0.000 1.067 1272 F HN 0.068 nan 8.300 nan 0.000 0.539 1273 A N 0.514 123.383 122.820 0.082 0.000 1.898 1273 A HA -0.131 4.178 4.320 -0.019 0.000 0.216 1273 A C 2.204 179.745 177.584 -0.071 0.000 1.181 1273 A CA 1.395 53.441 52.037 0.015 0.000 0.620 1273 A CB -0.941 18.063 19.000 0.007 0.000 0.819 1273 A HN 0.377 nan 8.150 nan 0.000 0.442 1274 I N -0.667 119.790 120.570 -0.188 0.000 2.226 1274 I HA -0.264 3.895 4.170 -0.019 0.000 0.245 1274 I C 2.565 178.558 176.117 -0.207 0.000 1.100 1274 I CA 1.799 62.938 61.300 -0.268 0.000 1.374 1274 I CB -0.215 37.509 38.000 -0.459 0.000 1.057 1274 I HN 0.356 nan 8.210 nan 0.000 0.413 1275 K N 0.724 120.964 120.400 -0.266 0.000 2.057 1275 K HA -0.275 4.034 4.320 -0.019 0.000 0.207 1275 K C 1.800 178.441 176.600 0.068 0.000 1.049 1275 K CA 2.094 58.317 56.287 -0.107 0.000 0.931 1275 K CB -0.120 32.285 32.500 -0.157 0.000 0.714 1275 K HN 0.173 nan 8.250 nan 0.000 0.440 1276 D N -0.009 120.422 120.400 0.052 0.000 2.104 1276 D HA -0.159 4.470 4.640 -0.019 0.000 0.194 1276 D C 1.655 177.989 176.300 0.057 0.000 0.994 1276 D CA 1.657 55.700 54.000 0.073 0.000 0.830 1276 D CB -0.086 40.750 40.800 0.060 0.000 0.959 1276 D HN 0.315 nan 8.370 nan 0.000 0.452 1277 A N 0.019 122.851 122.820 0.019 0.000 1.902 1277 A HA -0.123 4.185 4.320 -0.019 0.000 0.217 1277 A C 2.471 180.071 177.584 0.027 0.000 1.181 1277 A CA 1.308 53.354 52.037 0.016 0.000 0.623 1277 A CB -0.814 18.178 19.000 -0.013 0.000 0.818 1277 A HN 0.388 nan 8.150 nan 0.000 0.443 1278 I N -0.855 119.736 120.570 0.035 0.000 2.226 1278 I HA -0.278 3.881 4.170 -0.019 0.000 0.245 1278 I C 2.740 178.861 176.117 0.007 0.000 1.100 1278 I CA 1.291 62.603 61.300 0.020 0.000 1.374 1278 I CB -0.339 37.700 38.000 0.065 0.000 1.057 1278 I HN 0.290 nan 8.210 nan 0.000 0.413 1279 R N 0.715 121.293 120.500 0.130 0.000 2.091 1279 R HA -0.173 4.155 4.340 -0.019 0.000 0.238 1279 R C 2.445 178.770 176.300 0.041 0.000 1.136 1279 R CA 1.570 57.752 56.100 0.137 0.000 0.959 1279 R CB -0.517 29.907 30.300 0.206 0.000 0.856 1279 R HN 0.391 nan 8.270 nan 0.000 0.437 1280 A N 1.199 124.036 122.820 0.029 0.000 1.902 1280 A HA -0.097 4.212 4.320 -0.019 0.000 0.217 1280 A C 2.373 179.928 177.584 -0.049 0.000 1.181 1280 A CA 1.634 53.668 52.037 -0.004 0.000 0.623 1280 A CB -0.545 18.464 19.000 0.015 0.000 0.818 1280 A HN 0.399 nan 8.150 nan 0.000 0.443 1281 A N -0.138 122.659 122.820 -0.038 0.000 1.902 1281 A HA -0.151 4.158 4.320 -0.019 0.000 0.217 1281 A C 2.237 179.774 177.584 -0.079 0.000 1.181 1281 A CA 1.503 53.507 52.037 -0.054 0.000 0.623 1281 A CB -0.430 18.573 19.000 0.005 0.000 0.818 1281 A HN 0.557 nan 8.150 nan 0.000 0.443 1282 R N -0.512 119.935 120.500 -0.089 0.000 2.092 1282 R HA -0.009 4.319 4.340 -0.019 0.000 0.231 1282 R C 2.431 178.689 176.300 -0.071 0.000 1.119 1282 R CA 1.046 57.089 56.100 -0.095 0.000 0.970 1282 R CB -0.442 29.754 30.300 -0.172 0.000 0.864 1282 R HN 0.497 nan 8.270 nan 0.000 0.440 1283 A N 0.952 123.731 122.820 -0.067 0.000 1.933 1283 A HA -0.258 4.050 4.320 -0.019 0.000 0.218 1283 A C 2.115 179.618 177.584 -0.134 0.000 1.175 1283 A CA 1.538 53.533 52.037 -0.070 0.000 0.628 1283 A CB -0.357 18.613 19.000 -0.049 0.000 0.814 1283 A HN 0.237 nan 8.150 nan 0.000 0.444 1284 Q N -1.374 118.292 119.800 -0.223 0.000 2.049 1284 Q HA -0.132 4.197 4.340 -0.019 0.000 0.198 1284 Q C 1.576 177.279 176.000 -0.494 0.000 0.971 1284 Q CA 1.983 57.520 55.803 -0.444 0.000 0.833 1284 Q CB -0.100 28.242 28.738 -0.660 0.000 0.896 1284 Q HN 0.747 nan 8.270 nan 0.000 0.434 1285 H N -2.140 116.852 119.070 -0.130 0.000 3.255 1285 H HA 0.312 4.865 4.556 -0.005 0.000 0.256 1285 H C 1.173 176.466 175.328 -0.058 0.000 1.049 1285 H CA 0.958 56.942 56.048 -0.108 0.000 1.202 1285 H CB 0.734 30.428 29.762 -0.113 0.000 1.497 1285 H HN 0.220 nan 8.280 nan 0.000 0.503 1286 T N 1.000 115.580 114.554 0.043 0.000 2.898 1286 T HA 0.043 4.382 4.350 -0.019 0.000 0.241 1286 T C 1.037 175.742 174.700 0.009 0.000 1.024 1286 T CA 0.642 62.753 62.100 0.018 0.000 1.174 1286 T CB 0.327 69.181 68.868 -0.023 0.000 0.873 1286 T HN 0.516 nan 8.240 nan 0.000 0.422 1287 N N -0.417 118.281 118.700 -0.002 0.000 3.526 1287 N HA 0.202 4.931 4.740 -0.019 0.000 0.328 1287 N C -1.029 174.480 175.510 -0.002 0.000 1.601 1287 N CA -0.761 52.291 53.050 0.003 0.000 0.834 1287 N CB 0.758 39.252 38.487 0.013 0.000 1.983 1287 N HN -0.101 nan 8.380 nan 0.000 0.579 1288 N N -0.499 118.205 118.700 0.006 0.000 2.187 1288 N HA 0.026 4.755 4.740 -0.019 0.000 0.212 1288 N C -0.780 174.741 175.510 0.017 0.000 1.152 1288 N CA -0.007 53.046 53.050 0.005 0.000 0.872 1288 N CB -0.061 38.428 38.487 0.003 0.000 1.025 1288 N HN 0.440 nan 8.380 nan 0.000 0.514 1289 N N 1.689 120.406 118.700 0.028 0.000 2.482 1289 N HA 0.066 4.795 4.740 -0.019 0.000 0.242 1289 N C 0.888 176.431 175.510 0.055 0.000 1.100 1289 N CA 0.150 53.226 53.050 0.043 0.000 0.946 1289 N CB 0.586 39.105 38.487 0.052 0.000 1.227 1289 N HN 0.019 nan 8.380 nan 0.000 0.508 1290 T N 1.930 116.514 114.554 0.050 0.000 2.833 1290 T HA -0.103 4.236 4.350 -0.019 0.000 0.269 1290 T C 1.103 175.850 174.700 0.078 0.000 1.054 1290 T CA 1.250 63.385 62.100 0.057 0.000 1.135 1290 T CB 0.148 69.045 68.868 0.047 0.000 0.869 1290 T HN 0.466 nan 8.240 nan 0.000 0.466 1291 K N 1.077 121.526 120.400 0.082 0.000 2.397 1291 K HA 0.186 4.495 4.320 -0.019 0.000 0.202 1291 K C 0.524 177.193 176.600 0.115 0.000 1.022 1291 K CA -0.196 56.148 56.287 0.096 0.000 1.141 1291 K CB 0.400 32.955 32.500 0.091 0.000 0.857 1291 K HN 0.498 nan 8.250 nan 0.000 0.514 1292 E N 1.935 122.209 120.200 0.124 0.000 2.465 1292 E HA -0.030 4.309 4.350 -0.019 0.000 0.260 1292 E C -0.889 175.830 176.600 0.198 0.000 0.980 1292 E CA 0.096 56.589 56.400 0.155 0.000 0.927 1292 E CB 0.481 30.277 29.700 0.159 0.000 0.934 1292 E HN 0.137 nan 8.360 nan 0.000 0.459 1293 L N 6.489 127.821 121.223 0.182 0.000 2.287 1293 L HA 0.424 4.753 4.340 -0.019 0.000 0.287 1293 L C -0.317 176.687 176.870 0.223 0.000 1.022 1293 L CA -0.965 53.967 54.840 0.154 0.000 0.814 1293 L CB 0.386 42.520 42.059 0.124 0.000 1.217 1293 L HN 0.481 nan 8.230 nan 0.000 0.420 1294 F N 0.736 120.750 119.950 0.108 0.000 2.522 1294 F HA 0.680 5.193 4.527 -0.022 0.000 0.324 1294 F C -0.130 175.752 175.800 0.136 0.000 1.077 1294 F CA -1.288 56.776 58.000 0.107 0.000 0.944 1294 F CB 1.173 40.224 39.000 0.084 0.000 1.175 1294 F HN 0.344 nan 8.300 nan 0.000 0.468 1295 R N 3.017 123.642 120.500 0.209 0.000 2.298 1295 R HA 0.561 4.889 4.340 -0.019 0.000 0.310 1295 R C -1.777 174.654 176.300 0.219 0.000 1.068 1295 R CA -0.642 55.553 56.100 0.157 0.000 0.957 1295 R CB 0.901 31.323 30.300 0.203 0.000 1.003 1295 R HN 0.869 nan 8.270 nan 0.000 0.454 1296 L N 5.227 126.544 121.223 0.158 0.000 2.388 1296 L HA 0.377 4.706 4.340 -0.019 0.000 0.267 1296 L C -1.221 175.915 176.870 0.443 0.000 0.995 1296 L CA -0.456 54.547 54.840 0.272 0.000 0.864 1296 L CB 1.342 43.491 42.059 0.150 0.000 1.216 1296 L HN 0.672 nan 8.230 nan 0.000 0.430 1297 D N 1.471 122.116 120.400 0.408 0.000 2.377 1297 D HA 0.254 4.883 4.640 -0.019 0.000 0.245 1297 D C -0.337 176.249 176.300 0.478 0.000 1.196 1297 D CA 0.059 54.330 54.000 0.452 0.000 0.962 1297 D CB 1.523 42.566 40.800 0.405 0.000 1.127 1297 D HN 0.438 nan 8.370 nan 0.000 0.471 1298 S N 0.153 116.018 115.700 0.276 0.000 2.509 1298 S HA 0.527 4.986 4.470 -0.019 0.000 0.297 1298 S C -2.666 171.967 174.600 0.056 0.000 1.118 1298 S CA -1.524 56.706 58.200 0.050 0.000 1.074 1298 S CB 1.211 64.047 63.200 -0.606 0.000 1.038 1298 S HN 0.151 nan 8.310 nan 0.000 0.498 1299 P HA 0.250 nan 4.420 nan 0.000 0.279 1299 P C -1.152 176.255 177.300 0.179 0.000 1.239 1299 P CA -0.486 62.666 63.100 0.087 0.000 0.789 1299 P CB 0.835 32.538 31.700 0.004 0.000 0.933 1300 A N 2.807 125.769 122.820 0.237 0.000 3.037 1300 A HA 0.321 4.630 4.320 -0.019 0.000 0.272 1300 A C 0.993 178.585 177.584 0.013 0.000 1.723 1300 A CA -0.152 51.935 52.037 0.083 0.000 1.413 1300 A CB -1.474 17.415 19.000 -0.185 0.000 1.112 1300 A HN 0.605 nan 8.150 nan 0.000 0.606 1301 T N -0.879 113.699 114.554 0.040 0.000 2.788 1301 T HA 0.329 4.668 4.350 -0.019 0.000 0.287 1301 T C -1.630 173.083 174.700 0.021 0.000 1.007 1301 T CA -1.327 60.787 62.100 0.023 0.000 1.005 1301 T CB 0.445 69.324 68.868 0.018 0.000 1.012 1301 T HN 0.167 nan 8.240 nan 0.000 0.530 1302 P HA -0.166 nan 4.420 nan 0.000 0.217 1302 P C 1.535 178.844 177.300 0.015 0.000 1.151 1302 P CA 1.341 64.454 63.100 0.023 0.000 0.849 1302 P CB 0.029 31.736 31.700 0.011 0.000 0.787 1303 E N 0.349 120.555 120.200 0.011 0.000 2.049 1303 E HA -0.258 4.081 4.350 -0.019 0.000 0.198 1303 E C 1.749 178.369 176.600 0.033 0.000 1.007 1303 E CA 1.546 57.955 56.400 0.015 0.000 0.809 1303 E CB -0.215 29.491 29.700 0.010 0.000 0.749 1303 E HN 0.174 nan 8.360 nan 0.000 0.450 1304 K N 0.051 120.478 120.400 0.046 0.000 2.097 1304 K HA -0.081 4.228 4.320 -0.019 0.000 0.205 1304 K C 2.324 178.955 176.600 0.052 0.000 1.050 1304 K CA 1.210 57.539 56.287 0.069 0.000 0.938 1304 K CB -0.100 32.459 32.500 0.099 0.000 0.718 1304 K HN 0.280 nan 8.250 nan 0.000 0.442 1305 I N 0.709 121.291 120.570 0.020 0.000 2.142 1305 I HA -0.268 3.890 4.170 -0.019 0.000 0.240 1305 I C 2.627 178.754 176.117 0.015 0.000 1.078 1305 I CA 1.031 62.331 61.300 -0.001 0.000 1.343 1305 I CB -0.212 37.773 38.000 -0.025 0.000 1.046 1305 I HN 0.063 nan 8.210 nan 0.000 0.405 1306 R N 1.761 122.274 120.500 0.023 0.000 2.083 1306 R HA -0.165 4.164 4.340 -0.019 0.000 0.237 1306 R C 1.919 178.240 176.300 0.034 0.000 1.137 1306 R CA 1.831 57.949 56.100 0.030 0.000 0.951 1306 R CB -0.640 29.672 30.300 0.019 0.000 0.851 1306 R HN 0.291 nan 8.270 nan 0.000 0.434 1307 N N 0.189 118.910 118.700 0.034 0.000 2.289 1307 N HA -0.105 4.624 4.740 -0.019 0.000 0.184 1307 N C 1.275 176.798 175.510 0.021 0.000 1.016 1307 N CA 1.501 54.574 53.050 0.038 0.000 0.872 1307 N CB -0.326 38.190 38.487 0.048 0.000 0.973 1307 N HN 0.405 nan 8.380 nan 0.000 0.433 1308 A N -0.314 122.508 122.820 0.002 0.000 2.067 1308 A HA 0.016 4.325 4.320 -0.019 0.000 0.217 1308 A C 1.110 178.603 177.584 -0.152 0.000 1.156 1308 A CA 0.239 52.224 52.037 -0.088 0.000 0.683 1308 A CB -0.223 18.738 19.000 -0.064 0.000 0.808 1308 A HN 0.338 nan 8.150 nan 0.000 0.455 1309 C N 1.880 121.152 119.300 -0.047 0.000 3.025 1309 C HA 0.385 4.834 4.460 -0.019 0.000 0.547 1309 C C 0.646 175.669 174.990 0.054 0.000 1.058 1309 C CA -1.069 57.950 59.018 0.003 0.000 1.164 1309 C CB -2.260 25.527 27.740 0.078 0.000 1.405 1309 C HN 0.298 nan 8.230 nan 0.000 0.610 1310 V N 4.410 124.326 119.914 0.002 0.000 2.540 1310 V HA 0.217 4.325 4.120 -0.019 0.000 0.297 1310 V C 0.321 176.464 176.094 0.080 0.000 1.024 1310 V CA 1.026 63.346 62.300 0.033 0.000 1.105 1310 V CB 0.170 31.990 31.823 -0.005 0.000 0.938 1310 V HN 0.890 nan 8.190 nan 0.000 0.482 1311 D N 3.210 123.668 120.400 0.097 0.000 2.946 1311 D HA 0.199 4.828 4.640 -0.019 0.000 0.337 1311 D C 0.626 176.928 176.300 0.003 0.000 1.332 1311 D CA -0.465 53.590 54.000 0.091 0.000 0.935 1311 D CB 0.706 41.631 40.800 0.207 0.000 1.440 1311 D HN 0.329 nan 8.370 nan 0.000 0.540 1312 K N -0.490 119.831 120.400 -0.132 0.000 2.362 1312 K HA 0.008 4.316 4.320 -0.019 0.000 0.200 1312 K C 1.100 177.442 176.600 -0.430 0.000 1.046 1312 K CA 1.022 57.116 56.287 -0.321 0.000 0.952 1312 K CB -0.458 31.774 32.500 -0.447 0.000 0.753 1312 K HN 0.273 nan 8.250 nan 0.000 0.466 1313 F N 2.376 122.323 119.950 -0.005 0.000 2.220 1313 F HA -0.057 4.456 4.527 -0.022 0.000 0.290 1313 F C 2.924 178.718 175.800 -0.011 0.000 1.080 1313 F CA 1.271 59.256 58.000 -0.026 0.000 1.318 1313 F CB -0.785 38.180 39.000 -0.058 0.000 1.063 1313 F HN 0.129 nan 8.300 nan 0.000 0.498 1314 T N -2.362 112.296 114.554 0.174 0.000 2.788 1314 T HA -0.187 4.152 4.350 -0.019 0.000 0.268 1314 T C 1.828 176.560 174.700 0.054 0.000 1.044 1314 T CA 1.790 63.951 62.100 0.100 0.000 1.139 1314 T CB -1.174 67.745 68.868 0.084 0.000 0.867 1314 T HN 0.364 nan 8.240 nan 0.000 0.454 1315 T N -0.186 114.385 114.554 0.028 0.000 3.081 1315 T HA 0.321 4.659 4.350 -0.019 0.000 0.255 1315 T C 1.360 176.056 174.700 -0.007 0.000 1.113 1315 T CA 0.368 62.471 62.100 0.006 0.000 1.082 1315 T CB -0.695 68.167 68.868 -0.009 0.000 0.939 1315 T HN 0.520 nan 8.240 nan 0.000 0.506 1316 L N -0.902 120.312 121.223 -0.014 0.000 4.496 1316 L HA -0.246 4.083 4.340 -0.019 0.000 0.419 1316 L C 1.768 178.601 176.870 -0.062 0.000 1.139 1316 L CA 0.097 54.921 54.840 -0.027 0.000 0.975 1316 L CB -2.802 39.255 42.059 -0.004 0.000 2.099 1316 L HN 0.402 nan 8.230 nan 0.000 0.818 1317 C N -0.691 118.556 119.300 -0.089 0.000 2.422 1317 C HA -0.125 4.323 4.460 -0.019 0.000 0.279 1317 C C 2.581 177.493 174.990 -0.131 0.000 1.305 1317 C CA 1.167 60.128 59.018 -0.096 0.000 1.757 1317 C CB -0.454 27.231 27.740 -0.093 0.000 1.962 1317 C HN 0.648 nan 8.230 nan 0.000 0.499 1318 V N 1.768 121.550 119.914 -0.219 0.000 2.720 1318 V HA -0.168 3.940 4.120 -0.019 0.000 0.256 1318 V C 2.558 178.585 176.094 -0.112 0.000 1.082 1318 V CA 2.575 64.732 62.300 -0.239 0.000 1.101 1318 V CB -0.574 30.969 31.823 -0.467 0.000 0.693 1318 V HN 0.823 nan 8.190 nan 0.000 0.479 1319 T N -3.187 111.322 114.554 -0.074 0.000 3.118 1319 T HA 0.259 4.598 4.350 -0.019 0.000 0.260 1319 T C 1.531 176.212 174.700 -0.032 0.000 1.139 1319 T CA 1.119 63.198 62.100 -0.036 0.000 1.085 1319 T CB 0.427 69.284 68.868 -0.019 0.000 0.934 1319 T HN 1.226 nan 8.240 nan 0.000 0.518 1320 G N 0.752 109.526 108.800 -0.042 0.000 2.201 1320 G HA2 0.035 3.984 3.960 -0.019 0.000 0.212 1320 G HA3 0.035 3.984 3.960 -0.019 0.000 0.212 1320 G C 0.314 175.198 174.900 -0.027 0.000 0.994 1320 G CA -0.164 44.917 45.100 -0.032 0.000 0.644 1320 G HN 1.107 nan 8.290 nan 0.000 0.508 1321 A N 1.444 124.248 122.820 -0.027 0.000 2.386 1321 A HA 0.690 4.999 4.320 -0.019 0.000 0.248 1321 A C -1.059 176.511 177.584 -0.023 0.000 1.082 1321 A CA -0.303 51.722 52.037 -0.020 0.000 0.789 1321 A CB 0.202 19.192 19.000 -0.016 0.000 1.025 1321 A HN 0.286 nan 8.150 nan 0.000 0.490 1322 P HA 0.555 nan 4.420 nan 0.000 0.274 1322 P C 0.131 177.423 177.300 -0.013 0.000 1.246 1322 P CA 0.190 63.281 63.100 -0.014 0.000 0.795 1322 P CB 1.337 33.032 31.700 -0.008 0.000 1.006 1323 G N 0.348 109.141 108.800 -0.012 0.000 2.441 1323 G HA2 0.140 4.089 3.960 -0.019 0.000 0.294 1323 G HA3 0.140 4.089 3.960 -0.019 0.000 0.294 1323 G C -1.029 173.869 174.900 -0.004 0.000 1.393 1323 G CA -0.651 44.444 45.100 -0.008 0.000 0.796 1323 G HN 0.437 nan 8.290 nan 0.000 0.494 1324 N N 0.651 119.352 118.700 0.002 0.000 3.052 1324 N HA 0.261 4.990 4.740 -0.019 0.000 0.302 1324 N C 0.018 175.533 175.510 0.008 0.000 1.332 1324 N CA 0.291 53.346 53.050 0.007 0.000 1.129 1324 N CB -0.138 38.356 38.487 0.013 0.000 1.436 1324 N HN 0.785 nan 8.380 nan 0.000 0.536 1325 C N -1.330 117.972 119.300 0.003 0.000 3.154 1325 C HA 0.710 5.159 4.460 -0.019 0.000 0.312 1325 C C 0.180 175.175 174.990 0.008 0.000 1.349 1325 C CA -1.240 57.784 59.018 0.010 0.000 1.518 1325 C CB 1.537 29.284 27.740 0.012 0.000 1.934 1325 C HN 0.397 nan 8.230 nan 0.000 0.462 1326 K N 0.000 120.410 120.400 0.017 0.000 2.780 1326 K HA 0.000 4.309 4.320 -0.019 0.000 0.191 1326 K CA 0.000 56.294 56.287 0.012 0.000 0.838 1326 K CB 0.000 32.505 32.500 0.009 0.000 1.064 1326 K HN 0.000 nan 8.250 nan 0.000 0.543