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 3b9j_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 APGNCKPW 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 0.000 176.267 176.300 -0.055 0.000 2.045 571 D CA 0.000 53.963 54.000 -0.061 0.000 0.868 571 D CB 0.000 40.753 40.800 -0.079 0.000 0.688 572 T N -0.495 114.030 114.554 -0.048 0.000 3.054 572 T HA 0.255 4.601 4.350 -0.006 0.000 0.255 572 T C 0.782 175.459 174.700 -0.038 0.000 1.035 572 T CA -0.075 62.004 62.100 -0.035 0.000 0.941 572 T CB 0.025 68.881 68.868 -0.021 0.000 1.026 572 T HN 0.134 nan 8.240 nan 0.000 0.533 573 V N 2.219 122.096 119.914 -0.062 0.000 2.599 573 V HA 0.443 4.560 4.120 -0.006 0.000 0.300 573 V C 1.733 177.792 176.094 -0.059 0.000 1.034 573 V CA 1.302 63.563 62.300 -0.065 0.000 1.115 573 V CB -0.049 31.684 31.823 -0.150 0.000 0.934 573 V HN 0.860 nan 8.190 nan 0.000 0.485 574 G N 4.536 113.318 108.800 -0.031 0.000 2.176 574 G HA2 -0.237 3.720 3.960 -0.006 0.000 0.253 574 G HA3 -0.237 3.720 3.960 -0.006 0.000 0.253 574 G C 0.215 175.104 174.900 -0.018 0.000 0.979 574 G CA 0.160 45.246 45.100 -0.024 0.000 0.641 574 G HN 0.647 nan 8.290 nan 0.000 0.530 575 R N 0.677 121.168 120.500 -0.016 0.000 2.532 575 R HA 0.490 4.827 4.340 -0.006 0.000 0.295 575 R C -2.361 173.937 176.300 -0.003 0.000 0.968 575 R CA -1.893 54.200 56.100 -0.011 0.000 0.916 575 R CB 1.846 32.137 30.300 -0.014 0.000 1.124 575 R HN 0.025 nan 8.270 nan 0.000 0.463 576 P HA 0.015 nan 4.420 nan 0.000 0.226 576 P C -0.693 176.614 177.300 0.013 0.000 1.783 576 P CA -0.193 62.911 63.100 0.006 0.000 0.980 576 P CB -0.025 31.677 31.700 0.003 0.000 1.967 577 L N 3.280 124.511 121.223 0.013 0.000 2.418 577 L HA 0.344 4.680 4.340 -0.006 0.000 0.274 577 L C -2.255 174.636 176.870 0.036 0.000 1.135 577 L CA -1.908 52.943 54.840 0.020 0.000 0.870 577 L CB -0.204 41.862 42.059 0.012 0.000 1.154 577 L HN 0.009 nan 8.230 nan 0.000 0.462 578 P HA -0.041 nan 4.420 nan 0.000 0.267 578 P C -0.774 176.595 177.300 0.114 0.000 1.200 578 P CA -0.017 63.131 63.100 0.080 0.000 0.772 578 P CB 0.209 31.953 31.700 0.072 0.000 0.855 579 H N 2.908 121.995 119.070 0.029 0.000 3.173 579 H HA -0.074 4.479 4.556 -0.006 0.000 0.311 579 H C 1.148 176.498 175.328 0.037 0.000 0.972 579 H CA 0.723 56.790 56.048 0.032 0.000 1.384 579 H CB 0.383 30.164 29.762 0.032 0.000 1.349 579 H HN 0.373 nan 8.280 nan 0.000 0.582 580 L N 4.386 125.664 121.223 0.092 0.000 2.079 580 L HA -0.215 4.122 4.340 -0.006 0.000 0.210 580 L C 2.422 179.421 176.870 0.215 0.000 1.081 580 L CA 1.620 56.534 54.840 0.123 0.000 0.752 580 L CB -0.410 41.676 42.059 0.045 0.000 0.896 580 L HN 0.653 nan 8.230 nan 0.000 0.433 581 A N -0.725 122.333 122.820 0.398 0.000 2.275 581 A HA 0.314 4.631 4.320 -0.006 0.000 0.212 581 A C 2.364 180.013 177.584 0.110 0.000 1.201 581 A CA 0.729 52.899 52.037 0.221 0.000 0.843 581 A CB -0.309 18.806 19.000 0.191 0.000 0.873 581 A HN 0.321 nan 8.150 nan 0.000 0.492 582 A N 0.344 123.236 122.820 0.120 0.000 1.917 582 A HA 0.046 4.362 4.320 -0.006 0.000 0.219 582 A C 2.391 179.994 177.584 0.031 0.000 1.182 582 A CA 2.046 54.093 52.037 0.016 0.000 0.633 582 A CB -0.781 18.250 19.000 0.053 0.000 0.819 582 A HN 1.049 nan 8.150 nan 0.000 0.448 583 A N -1.179 121.672 122.820 0.052 0.000 2.014 583 A HA 0.071 4.387 4.320 -0.006 0.000 0.218 583 A C 2.188 179.796 177.584 0.040 0.000 1.163 583 A CA 1.480 53.543 52.037 0.044 0.000 0.652 583 A CB -0.403 18.623 19.000 0.045 0.000 0.808 583 A HN 0.533 nan 8.150 nan 0.000 0.449 584 M N -1.228 118.398 119.600 0.043 0.000 2.334 584 M HA -0.098 4.379 4.480 -0.006 0.000 0.266 584 M C 2.283 178.610 176.300 0.045 0.000 1.082 584 M CA 0.934 56.257 55.300 0.038 0.000 1.141 584 M CB -0.295 32.325 32.600 0.035 0.000 1.380 584 M HN 0.464 nan 8.290 nan 0.000 0.440 585 Q N 0.553 120.380 119.800 0.044 0.000 2.061 585 Q HA -0.148 4.189 4.340 -0.006 0.000 0.204 585 Q C 2.254 178.297 176.000 0.071 0.000 0.984 585 Q CA 1.834 57.682 55.803 0.075 0.000 0.846 585 Q CB -0.355 28.409 28.738 0.042 0.000 0.902 585 Q HN 0.572 nan 8.270 nan 0.000 0.421 586 A N 0.990 123.840 122.820 0.049 0.000 1.940 586 A HA -0.183 4.133 4.320 -0.006 0.000 0.219 586 A C 2.148 179.758 177.584 0.044 0.000 1.176 586 A CA 1.814 53.879 52.037 0.045 0.000 0.631 586 A CB -0.451 18.572 19.000 0.038 0.000 0.814 586 A HN 0.444 nan 8.150 nan 0.000 0.446 587 S N -2.209 113.517 115.700 0.043 0.000 2.575 587 S HA 0.391 4.858 4.470 -0.006 0.000 0.215 587 S C 1.355 175.980 174.600 0.042 0.000 0.966 587 S CA 0.948 59.169 58.200 0.037 0.000 0.911 587 S CB -0.223 62.995 63.200 0.030 0.000 0.780 587 S HN 1.896 nan 8.310 nan 0.000 0.514 588 G N 1.546 110.382 108.800 0.060 0.000 2.179 588 G HA2 -0.284 3.673 3.960 -0.006 0.000 0.257 588 G HA3 -0.284 3.673 3.960 -0.006 0.000 0.257 588 G C 0.395 175.333 174.900 0.064 0.000 1.010 588 G CA 0.564 45.708 45.100 0.074 0.000 0.736 588 G HN 0.628 nan 8.290 nan 0.000 0.513 589 E N -0.260 119.969 120.200 0.048 0.000 2.415 589 E HA 0.409 4.755 4.350 -0.006 0.000 0.197 589 E C 1.632 178.238 176.600 0.010 0.000 1.007 589 E CA 0.303 56.719 56.400 0.027 0.000 0.890 589 E CB 0.359 30.070 29.700 0.018 0.000 0.891 589 E HN 0.743 nan 8.360 nan 0.000 0.496 590 A N 1.748 124.572 122.820 0.008 0.000 2.488 590 A HA 0.227 4.544 4.320 -0.006 0.000 0.249 590 A C 0.141 177.633 177.584 -0.153 0.000 1.083 590 A CA -0.153 51.828 52.037 -0.092 0.000 0.768 590 A CB 0.378 19.297 19.000 -0.136 0.000 1.017 590 A HN 0.004 nan 8.150 nan 0.000 0.496 591 V N 4.173 123.956 119.914 -0.219 0.000 2.383 591 V HA 0.337 4.454 4.120 -0.006 0.000 0.275 591 V C -0.510 175.399 176.094 -0.307 0.000 1.036 591 V CA -0.116 62.096 62.300 -0.148 0.000 0.889 591 V CB 0.157 31.926 31.823 -0.090 0.000 0.985 591 V HN 0.785 nan 8.190 nan 0.000 0.459 592 Y N 1.944 122.235 120.300 -0.016 0.000 2.596 592 Y HA 0.319 4.866 4.550 -0.005 0.000 0.326 592 Y C 1.574 177.459 175.900 -0.025 0.000 1.167 592 Y CA -0.403 57.686 58.100 -0.018 0.000 1.246 592 Y CB 0.646 39.095 38.460 -0.019 0.000 1.347 592 Y HN 0.641 nan 8.280 nan 0.000 0.515 593 C N 0.071 119.457 119.300 0.144 0.000 2.422 593 C HA -0.155 4.302 4.460 -0.006 0.000 0.279 593 C C 2.123 177.139 174.990 0.043 0.000 1.305 593 C CA 1.980 61.039 59.018 0.069 0.000 1.757 593 C CB -1.037 26.755 27.740 0.087 0.000 1.962 593 C HN 1.008 nan 8.230 nan 0.000 0.499 594 D N -0.031 120.411 120.400 0.071 0.000 2.348 594 D HA -0.010 4.627 4.640 -0.006 0.000 0.211 594 D C 1.398 177.726 176.300 0.047 0.000 0.998 594 D CA 0.753 54.789 54.000 0.060 0.000 0.873 594 D CB -0.236 40.605 40.800 0.069 0.000 0.925 594 D HN 0.516 nan 8.370 nan 0.000 0.524 595 D N -0.151 120.283 120.400 0.056 0.000 2.363 595 D HA 0.010 4.646 4.640 -0.006 0.000 0.220 595 D C 0.575 176.861 176.300 -0.023 0.000 0.994 595 D CA 0.108 54.130 54.000 0.038 0.000 0.890 595 D CB 0.213 41.064 40.800 0.085 0.000 0.906 595 D HN 0.366 nan 8.370 nan 0.000 0.530 596 I N 2.546 123.075 120.570 -0.068 0.000 2.598 596 I HA 0.017 4.184 4.170 -0.006 0.000 0.284 596 I C -1.836 174.196 176.117 -0.142 0.000 1.140 596 I CA -1.520 59.686 61.300 -0.156 0.000 1.420 596 I CB 0.261 38.092 38.000 -0.283 0.000 1.387 596 I HN -0.312 nan 8.210 nan 0.000 0.553 597 P HA 0.025 nan 4.420 nan 0.000 0.266 597 P C -0.868 176.310 177.300 -0.203 0.000 1.193 597 P CA -0.024 62.981 63.100 -0.158 0.000 0.770 597 P CB 0.427 32.015 31.700 -0.187 0.000 0.836 598 R N 1.800 122.224 120.500 -0.127 0.000 2.441 598 R HA 0.301 4.638 4.340 -0.006 0.000 0.284 598 R C -0.146 176.051 176.300 -0.171 0.000 1.070 598 R CA -0.249 55.789 56.100 -0.103 0.000 1.047 598 R CB -0.138 30.173 30.300 0.018 0.000 1.016 598 R HN 0.432 nan 8.270 nan 0.000 0.477 599 Y N 1.527 121.811 120.300 -0.027 0.000 2.607 599 Y HA -0.158 4.388 4.550 -0.006 0.000 0.348 599 Y C 1.916 177.816 175.900 0.001 0.000 1.261 599 Y CA 0.526 58.622 58.100 -0.007 0.000 1.480 599 Y CB 0.636 39.100 38.460 0.006 0.000 1.358 599 Y HN 0.720 nan 8.280 nan 0.000 0.630 600 E N 0.415 120.728 120.200 0.189 0.000 2.204 600 E HA -0.247 4.100 4.350 -0.006 0.000 0.195 600 E C 0.569 177.220 176.600 0.085 0.000 0.990 600 E CA 1.542 58.007 56.400 0.108 0.000 0.821 600 E CB -0.259 29.499 29.700 0.096 0.000 0.750 600 E HN 0.755 nan 8.360 nan 0.000 0.477 601 N N 1.024 119.784 118.700 0.100 0.000 2.230 601 N HA -0.009 4.727 4.740 -0.006 0.000 0.202 601 N C -0.241 175.238 175.510 -0.051 0.000 1.119 601 N CA -0.099 52.953 53.050 0.004 0.000 0.851 601 N CB 0.202 38.756 38.487 0.112 0.000 0.990 601 N HN 0.241 nan 8.380 nan 0.000 0.497 602 E N 1.054 121.264 120.200 0.018 0.000 2.344 602 E HA 0.260 4.607 4.350 -0.006 0.000 0.270 602 E C -0.515 175.948 176.600 -0.229 0.000 1.021 602 E CA -0.295 56.065 56.400 -0.067 0.000 0.887 602 E CB 0.643 30.311 29.700 -0.053 0.000 0.997 602 E HN 0.207 nan 8.360 nan 0.000 0.429 603 L N 3.239 124.287 121.223 -0.291 0.000 2.341 603 L HA 0.594 4.931 4.340 -0.006 0.000 0.267 603 L C -0.700 175.832 176.870 -0.563 0.000 1.022 603 L CA -1.096 53.598 54.840 -0.242 0.000 0.844 603 L CB 0.840 42.857 42.059 -0.071 0.000 1.436 603 L HN 0.512 nan 8.230 nan 0.000 0.483 604 F N 0.645 120.614 119.950 0.032 0.000 2.547 604 F HA 0.539 5.062 4.527 -0.006 0.000 0.316 604 F C -0.450 175.379 175.800 0.048 0.000 1.121 604 F CA -0.405 57.622 58.000 0.045 0.000 0.911 604 F CB 1.912 40.938 39.000 0.044 0.000 1.179 604 F HN 0.123 nan 8.300 nan 0.000 0.443 605 L N 3.702 125.043 121.223 0.197 0.000 2.309 605 L HA 0.773 5.110 4.340 -0.006 0.000 0.282 605 L C -0.781 176.192 176.870 0.173 0.000 1.036 605 L CA -0.560 54.372 54.840 0.153 0.000 0.806 605 L CB 1.253 43.379 42.059 0.112 0.000 1.220 605 L HN 0.713 nan 8.230 nan 0.000 0.429 606 R N 4.267 124.865 120.500 0.163 0.000 2.532 606 R HA 0.540 4.877 4.340 -0.006 0.000 0.297 606 R C -1.568 174.834 176.300 0.170 0.000 0.984 606 R CA -0.460 55.737 56.100 0.163 0.000 0.884 606 R CB 1.176 31.576 30.300 0.167 0.000 1.182 606 R HN 0.687 nan 8.270 nan 0.000 0.442 607 L N 3.852 125.174 121.223 0.165 0.000 2.456 607 L HA 0.287 4.624 4.340 -0.006 0.000 0.272 607 L C -0.252 176.734 176.870 0.194 0.000 1.189 607 L CA -0.473 54.475 54.840 0.180 0.000 0.846 607 L CB 1.005 43.161 42.059 0.163 0.000 1.111 607 L HN 0.335 nan 8.230 nan 0.000 0.475 608 V N 2.329 122.375 119.914 0.220 0.000 2.435 608 V HA 0.471 4.587 4.120 -0.006 0.000 0.290 608 V C 0.123 176.339 176.094 0.203 0.000 1.030 608 V CA -0.287 62.151 62.300 0.230 0.000 0.881 608 V CB 1.762 33.783 31.823 0.330 0.000 0.983 608 V HN 0.809 nan 8.190 nan 0.000 0.445 609 T N 2.596 117.263 114.554 0.187 0.000 2.909 609 T HA 0.303 4.650 4.350 -0.006 0.000 0.299 609 T C -0.215 174.610 174.700 0.208 0.000 1.073 609 T CA -0.320 61.891 62.100 0.184 0.000 0.999 609 T CB 1.830 70.798 68.868 0.166 0.000 1.098 609 T HN 0.699 nan 8.240 nan 0.000 0.477 610 S N 1.141 116.981 115.700 0.233 0.000 2.552 610 S HA 0.098 4.565 4.470 -0.006 0.000 0.289 610 S C 1.412 176.112 174.600 0.166 0.000 1.304 610 S CA 0.254 58.621 58.200 0.278 0.000 1.063 610 S CB 0.176 63.553 63.200 0.295 0.000 0.848 610 S HN 0.864 nan 8.310 nan 0.000 0.499 611 T N 2.940 117.545 114.554 0.085 0.000 3.105 611 T HA 0.348 4.695 4.350 -0.006 0.000 0.253 611 T C 0.316 174.906 174.700 -0.182 0.000 1.047 611 T CA -0.423 61.653 62.100 -0.040 0.000 0.944 611 T CB 0.011 68.872 68.868 -0.011 0.000 1.016 611 T HN 0.413 nan 8.240 nan 0.000 0.544 612 R N 0.184 120.543 120.500 -0.235 0.000 2.740 612 R HA 0.764 5.101 4.340 -0.006 0.000 0.282 612 R C 0.985 177.267 176.300 -0.030 0.000 0.969 612 R CA -0.306 55.667 56.100 -0.211 0.000 0.918 612 R CB 1.329 31.389 30.300 -0.401 0.000 1.175 612 R HN 0.128 nan 8.270 nan 0.000 0.464 613 A N 0.971 123.785 122.820 -0.009 0.000 1.930 613 A HA -0.113 4.204 4.320 -0.006 0.000 0.217 613 A C 0.170 177.817 177.584 0.106 0.000 1.175 613 A CA 1.568 53.621 52.037 0.026 0.000 0.627 613 A CB -0.170 18.830 19.000 0.000 0.000 0.815 613 A HN 0.625 nan 8.150 nan 0.000 0.443 614 H N -2.305 116.764 119.070 -0.003 0.000 3.222 614 H HA 0.592 5.145 4.556 -0.006 0.000 0.315 614 H C -0.955 174.399 175.328 0.043 0.000 1.116 614 H CA -0.398 55.665 56.048 0.026 0.000 1.511 614 H CB 0.642 30.405 29.762 0.002 0.000 2.059 614 H HN 0.501 nan 8.280 nan 0.000 0.420 615 A N 3.958 126.857 122.820 0.133 0.000 2.601 615 A HA 0.606 4.923 4.320 -0.006 0.000 0.291 615 A C -1.349 176.311 177.584 0.127 0.000 1.075 615 A CA -1.004 51.091 52.037 0.097 0.000 0.671 615 A CB 1.535 20.653 19.000 0.197 0.000 1.277 615 A HN 0.301 nan 8.150 nan 0.000 0.417 616 K N 0.957 121.412 120.400 0.093 0.000 2.143 616 K HA 0.536 4.852 4.320 -0.006 0.000 0.272 616 K C -0.583 176.070 176.600 0.087 0.000 1.001 616 K CA -0.175 56.157 56.287 0.075 0.000 0.915 616 K CB 1.088 33.606 32.500 0.030 0.000 1.047 616 K HN 0.603 nan 8.250 nan 0.000 0.458 617 I N 3.575 124.169 120.570 0.039 0.000 2.371 617 I HA 0.066 4.233 4.170 -0.006 0.000 0.290 617 I C 1.427 177.508 176.117 -0.061 0.000 1.028 617 I CA -0.175 61.088 61.300 -0.062 0.000 1.345 617 I CB 0.777 38.740 38.000 -0.061 0.000 1.407 617 I HN 0.324 nan 8.210 nan 0.000 0.501 618 K N 3.469 123.809 120.400 -0.100 0.000 2.225 618 K HA 0.202 4.519 4.320 -0.006 0.000 0.204 618 K C 0.358 176.915 176.600 -0.072 0.000 1.047 618 K CA 0.665 56.915 56.287 -0.062 0.000 0.970 618 K CB 0.327 32.799 32.500 -0.046 0.000 0.939 618 K HN 0.720 nan 8.250 nan 0.000 0.472 619 S N 0.151 115.785 115.700 -0.110 0.000 2.564 619 S HA 0.641 5.107 4.470 -0.006 0.000 0.274 619 S C -0.331 174.176 174.600 -0.154 0.000 1.124 619 S CA -0.953 57.184 58.200 -0.106 0.000 0.869 619 S CB 1.849 64.995 63.200 -0.089 0.000 1.105 619 S HN 0.049 nan 8.310 nan 0.000 0.472 620 I N 1.627 122.115 120.570 -0.137 0.000 2.460 620 I HA 0.545 4.711 4.170 -0.006 0.000 0.298 620 I C -0.974 175.023 176.117 -0.200 0.000 0.989 620 I CA -0.331 60.853 61.300 -0.193 0.000 1.173 620 I CB 1.699 39.586 38.000 -0.188 0.000 1.338 620 I HN 0.683 nan 8.210 nan 0.000 0.456 621 D N 4.730 124.984 120.400 -0.244 0.000 2.620 621 D HA 0.298 4.934 4.640 -0.006 0.000 0.252 621 D C -0.016 176.121 176.300 -0.271 0.000 1.207 621 D CA -0.516 53.357 54.000 -0.211 0.000 0.884 621 D CB 1.983 42.689 40.800 -0.156 0.000 1.262 621 D HN 0.295 nan 8.370 nan 0.000 0.552 622 V N 1.863 121.615 119.914 -0.270 0.000 3.271 622 V HA 0.185 4.302 4.120 -0.006 0.000 0.327 622 V C 1.458 177.392 176.094 -0.266 0.000 1.389 622 V CA 0.611 62.729 62.300 -0.302 0.000 1.156 622 V CB -0.415 31.230 31.823 -0.297 0.000 1.103 622 V HN 0.453 nan 8.190 nan 0.000 0.453 623 S N 0.346 115.923 115.700 -0.205 0.000 2.400 623 S HA -0.152 4.314 4.470 -0.006 0.000 0.232 623 S C 1.668 176.143 174.600 -0.208 0.000 1.025 623 S CA 1.518 59.609 58.200 -0.182 0.000 0.993 623 S CB -0.312 62.812 63.200 -0.127 0.000 0.808 623 S HN 0.668 nan 8.310 nan 0.000 0.478 624 E N 1.569 121.647 120.200 -0.204 0.000 2.127 624 E HA 0.263 4.609 4.350 -0.006 0.000 0.191 624 E C 2.486 178.953 176.600 -0.223 0.000 0.964 624 E CA 0.887 57.181 56.400 -0.177 0.000 0.832 624 E CB -0.717 28.904 29.700 -0.130 0.000 0.790 624 E HN 0.572 nan 8.360 nan 0.000 0.465 625 A N 1.669 124.326 122.820 -0.273 0.000 1.948 625 A HA -0.260 4.056 4.320 -0.006 0.000 0.220 625 A C 2.076 179.181 177.584 -0.798 0.000 1.177 625 A CA 1.627 53.458 52.037 -0.343 0.000 0.636 625 A CB -0.680 18.179 19.000 -0.235 0.000 0.815 625 A HN 0.221 nan 8.150 nan 0.000 0.449 626 Q N -0.667 118.568 119.800 -0.941 0.000 2.368 626 Q HA -0.190 4.147 4.340 -0.006 0.000 0.210 626 Q C 1.071 176.797 176.000 -0.457 0.000 0.982 626 Q CA 1.653 56.851 55.803 -1.007 0.000 0.884 626 Q CB -0.092 28.337 28.738 -0.514 0.000 0.933 626 Q HN 0.873 nan 8.270 nan 0.000 0.460 627 K N -1.268 118.954 120.400 -0.297 0.000 2.477 627 K HA 0.201 4.518 4.320 -0.006 0.000 0.208 627 K C -0.063 176.479 176.600 -0.096 0.000 1.117 627 K CA -0.245 55.955 56.287 -0.145 0.000 1.039 627 K CB 0.808 33.241 32.500 -0.112 0.000 0.937 627 K HN -0.194 nan 8.250 nan 0.000 0.570 628 V N 4.016 123.875 119.914 -0.092 0.000 3.266 628 V HA -0.160 3.956 4.120 -0.006 0.000 0.279 628 V C -2.332 173.712 176.094 -0.084 0.000 1.206 628 V CA -0.165 62.098 62.300 -0.062 0.000 1.291 628 V CB -1.219 30.605 31.823 0.002 0.000 0.753 628 V HN 0.173 nan 8.190 nan 0.000 0.385 629 P HA 0.378 nan 4.420 nan 0.000 0.281 629 P C 0.950 178.010 177.300 -0.400 0.000 1.252 629 P CA 1.054 63.997 63.100 -0.261 0.000 0.778 629 P CB 1.174 32.707 31.700 -0.278 0.000 0.895 630 G N 3.000 111.734 108.800 -0.110 0.000 2.233 630 G HA2 -0.334 3.623 3.960 -0.006 0.000 0.270 630 G HA3 -0.334 3.623 3.960 -0.006 0.000 0.270 630 G C 0.249 175.202 174.900 0.089 0.000 1.011 630 G CA -0.487 44.620 45.100 0.012 0.000 0.762 630 G HN 0.535 nan 8.290 nan 0.000 0.511 631 F N -0.794 119.148 119.950 -0.013 0.000 1.956 631 F HA -0.063 4.461 4.527 -0.006 0.000 0.458 631 F C 1.575 177.396 175.800 0.035 0.000 0.859 631 F CA 1.339 59.352 58.000 0.022 0.000 0.975 631 F CB 0.242 39.246 39.000 0.007 0.000 0.757 631 F HN 0.005 nan 8.300 nan 0.000 0.495 632 V N 3.999 123.553 119.914 -0.601 0.000 2.870 632 V HA 0.117 4.233 4.120 -0.006 0.000 0.232 632 V C 0.707 176.451 176.094 -0.584 0.000 1.161 632 V CA 1.142 63.209 62.300 -0.388 0.000 1.204 632 V CB 0.729 32.422 31.823 -0.217 0.000 1.003 632 V HN 0.991 nan 8.190 nan 0.000 0.499 633 C N -1.837 116.903 119.300 -0.934 0.000 3.275 633 C HA 0.694 5.151 4.460 -0.006 0.000 0.340 633 C C -1.399 173.471 174.990 -0.200 0.000 1.366 633 C CA -1.293 57.448 59.018 -0.463 0.000 1.227 633 C CB 0.898 28.567 27.740 -0.119 0.000 1.512 633 C HN 0.327 nan 8.230 nan 0.000 0.461 634 F N 1.801 121.787 119.950 0.059 0.000 2.444 634 F HA 0.824 5.347 4.527 -0.006 0.000 0.342 634 F C -0.719 175.054 175.800 -0.045 0.000 1.121 634 F CA -1.101 56.933 58.000 0.057 0.000 0.997 634 F CB 0.883 39.967 39.000 0.141 0.000 1.130 634 F HN 0.698 nan 8.300 nan 0.000 0.454 635 L N 5.637 126.362 121.223 -0.830 0.000 2.334 635 L HA 0.718 5.055 4.340 -0.006 0.000 0.275 635 L C -0.047 175.947 176.870 -1.461 0.000 1.036 635 L CA -0.496 53.871 54.840 -0.788 0.000 0.807 635 L CB 1.714 43.523 42.059 -0.418 0.000 1.231 635 L HN 0.799 nan 8.230 nan 0.000 0.438 636 S N 0.735 115.857 115.700 -0.962 0.000 2.819 636 S HA 0.607 5.074 4.470 -0.006 0.000 0.299 636 S C 0.619 175.052 174.600 -0.277 0.000 1.192 636 S CA -0.094 57.589 58.200 -0.862 0.000 0.847 636 S CB 1.161 64.165 63.200 -0.327 0.000 1.224 636 S HN 0.605 nan 8.310 nan 0.000 0.537 637 A N 0.708 123.521 122.820 -0.013 0.000 1.986 637 A HA -0.089 4.228 4.320 -0.006 0.000 0.220 637 A C 1.472 179.108 177.584 0.085 0.000 1.171 637 A CA 2.156 54.286 52.037 0.156 0.000 0.640 637 A CB -1.262 17.801 19.000 0.105 0.000 0.811 637 A HN 0.788 nan 8.150 nan 0.000 0.451 638 D N -0.025 120.395 120.400 0.032 0.000 2.348 638 D HA -0.047 4.589 4.640 -0.006 0.000 0.216 638 D C 0.663 176.983 176.300 0.033 0.000 0.970 638 D CA 0.708 54.725 54.000 0.029 0.000 0.889 638 D CB -0.206 40.608 40.800 0.023 0.000 0.912 638 D HN 0.427 nan 8.370 nan 0.000 0.524 639 D N 0.060 120.480 120.400 0.034 0.000 2.349 639 D HA 0.055 4.692 4.640 -0.006 0.000 0.215 639 D C 0.730 177.065 176.300 0.058 0.000 1.016 639 D CA 0.020 54.053 54.000 0.055 0.000 0.870 639 D CB 0.968 41.789 40.800 0.036 0.000 0.917 639 D HN 0.266 nan 8.370 nan 0.000 0.524 640 I N 3.496 124.088 120.570 0.036 0.000 2.379 640 I HA 0.029 4.196 4.170 -0.006 0.000 0.290 640 I C -0.854 175.203 176.117 -0.101 0.000 1.063 640 I CA -1.349 59.925 61.300 -0.043 0.000 1.351 640 I CB 1.513 39.499 38.000 -0.024 0.000 1.410 640 I HN -0.208 nan 8.210 nan 0.000 0.505 641 P HA -0.077 nan 4.420 nan 0.000 0.217 641 P C 0.981 178.198 177.300 -0.140 0.000 1.151 641 P CA 1.129 64.102 63.100 -0.212 0.000 0.828 641 P CB 0.537 31.942 31.700 -0.493 0.000 0.788 642 G N -0.727 107.978 108.800 -0.157 0.000 2.534 642 G HA2 0.188 4.144 3.960 -0.006 0.000 0.224 642 G HA3 0.188 4.144 3.960 -0.006 0.000 0.224 642 G C -0.221 174.631 174.900 -0.080 0.000 1.822 642 G CA 0.266 45.303 45.100 -0.105 0.000 0.805 642 G HN 0.377 nan 8.290 nan 0.000 0.649 643 S N -0.408 115.238 115.700 -0.089 0.000 2.557 643 S HA 0.378 4.845 4.470 -0.006 0.000 0.291 643 S C -0.225 174.320 174.600 -0.091 0.000 1.116 643 S CA -0.631 57.523 58.200 -0.077 0.000 0.992 643 S CB 1.660 64.815 63.200 -0.074 0.000 1.028 643 S HN 0.229 nan 8.310 nan 0.000 0.484 644 N N 2.932 121.591 118.700 -0.068 0.000 2.383 644 N HA 0.087 4.823 4.740 -0.006 0.000 0.192 644 N C -0.077 175.382 175.510 -0.086 0.000 1.141 644 N CA 0.112 53.118 53.050 -0.072 0.000 0.851 644 N CB 0.232 38.707 38.487 -0.019 0.000 0.976 644 N HN 0.773 nan 8.380 nan 0.000 0.465 645 E N -0.244 119.896 120.200 -0.100 0.000 2.151 645 E HA 0.314 4.660 4.350 -0.006 0.000 0.275 645 E C -0.776 175.707 176.600 -0.195 0.000 0.936 645 E CA -0.311 56.024 56.400 -0.109 0.000 0.777 645 E CB 1.081 30.735 29.700 -0.077 0.000 1.108 645 E HN 0.058 nan 8.360 nan 0.000 0.401 646 T N 2.103 116.510 114.554 -0.245 0.000 2.598 646 T HA 0.719 5.065 4.350 -0.006 0.000 0.289 646 T C -0.549 173.874 174.700 -0.461 0.000 1.056 646 T CA 0.429 62.245 62.100 -0.472 0.000 1.088 646 T CB 0.895 69.494 68.868 -0.448 0.000 1.519 646 T HN 0.976 nan 8.240 nan 0.000 0.488 647 G N 0.483 108.892 108.800 -0.652 0.000 2.733 647 G HA2 -0.065 3.892 3.960 -0.006 0.000 0.686 647 G HA3 -0.065 3.892 3.960 -0.006 0.000 0.686 647 G C 0.353 175.152 174.900 -0.167 0.000 1.373 647 G CA -0.087 44.860 45.100 -0.255 0.000 0.838 647 G HN 1.092 nan 8.290 nan 0.000 0.588 648 L N 0.248 121.529 121.223 0.097 0.000 2.081 648 L HA 0.156 4.493 4.340 -0.006 0.000 0.212 648 L C 1.928 178.539 176.870 -0.431 0.000 1.080 648 L CA 2.378 57.196 54.840 -0.037 0.000 0.754 648 L CB -0.339 41.651 42.059 -0.116 0.000 0.893 648 L HN 0.552 nan 8.230 nan 0.000 0.433 649 F N -0.818 119.151 119.950 0.032 0.000 2.855 649 F HA 0.289 4.812 4.527 -0.006 0.000 0.317 649 F C 1.071 176.846 175.800 -0.042 0.000 1.169 649 F CA -0.542 57.453 58.000 -0.007 0.000 1.299 649 F CB -0.332 38.647 39.000 -0.036 0.000 0.962 649 F HN -0.017 nan 8.300 nan 0.000 0.506 650 N N 1.757 120.454 118.700 -0.005 0.000 2.678 650 N HA -0.217 4.519 4.740 -0.006 0.000 0.249 650 N C 0.159 175.662 175.510 -0.012 0.000 1.119 650 N CA 1.434 54.454 53.050 -0.051 0.000 0.718 650 N CB -0.709 37.756 38.487 -0.036 0.000 1.060 650 N HN 0.556 nan 8.380 nan 0.000 0.552 651 D N -1.148 119.259 120.400 0.010 0.000 2.440 651 D HA 0.130 4.767 4.640 -0.006 0.000 0.216 651 D C 0.150 176.460 176.300 0.017 0.000 1.150 651 D CA 0.111 54.124 54.000 0.022 0.000 0.832 651 D CB 0.216 41.029 40.800 0.022 0.000 0.992 651 D HN 0.359 nan 8.370 nan 0.000 0.502 652 E N -0.197 119.997 120.200 -0.010 0.000 2.320 652 E HA 0.494 4.841 4.350 -0.006 0.000 0.264 652 E C -0.435 176.162 176.600 -0.005 0.000 0.923 652 E CA -0.992 55.416 56.400 0.014 0.000 0.796 652 E CB 1.636 31.336 29.700 0.001 0.000 1.262 652 E HN 0.121 nan 8.360 nan 0.000 0.428 653 T N -1.938 112.646 114.554 0.051 0.000 2.907 653 T HA 0.219 4.565 4.350 -0.006 0.000 0.284 653 T C 1.104 175.765 174.700 -0.065 0.000 1.004 653 T CA -0.829 61.275 62.100 0.006 0.000 1.063 653 T CB 1.298 70.202 68.868 0.059 0.000 0.992 653 T HN 0.170 nan 8.240 nan 0.000 0.483 654 V N 0.675 120.491 119.914 -0.163 0.000 2.295 654 V HA 0.081 4.198 4.120 -0.006 0.000 0.246 654 V C 0.360 176.178 176.094 -0.459 0.000 1.049 654 V CA 1.284 63.375 62.300 -0.348 0.000 1.024 654 V CB -0.777 30.770 31.823 -0.460 0.000 0.648 654 V HN 0.848 nan 8.190 nan 0.000 0.447 655 F N -1.182 118.731 119.950 -0.062 0.000 2.540 655 F HA 0.711 5.235 4.527 -0.006 0.000 0.317 655 F C 0.262 176.001 175.800 -0.101 0.000 1.104 655 F CA -0.898 57.049 58.000 -0.088 0.000 0.913 655 F CB 1.250 40.196 39.000 -0.090 0.000 1.170 655 F HN -0.033 nan 8.300 nan 0.000 0.450 656 A N 3.798 126.618 122.820 -0.001 0.000 2.477 656 A HA 0.230 4.546 4.320 -0.006 0.000 0.246 656 A C 0.764 178.365 177.584 0.028 0.000 1.078 656 A CA -0.039 51.948 52.037 -0.083 0.000 0.770 656 A CB 0.555 19.340 19.000 -0.359 0.000 1.011 656 A HN 0.982 nan 8.150 nan 0.000 0.494 657 K N 0.438 120.871 120.400 0.054 0.000 2.167 657 K HA 0.014 4.331 4.320 -0.006 0.000 0.214 657 K C 0.422 177.050 176.600 0.048 0.000 1.024 657 K CA 0.915 57.234 56.287 0.053 0.000 0.951 657 K CB 0.090 32.623 32.500 0.054 0.000 0.907 657 K HN 0.815 nan 8.250 nan 0.000 0.459 658 D N 0.138 120.575 120.400 0.061 0.000 2.324 658 D HA -0.018 4.619 4.640 -0.006 0.000 0.212 658 D C 0.573 176.918 176.300 0.075 0.000 0.984 658 D CA 0.695 54.728 54.000 0.055 0.000 0.885 658 D CB 0.746 41.576 40.800 0.050 0.000 0.996 658 D HN 0.312 nan 8.370 nan 0.000 0.505 659 T N -0.933 113.692 114.554 0.118 0.000 2.900 659 T HA 0.554 4.901 4.350 -0.006 0.000 0.295 659 T C -0.215 174.643 174.700 0.263 0.000 1.044 659 T CA -0.958 61.244 62.100 0.170 0.000 0.995 659 T CB 2.523 71.496 68.868 0.175 0.000 1.072 659 T HN -0.114 nan 8.240 nan 0.000 0.473 660 V N 0.298 120.409 119.914 0.329 0.000 2.472 660 V HA 0.790 4.907 4.120 -0.006 0.000 0.290 660 V C 0.801 177.149 176.094 0.422 0.000 1.037 660 V CA -0.163 62.440 62.300 0.506 0.000 0.908 660 V CB 0.974 33.063 31.823 0.443 0.000 0.985 660 V HN 1.216 nan 8.190 nan 0.000 0.454 661 T N -0.979 113.717 114.554 0.236 0.000 3.145 661 T HA 0.409 4.756 4.350 -0.006 0.000 0.281 661 T C 0.191 174.799 174.700 -0.154 0.000 1.003 661 T CA 0.340 62.406 62.100 -0.058 0.000 0.901 661 T CB -0.586 68.166 68.868 -0.193 0.000 1.112 661 T HN 1.644 nan 8.240 nan 0.000 0.535 662 C N -1.580 117.690 119.300 -0.049 0.000 3.292 662 C HA 0.675 5.132 4.460 -0.006 0.000 0.338 662 C C 1.229 176.269 174.990 0.083 0.000 1.323 662 C CA -0.581 58.427 59.018 -0.015 0.000 1.232 662 C CB 0.847 28.550 27.740 -0.061 0.000 1.517 662 C HN 0.020 nan 8.230 nan 0.000 0.470 663 V N 1.906 121.858 119.914 0.063 0.000 2.427 663 V HA 0.072 4.189 4.120 -0.006 0.000 0.248 663 V C 2.389 178.556 176.094 0.122 0.000 1.051 663 V CA 2.763 65.110 62.300 0.078 0.000 1.048 663 V CB -0.832 31.019 31.823 0.045 0.000 0.666 663 V HN 1.212 nan 8.190 nan 0.000 0.456 664 G N -1.711 107.166 108.800 0.128 0.000 3.327 664 G HA2 -0.020 3.937 3.960 -0.006 0.000 0.240 664 G HA3 -0.020 3.937 3.960 -0.006 0.000 0.240 664 G C 0.395 175.422 174.900 0.212 0.000 1.222 664 G CA -0.314 44.876 45.100 0.149 0.000 0.871 664 G HN 0.617 nan 8.290 nan 0.000 0.525 665 H N 0.556 119.692 119.070 0.109 0.000 2.955 665 H HA 0.207 4.759 4.556 -0.005 0.000 0.290 665 H C 0.041 175.457 175.328 0.147 0.000 1.047 665 H CA -0.782 55.336 56.048 0.118 0.000 1.484 665 H CB 0.563 30.398 29.762 0.122 0.000 1.501 665 H HN 0.007 nan 8.280 nan 0.000 0.521 666 I N 6.969 127.624 120.570 0.142 0.000 2.556 666 I HA -0.123 4.044 4.170 -0.006 0.000 0.284 666 I C 0.960 177.112 176.117 0.059 0.000 1.114 666 I CA 0.377 61.752 61.300 0.126 0.000 1.418 666 I CB 0.847 38.943 38.000 0.159 0.000 1.394 666 I HN 0.691 nan 8.210 nan 0.000 0.552 667 I N 3.815 124.468 120.570 0.138 0.000 3.194 667 I HA 0.304 4.470 4.170 -0.006 0.000 0.271 667 I C 1.204 177.346 176.117 0.041 0.000 1.150 667 I CA 0.311 61.671 61.300 0.099 0.000 1.440 667 I CB 0.365 38.435 38.000 0.116 0.000 1.276 667 I HN 0.749 nan 8.210 nan 0.000 0.457 668 G N 0.188 108.977 108.800 -0.018 0.000 2.664 668 G HA2 0.767 4.724 3.960 -0.006 0.000 0.303 668 G HA3 0.767 4.724 3.960 -0.006 0.000 0.303 668 G C -1.972 172.754 174.900 -0.291 0.000 1.243 668 G CA 0.115 44.802 45.100 -0.689 0.000 0.826 668 G HN 0.233 nan 8.290 nan 0.000 0.498 669 A N -1.251 121.240 122.820 -0.548 0.000 2.555 669 A HA 0.653 4.970 4.320 -0.006 0.000 0.297 669 A C -1.432 176.127 177.584 -0.042 0.000 1.060 669 A CA -0.343 51.642 52.037 -0.087 0.000 0.710 669 A CB 1.549 20.577 19.000 0.047 0.000 1.282 669 A HN 1.402 nan 8.150 nan 0.000 0.399 670 V N 2.220 122.246 119.914 0.188 0.000 2.481 670 V HA 0.523 4.639 4.120 -0.006 0.000 0.286 670 V C -0.127 176.019 176.094 0.087 0.000 1.042 670 V CA -0.286 62.146 62.300 0.221 0.000 0.928 670 V CB 1.610 33.633 31.823 0.332 0.000 0.986 670 V HN 0.719 nan 8.190 nan 0.000 0.462 671 V N 4.484 124.376 119.914 -0.038 0.000 2.513 671 V HA 0.942 5.059 4.120 -0.006 0.000 0.299 671 V C 0.223 176.256 176.094 -0.102 0.000 1.035 671 V CA -0.085 62.189 62.300 -0.043 0.000 0.889 671 V CB 1.413 33.193 31.823 -0.073 0.000 0.988 671 V HN 1.082 nan 8.190 nan 0.000 0.440 672 A N 2.832 125.683 122.820 0.050 0.000 2.568 672 A HA 0.670 4.987 4.320 -0.006 0.000 0.291 672 A C 0.345 178.055 177.584 0.210 0.000 1.159 672 A CA 0.024 52.116 52.037 0.092 0.000 0.679 672 A CB 1.392 20.497 19.000 0.174 0.000 1.285 672 A HN 0.729 nan 8.150 nan 0.000 0.428 673 D N -0.464 120.069 120.400 0.221 0.000 2.323 673 D HA 0.053 4.690 4.640 -0.006 0.000 0.209 673 D C 0.678 177.176 176.300 0.331 0.000 0.973 673 D CA 1.646 55.800 54.000 0.257 0.000 0.874 673 D CB -0.135 40.773 40.800 0.181 0.000 0.930 673 D HN 0.748 nan 8.370 nan 0.000 0.521 674 T N -4.192 110.443 114.554 0.135 0.000 2.896 674 T HA 0.423 4.769 4.350 -0.006 0.000 0.297 674 T C -2.365 172.046 174.700 -0.481 0.000 1.108 674 T CA -1.575 60.288 62.100 -0.395 0.000 1.004 674 T CB 2.812 71.426 68.868 -0.422 0.000 1.159 674 T HN -0.353 nan 8.240 nan 0.000 0.499 675 P HA -0.009 nan 4.420 nan 0.000 0.219 675 P C 0.993 178.192 177.300 -0.169 0.000 1.150 675 P CA 1.065 63.933 63.100 -0.387 0.000 0.814 675 P CB 0.194 31.650 31.700 -0.406 0.000 0.787 676 E N -0.839 119.217 120.200 -0.240 0.000 2.085 676 E HA -0.204 4.143 4.350 -0.006 0.000 0.194 676 E C 2.137 178.719 176.600 -0.031 0.000 0.994 676 E CA 1.236 57.541 56.400 -0.159 0.000 0.801 676 E CB -0.827 28.721 29.700 -0.254 0.000 0.743 676 E HN 0.406 nan 8.360 nan 0.000 0.453 677 H N -0.744 118.320 119.070 -0.011 0.000 2.436 677 H HA 0.192 4.745 4.556 -0.006 0.000 0.294 677 H C 1.866 177.252 175.328 0.097 0.000 1.048 677 H CA 1.121 57.199 56.048 0.049 0.000 1.353 677 H CB -0.329 29.468 29.762 0.058 0.000 1.414 677 H HN 0.218 nan 8.280 nan 0.000 0.536 678 A N 0.681 123.626 122.820 0.209 0.000 1.968 678 A HA -0.137 4.180 4.320 -0.006 0.000 0.217 678 A C 2.350 180.042 177.584 0.179 0.000 1.169 678 A CA 1.455 53.610 52.037 0.197 0.000 0.638 678 A CB -0.188 18.923 19.000 0.186 0.000 0.812 678 A HN 0.486 nan 8.150 nan 0.000 0.446 679 E N -0.226 120.056 120.200 0.137 0.000 2.046 679 E HA -0.199 4.147 4.350 -0.006 0.000 0.190 679 E C 2.257 178.945 176.600 0.147 0.000 0.982 679 E CA 0.969 57.443 56.400 0.124 0.000 0.800 679 E CB -0.157 29.588 29.700 0.074 0.000 0.756 679 E HN 0.569 nan 8.360 nan 0.000 0.449 680 R N 0.145 120.734 120.500 0.147 0.000 2.080 680 R HA -0.166 4.171 4.340 -0.006 0.000 0.236 680 R C 2.305 178.700 176.300 0.157 0.000 1.137 680 R CA 1.639 57.829 56.100 0.151 0.000 0.943 680 R CB -0.384 30.013 30.300 0.161 0.000 0.846 680 R HN 0.225 nan 8.270 nan 0.000 0.431 681 A N 0.472 123.398 122.820 0.176 0.000 1.902 681 A HA -0.117 4.199 4.320 -0.006 0.000 0.217 681 A C 2.332 180.011 177.584 0.159 0.000 1.181 681 A CA 1.744 53.885 52.037 0.173 0.000 0.623 681 A CB -0.804 18.397 19.000 0.336 0.000 0.818 681 A HN 0.561 nan 8.150 nan 0.000 0.443 682 A N -1.173 121.762 122.820 0.192 0.000 1.972 682 A HA -0.171 4.145 4.320 -0.006 0.000 0.219 682 A C 1.977 179.649 177.584 0.147 0.000 1.169 682 A CA 2.003 54.149 52.037 0.182 0.000 0.635 682 A CB -0.738 18.380 19.000 0.197 0.000 0.810 682 A HN 0.764 nan 8.150 nan 0.000 0.446 683 H N -1.628 117.486 119.070 0.073 0.000 2.551 683 H HA 0.244 4.797 4.556 -0.006 0.000 0.266 683 H C 1.002 176.347 175.328 0.028 0.000 0.977 683 H CA 1.185 57.266 56.048 0.054 0.000 1.163 683 H CB 0.221 30.014 29.762 0.052 0.000 1.381 683 H HN 0.120 nan 8.280 nan 0.000 0.581 684 V N 0.500 120.353 119.914 -0.102 0.000 3.427 684 V HA 0.172 4.288 4.120 -0.006 0.000 0.305 684 V C -0.046 175.951 176.094 -0.161 0.000 1.412 684 V CA -0.035 62.171 62.300 -0.156 0.000 1.086 684 V CB 0.452 32.243 31.823 -0.054 0.000 0.964 684 V HN 0.086 nan 8.190 nan 0.000 0.439 685 V N 2.001 121.823 119.914 -0.152 0.000 2.508 685 V HA 0.250 4.367 4.120 -0.006 0.000 0.281 685 V C 0.173 176.151 176.094 -0.193 0.000 1.041 685 V CA -0.239 61.935 62.300 -0.209 0.000 1.016 685 V CB 1.225 32.908 31.823 -0.233 0.000 0.984 685 V HN 0.310 nan 8.190 nan 0.000 0.478 686 K N 4.421 124.700 120.400 -0.202 0.000 2.281 686 K HA 0.509 4.826 4.320 -0.006 0.000 0.272 686 K C -0.810 175.683 176.600 -0.178 0.000 1.048 686 K CA -0.137 56.056 56.287 -0.156 0.000 0.898 686 K CB 1.420 33.840 32.500 -0.134 0.000 1.128 686 K HN 0.456 nan 8.250 nan 0.000 0.460 687 V N 2.835 122.649 119.914 -0.167 0.000 2.435 687 V HA 0.452 4.568 4.120 -0.006 0.000 0.290 687 V C -0.024 175.844 176.094 -0.375 0.000 1.030 687 V CA -0.769 61.332 62.300 -0.332 0.000 0.881 687 V CB 1.863 33.432 31.823 -0.423 0.000 0.983 687 V HN 0.694 nan 8.190 nan 0.000 0.445 688 T N 4.459 118.776 114.554 -0.396 0.000 2.823 688 T HA 0.718 5.065 4.350 -0.006 0.000 0.279 688 T C -1.094 173.448 174.700 -0.264 0.000 0.998 688 T CA -0.237 61.745 62.100 -0.198 0.000 0.994 688 T CB 0.946 69.759 68.868 -0.093 0.000 0.960 688 T HN 0.472 nan 8.240 nan 0.000 0.448 689 Y N 0.662 120.962 120.300 -0.001 0.000 2.570 689 Y HA 0.563 5.109 4.550 -0.005 0.000 0.345 689 Y C 0.259 176.159 175.900 -0.001 0.000 1.014 689 Y CA -1.190 56.914 58.100 0.006 0.000 1.063 689 Y CB 1.878 40.348 38.460 0.016 0.000 1.272 689 Y HN 0.565 nan 8.280 nan 0.000 0.477 690 E N 1.730 122.029 120.200 0.166 0.000 2.220 690 E HA 0.239 4.585 4.350 -0.006 0.000 0.256 690 E C -1.556 175.074 176.600 0.050 0.000 0.881 690 E CA -0.816 55.633 56.400 0.081 0.000 0.766 690 E CB 0.752 30.474 29.700 0.037 0.000 1.187 690 E HN 0.541 nan 8.360 nan 0.000 0.419 691 D N 3.238 123.655 120.400 0.027 0.000 2.449 691 D HA 0.163 4.800 4.640 -0.006 0.000 0.236 691 D C -0.202 176.063 176.300 -0.058 0.000 1.149 691 D CA 0.630 54.623 54.000 -0.010 0.000 0.878 691 D CB 0.685 41.478 40.800 -0.012 0.000 1.198 691 D HN 0.380 nan 8.370 nan 0.000 0.446 692 L N 2.040 123.195 121.223 -0.114 0.000 2.388 692 L HA 0.365 4.701 4.340 -0.006 0.000 0.264 692 L C -2.313 174.515 176.870 -0.069 0.000 0.998 692 L CA -2.201 52.515 54.840 -0.206 0.000 0.817 692 L CB 1.955 43.644 42.059 -0.617 0.000 1.338 692 L HN 0.069 nan 8.230 nan 0.000 0.414 693 P HA 0.000 nan 4.420 nan 0.000 0.255 693 P C -0.846 176.557 177.300 0.172 0.000 1.161 693 P CA 0.309 63.444 63.100 0.058 0.000 0.768 693 P CB 0.403 32.125 31.700 0.036 0.000 0.746 694 A N 4.396 127.276 122.820 0.100 0.000 2.312 694 A HA 0.700 5.016 4.320 -0.006 0.000 0.328 694 A C -0.288 177.281 177.584 -0.026 0.000 1.158 694 A CA -0.674 51.396 52.037 0.056 0.000 0.821 694 A CB 0.698 19.720 19.000 0.037 0.000 1.170 694 A HN 0.492 nan 8.150 nan 0.000 0.490 695 I N 3.421 123.942 120.570 -0.082 0.000 2.466 695 I HA 0.211 4.378 4.170 -0.006 0.000 0.279 695 I C -0.138 175.903 176.117 -0.127 0.000 1.033 695 I CA -0.244 60.990 61.300 -0.110 0.000 1.123 695 I CB 1.255 39.168 38.000 -0.144 0.000 1.237 695 I HN 0.588 nan 8.210 nan 0.000 0.460 696 I N 2.552 123.052 120.570 -0.117 0.000 3.194 696 I HA 0.040 4.207 4.170 -0.006 0.000 0.271 696 I C 1.489 177.521 176.117 -0.142 0.000 1.150 696 I CA 0.991 62.206 61.300 -0.141 0.000 1.440 696 I CB -0.264 37.654 38.000 -0.137 0.000 1.276 696 I HN 0.486 nan 8.210 nan 0.000 0.457 697 T N -1.097 113.389 114.554 -0.113 0.000 2.902 697 T HA 0.477 4.824 4.350 -0.006 0.000 0.280 697 T C 1.389 176.047 174.700 -0.070 0.000 0.992 697 T CA -0.481 61.565 62.100 -0.089 0.000 1.015 697 T CB 1.915 70.729 68.868 -0.089 0.000 1.044 697 T HN 0.046 nan 8.240 nan 0.000 0.520 698 I N 0.578 121.137 120.570 -0.019 0.000 2.361 698 I HA -0.138 4.028 4.170 -0.006 0.000 0.251 698 I C 2.364 178.438 176.117 -0.071 0.000 1.133 698 I CA 1.308 62.607 61.300 -0.002 0.000 1.413 698 I CB -0.375 37.684 38.000 0.099 0.000 1.073 698 I HN 0.701 nan 8.210 nan 0.000 0.424 699 E N 0.780 120.933 120.200 -0.078 0.000 2.106 699 E HA -0.185 4.161 4.350 -0.006 0.000 0.192 699 E C 1.738 178.275 176.600 -0.105 0.000 0.984 699 E CA 0.995 57.335 56.400 -0.100 0.000 0.806 699 E CB -0.256 29.397 29.700 -0.079 0.000 0.750 699 E HN 0.374 nan 8.360 nan 0.000 0.458 700 D N 0.420 120.759 120.400 -0.102 0.000 2.123 700 D HA -0.144 4.493 4.640 -0.006 0.000 0.196 700 D C 1.835 178.039 176.300 -0.159 0.000 0.992 700 D CA 1.606 55.539 54.000 -0.112 0.000 0.833 700 D CB -0.299 40.439 40.800 -0.104 0.000 0.954 700 D HN 0.225 nan 8.370 nan 0.000 0.455 701 A N 0.572 123.277 122.820 -0.191 0.000 1.897 701 A HA -0.080 4.237 4.320 -0.006 0.000 0.215 701 A C 2.383 179.713 177.584 -0.423 0.000 1.181 701 A CA 0.649 52.497 52.037 -0.314 0.000 0.620 701 A CB -0.648 18.186 19.000 -0.277 0.000 0.821 701 A HN 0.167 nan 8.150 nan 0.000 0.443 702 I N -0.109 120.325 120.570 -0.227 0.000 2.286 702 I HA -0.283 3.884 4.170 -0.006 0.000 0.248 702 I C 2.544 178.607 176.117 -0.089 0.000 1.115 702 I CA 1.990 63.238 61.300 -0.087 0.000 1.392 702 I CB -0.099 37.818 38.000 -0.139 0.000 1.065 702 I HN 0.478 nan 8.210 nan 0.000 0.418 703 K N 0.784 121.111 120.400 -0.120 0.000 2.186 703 K HA -0.058 4.259 4.320 -0.006 0.000 0.202 703 K C 1.400 177.944 176.600 -0.093 0.000 1.052 703 K CA 1.139 57.379 56.287 -0.080 0.000 0.965 703 K CB -0.065 32.393 32.500 -0.070 0.000 0.746 703 K HN 0.342 nan 8.250 nan 0.000 0.457 704 N N 1.316 119.926 118.700 -0.150 0.000 2.398 704 N HA -0.046 4.691 4.740 -0.006 0.000 0.188 704 N C -0.573 174.818 175.510 -0.199 0.000 1.122 704 N CA 0.149 53.110 53.050 -0.148 0.000 0.866 704 N CB -0.033 38.364 38.487 -0.149 0.000 0.970 704 N HN 0.226 nan 8.380 nan 0.000 0.462 705 N N 0.770 119.301 118.700 -0.281 0.000 2.688 705 N HA -0.178 4.559 4.740 -0.006 0.000 0.258 705 N C -1.026 174.153 175.510 -0.552 0.000 1.016 705 N CA 0.356 53.197 53.050 -0.347 0.000 0.747 705 N CB -0.794 37.723 38.487 0.049 0.000 0.895 705 N HN 0.020 nan 8.380 nan 0.000 0.543 706 S N 1.212 116.375 115.700 -0.894 0.000 2.665 706 S HA 0.553 5.020 4.470 -0.006 0.000 0.230 706 S C -0.633 173.522 174.600 -0.742 0.000 1.326 706 S CA -0.596 57.242 58.200 -0.603 0.000 1.055 706 S CB -0.144 62.801 63.200 -0.425 0.000 1.178 706 S HN 0.309 nan 8.310 nan 0.000 0.489 707 F N 2.015 121.860 119.950 -0.174 0.000 2.575 707 F HA 0.509 5.032 4.527 -0.006 0.000 0.330 707 F C -0.433 175.216 175.800 -0.251 0.000 1.056 707 F CA -1.292 56.596 58.000 -0.187 0.000 0.964 707 F CB 1.283 40.250 39.000 -0.054 0.000 1.258 707 F HN 0.288 nan 8.300 nan 0.000 0.484 708 Y N 1.111 121.523 120.300 0.187 0.000 2.353 708 Y HA 0.503 5.049 4.550 -0.006 0.000 0.340 708 Y C 0.777 176.713 175.900 0.060 0.000 0.972 708 Y CA -0.141 58.005 58.100 0.077 0.000 1.157 708 Y CB 0.970 39.444 38.460 0.023 0.000 1.157 708 Y HN 0.888 nan 8.280 nan 0.000 0.495 709 G N 1.996 110.908 108.800 0.187 0.000 2.645 709 G HA2 -0.180 3.776 3.960 -0.006 0.000 0.239 709 G HA3 -0.180 3.776 3.960 -0.006 0.000 0.239 709 G C -0.324 174.609 174.900 0.055 0.000 1.331 709 G CA -0.344 44.812 45.100 0.093 0.000 0.890 709 G HN 0.979 nan 8.290 nan 0.000 0.572 710 S N -1.032 114.675 115.700 0.012 0.000 2.747 710 S HA 0.689 5.156 4.470 -0.006 0.000 0.300 710 S C 0.004 174.552 174.600 -0.087 0.000 1.121 710 S CA 0.252 58.430 58.200 -0.037 0.000 0.995 710 S CB 2.098 65.285 63.200 -0.021 0.000 1.113 710 S HN 0.999 nan 8.310 nan 0.000 0.547 711 E N 0.498 120.624 120.200 -0.123 0.000 2.299 711 E HA 0.197 4.544 4.350 -0.006 0.000 0.272 711 E C -0.771 175.755 176.600 -0.123 0.000 1.043 711 E CA -0.193 56.112 56.400 -0.158 0.000 0.895 711 E CB 0.272 29.883 29.700 -0.148 0.000 1.011 711 E HN 0.495 nan 8.360 nan 0.000 0.432 712 L N 4.545 125.664 121.223 -0.173 0.000 2.395 712 L HA 0.346 4.683 4.340 -0.006 0.000 0.269 712 L C 0.384 177.225 176.870 -0.048 0.000 1.133 712 L CA 0.171 54.903 54.840 -0.180 0.000 0.812 712 L CB 0.756 42.602 42.059 -0.356 0.000 1.125 712 L HN 0.461 nan 8.230 nan 0.000 0.452 713 K N 3.262 123.720 120.400 0.097 0.000 2.542 713 K HA 0.611 4.928 4.320 -0.006 0.000 0.259 713 K C -1.798 174.952 176.600 0.250 0.000 0.932 713 K CA -0.579 55.794 56.287 0.144 0.000 0.820 713 K CB 2.117 34.675 32.500 0.097 0.000 1.345 713 K HN 0.497 nan 8.250 nan 0.000 0.432 714 I N 1.835 122.518 120.570 0.188 0.000 2.689 714 I HA 0.382 4.548 4.170 -0.006 0.000 0.299 714 I C -1.135 175.084 176.117 0.170 0.000 1.059 714 I CA -0.732 60.675 61.300 0.180 0.000 1.055 714 I CB 2.310 40.416 38.000 0.176 0.000 1.243 714 I HN 0.713 nan 8.210 nan 0.000 0.425 715 E N 5.089 125.380 120.200 0.152 0.000 2.565 715 E HA 0.298 4.644 4.350 -0.006 0.000 0.343 715 E C -1.650 175.005 176.600 0.091 0.000 0.968 715 E CA -0.571 55.895 56.400 0.109 0.000 0.773 715 E CB 1.219 30.971 29.700 0.088 0.000 1.513 715 E HN 0.542 nan 8.360 nan 0.000 0.384 716 K N 2.725 123.176 120.400 0.085 0.000 2.281 716 K HA 0.819 5.136 4.320 -0.006 0.000 0.242 716 K C 0.357 176.968 176.600 0.018 0.000 0.971 716 K CA 0.001 56.322 56.287 0.058 0.000 0.834 716 K CB 1.376 33.923 32.500 0.079 0.000 1.181 716 K HN 0.714 nan 8.250 nan 0.000 0.435 717 G N 1.686 110.488 108.800 0.003 0.000 2.641 717 G HA2 -0.253 3.704 3.960 -0.006 0.000 0.254 717 G HA3 -0.253 3.704 3.960 -0.006 0.000 0.254 717 G C -1.072 173.814 174.900 -0.024 0.000 1.315 717 G CA -0.015 45.073 45.100 -0.020 0.000 0.907 717 G HN 0.680 nan 8.290 nan 0.000 0.572 718 D N 0.327 120.702 120.400 -0.041 0.000 2.349 718 D HA 0.452 5.089 4.640 -0.006 0.000 0.232 718 D C 1.358 177.617 176.300 -0.069 0.000 1.071 718 D CA -0.607 53.372 54.000 -0.036 0.000 0.832 718 D CB 1.263 42.046 40.800 -0.028 0.000 1.086 718 D HN 0.278 nan 8.370 nan 0.000 0.504 719 L N 3.813 125.008 121.223 -0.048 0.000 2.102 719 L HA 0.031 4.368 4.340 -0.006 0.000 0.202 719 L C 0.752 177.619 176.870 -0.004 0.000 1.076 719 L CA 0.893 55.679 54.840 -0.089 0.000 0.761 719 L CB 0.033 42.095 42.059 0.004 0.000 0.921 719 L HN 0.367 nan 8.230 nan 0.000 0.444 720 K N 0.465 120.926 120.400 0.101 0.000 2.183 720 K HA 0.444 4.761 4.320 -0.006 0.000 0.272 720 K C 0.042 176.677 176.600 0.058 0.000 1.113 720 K CA 0.565 56.937 56.287 0.142 0.000 0.949 720 K CB 0.828 33.404 32.500 0.126 0.000 1.365 720 K HN 0.096 nan 8.250 nan 0.000 0.420 721 K N 2.086 122.508 120.400 0.035 0.000 1.175 721 K HA -0.040 4.277 4.320 -0.006 0.000 0.076 721 K C 1.536 178.114 176.600 -0.037 0.000 2.460 721 K CA 0.247 56.532 56.287 -0.003 0.000 1.020 721 K CB -1.778 30.713 32.500 -0.015 0.000 2.744 721 K HN 0.471 nan 8.250 nan 0.000 0.330 722 G N -0.096 108.647 108.800 -0.096 0.000 2.394 722 G HA2 0.092 4.048 3.960 -0.006 0.000 0.214 722 G HA3 0.092 4.048 3.960 -0.006 0.000 0.214 722 G C 1.646 176.466 174.900 -0.133 0.000 1.176 722 G CA 1.346 46.343 45.100 -0.171 0.000 0.786 722 G HN 0.486 nan 8.290 nan 0.000 0.533 723 F N 1.312 121.236 119.950 -0.042 0.000 2.146 723 F HA -0.059 4.464 4.527 -0.006 0.000 0.298 723 F C 3.174 178.943 175.800 -0.051 0.000 1.096 723 F CA 0.990 58.961 58.000 -0.048 0.000 1.275 723 F CB 0.038 39.012 39.000 -0.043 0.000 1.008 723 F HN 0.079 nan 8.300 nan 0.000 0.480 724 S N -0.391 115.393 115.700 0.141 0.000 2.383 724 S HA -0.254 4.213 4.470 -0.006 0.000 0.229 724 S C 1.749 176.363 174.600 0.022 0.000 1.030 724 S CA 1.575 59.810 58.200 0.059 0.000 1.002 724 S CB -0.322 62.901 63.200 0.037 0.000 0.829 724 S HN 0.282 nan 8.310 nan 0.000 0.467 725 E N 1.477 121.682 120.200 0.007 0.000 2.511 725 E HA 0.210 4.556 4.350 -0.006 0.000 0.196 725 E C 0.335 176.920 176.600 -0.025 0.000 1.066 725 E CA 0.048 56.438 56.400 -0.016 0.000 0.871 725 E CB -0.146 29.537 29.700 -0.030 0.000 0.863 725 E HN 0.387 nan 8.360 nan 0.000 0.520 726 A N 1.055 123.869 122.820 -0.010 0.000 2.395 726 A HA 0.125 4.442 4.320 -0.006 0.000 0.286 726 A C 0.565 178.095 177.584 -0.090 0.000 1.193 726 A CA -0.275 51.739 52.037 -0.039 0.000 0.852 726 A CB 0.247 19.269 19.000 0.036 0.000 1.118 726 A HN 0.098 nan 8.150 nan 0.000 0.524 727 D N 1.340 121.662 120.400 -0.131 0.000 2.133 727 D HA -0.096 4.541 4.640 -0.006 0.000 0.195 727 D C 0.142 176.290 176.300 -0.253 0.000 0.997 727 D CA 1.664 55.567 54.000 -0.161 0.000 0.840 727 D CB 0.118 40.827 40.800 -0.152 0.000 0.947 727 D HN 0.580 nan 8.370 nan 0.000 0.452 728 N N -0.467 117.951 118.700 -0.470 0.000 2.249 728 N HA 0.321 5.057 4.740 -0.006 0.000 0.296 728 N C -1.294 173.841 175.510 -0.625 0.000 1.051 728 N CA -0.371 52.257 53.050 -0.704 0.000 0.815 728 N CB 3.163 40.806 38.487 -1.406 0.000 1.487 728 N HN -0.260 nan 8.380 nan 0.000 0.475 729 V N 2.109 121.873 119.914 -0.249 0.000 2.483 729 V HA 0.447 4.563 4.120 -0.006 0.000 0.297 729 V C -0.248 175.908 176.094 0.103 0.000 1.027 729 V CA -0.698 61.601 62.300 -0.002 0.000 0.855 729 V CB 2.013 33.805 31.823 -0.051 0.000 0.995 729 V HN 0.318 nan 8.190 nan 0.000 0.424 730 V N 4.193 124.283 119.914 0.293 0.000 2.555 730 V HA 0.814 4.931 4.120 -0.006 0.000 0.302 730 V C 0.075 176.208 176.094 0.065 0.000 1.038 730 V CA -0.276 62.147 62.300 0.204 0.000 0.887 730 V CB 2.151 34.162 31.823 0.313 0.000 0.991 730 V HN 0.987 nan 8.190 nan 0.000 0.434 731 S N 2.764 118.419 115.700 -0.074 0.000 2.599 731 S HA 1.019 5.486 4.470 -0.006 0.000 0.287 731 S C -0.366 173.959 174.600 -0.458 0.000 1.105 731 S CA 0.090 58.119 58.200 -0.285 0.000 0.899 731 S CB 2.387 65.462 63.200 -0.209 0.000 1.100 731 S HN 1.536 nan 8.310 nan 0.000 0.482 732 G N 0.260 108.551 108.800 -0.849 0.000 2.428 732 G HA2 0.534 4.490 3.960 -0.006 0.000 0.305 732 G HA3 0.534 4.490 3.960 -0.006 0.000 0.305 732 G C -2.035 172.607 174.900 -0.430 0.000 1.260 732 G CA -0.549 44.148 45.100 -0.671 0.000 0.853 732 G HN 0.934 nan 8.290 nan 0.000 0.480 733 E N -1.214 119.021 120.200 0.058 0.000 2.366 733 E HA 0.639 4.986 4.350 -0.006 0.000 0.278 733 E C -2.195 174.646 176.600 0.402 0.000 0.923 733 E CA -0.730 55.825 56.400 0.258 0.000 0.761 733 E CB 2.673 32.461 29.700 0.148 0.000 1.231 733 E HN 0.538 nan 8.360 nan 0.000 0.443 734 L N 3.729 125.191 121.223 0.399 0.000 2.472 734 L HA 0.511 4.848 4.340 -0.006 0.000 0.260 734 L C -2.090 175.025 176.870 0.407 0.000 0.963 734 L CA -0.593 54.464 54.840 0.363 0.000 0.829 734 L CB 1.836 44.050 42.059 0.259 0.000 1.348 734 L HN 0.644 nan 8.230 nan 0.000 0.408 735 Y N 4.925 125.389 120.300 0.272 0.000 2.393 735 Y HA 0.701 5.247 4.550 -0.006 0.000 0.341 735 Y C -1.078 174.989 175.900 0.279 0.000 0.988 735 Y CA -0.799 57.457 58.100 0.260 0.000 1.078 735 Y CB 1.664 40.244 38.460 0.199 0.000 1.203 735 Y HN 0.605 nan 8.280 nan 0.000 0.453 736 I N 6.116 126.491 120.570 -0.324 0.000 2.410 736 I HA 0.610 4.777 4.170 -0.006 0.000 0.286 736 I C 0.200 175.940 176.117 -0.629 0.000 1.009 736 I CA -0.531 60.581 61.300 -0.313 0.000 1.111 736 I CB 0.721 38.640 38.000 -0.135 0.000 1.262 736 I HN 0.849 nan 8.210 nan 0.000 0.443 737 G N 4.606 113.196 108.800 -0.350 0.000 2.614 737 G HA2 0.392 4.349 3.960 -0.006 0.000 0.239 737 G HA3 0.392 4.349 3.960 -0.006 0.000 0.239 737 G C 0.409 175.251 174.900 -0.097 0.000 1.240 737 G CA 0.085 45.129 45.100 -0.093 0.000 0.842 737 G HN 0.853 nan 8.290 nan 0.000 0.584 738 G N -1.288 107.524 108.800 0.020 0.000 2.489 738 G HA2 0.496 4.453 3.960 -0.006 0.000 0.271 738 G HA3 0.496 4.453 3.960 -0.006 0.000 0.271 738 G C -0.216 174.647 174.900 -0.062 0.000 1.427 738 G CA -0.202 44.893 45.100 -0.010 0.000 1.057 738 G HN 0.738 nan 8.290 nan 0.000 0.532 739 Q N -1.312 118.443 119.800 -0.074 0.000 2.403 739 Q HA 0.219 4.556 4.340 -0.006 0.000 0.267 739 Q C -2.149 173.910 176.000 0.098 0.000 0.991 739 Q CA -0.671 55.095 55.803 -0.063 0.000 0.906 739 Q CB 2.341 30.789 28.738 -0.484 0.000 1.422 739 Q HN 0.574 nan 8.270 nan 0.000 0.400 740 D N 0.057 120.521 120.400 0.106 0.000 2.302 740 D HA 0.177 4.814 4.640 -0.006 0.000 0.248 740 D C 0.581 176.983 176.300 0.171 0.000 1.094 740 D CA 0.258 54.255 54.000 -0.004 0.000 0.897 740 D CB 0.893 41.501 40.800 -0.320 0.000 1.200 740 D HN 0.550 nan 8.370 nan 0.000 0.429 741 H N 2.664 121.682 119.070 -0.086 0.000 2.389 741 H HA 0.029 4.581 4.556 -0.005 0.000 0.299 741 H C 0.563 175.697 175.328 -0.324 0.000 1.081 741 H CA 0.718 56.450 56.048 -0.527 0.000 1.345 741 H CB -0.206 29.057 29.762 -0.832 0.000 1.393 741 H HN 0.493 nan 8.280 nan 0.000 0.520 742 F N 0.784 120.486 119.950 -0.413 0.000 3.056 742 F HA -0.291 4.233 4.527 -0.005 0.000 0.266 742 F C -0.605 175.135 175.800 -0.099 0.000 0.957 742 F CA -0.477 57.390 58.000 -0.223 0.000 0.894 742 F CB -1.724 37.273 39.000 -0.006 0.000 0.832 742 F HN 0.166 nan 8.300 nan 0.000 0.745 743 Y N -0.793 119.680 120.300 0.288 0.000 2.810 743 Y HA 0.031 4.578 4.550 -0.005 0.000 0.332 743 Y C 1.139 177.111 175.900 0.119 0.000 1.243 743 Y CA -0.941 57.365 58.100 0.343 0.000 1.537 743 Y CB -0.027 38.522 38.460 0.148 0.000 1.265 743 Y HN 0.091 nan 8.280 nan 0.000 0.572 744 L N 1.233 122.643 121.223 0.311 0.000 2.131 744 L HA -0.095 4.242 4.340 -0.006 0.000 0.210 744 L C 1.109 178.008 176.870 0.049 0.000 1.092 744 L CA 1.428 56.361 54.840 0.155 0.000 0.759 744 L CB -0.567 41.572 42.059 0.134 0.000 0.903 744 L HN 0.849 nan 8.230 nan 0.000 0.435 745 E N 0.715 120.928 120.200 0.021 0.000 2.167 745 E HA 0.146 4.492 4.350 -0.006 0.000 0.284 745 E C -0.068 176.488 176.600 -0.074 0.000 1.016 745 E CA -0.274 56.083 56.400 -0.072 0.000 0.817 745 E CB 1.062 30.668 29.700 -0.157 0.000 1.080 745 E HN 0.219 nan 8.360 nan 0.000 0.397 746 T N 1.384 115.912 114.554 -0.043 0.000 2.754 746 T HA 0.131 4.478 4.350 -0.006 0.000 0.286 746 T C 0.572 175.156 174.700 -0.194 0.000 0.997 746 T CA -0.618 61.461 62.100 -0.036 0.000 0.982 746 T CB 0.487 69.398 68.868 0.073 0.000 1.027 746 T HN 0.426 nan 8.240 nan 0.000 0.529 747 H N -0.787 118.199 119.070 -0.140 0.000 3.001 747 H HA 0.260 4.813 4.556 -0.006 0.000 0.334 747 H C -0.109 175.194 175.328 -0.042 0.000 1.034 747 H CA 0.230 56.202 56.048 -0.127 0.000 1.420 747 H CB 0.337 30.060 29.762 -0.065 0.000 1.405 747 H HN 0.692 nan 8.280 nan 0.000 0.593 748 C N 3.748 123.086 119.300 0.063 0.000 2.752 748 C HA 0.327 4.784 4.460 -0.006 0.000 0.360 748 C C -0.501 174.534 174.990 0.074 0.000 1.081 748 C CA -0.270 58.788 59.018 0.066 0.000 1.272 748 C CB 0.787 28.551 27.740 0.040 0.000 1.754 748 C HN 0.871 nan 8.230 nan 0.000 0.483 749 T N 6.318 120.924 114.554 0.087 0.000 2.876 749 T HA 0.643 4.990 4.350 -0.006 0.000 0.289 749 T C -0.841 173.922 174.700 0.105 0.000 1.014 749 T CA -0.243 61.912 62.100 0.093 0.000 0.986 749 T CB 1.223 70.135 68.868 0.074 0.000 1.021 749 T HN 0.563 nan 8.240 nan 0.000 0.458 750 I N 2.272 122.934 120.570 0.155 0.000 2.406 750 I HA 0.682 4.849 4.170 -0.006 0.000 0.290 750 I C -0.093 176.144 176.117 0.200 0.000 0.999 750 I CA -0.965 60.441 61.300 0.176 0.000 1.124 750 I CB 1.653 39.789 38.000 0.227 0.000 1.289 750 I HN 0.671 nan 8.210 nan 0.000 0.441 751 A N 7.799 130.696 122.820 0.129 0.000 2.318 751 A HA 0.841 5.157 4.320 -0.006 0.000 0.317 751 A C -0.704 176.938 177.584 0.096 0.000 1.159 751 A CA -0.431 51.660 52.037 0.091 0.000 0.799 751 A CB 0.668 19.700 19.000 0.055 0.000 1.194 751 A HN 0.686 nan 8.150 nan 0.000 0.479 752 I N 4.529 125.152 120.570 0.089 0.000 2.382 752 I HA 0.347 4.513 4.170 -0.006 0.000 0.285 752 I C -2.419 173.695 176.117 -0.005 0.000 1.007 752 I CA -2.096 59.239 61.300 0.057 0.000 1.142 752 I CB 2.356 40.434 38.000 0.131 0.000 1.289 752 I HN 0.397 nan 8.210 nan 0.000 0.453 753 P HA 0.254 nan 4.420 nan 0.000 0.292 753 P C -0.244 177.011 177.300 -0.075 0.000 1.287 753 P CA -0.632 62.442 63.100 -0.043 0.000 0.800 753 P CB 1.615 33.285 31.700 -0.050 0.000 0.945 754 K N 2.223 122.589 120.400 -0.057 0.000 2.228 754 K HA 0.096 4.413 4.320 -0.006 0.000 0.202 754 K C 1.591 178.150 176.600 -0.067 0.000 1.051 754 K CA 1.187 57.438 56.287 -0.060 0.000 0.960 754 K CB -0.937 31.540 32.500 -0.038 0.000 0.743 754 K HN 0.832 nan 8.250 nan 0.000 0.458 755 G N 0.960 109.720 108.800 -0.067 0.000 2.213 755 G HA2 -0.234 3.723 3.960 -0.006 0.000 0.236 755 G HA3 -0.234 3.723 3.960 -0.006 0.000 0.236 755 G C -0.280 174.588 174.900 -0.054 0.000 0.991 755 G CA -0.029 45.025 45.100 -0.076 0.000 0.629 755 G HN 0.359 nan 8.290 nan 0.000 0.517 756 E N 0.577 120.754 120.200 -0.038 0.000 2.176 756 E HA 0.514 4.861 4.350 -0.006 0.000 0.267 756 E C 0.184 176.775 176.600 -0.015 0.000 0.893 756 E CA -0.784 55.600 56.400 -0.025 0.000 0.761 756 E CB 1.106 30.793 29.700 -0.022 0.000 1.133 756 E HN 0.142 nan 8.360 nan 0.000 0.409 757 E N 1.434 121.629 120.200 -0.008 0.000 2.883 757 E HA -0.277 4.070 4.350 -0.006 0.000 0.271 757 E C 0.752 177.358 176.600 0.009 0.000 1.049 757 E CA 1.231 57.631 56.400 -0.000 0.000 0.817 757 E CB -1.533 28.164 29.700 -0.004 0.000 1.407 757 E HN 1.136 nan 8.360 nan 0.000 0.434 758 G N -0.094 108.718 108.800 0.020 0.000 2.179 758 G HA2 -0.367 3.589 3.960 -0.006 0.000 0.260 758 G HA3 -0.367 3.589 3.960 -0.006 0.000 0.260 758 G C 0.139 175.053 174.900 0.023 0.000 0.977 758 G CA 0.556 45.680 45.100 0.040 0.000 0.641 758 G HN 0.375 nan 8.290 nan 0.000 0.533 759 E N -0.132 120.070 120.200 0.003 0.000 2.442 759 E HA 0.458 4.805 4.350 -0.006 0.000 0.262 759 E C 0.330 176.923 176.600 -0.011 0.000 1.004 759 E CA 0.560 56.955 56.400 -0.009 0.000 0.928 759 E CB 0.500 30.190 29.700 -0.016 0.000 0.937 759 E HN 0.433 nan 8.360 nan 0.000 0.446 760 M N 2.441 122.029 119.600 -0.021 0.000 2.365 760 M HA 0.187 4.664 4.480 -0.006 0.000 0.287 760 M C -1.758 174.505 176.300 -0.061 0.000 1.154 760 M CA -0.361 54.923 55.300 -0.027 0.000 0.941 760 M CB 2.162 34.758 32.600 -0.007 0.000 1.704 760 M HN 0.447 nan 8.290 nan 0.000 0.479 761 E N 4.017 124.169 120.200 -0.080 0.000 2.199 761 E HA 0.659 5.005 4.350 -0.006 0.000 0.265 761 E C -2.077 174.371 176.600 -0.253 0.000 0.882 761 E CA -0.574 55.717 56.400 -0.182 0.000 0.759 761 E CB 1.578 31.182 29.700 -0.160 0.000 1.148 761 E HN 0.588 nan 8.360 nan 0.000 0.412 762 L N 4.332 125.329 121.223 -0.377 0.000 2.381 762 L HA 0.533 4.870 4.340 -0.006 0.000 0.268 762 L C -1.189 175.391 176.870 -0.484 0.000 0.997 762 L CA -0.547 54.130 54.840 -0.271 0.000 0.818 762 L CB 1.379 43.370 42.059 -0.114 0.000 1.310 762 L HN 0.502 nan 8.230 nan 0.000 0.416 763 F N 2.832 122.789 119.950 0.012 0.000 2.427 763 F HA 0.721 5.245 4.527 -0.006 0.000 0.348 763 F C -0.073 175.728 175.800 0.002 0.000 1.125 763 F CA -0.997 57.005 58.000 0.004 0.000 0.989 763 F CB 1.905 40.911 39.000 0.010 0.000 1.165 763 F HN 0.165 nan 8.300 nan 0.000 0.442 764 V N 1.761 121.746 119.914 0.119 0.000 2.841 764 V HA 0.571 4.688 4.120 -0.006 0.000 0.310 764 V C -0.660 175.451 176.094 0.028 0.000 1.090 764 V CA -0.488 61.851 62.300 0.064 0.000 0.930 764 V CB 2.240 34.082 31.823 0.031 0.000 1.014 764 V HN 0.659 nan 8.190 nan 0.000 0.425 765 S N 4.194 119.894 115.700 -0.000 0.000 3.072 765 S HA 0.500 4.966 4.470 -0.006 0.000 0.306 765 S C -0.130 174.404 174.600 -0.109 0.000 1.207 765 S CA 0.430 58.588 58.200 -0.071 0.000 1.008 765 S CB -0.885 62.241 63.200 -0.123 0.000 1.390 765 S HN 1.179 nan 8.310 nan 0.000 0.523 766 T N 3.001 117.506 114.554 -0.082 0.000 2.894 766 T HA 0.375 4.721 4.350 -0.006 0.000 0.309 766 T C 0.236 174.891 174.700 -0.075 0.000 1.208 766 T CA -0.524 61.531 62.100 -0.074 0.000 1.016 766 T CB 1.690 70.536 68.868 -0.036 0.000 1.192 766 T HN 0.501 nan 8.240 nan 0.000 0.491 767 Q N 1.280 121.042 119.800 -0.064 0.000 2.384 767 Q HA 0.282 4.618 4.340 -0.006 0.000 0.207 767 Q C 0.091 176.082 176.000 -0.016 0.000 0.904 767 Q CA -0.001 55.776 55.803 -0.043 0.000 0.933 767 Q CB 0.421 29.142 28.738 -0.030 0.000 1.077 767 Q HN 0.312 nan 8.270 nan 0.000 0.522 768 N N 0.037 118.719 118.700 -0.031 0.000 2.841 768 N HA 0.286 5.022 4.740 -0.006 0.000 0.257 768 N C -0.237 175.226 175.510 -0.079 0.000 1.396 768 N CA -0.065 52.958 53.050 -0.045 0.000 0.823 768 N CB 1.058 39.513 38.487 -0.054 0.000 1.162 768 N HN 0.123 nan 8.380 nan 0.000 0.503 769 A N 2.694 125.472 122.820 -0.069 0.000 1.933 769 A HA -0.168 4.148 4.320 -0.006 0.000 0.218 769 A C 2.137 179.662 177.584 -0.099 0.000 1.175 769 A CA 1.169 53.158 52.037 -0.081 0.000 0.628 769 A CB -0.330 18.625 19.000 -0.074 0.000 0.814 769 A HN 0.685 nan 8.150 nan 0.000 0.444 770 M N -0.870 118.674 119.600 -0.094 0.000 2.065 770 M HA -0.182 4.295 4.480 -0.006 0.000 0.259 770 M C 1.707 177.893 176.300 -0.191 0.000 1.069 770 M CA 2.024 57.258 55.300 -0.110 0.000 1.110 770 M CB -0.150 32.401 32.600 -0.082 0.000 1.328 770 M HN 0.133 nan 8.290 nan 0.000 0.405 771 K N -0.175 120.057 120.400 -0.280 0.000 2.167 771 K HA -0.003 4.314 4.320 -0.006 0.000 0.203 771 K C 1.902 178.151 176.600 -0.585 0.000 1.052 771 K CA 1.703 57.641 56.287 -0.580 0.000 0.956 771 K CB -0.694 31.378 32.500 -0.713 0.000 0.735 771 K HN 0.476 nan 8.250 nan 0.000 0.451 772 T N 1.824 116.200 114.554 -0.297 0.000 2.652 772 T HA -0.217 4.129 4.350 -0.006 0.000 0.267 772 T C 1.933 176.569 174.700 -0.105 0.000 1.039 772 T CA 1.483 63.492 62.100 -0.152 0.000 1.153 772 T CB -0.154 68.660 68.868 -0.090 0.000 0.863 772 T HN 0.340 nan 8.240 nan 0.000 0.428 773 Q N 0.525 120.257 119.800 -0.113 0.000 2.096 773 Q HA -0.136 4.201 4.340 -0.006 0.000 0.204 773 Q C 2.536 178.504 176.000 -0.053 0.000 0.982 773 Q CA 1.584 57.341 55.803 -0.077 0.000 0.850 773 Q CB -0.244 28.447 28.738 -0.078 0.000 0.901 773 Q HN 0.398 nan 8.270 nan 0.000 0.422 774 S N -0.239 115.410 115.700 -0.084 0.000 2.368 774 S HA -0.091 4.376 4.470 -0.006 0.000 0.225 774 S C 1.489 176.182 174.600 0.156 0.000 1.030 774 S CA 1.000 59.195 58.200 -0.008 0.000 0.999 774 S CB -0.202 62.960 63.200 -0.064 0.000 0.844 774 S HN 0.388 nan 8.310 nan 0.000 0.459 775 F N 0.957 120.875 119.950 -0.053 0.000 2.234 775 F HA 0.087 4.610 4.527 -0.006 0.000 0.296 775 F C 2.326 178.084 175.800 -0.070 0.000 1.089 775 F CA -0.247 57.716 58.000 -0.062 0.000 1.343 775 F CB -1.361 37.603 39.000 -0.060 0.000 1.040 775 F HN 0.013 nan 8.300 nan 0.000 0.498 776 V N 0.343 120.327 119.914 0.117 0.000 2.261 776 V HA -0.294 3.822 4.120 -0.006 0.000 0.246 776 V C 2.710 178.807 176.094 0.005 0.000 1.047 776 V CA 1.825 64.143 62.300 0.031 0.000 1.015 776 V CB -1.410 30.416 31.823 0.005 0.000 0.642 776 V HN 0.297 nan 8.190 nan 0.000 0.446 777 A N -0.329 122.497 122.820 0.011 0.000 1.892 777 A HA -0.322 3.995 4.320 -0.006 0.000 0.218 777 A C 2.358 179.935 177.584 -0.012 0.000 1.188 777 A CA 2.476 54.511 52.037 -0.005 0.000 0.631 777 A CB -0.565 18.434 19.000 -0.002 0.000 0.822 777 A HN 0.535 nan 8.150 nan 0.000 0.447 778 K N -1.108 119.300 120.400 0.013 0.000 2.026 778 K HA -0.155 4.161 4.320 -0.006 0.000 0.208 778 K C 2.186 178.751 176.600 -0.058 0.000 1.048 778 K CA 1.621 57.900 56.287 -0.014 0.000 0.929 778 K CB -0.254 32.251 32.500 0.008 0.000 0.713 778 K HN 0.467 nan 8.250 nan 0.000 0.439 779 M N 1.152 120.710 119.600 -0.069 0.000 2.108 779 M HA -0.168 4.309 4.480 -0.006 0.000 0.261 779 M C 1.698 177.912 176.300 -0.144 0.000 1.066 779 M CA 1.642 56.875 55.300 -0.113 0.000 1.107 779 M CB -0.370 32.157 32.600 -0.121 0.000 1.356 779 M HN 0.235 nan 8.290 nan 0.000 0.406 780 L N -0.403 120.736 121.223 -0.140 0.000 2.313 780 L HA 0.084 4.420 4.340 -0.006 0.000 0.214 780 L C 1.360 178.136 176.870 -0.157 0.000 1.119 780 L CA 0.622 55.338 54.840 -0.206 0.000 0.809 780 L CB -0.585 41.389 42.059 -0.141 0.000 0.933 780 L HN 0.647 nan 8.230 nan 0.000 0.449 781 G N 0.566 109.309 108.800 -0.095 0.000 2.171 781 G HA2 -0.215 3.741 3.960 -0.006 0.000 0.238 781 G HA3 -0.215 3.741 3.960 -0.006 0.000 0.238 781 G C -0.279 174.596 174.900 -0.041 0.000 1.039 781 G CA 0.154 45.214 45.100 -0.066 0.000 0.759 781 G HN 0.126 nan 8.290 nan 0.000 0.501 782 V N 0.244 120.138 119.914 -0.034 0.000 2.823 782 V HA 0.742 4.859 4.120 -0.006 0.000 0.312 782 V C -1.970 174.115 176.094 -0.015 0.000 1.072 782 V CA -1.880 60.409 62.300 -0.018 0.000 0.937 782 V CB 2.364 34.180 31.823 -0.011 0.000 1.013 782 V HN 0.124 nan 8.190 nan 0.000 0.430 783 P HA 0.146 nan 4.420 nan 0.000 0.270 783 P C 0.818 178.109 177.300 -0.015 0.000 1.223 783 P CA -0.032 63.060 63.100 -0.013 0.000 0.785 783 P CB 0.658 32.350 31.700 -0.012 0.000 0.923 784 V N 1.325 121.229 119.914 -0.016 0.000 2.407 784 V HA -0.248 3.868 4.120 -0.006 0.000 0.248 784 V C 2.070 178.151 176.094 -0.023 0.000 1.055 784 V CA 2.316 64.604 62.300 -0.020 0.000 1.049 784 V CB -1.404 30.405 31.823 -0.023 0.000 0.662 784 V HN 0.693 nan 8.190 nan 0.000 0.455 785 N N 0.917 119.605 118.700 -0.020 0.000 2.430 785 N HA -0.224 4.512 4.740 -0.006 0.000 0.186 785 N C 1.592 177.091 175.510 -0.019 0.000 1.032 785 N CA 1.175 54.213 53.050 -0.019 0.000 0.893 785 N CB -0.490 37.987 38.487 -0.016 0.000 0.957 785 N HN 0.323 nan 8.380 nan 0.000 0.442 786 R N -0.121 120.368 120.500 -0.018 0.000 2.193 786 R HA 0.169 4.505 4.340 -0.006 0.000 0.213 786 R C 0.115 176.400 176.300 -0.024 0.000 1.055 786 R CA 0.213 56.303 56.100 -0.016 0.000 0.995 786 R CB -0.030 30.265 30.300 -0.009 0.000 0.893 786 R HN 0.299 nan 8.270 nan 0.000 0.459 787 I N 1.942 122.493 120.570 -0.031 0.000 2.362 787 I HA 0.218 4.385 4.170 -0.006 0.000 0.289 787 I C -0.491 175.591 176.117 -0.059 0.000 0.994 787 I CA -1.526 59.749 61.300 -0.042 0.000 1.158 787 I CB 1.443 39.422 38.000 -0.036 0.000 1.315 787 I HN -0.141 nan 8.210 nan 0.000 0.451 788 L N 8.706 129.879 121.223 -0.082 0.000 2.305 788 L HA 0.593 4.929 4.340 -0.006 0.000 0.284 788 L C -0.756 176.021 176.870 -0.155 0.000 1.013 788 L CA -0.360 54.416 54.840 -0.107 0.000 0.819 788 L CB 1.659 43.652 42.059 -0.111 0.000 1.227 788 L HN 0.269 nan 8.230 nan 0.000 0.417 789 V N 5.917 125.747 119.914 -0.141 0.000 2.448 789 V HA 0.628 4.744 4.120 -0.006 0.000 0.295 789 V C -0.077 175.923 176.094 -0.158 0.000 1.025 789 V CA -0.652 61.553 62.300 -0.159 0.000 0.859 789 V CB 1.651 33.408 31.823 -0.110 0.000 0.988 789 V HN 0.715 nan 8.190 nan 0.000 0.431 790 R N 3.025 123.405 120.500 -0.200 0.000 2.599 790 R HA 0.830 5.167 4.340 -0.006 0.000 0.295 790 R C -1.649 174.637 176.300 -0.024 0.000 0.963 790 R CA -0.702 55.324 56.100 -0.123 0.000 0.883 790 R CB 2.540 32.739 30.300 -0.168 0.000 1.171 790 R HN 0.499 nan 8.270 nan 0.000 0.450 791 V N 3.429 123.339 119.914 -0.008 0.000 2.462 791 V HA 0.140 4.257 4.120 -0.006 0.000 0.288 791 V C 0.441 176.539 176.094 0.007 0.000 1.020 791 V CA -0.661 61.642 62.300 0.005 0.000 0.857 791 V CB 1.490 33.293 31.823 -0.034 0.000 1.013 791 V HN 0.764 nan 8.190 nan 0.000 0.431 792 K N 4.372 124.786 120.400 0.023 0.000 2.067 792 K HA 0.215 4.532 4.320 -0.006 0.000 0.203 792 K C 0.737 177.327 176.600 -0.015 0.000 1.048 792 K CA 1.066 57.354 56.287 0.001 0.000 0.954 792 K CB 0.353 32.843 32.500 -0.016 0.000 0.737 792 K HN 0.786 nan 8.250 nan 0.000 0.444 793 R N -1.239 119.233 120.500 -0.046 0.000 2.690 793 R HA 0.358 4.694 4.340 -0.006 0.000 0.269 793 R C -1.470 174.825 176.300 -0.009 0.000 1.037 793 R CA -0.864 55.200 56.100 -0.060 0.000 0.877 793 R CB 0.724 30.944 30.300 -0.134 0.000 1.255 793 R HN -0.075 nan 8.270 nan 0.000 0.467 794 M N 0.756 120.357 119.600 0.002 0.000 2.456 794 M HA 0.395 4.872 4.480 -0.006 0.000 0.324 794 M C 0.636 177.011 176.300 0.124 0.000 1.124 794 M CA -0.674 54.641 55.300 0.025 0.000 0.959 794 M CB 2.372 34.902 32.600 -0.116 0.000 1.692 794 M HN 0.934 nan 8.290 nan 0.000 0.444 795 G N 1.731 110.616 108.800 0.143 0.000 3.284 795 G HA2 0.473 4.430 3.960 -0.006 0.000 0.251 795 G HA3 0.473 4.430 3.960 -0.006 0.000 0.251 795 G C 0.383 175.271 174.900 -0.021 0.000 0.913 795 G CA 0.313 45.419 45.100 0.011 0.000 1.947 795 G HN 1.105 nan 8.290 nan 0.000 0.635 796 G N -1.469 107.265 108.800 -0.110 0.000 2.784 796 G HA2 0.365 4.321 3.960 -0.006 0.000 0.686 796 G HA3 0.365 4.321 3.960 -0.006 0.000 0.686 796 G C 0.498 175.191 174.900 -0.344 0.000 1.156 796 G CA -0.342 44.571 45.100 -0.312 0.000 0.757 796 G HN 1.135 nan 8.290 nan 0.000 0.642 797 G N -0.550 107.908 108.800 -0.570 0.000 2.645 797 G HA2 0.537 4.494 3.960 -0.006 0.000 0.210 797 G HA3 0.537 4.494 3.960 -0.006 0.000 0.210 797 G C 0.916 175.773 174.900 -0.072 0.000 1.304 797 G CA 0.871 45.800 45.100 -0.284 0.000 0.556 797 G HN 1.685 nan 8.290 nan 0.000 1.003 798 F N 0.635 120.595 119.950 0.016 0.000 3.048 798 F HA -0.214 4.310 4.527 -0.005 0.000 0.287 798 F C 1.934 177.733 175.800 -0.002 0.000 0.796 798 F CA 1.010 59.016 58.000 0.010 0.000 1.111 798 F CB -1.384 37.594 39.000 -0.037 0.000 1.320 798 F HN 1.068 nan 8.300 nan 0.000 0.430 799 G N -1.190 107.662 108.800 0.087 0.000 2.278 799 G HA2 -0.130 3.827 3.960 -0.006 0.000 0.210 799 G HA3 -0.130 3.827 3.960 -0.006 0.000 0.210 799 G C 1.014 175.919 174.900 0.009 0.000 1.000 799 G CA -0.092 45.087 45.100 0.132 0.000 0.635 799 G HN 1.128 nan 8.290 nan 0.000 0.495 800 G N 0.046 108.605 108.800 -0.403 0.000 2.848 800 G HA2 0.287 4.244 3.960 -0.006 0.000 0.208 800 G HA3 0.287 4.244 3.960 -0.006 0.000 0.208 800 G C 1.094 175.962 174.900 -0.053 0.000 1.152 800 G CA 1.224 45.985 45.100 -0.565 0.000 0.789 800 G HN 0.482 nan 8.290 nan 0.000 0.531 801 K N -0.146 120.195 120.400 -0.098 0.000 2.455 801 K HA 0.202 4.519 4.320 -0.006 0.000 0.206 801 K C 1.484 178.084 176.600 0.000 0.000 1.027 801 K CA -0.136 56.114 56.287 -0.061 0.000 1.113 801 K CB 0.674 33.003 32.500 -0.284 0.000 0.850 801 K HN 0.314 nan 8.250 nan 0.000 0.503 802 E N 0.415 120.642 120.200 0.045 0.000 2.112 802 E HA -0.120 4.226 4.350 -0.006 0.000 0.190 802 E C 1.196 177.843 176.600 0.080 0.000 0.979 802 E CA 1.724 58.168 56.400 0.073 0.000 0.814 802 E CB 0.462 30.239 29.700 0.128 0.000 0.762 802 E HN 0.298 nan 8.360 nan 0.000 0.460 803 T N -3.168 111.455 114.554 0.115 0.000 3.098 803 T HA 0.195 4.542 4.350 -0.006 0.000 0.256 803 T C 1.520 176.295 174.700 0.124 0.000 0.921 803 T CA -0.605 61.564 62.100 0.116 0.000 0.916 803 T CB -0.034 68.936 68.868 0.170 0.000 1.246 803 T HN -0.081 nan 8.240 nan 0.000 0.511 804 R N 2.479 123.054 120.500 0.125 0.000 2.299 804 R HA 0.251 4.587 4.340 -0.006 0.000 0.197 804 R C 2.534 178.782 176.300 -0.087 0.000 0.971 804 R CA 0.976 57.105 56.100 0.050 0.000 1.030 804 R CB -0.849 29.483 30.300 0.053 0.000 0.932 804 R HN 0.704 nan 8.270 nan 0.000 0.477 805 S N 0.743 116.477 115.700 0.057 0.000 2.440 805 S HA -0.164 4.303 4.470 -0.006 0.000 0.238 805 S C 1.931 176.558 174.600 0.044 0.000 1.010 805 S CA 1.697 59.971 58.200 0.123 0.000 0.972 805 S CB -0.602 62.721 63.200 0.204 0.000 0.774 805 S HN 0.449 nan 8.310 nan 0.000 0.501 806 T N 0.526 115.112 114.554 0.052 0.000 2.995 806 T HA 0.184 4.531 4.350 -0.006 0.000 0.269 806 T C 1.759 176.485 174.700 0.044 0.000 1.091 806 T CA 0.656 62.805 62.100 0.083 0.000 1.128 806 T CB -0.708 68.291 68.868 0.218 0.000 0.891 806 T HN 0.398 nan 8.240 nan 0.000 0.492 807 L N 0.660 121.883 121.223 -0.000 0.000 2.042 807 L HA -0.065 4.272 4.340 -0.006 0.000 0.210 807 L C 2.843 179.691 176.870 -0.037 0.000 1.076 807 L CA 1.108 55.928 54.840 -0.034 0.000 0.749 807 L CB -0.685 41.350 42.059 -0.040 0.000 0.893 807 L HN 0.227 nan 8.230 nan 0.000 0.432 808 V N -1.438 118.459 119.914 -0.028 0.000 2.407 808 V HA -0.171 3.946 4.120 -0.006 0.000 0.245 808 V C 2.535 178.643 176.094 0.022 0.000 1.041 808 V CA 1.591 63.899 62.300 0.013 0.000 1.040 808 V CB 0.003 31.851 31.823 0.042 0.000 0.671 808 V HN 0.312 nan 8.190 nan 0.000 0.455 809 S N 0.247 115.962 115.700 0.025 0.000 2.348 809 S HA -0.166 4.300 4.470 -0.006 0.000 0.221 809 S C 2.065 176.672 174.600 0.011 0.000 1.033 809 S CA 1.616 59.833 58.200 0.028 0.000 1.010 809 S CB -0.226 62.991 63.200 0.028 0.000 0.891 809 S HN 0.368 nan 8.310 nan 0.000 0.442 810 V N 2.125 122.036 119.914 -0.005 0.000 2.287 810 V HA -0.217 3.900 4.120 -0.006 0.000 0.248 810 V C 2.635 178.676 176.094 -0.089 0.000 1.053 810 V CA 1.766 64.038 62.300 -0.046 0.000 1.027 810 V CB -1.266 30.516 31.823 -0.067 0.000 0.646 810 V HN 0.543 nan 8.190 nan 0.000 0.447 811 A N -0.342 122.414 122.820 -0.107 0.000 1.933 811 A HA -0.143 4.173 4.320 -0.006 0.000 0.218 811 A C 2.379 179.992 177.584 0.048 0.000 1.175 811 A CA 1.997 54.000 52.037 -0.057 0.000 0.628 811 A CB -0.608 18.397 19.000 0.009 0.000 0.814 811 A HN 0.352 nan 8.150 nan 0.000 0.444 812 V N -0.270 119.670 119.914 0.042 0.000 2.358 812 V HA -0.203 3.913 4.120 -0.006 0.000 0.246 812 V C 3.041 179.167 176.094 0.053 0.000 1.047 812 V CA 1.724 64.058 62.300 0.056 0.000 1.035 812 V CB -1.169 30.688 31.823 0.056 0.000 0.658 812 V HN 0.608 nan 8.190 nan 0.000 0.452 813 A N -0.048 122.795 122.820 0.038 0.000 1.908 813 A HA -0.234 4.082 4.320 -0.006 0.000 0.218 813 A C 2.180 179.809 177.584 0.075 0.000 1.181 813 A CA 2.238 54.301 52.037 0.043 0.000 0.627 813 A CB -0.593 18.416 19.000 0.016 0.000 0.818 813 A HN 0.463 nan 8.150 nan 0.000 0.445 814 L N -0.385 120.875 121.223 0.061 0.000 2.046 814 L HA -0.041 4.296 4.340 -0.006 0.000 0.208 814 L C 2.697 179.665 176.870 0.164 0.000 1.077 814 L CA 2.100 57.004 54.840 0.107 0.000 0.747 814 L CB -0.714 41.398 42.059 0.089 0.000 0.896 814 L HN 0.348 nan 8.230 nan 0.000 0.432 815 A N -0.340 122.550 122.820 0.117 0.000 1.883 815 A HA -0.182 4.134 4.320 -0.006 0.000 0.217 815 A C 2.473 180.103 177.584 0.078 0.000 1.186 815 A CA 2.080 54.169 52.037 0.088 0.000 0.624 815 A CB -1.287 17.752 19.000 0.065 0.000 0.822 815 A HN 0.584 nan 8.150 nan 0.000 0.444 816 A N -1.357 121.509 122.820 0.076 0.000 1.883 816 A HA -0.153 4.164 4.320 -0.006 0.000 0.217 816 A C 2.156 179.770 177.584 0.050 0.000 1.186 816 A CA 1.795 53.864 52.037 0.054 0.000 0.624 816 A CB -0.975 18.056 19.000 0.052 0.000 0.822 816 A HN 0.847 nan 8.150 nan 0.000 0.444 817 Y N 0.397 120.689 120.300 -0.014 0.000 2.114 817 Y HA -0.236 4.310 4.550 -0.006 0.000 0.282 817 Y C 2.330 178.215 175.900 -0.024 0.000 1.165 817 Y CA 2.554 60.641 58.100 -0.021 0.000 1.148 817 Y CB -0.056 38.397 38.460 -0.012 0.000 0.972 817 Y HN 0.227 nan 8.280 nan 0.000 0.504 818 K N -0.580 119.821 120.400 0.001 0.000 2.262 818 K HA -0.051 4.266 4.320 -0.006 0.000 0.200 818 K C 1.825 178.358 176.600 -0.111 0.000 1.049 818 K CA 1.534 57.784 56.287 -0.063 0.000 0.979 818 K CB -0.095 32.481 32.500 0.127 0.000 0.773 818 K HN 0.572 nan 8.250 nan 0.000 0.474 819 T N -4.035 110.481 114.554 -0.064 0.000 3.037 819 T HA 0.167 4.514 4.350 -0.006 0.000 0.252 819 T C 1.429 176.025 174.700 -0.174 0.000 1.073 819 T CA 0.855 62.935 62.100 -0.033 0.000 1.091 819 T CB 0.347 69.276 68.868 0.102 0.000 0.935 819 T HN 0.281 nan 8.240 nan 0.000 0.488 820 G N 1.037 109.704 108.800 -0.223 0.000 2.205 820 G HA2 -0.240 3.717 3.960 -0.006 0.000 0.261 820 G HA3 -0.240 3.717 3.960 -0.006 0.000 0.261 820 G C -0.044 174.632 174.900 -0.374 0.000 0.980 820 G CA 0.378 45.285 45.100 -0.322 0.000 0.632 820 G HN 0.790 nan 8.290 nan 0.000 0.533 821 H N 1.075 120.100 119.070 -0.075 0.000 2.525 821 H HA 0.522 5.075 4.556 -0.006 0.000 0.340 821 H C -2.314 172.974 175.328 -0.067 0.000 1.168 821 H CA -1.866 54.138 56.048 -0.073 0.000 1.247 821 H CB 1.289 31.019 29.762 -0.054 0.000 1.568 821 H HN 0.070 nan 8.280 nan 0.000 0.536 822 P HA -0.016 nan 4.420 nan 0.000 0.265 822 P C -0.944 176.363 177.300 0.011 0.000 1.193 822 P CA 0.250 63.378 63.100 0.047 0.000 0.765 822 P CB 0.594 32.358 31.700 0.106 0.000 0.823 823 V N 4.291 124.202 119.914 -0.006 0.000 2.789 823 V HA 0.616 4.733 4.120 -0.006 0.000 0.311 823 V C 0.165 176.220 176.094 -0.065 0.000 1.073 823 V CA -0.660 61.597 62.300 -0.071 0.000 0.921 823 V CB 2.123 33.938 31.823 -0.012 0.000 1.009 823 V HN 0.570 nan 8.190 nan 0.000 0.426 824 R N 2.073 122.479 120.500 -0.156 0.000 2.837 824 R HA 0.916 5.253 4.340 -0.006 0.000 0.271 824 R C -1.377 174.949 176.300 0.044 0.000 0.993 824 R CA -0.620 55.449 56.100 -0.051 0.000 0.931 824 R CB 1.869 32.123 30.300 -0.075 0.000 1.206 824 R HN 0.685 nan 8.270 nan 0.000 0.474 825 C N 3.228 122.586 119.300 0.098 0.000 2.551 825 C HA 0.561 5.018 4.460 -0.006 0.000 0.332 825 C C -0.786 174.280 174.990 0.127 0.000 1.139 825 C CA -0.653 58.449 59.018 0.139 0.000 1.328 825 C CB 1.219 29.030 27.740 0.119 0.000 1.903 825 C HN 1.001 nan 8.230 nan 0.000 0.459 826 M N 6.781 126.464 119.600 0.137 0.000 2.149 826 M HA 0.512 4.989 4.480 -0.006 0.000 0.342 826 M C -0.909 175.452 176.300 0.101 0.000 1.068 826 M CA -0.496 54.866 55.300 0.105 0.000 0.991 826 M CB 0.893 33.545 32.600 0.086 0.000 1.596 826 M HN 0.691 nan 8.290 nan 0.000 0.439 827 L N 4.251 125.536 121.223 0.104 0.000 2.453 827 L HA 0.099 4.435 4.340 -0.006 0.000 0.272 827 L C 0.307 177.224 176.870 0.078 0.000 1.182 827 L CA -0.058 54.844 54.840 0.103 0.000 0.858 827 L CB 0.122 42.260 42.059 0.131 0.000 1.120 827 L HN 0.640 nan 8.230 nan 0.000 0.474 828 D N 1.583 122.025 120.400 0.069 0.000 2.339 828 D HA 0.029 4.666 4.640 -0.006 0.000 0.245 828 D C 0.984 177.309 176.300 0.040 0.000 1.115 828 D CA -0.220 53.808 54.000 0.047 0.000 0.917 828 D CB 1.207 42.035 40.800 0.045 0.000 1.192 828 D HN 0.350 nan 8.370 nan 0.000 0.428 829 R N 1.669 122.175 120.500 0.010 0.000 2.103 829 R HA -0.201 4.135 4.340 -0.006 0.000 0.242 829 R C 1.747 178.048 176.300 0.002 0.000 1.142 829 R CA 1.796 57.879 56.100 -0.029 0.000 0.960 829 R CB -0.134 30.131 30.300 -0.060 0.000 0.858 829 R HN 0.521 nan 8.270 nan 0.000 0.439 830 N N 0.257 118.974 118.700 0.028 0.000 2.244 830 N HA -0.176 4.561 4.740 -0.006 0.000 0.183 830 N C 1.068 176.606 175.510 0.046 0.000 1.016 830 N CA 1.706 54.778 53.050 0.037 0.000 0.866 830 N CB -0.313 38.200 38.487 0.044 0.000 0.980 830 N HN 0.456 nan 8.380 nan 0.000 0.430 831 E N 0.412 120.649 120.200 0.060 0.000 2.047 831 E HA -0.145 4.201 4.350 -0.006 0.000 0.191 831 E C 1.397 178.048 176.600 0.085 0.000 0.987 831 E CA 0.879 57.326 56.400 0.078 0.000 0.799 831 E CB -0.131 29.622 29.700 0.088 0.000 0.752 831 E HN 0.402 nan 8.360 nan 0.000 0.449 832 D N 0.738 121.194 120.400 0.094 0.000 2.123 832 D HA -0.175 4.462 4.640 -0.006 0.000 0.196 832 D C 1.977 178.350 176.300 0.122 0.000 0.992 832 D CA 1.232 55.321 54.000 0.149 0.000 0.833 832 D CB 0.097 41.010 40.800 0.190 0.000 0.954 832 D HN 0.172 nan 8.370 nan 0.000 0.455 833 M N -0.258 119.372 119.600 0.049 0.000 2.236 833 M HA -0.097 4.380 4.480 -0.006 0.000 0.266 833 M C 2.330 178.646 176.300 0.026 0.000 1.070 833 M CA 0.372 55.676 55.300 0.006 0.000 1.137 833 M CB -0.109 32.452 32.600 -0.065 0.000 1.378 833 M HN 0.021 nan 8.290 nan 0.000 0.426 834 L N 0.865 122.112 121.223 0.040 0.000 2.046 834 L HA -0.131 4.205 4.340 -0.006 0.000 0.208 834 L C 1.956 178.878 176.870 0.086 0.000 1.077 834 L CA 1.963 56.839 54.840 0.059 0.000 0.747 834 L CB -0.224 41.873 42.059 0.064 0.000 0.896 834 L HN 0.226 nan 8.230 nan 0.000 0.432 835 I N -1.899 118.724 120.570 0.089 0.000 3.039 835 I HA -0.059 4.107 4.170 -0.006 0.000 0.270 835 I C 1.775 177.941 176.117 0.083 0.000 1.150 835 I CA 1.061 62.415 61.300 0.091 0.000 1.448 835 I CB -0.227 37.822 38.000 0.081 0.000 1.197 835 I HN 0.350 nan 8.210 nan 0.000 0.450 836 T N -1.256 113.353 114.554 0.091 0.000 3.086 836 T HA 0.430 4.777 4.350 -0.006 0.000 0.250 836 T C 0.902 175.704 174.700 0.170 0.000 1.074 836 T CA 0.239 62.388 62.100 0.081 0.000 0.988 836 T CB -0.085 68.804 68.868 0.036 0.000 0.988 836 T HN 0.485 nan 8.240 nan 0.000 0.530 837 G N -0.771 108.128 108.800 0.166 0.000 2.758 837 G HA2 0.365 4.322 3.960 -0.006 0.000 0.686 837 G HA3 0.365 4.322 3.960 -0.006 0.000 0.686 837 G C -0.105 174.942 174.900 0.245 0.000 1.389 837 G CA -0.567 44.638 45.100 0.176 0.000 0.845 837 G HN 1.202 nan 8.290 nan 0.000 0.572 838 G N -0.716 108.180 108.800 0.161 0.000 2.911 838 G HA2 0.811 4.768 3.960 -0.006 0.000 0.299 838 G HA3 0.811 4.768 3.960 -0.006 0.000 0.299 838 G C -0.085 174.900 174.900 0.143 0.000 1.283 838 G CA 0.072 45.236 45.100 0.106 0.000 0.805 838 G HN 1.020 nan 8.290 nan 0.000 0.548 839 R N 0.038 120.638 120.500 0.167 0.000 2.594 839 R HA 0.171 4.508 4.340 -0.006 0.000 0.272 839 R C -0.389 175.935 176.300 0.039 0.000 1.074 839 R CA -0.402 55.777 56.100 0.132 0.000 1.105 839 R CB 0.099 30.289 30.300 -0.182 0.000 1.008 839 R HN 0.574 nan 8.270 nan 0.000 0.472 840 H N 4.528 123.677 119.070 0.132 0.000 2.975 840 H HA 0.083 4.636 4.556 -0.006 0.000 0.303 840 H C -1.919 173.509 175.328 0.167 0.000 1.023 840 H CA -1.309 54.828 56.048 0.148 0.000 1.473 840 H CB 0.739 30.617 29.762 0.194 0.000 1.498 840 H HN 0.450 nan 8.280 nan 0.000 0.549 841 P HA 0.036 nan 4.420 nan 0.000 0.268 841 P C -0.636 176.752 177.300 0.147 0.000 1.205 841 P CA 0.417 63.556 63.100 0.066 0.000 0.771 841 P CB 0.319 32.070 31.700 0.085 0.000 0.858 842 F N 2.124 121.999 119.950 -0.126 0.000 2.507 842 F HA 0.400 4.923 4.527 -0.006 0.000 0.325 842 F C -0.109 175.735 175.800 0.072 0.000 1.116 842 F CA -1.009 57.019 58.000 0.046 0.000 0.930 842 F CB 1.559 40.617 39.000 0.096 0.000 1.146 842 F HN 0.087 nan 8.300 nan 0.000 0.447 843 L N 4.197 125.641 121.223 0.367 0.000 2.282 843 L HA 0.790 5.126 4.340 -0.006 0.000 0.288 843 L C -0.533 176.613 176.870 0.460 0.000 1.033 843 L CA -0.277 54.822 54.840 0.431 0.000 0.807 843 L CB 0.851 43.130 42.059 0.367 0.000 1.209 843 L HN 0.623 nan 8.230 nan 0.000 0.423 844 A N 5.618 128.677 122.820 0.399 0.000 2.340 844 A HA 0.858 5.174 4.320 -0.006 0.000 0.331 844 A C -0.573 177.216 177.584 0.341 0.000 1.140 844 A CA -0.729 51.503 52.037 0.325 0.000 0.801 844 A CB 0.900 20.030 19.000 0.216 0.000 1.234 844 A HN 0.728 nan 8.150 nan 0.000 0.469 845 R N 1.035 121.707 120.500 0.287 0.000 2.360 845 R HA 0.523 4.860 4.340 -0.006 0.000 0.318 845 R C -1.380 175.036 176.300 0.195 0.000 0.950 845 R CA -0.314 55.913 56.100 0.212 0.000 0.837 845 R CB 1.345 31.746 30.300 0.168 0.000 1.165 845 R HN 0.808 nan 8.270 nan 0.000 0.458 846 Y N -0.636 119.699 120.300 0.058 0.000 2.598 846 Y HA 0.707 5.253 4.550 -0.006 0.000 0.340 846 Y C -0.698 175.208 175.900 0.010 0.000 1.038 846 Y CA -1.342 56.774 58.100 0.027 0.000 1.100 846 Y CB 1.900 40.407 38.460 0.079 0.000 1.281 846 Y HN 0.255 nan 8.280 nan 0.000 0.488 847 K N 2.320 122.762 120.400 0.070 0.000 2.651 847 K HA 0.518 4.834 4.320 -0.006 0.000 0.259 847 K C -2.149 174.536 176.600 0.141 0.000 1.017 847 K CA -0.588 55.712 56.287 0.022 0.000 0.897 847 K CB 1.878 34.343 32.500 -0.059 0.000 1.262 847 K HN 0.755 nan 8.250 nan 0.000 0.460 848 V N 0.436 120.436 119.914 0.143 0.000 2.630 848 V HA 0.863 4.979 4.120 -0.006 0.000 0.305 848 V C 0.366 176.724 176.094 0.440 0.000 1.046 848 V CA -0.894 61.472 62.300 0.110 0.000 0.934 848 V CB 1.704 33.442 31.823 -0.141 0.000 1.003 848 V HN 0.775 nan 8.190 nan 0.000 0.451 849 G N 2.807 111.846 108.800 0.399 0.000 2.626 849 G HA2 0.801 4.758 3.960 -0.006 0.000 0.304 849 G HA3 0.801 4.758 3.960 -0.006 0.000 0.304 849 G C -1.237 173.833 174.900 0.284 0.000 1.385 849 G CA -0.543 44.780 45.100 0.371 0.000 0.957 849 G HN 0.987 nan 8.290 nan 0.000 0.504 850 F N 0.577 120.526 119.950 -0.003 0.000 2.645 850 F HA 0.746 5.269 4.527 -0.006 0.000 0.310 850 F C -0.380 175.411 175.800 -0.015 0.000 1.102 850 F CA -1.878 56.103 58.000 -0.032 0.000 0.952 850 F CB 1.354 40.339 39.000 -0.026 0.000 1.326 850 F HN 0.215 nan 8.300 nan 0.000 0.456 851 M N 1.558 121.213 119.600 0.093 0.000 2.163 851 M HA 0.290 4.767 4.480 -0.006 0.000 0.305 851 M C 1.035 177.368 176.300 0.055 0.000 1.166 851 M CA -0.186 55.121 55.300 0.012 0.000 1.132 851 M CB 0.896 33.508 32.600 0.021 0.000 1.413 851 M HN 0.851 nan 8.290 nan 0.000 0.478 852 K N 0.198 120.604 120.400 0.011 0.000 2.209 852 K HA -0.105 4.212 4.320 -0.006 0.000 0.204 852 K C 1.615 178.261 176.600 0.076 0.000 1.048 852 K CA 1.698 58.007 56.287 0.038 0.000 0.940 852 K CB -0.235 32.270 32.500 0.008 0.000 0.729 852 K HN 0.862 nan 8.250 nan 0.000 0.451 853 T N -2.920 111.673 114.554 0.064 0.000 3.035 853 T HA 0.049 4.396 4.350 -0.006 0.000 0.268 853 T C 1.487 176.235 174.700 0.081 0.000 1.109 853 T CA 0.778 62.916 62.100 0.062 0.000 1.119 853 T CB 0.070 68.960 68.868 0.036 0.000 0.900 853 T HN 0.345 nan 8.240 nan 0.000 0.503 854 G N 0.611 109.490 108.800 0.132 0.000 2.175 854 G HA2 -0.232 3.724 3.960 -0.006 0.000 0.244 854 G HA3 -0.232 3.724 3.960 -0.006 0.000 0.244 854 G C 0.200 175.135 174.900 0.059 0.000 0.982 854 G CA 0.051 45.228 45.100 0.127 0.000 0.641 854 G HN 0.665 nan 8.290 nan 0.000 0.527 855 T N 1.405 115.987 114.554 0.048 0.000 2.853 855 T HA 0.464 4.810 4.350 -0.006 0.000 0.298 855 T C 0.770 175.490 174.700 0.034 0.000 0.978 855 T CA 0.224 62.322 62.100 -0.002 0.000 1.152 855 T CB 0.800 69.654 68.868 -0.023 0.000 0.914 855 T HN 0.280 nan 8.240 nan 0.000 0.539 856 I N 4.106 124.664 120.570 -0.020 0.000 2.474 856 I HA 0.117 4.284 4.170 -0.006 0.000 0.287 856 I C 1.060 177.133 176.117 -0.074 0.000 1.048 856 I CA 0.422 61.704 61.300 -0.029 0.000 1.383 856 I CB 1.402 39.337 38.000 -0.110 0.000 1.412 856 I HN 0.455 nan 8.210 nan 0.000 0.531 857 V N 4.657 124.518 119.914 -0.089 0.000 3.250 857 V HA 0.471 4.588 4.120 -0.006 0.000 0.240 857 V C 0.517 176.453 176.094 -0.263 0.000 1.275 857 V CA 0.648 62.864 62.300 -0.139 0.000 1.206 857 V CB 0.471 32.237 31.823 -0.095 0.000 0.976 857 V HN 0.789 nan 8.190 nan 0.000 0.467 858 A N 0.262 122.845 122.820 -0.394 0.000 2.435 858 A HA 0.947 5.263 4.320 -0.006 0.000 0.296 858 A C -1.747 175.494 177.584 -0.571 0.000 1.147 858 A CA -0.549 51.054 52.037 -0.724 0.000 0.775 858 A CB 2.351 20.334 19.000 -1.695 0.000 1.340 858 A HN 0.360 nan 8.150 nan 0.000 0.427 859 L N -0.165 120.747 121.223 -0.517 0.000 2.705 859 L HA 0.607 4.944 4.340 -0.006 0.000 0.260 859 L C -1.105 175.691 176.870 -0.123 0.000 0.921 859 L CA 0.048 54.692 54.840 -0.327 0.000 0.948 859 L CB 1.920 43.695 42.059 -0.473 0.000 1.427 859 L HN 0.912 nan 8.230 nan 0.000 0.432 860 E N 4.238 124.466 120.200 0.046 0.000 2.246 860 E HA 0.760 5.107 4.350 -0.006 0.000 0.266 860 E C -2.013 174.624 176.600 0.062 0.000 0.880 860 E CA -0.752 55.699 56.400 0.086 0.000 0.762 860 E CB 2.161 31.979 29.700 0.196 0.000 1.180 860 E HN 0.499 nan 8.360 nan 0.000 0.416 861 V N 3.656 123.600 119.914 0.049 0.000 2.525 861 V HA 0.311 4.428 4.120 -0.006 0.000 0.299 861 V C -1.061 174.996 176.094 -0.061 0.000 1.034 861 V CA -1.044 61.252 62.300 -0.007 0.000 0.863 861 V CB 1.819 33.593 31.823 -0.080 0.000 0.999 861 V HN 0.721 nan 8.190 nan 0.000 0.423 862 D N 2.763 123.133 120.400 -0.050 0.000 2.317 862 D HA 0.439 5.076 4.640 -0.006 0.000 0.234 862 D C -0.411 175.813 176.300 -0.126 0.000 1.112 862 D CA -0.173 53.788 54.000 -0.065 0.000 0.840 862 D CB 0.966 41.781 40.800 0.024 0.000 1.078 862 D HN 0.605 nan 8.370 nan 0.000 0.486 863 H N 1.331 120.342 119.070 -0.097 0.000 2.489 863 H HA 0.359 4.912 4.556 -0.005 0.000 0.322 863 H C -0.679 174.453 175.328 -0.327 0.000 1.091 863 H CA -0.345 55.716 56.048 0.023 0.000 1.291 863 H CB 0.631 30.524 29.762 0.218 0.000 1.436 863 H HN 0.294 nan 8.280 nan 0.000 0.480 864 Y N 0.653 121.017 120.300 0.106 0.000 2.331 864 Y HA 0.305 4.851 4.550 -0.006 0.000 0.334 864 Y C 0.123 175.825 175.900 -0.329 0.000 0.960 864 Y CA -0.987 57.087 58.100 -0.044 0.000 1.130 864 Y CB 1.642 40.144 38.460 0.070 0.000 1.164 864 Y HN 0.637 nan 8.280 nan 0.000 0.458 865 S N 2.186 117.648 115.700 -0.396 0.000 2.541 865 S HA 0.326 4.793 4.470 -0.006 0.000 0.283 865 S C -0.386 174.180 174.600 -0.057 0.000 1.196 865 S CA -0.864 57.011 58.200 -0.543 0.000 1.062 865 S CB 1.072 63.879 63.200 -0.656 0.000 1.009 865 S HN 0.649 nan 8.310 nan 0.000 0.502 866 N N 1.953 120.680 118.700 0.045 0.000 2.439 866 N HA 0.374 5.111 4.740 -0.006 0.000 0.243 866 N C 0.777 176.379 175.510 0.154 0.000 1.088 866 N CA -0.084 53.021 53.050 0.092 0.000 0.940 866 N CB 1.066 39.593 38.487 0.066 0.000 1.180 866 N HN 0.773 nan 8.380 nan 0.000 0.505 867 A N 2.650 125.591 122.820 0.202 0.000 1.935 867 A HA 0.393 4.710 4.320 -0.006 0.000 0.214 867 A C 1.165 178.862 177.584 0.188 0.000 1.178 867 A CA 1.214 53.444 52.037 0.322 0.000 0.640 867 A CB -0.761 18.511 19.000 0.452 0.000 0.825 867 A HN 0.885 nan 8.150 nan 0.000 0.447 868 G N 0.018 108.896 108.800 0.131 0.000 2.548 868 G HA2 -0.176 3.781 3.960 -0.006 0.000 0.208 868 G HA3 -0.176 3.781 3.960 -0.006 0.000 0.208 868 G C 0.034 175.023 174.900 0.149 0.000 1.308 868 G CA 0.221 45.363 45.100 0.069 0.000 0.924 868 G HN 1.069 nan 8.290 nan 0.000 0.540 869 N N 0.214 118.959 118.700 0.074 0.000 2.362 869 N HA 0.328 5.065 4.740 -0.006 0.000 0.204 869 N C 0.439 176.015 175.510 0.109 0.000 1.166 869 N CA 1.128 54.219 53.050 0.068 0.000 0.831 869 N CB 0.000 38.427 38.487 -0.101 0.000 1.008 869 N HN 1.816 nan 8.380 nan 0.000 0.472 870 S N -1.821 113.939 115.700 0.101 0.000 2.552 870 S HA 0.441 4.908 4.470 -0.006 0.000 0.272 870 S C 0.373 174.805 174.600 -0.279 0.000 1.150 870 S CA -0.921 57.236 58.200 -0.071 0.000 0.849 870 S CB 1.893 65.094 63.200 0.002 0.000 1.113 870 S HN -0.004 nan 8.310 nan 0.000 0.458 871 R N 1.009 121.209 120.500 -0.499 0.000 2.083 871 R HA -0.000 4.337 4.340 -0.006 0.000 0.237 871 R C 1.004 177.311 176.300 0.012 0.000 1.137 871 R CA 1.980 57.811 56.100 -0.448 0.000 0.951 871 R CB -0.803 29.249 30.300 -0.412 0.000 0.851 871 R HN 0.954 nan 8.270 nan 0.000 0.434 872 D N -1.433 119.088 120.400 0.202 0.000 3.424 872 D HA -0.300 4.337 4.640 -0.006 0.000 0.162 872 D C 0.100 176.649 176.300 0.415 0.000 1.055 872 D CA 2.364 56.547 54.000 0.304 0.000 1.016 872 D CB -0.691 40.251 40.800 0.238 0.000 0.500 872 D HN 0.128 nan 8.370 nan 0.000 0.501 873 L N 0.248 121.690 121.223 0.365 0.000 2.685 873 L HA 0.254 4.591 4.340 -0.006 0.000 0.233 873 L C 1.993 178.976 176.870 0.188 0.000 1.173 873 L CA -0.004 55.072 54.840 0.393 0.000 0.961 873 L CB 0.096 42.469 42.059 0.523 0.000 1.217 873 L HN 0.156 nan 8.230 nan 0.000 0.478 874 S N -0.332 115.450 115.700 0.137 0.000 2.359 874 S HA -0.286 4.180 4.470 -0.006 0.000 0.224 874 S C 1.931 176.462 174.600 -0.116 0.000 1.035 874 S CA 1.848 60.018 58.200 -0.049 0.000 1.018 874 S CB -0.264 62.996 63.200 0.100 0.000 0.876 874 S HN 0.625 nan 8.310 nan 0.000 0.448 875 H N 0.453 119.456 119.070 -0.112 0.000 2.387 875 H HA 0.049 4.602 4.556 -0.005 0.000 0.299 875 H C 2.360 177.633 175.328 -0.091 0.000 1.090 875 H CA 1.697 57.664 56.048 -0.134 0.000 1.332 875 H CB -0.243 29.407 29.762 -0.188 0.000 1.386 875 H HN 0.280 nan 8.280 nan 0.000 0.516 876 S N -0.883 114.913 115.700 0.161 0.000 2.406 876 S HA -0.032 4.435 4.470 -0.006 0.000 0.228 876 S C 2.050 176.705 174.600 0.091 0.000 1.020 876 S CA 0.926 59.279 58.200 0.255 0.000 0.965 876 S CB -0.197 63.299 63.200 0.493 0.000 0.798 876 S HN 0.445 nan 8.310 nan 0.000 0.488 877 I N 0.760 121.138 120.570 -0.321 0.000 2.252 877 I HA -0.155 4.012 4.170 -0.006 0.000 0.245 877 I C 2.435 178.433 176.117 -0.198 0.000 1.102 877 I CA 1.118 62.073 61.300 -0.576 0.000 1.385 877 I CB -0.249 37.288 38.000 -0.771 0.000 1.064 877 I HN 0.340 nan 8.210 nan 0.000 0.414 878 M N 0.773 120.250 119.600 -0.205 0.000 2.175 878 M HA -0.176 4.300 4.480 -0.006 0.000 0.264 878 M C 2.057 178.229 176.300 -0.213 0.000 1.063 878 M CA 1.811 57.007 55.300 -0.173 0.000 1.119 878 M CB -0.414 32.014 32.600 -0.286 0.000 1.377 878 M HN 0.119 nan 8.290 nan 0.000 0.415 879 E N -0.793 119.267 120.200 -0.234 0.000 2.077 879 E HA -0.259 4.088 4.350 -0.006 0.000 0.193 879 E C 2.178 178.675 176.600 -0.171 0.000 0.989 879 E CA 1.405 57.663 56.400 -0.237 0.000 0.800 879 E CB -0.340 29.334 29.700 -0.044 0.000 0.746 879 E HN 0.522 nan 8.360 nan 0.000 0.452 880 R N 0.845 121.432 120.500 0.145 0.000 2.092 880 R HA -0.115 4.222 4.340 -0.006 0.000 0.231 880 R C 2.242 178.682 176.300 0.234 0.000 1.119 880 R CA 1.146 57.464 56.100 0.363 0.000 0.970 880 R CB -0.173 30.349 30.300 0.370 0.000 0.864 880 R HN 0.136 nan 8.270 nan 0.000 0.440 881 A N 1.501 124.335 122.820 0.024 0.000 1.849 881 A HA -0.199 4.118 4.320 -0.006 0.000 0.217 881 A C 2.179 179.708 177.584 -0.092 0.000 1.202 881 A CA 1.719 53.701 52.037 -0.093 0.000 0.629 881 A CB -0.880 18.040 19.000 -0.134 0.000 0.834 881 A HN 0.368 nan 8.150 nan 0.000 0.447 882 L N -1.892 119.220 121.223 -0.185 0.000 2.127 882 L HA -0.175 4.162 4.340 -0.006 0.000 0.211 882 L C 2.402 179.314 176.870 0.069 0.000 1.089 882 L CA 1.205 55.969 54.840 -0.128 0.000 0.757 882 L CB -0.648 41.307 42.059 -0.173 0.000 0.899 882 L HN 0.429 nan 8.230 nan 0.000 0.434 883 F N -1.186 118.780 119.950 0.027 0.000 2.546 883 F HA -0.125 4.398 4.527 -0.006 0.000 0.298 883 F C 2.071 177.819 175.800 -0.086 0.000 1.120 883 F CA 0.488 58.370 58.000 -0.198 0.000 1.456 883 F CB -0.011 38.806 39.000 -0.305 0.000 1.088 883 F HN 0.229 nan 8.300 nan 0.000 0.572 884 H N -0.623 118.614 119.070 0.279 0.000 3.058 884 H HA 0.148 4.701 4.556 -0.006 0.000 0.266 884 H C 1.922 177.306 175.328 0.093 0.000 1.135 884 H CA 0.252 56.394 56.048 0.156 0.000 1.174 884 H CB 0.113 29.869 29.762 -0.010 0.000 1.581 884 H HN 0.387 nan 8.280 nan 0.000 0.553 885 M N 0.495 120.204 119.600 0.182 0.000 2.549 885 M HA -0.045 4.432 4.480 -0.006 0.000 0.260 885 M C 0.829 177.199 176.300 0.117 0.000 1.076 885 M CA 1.433 56.821 55.300 0.147 0.000 1.090 885 M CB -0.067 32.651 32.600 0.197 0.000 1.418 885 M HN -0.088 nan 8.290 nan 0.000 0.486 886 D N -0.811 119.613 120.400 0.041 0.000 2.354 886 D HA -0.009 4.628 4.640 -0.006 0.000 0.209 886 D C 0.882 177.217 176.300 0.060 0.000 1.015 886 D CA 0.306 54.367 54.000 0.101 0.000 0.867 886 D CB -0.527 40.356 40.800 0.137 0.000 0.933 886 D HN 0.505 nan 8.370 nan 0.000 0.520 887 N N 0.448 119.146 118.700 -0.004 0.000 1.154 887 N HA -0.313 4.424 4.740 -0.006 0.000 0.135 887 N C -0.303 175.114 175.510 -0.154 0.000 0.562 887 N CA 2.643 55.614 53.050 -0.133 0.000 0.947 887 N CB -1.204 37.115 38.487 -0.279 0.000 1.354 887 N HN 0.350 nan 8.380 nan 0.000 0.505 888 C N -0.010 118.924 119.300 -0.611 0.000 2.395 888 C HA 0.461 4.917 4.460 -0.006 0.000 0.315 888 C C -0.837 173.776 174.990 -0.628 0.000 1.399 888 C CA -0.504 58.310 59.018 -0.340 0.000 1.788 888 C CB -2.138 25.460 27.740 -0.237 0.000 2.564 888 C HN 0.335 nan 8.230 nan 0.000 0.552 889 Y N 0.186 120.275 120.300 -0.351 0.000 2.361 889 Y HA 0.394 4.941 4.550 -0.005 0.000 0.337 889 Y C 0.320 175.675 175.900 -0.907 0.000 0.965 889 Y CA -1.050 56.718 58.100 -0.553 0.000 1.091 889 Y CB 0.942 39.285 38.460 -0.194 0.000 1.182 889 Y HN -0.193 nan 8.280 nan 0.000 0.450 890 K N 4.163 124.060 120.400 -0.838 0.000 2.315 890 K HA 0.300 4.617 4.320 -0.006 0.000 0.291 890 K C -1.322 175.118 176.600 -0.267 0.000 1.074 890 K CA -0.087 55.812 56.287 -0.647 0.000 0.936 890 K CB -0.233 31.992 32.500 -0.459 0.000 1.049 890 K HN 0.661 nan 8.250 nan 0.000 0.471 891 I N 8.502 128.970 120.570 -0.168 0.000 2.390 891 I HA 0.226 4.393 4.170 -0.006 0.000 0.283 891 I C -1.535 174.524 176.117 -0.096 0.000 1.016 891 I CA -2.029 59.198 61.300 -0.122 0.000 1.151 891 I CB 1.824 39.757 38.000 -0.111 0.000 1.293 891 I HN 0.422 nan 8.210 nan 0.000 0.458 892 P HA -0.003 nan 4.420 nan 0.000 0.223 892 P C -0.511 176.739 177.300 -0.083 0.000 1.151 892 P CA 1.088 64.138 63.100 -0.083 0.000 0.787 892 P CB 0.202 31.849 31.700 -0.089 0.000 0.788 893 N N 0.103 118.726 118.700 -0.127 0.000 2.371 893 N HA 0.516 5.253 4.740 -0.006 0.000 0.291 893 N C -0.938 174.465 175.510 -0.179 0.000 1.053 893 N CA -0.376 52.587 53.050 -0.146 0.000 0.870 893 N CB 2.552 40.919 38.487 -0.201 0.000 1.503 893 N HN -0.059 nan 8.380 nan 0.000 0.485 894 I N 0.369 120.873 120.570 -0.109 0.000 2.750 894 I HA 0.250 4.416 4.170 -0.006 0.000 0.284 894 I C -1.784 174.336 176.117 0.004 0.000 1.498 894 I CA -0.399 60.856 61.300 -0.076 0.000 1.078 894 I CB 1.532 39.500 38.000 -0.053 0.000 1.423 894 I HN 0.440 nan 8.210 nan 0.000 0.423 895 R N 5.438 125.948 120.500 0.016 0.000 2.575 895 R HA 0.825 5.162 4.340 -0.006 0.000 0.293 895 R C -1.229 175.125 176.300 0.091 0.000 0.983 895 R CA -0.609 55.532 56.100 0.068 0.000 0.887 895 R CB 2.133 32.474 30.300 0.068 0.000 1.184 895 R HN 0.777 nan 8.270 nan 0.000 0.445 896 G N 1.561 110.442 108.800 0.134 0.000 2.591 896 G HA2 0.535 4.491 3.960 -0.006 0.000 0.306 896 G HA3 0.535 4.491 3.960 -0.006 0.000 0.306 896 G C -0.890 174.111 174.900 0.168 0.000 1.334 896 G CA -0.445 44.775 45.100 0.198 0.000 0.981 896 G HN 0.632 nan 8.290 nan 0.000 0.491 897 T N -1.526 113.137 114.554 0.182 0.000 2.838 897 T HA 0.890 5.237 4.350 -0.006 0.000 0.292 897 T C -0.113 174.631 174.700 0.072 0.000 1.113 897 T CA -0.519 61.623 62.100 0.070 0.000 1.008 897 T CB 2.214 71.076 68.868 -0.011 0.000 1.259 897 T HN 1.593 nan 8.240 nan 0.000 0.520 898 G N -0.032 108.708 108.800 -0.101 0.000 2.759 898 G HA2 0.615 4.571 3.960 -0.006 0.000 0.297 898 G HA3 0.615 4.571 3.960 -0.006 0.000 0.297 898 G C -1.809 172.909 174.900 -0.303 0.000 1.434 898 G CA -0.917 44.074 45.100 -0.182 0.000 0.980 898 G HN 0.710 nan 8.290 nan 0.000 0.531 899 R N 0.224 120.498 120.500 -0.376 0.000 2.744 899 R HA 0.709 5.046 4.340 -0.006 0.000 0.279 899 R C -0.859 175.377 176.300 -0.107 0.000 0.977 899 R CA -0.816 55.095 56.100 -0.316 0.000 0.906 899 R CB 1.659 31.658 30.300 -0.502 0.000 1.197 899 R HN 0.457 nan 8.270 nan 0.000 0.463 900 L N 2.731 123.965 121.223 0.018 0.000 2.287 900 L HA 0.575 4.912 4.340 -0.006 0.000 0.287 900 L C -0.593 176.427 176.870 0.249 0.000 1.022 900 L CA -1.008 53.901 54.840 0.115 0.000 0.814 900 L CB 1.696 43.847 42.059 0.153 0.000 1.217 900 L HN 0.500 nan 8.230 nan 0.000 0.420 901 C N 2.553 121.968 119.300 0.191 0.000 2.350 901 C HA 0.335 4.792 4.460 -0.006 0.000 0.348 901 C C 0.541 175.450 174.990 -0.134 0.000 1.260 901 C CA -0.746 58.312 59.018 0.066 0.000 1.966 901 C CB 1.027 28.804 27.740 0.062 0.000 2.380 901 C HN 0.735 nan 8.230 nan 0.000 0.535 902 K N 2.812 122.970 120.400 -0.403 0.000 2.316 902 K HA 0.519 4.835 4.320 -0.006 0.000 0.267 902 K C -0.251 176.159 176.600 -0.317 0.000 1.025 902 K CA 0.161 56.067 56.287 -0.634 0.000 0.896 902 K CB 0.697 32.506 32.500 -1.153 0.000 1.124 902 K HN 0.943 nan 8.250 nan 0.000 0.451 903 T N 0.017 114.467 114.554 -0.173 0.000 2.901 903 T HA 0.321 4.668 4.350 -0.006 0.000 0.293 903 T C -0.004 174.610 174.700 -0.144 0.000 1.084 903 T CA -1.049 60.957 62.100 -0.157 0.000 1.008 903 T CB 1.138 69.931 68.868 -0.125 0.000 1.170 903 T HN 0.451 nan 8.240 nan 0.000 0.509 904 N N 1.446 120.044 118.700 -0.169 0.000 3.091 904 N HA 0.292 5.029 4.740 -0.006 0.000 0.301 904 N C -0.762 174.676 175.510 -0.120 0.000 1.325 904 N CA 0.022 52.970 53.050 -0.171 0.000 1.143 904 N CB -0.395 37.978 38.487 -0.190 0.000 1.450 904 N HN 0.506 nan 8.380 nan 0.000 0.542 905 L N -0.107 121.053 121.223 -0.105 0.000 2.341 905 L HA 0.351 4.687 4.340 -0.006 0.000 0.267 905 L C 0.505 177.355 176.870 -0.033 0.000 1.009 905 L CA -0.856 53.935 54.840 -0.081 0.000 0.819 905 L CB 1.759 43.732 42.059 -0.143 0.000 1.323 905 L HN -0.036 nan 8.230 nan 0.000 0.425 906 S N 0.810 116.517 115.700 0.013 0.000 2.599 906 S HA -0.074 4.393 4.470 -0.006 0.000 0.303 906 S C 0.275 174.895 174.600 0.034 0.000 1.267 906 S CA -0.014 58.210 58.200 0.039 0.000 1.055 906 S CB 0.514 63.762 63.200 0.080 0.000 0.790 906 S HN 0.590 nan 8.310 nan 0.000 0.500 907 S N 2.935 118.662 115.700 0.046 0.000 2.537 907 S HA 0.066 4.533 4.470 -0.006 0.000 0.286 907 S C 0.241 174.875 174.600 0.056 0.000 1.299 907 S CA -0.575 57.662 58.200 0.063 0.000 1.067 907 S CB -0.151 63.097 63.200 0.081 0.000 0.864 907 S HN 0.613 nan 8.310 nan 0.000 0.494 908 N N 2.517 121.202 118.700 -0.025 0.000 2.493 908 N HA 0.461 5.198 4.740 -0.006 0.000 0.275 908 N C 0.147 175.702 175.510 0.075 0.000 1.186 908 N CA -0.172 52.780 53.050 -0.163 0.000 0.978 908 N CB 1.634 39.645 38.487 -0.792 0.000 1.184 908 N HN 0.686 nan 8.380 nan 0.000 0.487 909 T N -1.330 113.354 114.554 0.217 0.000 2.618 909 T HA 0.642 4.988 4.350 -0.006 0.000 0.293 909 T C -1.173 173.823 174.700 0.493 0.000 1.093 909 T CA -0.529 61.806 62.100 0.390 0.000 1.061 909 T CB 0.420 69.497 68.868 0.348 0.000 1.498 909 T HN 0.479 nan 8.240 nan 0.000 0.494 910 A N 1.002 124.154 122.820 0.554 0.000 2.498 910 A HA 0.566 4.882 4.320 -0.006 0.000 0.239 910 A C -0.692 177.314 177.584 0.704 0.000 1.068 910 A CA 0.181 52.644 52.037 0.710 0.000 0.766 910 A CB -0.686 18.723 19.000 0.681 0.000 1.003 910 A HN 0.718 nan 8.150 nan 0.000 0.497 911 F N 1.431 121.695 119.950 0.524 0.000 2.604 911 F HA 0.404 4.928 4.527 -0.005 0.000 0.316 911 F C 0.467 176.470 175.800 0.339 0.000 1.136 911 F CA -1.059 57.206 58.000 0.441 0.000 0.989 911 F CB 1.283 40.419 39.000 0.226 0.000 1.258 911 F HN 0.759 nan 8.300 nan 0.000 0.451 912 R N 3.813 124.750 120.500 0.728 0.000 3.853 912 R HA 0.092 4.429 4.340 -0.006 0.000 0.254 912 R C 0.782 177.267 176.300 0.309 0.000 0.565 912 R CA 1.993 58.363 56.100 0.450 0.000 1.000 912 R CB -0.688 29.883 30.300 0.452 0.000 0.943 912 R HN 1.093 nan 8.270 nan 0.000 0.331 913 G N 3.519 112.474 108.800 0.259 0.000 2.909 913 G HA2 -0.261 3.695 3.960 -0.006 0.000 0.198 913 G HA3 -0.261 3.695 3.960 -0.006 0.000 0.198 913 G C 0.202 175.384 174.900 0.470 0.000 1.124 913 G CA -0.133 45.110 45.100 0.238 0.000 0.796 913 G HN 0.724 nan 8.290 nan 0.000 0.489 914 F N 0.897 120.982 119.950 0.226 0.000 3.040 914 F HA 0.095 4.618 4.527 -0.006 0.000 0.298 914 F C 1.684 177.567 175.800 0.138 0.000 0.948 914 F CA 2.524 60.655 58.000 0.218 0.000 1.022 914 F CB -0.984 38.152 39.000 0.226 0.000 1.023 914 F HN 2.085 nan 8.300 nan 0.000 0.742 915 G N -0.668 108.164 108.800 0.053 0.000 2.234 915 G HA2 -0.225 3.732 3.960 -0.006 0.000 0.235 915 G HA3 -0.225 3.732 3.960 -0.006 0.000 0.235 915 G C 1.455 176.265 174.900 -0.150 0.000 0.997 915 G CA 0.680 45.726 45.100 -0.090 0.000 0.623 915 G HN 1.520 nan 8.290 nan 0.000 0.514 916 G N 1.639 110.406 108.800 -0.056 0.000 2.433 916 G HA2 0.103 4.059 3.960 -0.006 0.000 0.216 916 G HA3 0.103 4.059 3.960 -0.006 0.000 0.216 916 G C 0.107 174.961 174.900 -0.077 0.000 1.186 916 G CA 1.942 46.944 45.100 -0.163 0.000 0.779 916 G HN 0.528 nan 8.290 nan 0.000 0.543 917 P HA -0.112 nan 4.420 nan 0.000 0.216 917 P C 1.793 179.171 177.300 0.130 0.000 1.153 917 P CA 1.435 64.649 63.100 0.189 0.000 0.858 917 P CB -0.011 31.789 31.700 0.167 0.000 0.789 918 Q N -0.382 119.352 119.800 -0.110 0.000 1.993 918 Q HA -0.111 4.226 4.340 -0.006 0.000 0.202 918 Q C 2.326 178.218 176.000 -0.180 0.000 0.984 918 Q CA 2.145 57.796 55.803 -0.252 0.000 0.837 918 Q CB -1.446 26.745 28.738 -0.912 0.000 0.902 918 Q HN 0.164 nan 8.270 nan 0.000 0.423 919 A N -0.006 122.642 122.820 -0.288 0.000 2.015 919 A HA -0.076 4.240 4.320 -0.006 0.000 0.219 919 A C 1.998 179.533 177.584 -0.083 0.000 1.163 919 A CA 0.920 52.910 52.037 -0.079 0.000 0.646 919 A CB -0.522 18.426 19.000 -0.086 0.000 0.806 919 A HN 0.319 nan 8.150 nan 0.000 0.448 920 L N -2.248 118.830 121.223 -0.241 0.000 2.179 920 L HA -0.047 4.289 4.340 -0.006 0.000 0.208 920 L C 2.328 178.924 176.870 -0.458 0.000 1.096 920 L CA 0.991 55.476 54.840 -0.591 0.000 0.779 920 L CB -0.368 40.902 42.059 -1.314 0.000 0.922 920 L HN 0.515 nan 8.230 nan 0.000 0.443 921 F N 0.805 120.646 119.950 -0.182 0.000 2.163 921 F HA -0.149 4.374 4.527 -0.006 0.000 0.297 921 F C 2.179 177.942 175.800 -0.062 0.000 1.094 921 F CA 1.272 59.320 58.000 0.081 0.000 1.290 921 F CB -0.143 38.910 39.000 0.088 0.000 1.017 921 F HN -0.118 nan 8.300 nan 0.000 0.483 922 I N 0.788 121.259 120.570 -0.166 0.000 2.118 922 I HA -0.378 3.789 4.170 -0.006 0.000 0.241 922 I C 2.775 178.587 176.117 -0.508 0.000 1.070 922 I CA 1.540 62.679 61.300 -0.268 0.000 1.327 922 I CB -1.208 36.796 38.000 0.007 0.000 1.034 922 I HN 0.241 nan 8.210 nan 0.000 0.405 923 A N 0.211 122.755 122.820 -0.460 0.000 1.903 923 A HA -0.257 4.060 4.320 -0.006 0.000 0.219 923 A C 2.270 179.064 177.584 -1.316 0.000 1.191 923 A CA 2.024 53.495 52.037 -0.944 0.000 0.638 923 A CB -0.516 18.220 19.000 -0.441 0.000 0.823 923 A HN 0.419 nan 8.150 nan 0.000 0.451 924 E N -0.766 118.981 120.200 -0.755 0.000 2.230 924 E HA -0.098 4.248 4.350 -0.006 0.000 0.192 924 E C 1.789 177.814 176.600 -0.958 0.000 0.987 924 E CA 0.845 56.781 56.400 -0.773 0.000 0.841 924 E CB -0.410 28.971 29.700 -0.530 0.000 0.783 924 E HN 0.711 nan 8.360 nan 0.000 0.481 925 N N 1.287 119.546 118.700 -0.736 0.000 2.058 925 N HA -0.162 4.575 4.740 -0.006 0.000 0.191 925 N C 1.925 177.189 175.510 -0.409 0.000 1.037 925 N CA 2.067 54.839 53.050 -0.464 0.000 0.848 925 N CB -0.316 37.861 38.487 -0.515 0.000 1.021 925 N HN 0.347 nan 8.380 nan 0.000 0.422 926 W N -0.605 120.434 121.300 -0.434 0.000 2.402 926 W HA -0.062 4.594 4.660 -0.006 0.000 0.286 926 W C 1.711 178.047 176.519 -0.306 0.000 1.221 926 W CA 0.230 57.380 57.345 -0.326 0.000 1.257 926 W CB -0.910 28.386 29.460 -0.274 0.000 1.120 926 W HN 0.142 nan 8.180 nan 0.000 0.551 927 M N 3.427 122.724 119.600 -0.505 0.000 2.108 927 M HA -0.213 4.264 4.480 -0.006 0.000 0.261 927 M C 2.600 178.714 176.300 -0.311 0.000 1.066 927 M CA 2.850 57.888 55.300 -0.438 0.000 1.107 927 M CB -0.980 31.155 32.600 -0.775 0.000 1.356 927 M HN 0.106 nan 8.290 nan 0.000 0.406 928 S N -0.804 114.692 115.700 -0.341 0.000 2.382 928 S HA -0.166 4.301 4.470 -0.006 0.000 0.228 928 S C 1.809 176.350 174.600 -0.099 0.000 1.027 928 S CA 1.537 59.614 58.200 -0.205 0.000 0.991 928 S CB -0.786 62.304 63.200 -0.184 0.000 0.823 928 S HN 0.703 nan 8.310 nan 0.000 0.469 929 E N 0.721 120.874 120.200 -0.079 0.000 2.072 929 E HA -0.046 4.301 4.350 -0.006 0.000 0.190 929 E C 2.217 178.768 176.600 -0.082 0.000 0.982 929 E CA 1.147 57.537 56.400 -0.016 0.000 0.803 929 E CB -0.392 29.352 29.700 0.074 0.000 0.755 929 E HN 0.390 nan 8.360 nan 0.000 0.453 930 V N 1.736 121.497 119.914 -0.255 0.000 2.250 930 V HA -0.353 3.764 4.120 -0.006 0.000 0.250 930 V C 2.397 178.378 176.094 -0.188 0.000 1.060 930 V CA 2.144 64.108 62.300 -0.559 0.000 1.030 930 V CB -0.813 30.605 31.823 -0.675 0.000 0.643 930 V HN 0.347 nan 8.190 nan 0.000 0.445 931 A N -0.699 122.054 122.820 -0.112 0.000 1.902 931 A HA -0.165 4.151 4.320 -0.006 0.000 0.217 931 A C 2.369 179.976 177.584 0.039 0.000 1.181 931 A CA 2.158 54.183 52.037 -0.019 0.000 0.623 931 A CB -0.658 18.330 19.000 -0.020 0.000 0.818 931 A HN 0.356 nan 8.150 nan 0.000 0.443 932 V N -0.464 119.475 119.914 0.040 0.000 2.379 932 V HA -0.185 3.932 4.120 -0.006 0.000 0.245 932 V C 2.714 178.872 176.094 0.106 0.000 1.044 932 V CA 2.359 64.705 62.300 0.077 0.000 1.036 932 V CB -1.082 30.790 31.823 0.081 0.000 0.664 932 V HN 0.602 nan 8.190 nan 0.000 0.453 933 T N -1.215 113.418 114.554 0.132 0.000 2.788 933 T HA -0.202 4.144 4.350 -0.006 0.000 0.268 933 T C 1.748 176.570 174.700 0.203 0.000 1.044 933 T CA 1.884 64.107 62.100 0.204 0.000 1.139 933 T CB -0.408 68.676 68.868 0.359 0.000 0.867 933 T HN 0.539 nan 8.240 nan 0.000 0.454 934 C N 0.874 120.296 119.300 0.204 0.000 2.562 934 C HA 0.435 4.891 4.460 -0.006 0.000 0.266 934 C C 2.113 177.169 174.990 0.110 0.000 1.382 934 C CA -0.428 58.691 59.018 0.168 0.000 1.742 934 C CB -1.362 26.485 27.740 0.178 0.000 1.812 934 C HN 0.791 nan 8.230 nan 0.000 0.559 935 G N 1.134 109.994 108.800 0.100 0.000 2.249 935 G HA2 -0.258 3.699 3.960 -0.006 0.000 0.273 935 G HA3 -0.258 3.699 3.960 -0.006 0.000 0.273 935 G C -0.162 174.785 174.900 0.079 0.000 1.036 935 G CA 0.188 45.337 45.100 0.082 0.000 0.824 935 G HN 0.558 nan 8.290 nan 0.000 0.504 936 L N -0.457 120.816 121.223 0.083 0.000 2.334 936 L HA 0.531 4.868 4.340 -0.006 0.000 0.270 936 L C -1.871 175.056 176.870 0.096 0.000 1.018 936 L CA -2.629 52.263 54.840 0.087 0.000 0.811 936 L CB 1.623 43.733 42.059 0.086 0.000 1.271 936 L HN -0.141 nan 8.230 nan 0.000 0.443 937 P HA 0.035 nan 4.420 nan 0.000 0.267 937 P C -0.016 177.379 177.300 0.157 0.000 1.205 937 P CA -0.017 63.173 63.100 0.150 0.000 0.765 937 P CB 0.984 32.795 31.700 0.186 0.000 0.828 938 A N 3.966 126.878 122.820 0.153 0.000 1.972 938 A HA -0.211 4.106 4.320 -0.006 0.000 0.219 938 A C 1.751 179.447 177.584 0.186 0.000 1.169 938 A CA 1.532 53.643 52.037 0.124 0.000 0.635 938 A CB -0.827 18.231 19.000 0.097 0.000 0.810 938 A HN 0.550 nan 8.150 nan 0.000 0.446 939 E N 0.733 121.087 120.200 0.256 0.000 2.085 939 E HA -0.234 4.112 4.350 -0.006 0.000 0.194 939 E C 1.852 178.717 176.600 0.441 0.000 0.994 939 E CA 1.623 58.261 56.400 0.397 0.000 0.801 939 E CB -0.471 29.369 29.700 0.233 0.000 0.743 939 E HN 0.935 nan 8.360 nan 0.000 0.453 940 E N 1.128 121.522 120.200 0.324 0.000 2.072 940 E HA -0.135 4.212 4.350 -0.006 0.000 0.191 940 E C 1.934 178.660 176.600 0.210 0.000 0.985 940 E CA 1.247 57.830 56.400 0.305 0.000 0.801 940 E CB -0.185 29.656 29.700 0.236 0.000 0.750 940 E HN 0.131 nan 8.360 nan 0.000 0.452 941 V N 1.044 121.030 119.914 0.121 0.000 2.515 941 V HA -0.169 3.948 4.120 -0.006 0.000 0.250 941 V C 2.535 178.581 176.094 -0.080 0.000 1.058 941 V CA 1.958 64.266 62.300 0.013 0.000 1.064 941 V CB -0.580 31.229 31.823 -0.023 0.000 0.675 941 V HN 0.266 nan 8.190 nan 0.000 0.461 942 R N -1.308 119.170 120.500 -0.036 0.000 2.066 942 R HA -0.104 4.233 4.340 -0.006 0.000 0.224 942 R C 2.262 178.502 176.300 -0.101 0.000 1.122 942 R CA 1.493 57.499 56.100 -0.156 0.000 0.974 942 R CB -0.383 29.915 30.300 -0.003 0.000 0.871 942 R HN 0.690 nan 8.270 nan 0.000 0.435 943 W N 2.731 123.886 121.300 -0.241 0.000 2.318 943 W HA -0.286 4.370 4.660 -0.006 0.000 0.313 943 W C 1.746 178.177 176.519 -0.146 0.000 1.221 943 W CA 1.551 58.718 57.345 -0.297 0.000 1.266 943 W CB -0.129 29.274 29.460 -0.093 0.000 1.150 943 W HN 0.036 nan 8.180 nan 0.000 0.496 944 K N 0.393 120.674 120.400 -0.198 0.000 2.113 944 K HA -0.228 4.089 4.320 -0.006 0.000 0.208 944 K C 1.503 177.930 176.600 -0.289 0.000 1.047 944 K CA 1.850 57.986 56.287 -0.250 0.000 0.928 944 K CB -0.477 31.985 32.500 -0.063 0.000 0.716 944 K HN 0.094 nan 8.250 nan 0.000 0.446 945 N N 0.176 118.729 118.700 -0.246 0.000 2.336 945 N HA 0.006 4.742 4.740 -0.006 0.000 0.189 945 N C 0.146 175.556 175.510 -0.167 0.000 1.113 945 N CA 0.120 53.043 53.050 -0.212 0.000 0.858 945 N CB 0.220 38.549 38.487 -0.263 0.000 0.970 945 N HN 0.251 nan 8.380 nan 0.000 0.471 946 M N 0.938 120.403 119.600 -0.226 0.000 2.238 946 M HA 0.050 4.526 4.480 -0.006 0.000 0.347 946 M C -0.346 175.762 176.300 -0.319 0.000 1.173 946 M CA -0.220 54.954 55.300 -0.211 0.000 1.147 946 M CB 0.509 32.936 32.600 -0.288 0.000 1.547 946 M HN 0.021 nan 8.290 nan 0.000 0.455 947 Y N 3.585 123.695 120.300 -0.317 0.000 2.652 947 Y HA -0.016 4.531 4.550 -0.005 0.000 0.344 947 Y C 0.529 176.074 175.900 -0.592 0.000 1.254 947 Y CA 0.266 58.030 58.100 -0.561 0.000 1.480 947 Y CB 0.328 38.215 38.460 -0.954 0.000 1.345 947 Y HN 0.412 nan 8.280 nan 0.000 0.617 948 K N 1.202 121.410 120.400 -0.319 0.000 2.221 948 K HA 0.224 4.540 4.320 -0.006 0.000 0.243 948 K C -0.682 175.746 176.600 -0.287 0.000 0.968 948 K CA -1.333 54.820 56.287 -0.224 0.000 0.846 948 K CB 1.358 33.773 32.500 -0.142 0.000 1.141 948 K HN 0.560 nan 8.250 nan 0.000 0.434 949 E N 0.281 120.431 120.200 -0.083 0.000 2.900 949 E HA -0.078 4.268 4.350 -0.006 0.000 0.259 949 E C 0.867 177.403 176.600 -0.107 0.000 0.918 949 E CA 2.082 58.457 56.400 -0.042 0.000 0.960 949 E CB -0.430 29.292 29.700 0.037 0.000 0.908 949 E HN 0.767 nan 8.360 nan 0.000 0.511 950 G N 3.993 112.719 108.800 -0.124 0.000 2.241 950 G HA2 -0.266 3.690 3.960 -0.006 0.000 0.244 950 G HA3 -0.266 3.690 3.960 -0.006 0.000 0.244 950 G C 0.049 174.854 174.900 -0.159 0.000 0.998 950 G CA 0.027 45.062 45.100 -0.108 0.000 0.621 950 G HN 0.667 nan 8.290 nan 0.000 0.519 951 D N 0.858 121.120 120.400 -0.229 0.000 2.419 951 D HA 0.313 4.950 4.640 -0.006 0.000 0.236 951 D C 1.277 177.401 176.300 -0.294 0.000 1.165 951 D CA 0.383 54.251 54.000 -0.219 0.000 0.882 951 D CB 0.543 41.250 40.800 -0.154 0.000 1.201 951 D HN 0.359 nan 8.370 nan 0.000 0.443 952 L N 1.008 122.100 121.223 -0.218 0.000 2.399 952 L HA 0.277 4.614 4.340 -0.006 0.000 0.265 952 L C 1.339 178.022 176.870 -0.311 0.000 1.089 952 L CA -0.629 54.050 54.840 -0.268 0.000 0.802 952 L CB 1.202 43.159 42.059 -0.170 0.000 1.180 952 L HN 0.440 nan 8.230 nan 0.000 0.454 953 T N -3.654 110.607 114.554 -0.489 0.000 2.880 953 T HA 0.152 4.498 4.350 -0.006 0.000 0.279 953 T C 1.264 175.818 174.700 -0.245 0.000 0.990 953 T CA -0.469 61.369 62.100 -0.436 0.000 0.938 953 T CB 0.753 69.071 68.868 -0.917 0.000 1.206 953 T HN 0.741 nan 8.240 nan 0.000 0.573 954 H N 0.120 119.128 119.070 -0.104 0.000 2.518 954 H HA -0.013 4.540 4.556 -0.005 0.000 0.289 954 H C 1.085 176.470 175.328 0.095 0.000 1.051 954 H CA 1.224 57.294 56.048 0.037 0.000 1.280 954 H CB -0.668 29.178 29.762 0.140 0.000 1.380 954 H HN 0.759 nan 8.280 nan 0.000 0.566 955 F N -0.586 119.192 119.950 -0.286 0.000 2.661 955 F HA 0.440 4.964 4.527 -0.006 0.000 0.306 955 F C 0.079 175.881 175.800 0.005 0.000 1.094 955 F CA -0.781 57.128 58.000 -0.152 0.000 1.254 955 F CB 0.225 38.988 39.000 -0.395 0.000 1.040 955 F HN -0.097 nan 8.300 nan 0.000 0.562 956 N N 1.166 119.660 118.700 -0.343 0.000 3.049 956 N HA -0.201 4.536 4.740 -0.006 0.000 0.243 956 N C -0.367 175.015 175.510 -0.213 0.000 1.053 956 N CA 0.688 53.626 53.050 -0.187 0.000 0.869 956 N CB -1.117 37.355 38.487 -0.025 0.000 1.114 956 N HN 0.734 nan 8.380 nan 0.000 0.547 957 Q N 1.082 120.623 119.800 -0.431 0.000 2.282 957 Q HA 0.401 4.737 4.340 -0.006 0.000 0.260 957 Q C 0.161 176.012 176.000 -0.249 0.000 0.964 957 Q CA -0.800 54.865 55.803 -0.229 0.000 0.880 957 Q CB 1.273 29.983 28.738 -0.046 0.000 1.286 957 Q HN 0.341 nan 8.270 nan 0.000 0.445 958 R N 2.813 123.246 120.500 -0.111 0.000 2.500 958 R HA 0.436 4.773 4.340 -0.006 0.000 0.275 958 R C -1.072 175.191 176.300 -0.062 0.000 1.051 958 R CA -0.514 55.508 56.100 -0.130 0.000 1.088 958 R CB 0.600 30.852 30.300 -0.079 0.000 1.063 958 R HN 0.497 nan 8.270 nan 0.000 0.511 959 L N 3.337 124.470 121.223 -0.150 0.000 2.297 959 L HA 0.314 4.651 4.340 -0.006 0.000 0.277 959 L C -0.364 176.538 176.870 0.052 0.000 1.040 959 L CA -0.426 54.379 54.840 -0.059 0.000 0.867 959 L CB 0.927 42.780 42.059 -0.344 0.000 1.244 959 L HN 0.729 nan 8.230 nan 0.000 0.433 960 E N 1.941 122.226 120.200 0.142 0.000 2.231 960 E HA 0.490 4.837 4.350 -0.006 0.000 0.277 960 E C 0.729 177.442 176.600 0.189 0.000 0.999 960 E CA -0.690 55.785 56.400 0.124 0.000 0.827 960 E CB 1.645 31.395 29.700 0.082 0.000 1.101 960 E HN 0.651 nan 8.360 nan 0.000 0.393 961 G N 2.611 111.498 108.800 0.144 0.000 2.273 961 G HA2 -0.324 3.633 3.960 -0.006 0.000 0.280 961 G HA3 -0.324 3.633 3.960 -0.006 0.000 0.280 961 G C -0.365 174.639 174.900 0.173 0.000 1.047 961 G CA 0.052 45.239 45.100 0.144 0.000 0.869 961 G HN 0.550 nan 8.290 nan 0.000 0.502 962 F N 2.211 122.120 119.950 -0.069 0.000 2.468 962 F HA 0.473 4.997 4.527 -0.006 0.000 0.356 962 F C 1.308 176.853 175.800 -0.424 0.000 1.167 962 F CA -0.067 57.700 58.000 -0.389 0.000 1.135 962 F CB 0.642 39.459 39.000 -0.306 0.000 1.197 962 F HN 0.250 nan 8.300 nan 0.000 0.569 963 S N 2.949 118.070 115.700 -0.964 0.000 2.568 963 S HA 0.063 4.530 4.470 -0.006 0.000 0.232 963 S C 1.379 175.664 174.600 -0.524 0.000 0.975 963 S CA 0.084 57.994 58.200 -0.484 0.000 0.949 963 S CB -0.184 62.929 63.200 -0.144 0.000 0.829 963 S HN 0.443 nan 8.310 nan 0.000 0.479 964 V N 2.820 122.124 119.914 -1.017 0.000 2.392 964 V HA -0.056 4.061 4.120 -0.006 0.000 0.249 964 V C -0.512 175.524 176.094 -0.096 0.000 1.059 964 V CA 1.766 63.753 62.300 -0.522 0.000 1.051 964 V CB -1.513 29.911 31.823 -0.664 0.000 0.658 964 V HN 0.393 nan 8.190 nan 0.000 0.455 965 P HA -0.145 nan 4.420 nan 0.000 0.215 965 P C 1.737 179.136 177.300 0.166 0.000 1.153 965 P CA 1.415 64.681 63.100 0.277 0.000 0.853 965 P CB -0.096 31.832 31.700 0.381 0.000 0.788 966 R N -1.132 119.409 120.500 0.068 0.000 2.081 966 R HA -0.120 4.217 4.340 -0.006 0.000 0.235 966 R C 2.326 178.657 176.300 0.052 0.000 1.131 966 R CA 1.628 57.755 56.100 0.046 0.000 0.960 966 R CB -1.336 28.974 30.300 0.016 0.000 0.856 966 R HN 0.253 nan 8.270 nan 0.000 0.436 967 C N -0.375 118.958 119.300 0.055 0.000 2.436 967 C HA -0.154 4.302 4.460 -0.006 0.000 0.277 967 C C 2.407 177.463 174.990 0.110 0.000 1.241 967 C CA 0.141 59.202 59.018 0.072 0.000 1.721 967 C CB -1.111 26.677 27.740 0.080 0.000 2.043 967 C HN 0.649 nan 8.230 nan 0.000 0.472 968 W N 1.909 123.177 121.300 -0.052 0.000 2.304 968 W HA -0.195 4.461 4.660 -0.006 0.000 0.328 968 W C 2.278 178.714 176.519 -0.139 0.000 1.242 968 W CA 2.010 59.304 57.345 -0.084 0.000 1.243 968 W CB -0.865 28.576 29.460 -0.033 0.000 1.170 968 W HN 0.420 nan 8.180 nan 0.000 0.460 969 D N -0.133 120.308 120.400 0.069 0.000 2.204 969 D HA -0.296 4.341 4.640 -0.006 0.000 0.189 969 D C 1.923 178.175 176.300 -0.079 0.000 1.006 969 D CA 2.412 56.382 54.000 -0.051 0.000 0.855 969 D CB -0.566 40.228 40.800 -0.011 0.000 0.946 969 D HN 0.374 nan 8.370 nan 0.000 0.448 970 E N -0.424 119.750 120.200 -0.044 0.000 2.107 970 E HA -0.130 4.216 4.350 -0.006 0.000 0.191 970 E C 2.275 178.827 176.600 -0.081 0.000 0.982 970 E CA 0.456 56.829 56.400 -0.046 0.000 0.809 970 E CB 0.014 29.702 29.700 -0.020 0.000 0.756 970 E HN 0.242 nan 8.360 nan 0.000 0.459 971 C N 0.269 119.500 119.300 -0.116 0.000 2.476 971 C HA -0.011 4.446 4.460 -0.006 0.000 0.278 971 C C 2.594 177.435 174.990 -0.248 0.000 1.274 971 C CA 0.287 59.205 59.018 -0.167 0.000 1.713 971 C CB -1.096 26.534 27.740 -0.184 0.000 2.039 971 C HN 0.449 nan 8.230 nan 0.000 0.484 972 L N 0.950 121.941 121.223 -0.387 0.000 2.010 972 L HA -0.263 4.073 4.340 -0.006 0.000 0.219 972 L C 2.809 179.568 176.870 -0.185 0.000 1.077 972 L CA 2.354 56.944 54.840 -0.418 0.000 0.773 972 L CB -0.783 40.985 42.059 -0.485 0.000 0.892 972 L HN 0.454 nan 8.230 nan 0.000 0.436 973 K N -0.160 120.171 120.400 -0.116 0.000 2.031 973 K HA -0.149 4.168 4.320 -0.006 0.000 0.205 973 K C 2.370 178.943 176.600 -0.045 0.000 1.049 973 K CA 1.632 57.891 56.287 -0.047 0.000 0.939 973 K CB -0.006 32.475 32.500 -0.032 0.000 0.717 973 K HN 0.382 nan 8.250 nan 0.000 0.438 974 S N 0.410 116.075 115.700 -0.059 0.000 2.383 974 S HA -0.124 4.343 4.470 -0.006 0.000 0.227 974 S C 2.003 176.574 174.600 -0.048 0.000 1.026 974 S CA 1.567 59.738 58.200 -0.047 0.000 0.981 974 S CB -0.424 62.747 63.200 -0.049 0.000 0.818 974 S HN 0.405 nan 8.310 nan 0.000 0.472 975 S N 0.514 116.175 115.700 -0.066 0.000 2.562 975 S HA 0.114 4.580 4.470 -0.006 0.000 0.221 975 S C 0.593 175.169 174.600 -0.041 0.000 0.975 975 S CA 0.317 58.483 58.200 -0.055 0.000 0.918 975 S CB -0.774 62.386 63.200 -0.067 0.000 0.772 975 S HN 0.588 nan 8.310 nan 0.000 0.531 976 Q N -0.769 119.011 119.800 -0.034 0.000 2.468 976 Q HA -0.276 4.061 4.340 -0.006 0.000 0.289 976 Q C 0.249 176.225 176.000 -0.040 0.000 1.299 976 Q CA 0.721 56.513 55.803 -0.019 0.000 0.838 976 Q CB -2.524 26.201 28.738 -0.021 0.000 1.195 976 Q HN 0.780 nan 8.270 nan 0.000 0.456 977 Y N -0.492 119.670 120.300 -0.231 0.000 2.114 977 Y HA -0.344 4.203 4.550 -0.005 0.000 0.282 977 Y C 1.576 177.299 175.900 -0.294 0.000 1.165 977 Y CA 2.546 60.441 58.100 -0.342 0.000 1.148 977 Y CB -0.254 37.844 38.460 -0.603 0.000 0.972 977 Y HN 0.426 nan 8.280 nan 0.000 0.504 978 Y N -0.798 119.493 120.300 -0.014 0.000 2.200 978 Y HA -0.187 4.360 4.550 -0.006 0.000 0.290 978 Y C 2.650 178.476 175.900 -0.124 0.000 1.137 978 Y CA 0.918 58.974 58.100 -0.073 0.000 1.163 978 Y CB -0.684 37.796 38.460 0.033 0.000 0.988 978 Y HN 0.229 nan 8.280 nan 0.000 0.518 979 A N 0.427 123.270 122.820 0.038 0.000 1.930 979 A HA -0.155 4.161 4.320 -0.006 0.000 0.217 979 A C 2.166 179.710 177.584 -0.067 0.000 1.175 979 A CA 1.328 53.361 52.037 -0.006 0.000 0.627 979 A CB -0.428 18.574 19.000 0.003 0.000 0.815 979 A HN 0.362 nan 8.150 nan 0.000 0.443 980 R N -0.560 119.862 120.500 -0.129 0.000 2.148 980 R HA -0.051 4.285 4.340 -0.006 0.000 0.223 980 R C 2.159 178.330 176.300 -0.215 0.000 1.088 980 R CA 1.183 57.188 56.100 -0.159 0.000 0.985 980 R CB -0.251 29.949 30.300 -0.167 0.000 0.880 980 R HN 0.539 nan 8.270 nan 0.000 0.451 981 K N 0.633 120.836 120.400 -0.330 0.000 2.044 981 K HA -0.149 4.168 4.320 -0.006 0.000 0.210 981 K C 2.057 178.585 176.600 -0.121 0.000 1.049 981 K CA 1.945 58.055 56.287 -0.296 0.000 0.927 981 K CB 0.035 32.326 32.500 -0.348 0.000 0.713 981 K HN 0.006 nan 8.250 nan 0.000 0.443 982 S N 0.527 116.184 115.700 -0.071 0.000 2.383 982 S HA -0.113 4.353 4.470 -0.006 0.000 0.227 982 S C 1.629 176.223 174.600 -0.011 0.000 1.026 982 S CA 1.163 59.348 58.200 -0.025 0.000 0.981 982 S CB -0.133 63.061 63.200 -0.009 0.000 0.818 982 S HN 0.351 nan 8.310 nan 0.000 0.472 983 E N 0.415 120.602 120.200 -0.021 0.000 2.150 983 E HA -0.084 4.263 4.350 -0.006 0.000 0.193 983 E C 1.951 178.570 176.600 0.032 0.000 0.985 983 E CA 0.791 57.195 56.400 0.006 0.000 0.814 983 E CB -0.034 29.658 29.700 -0.014 0.000 0.752 983 E HN 0.231 nan 8.360 nan 0.000 0.466 984 V N 1.417 121.321 119.914 -0.016 0.000 2.323 984 V HA -0.224 3.893 4.120 -0.006 0.000 0.244 984 V C 1.631 177.765 176.094 0.067 0.000 1.041 984 V CA 1.774 64.073 62.300 -0.001 0.000 1.025 984 V CB -0.360 31.423 31.823 -0.066 0.000 0.656 984 V HN 0.217 nan 8.190 nan 0.000 0.451 985 D N 0.127 120.545 120.400 0.030 0.000 2.116 985 D HA -0.233 4.403 4.640 -0.006 0.000 0.193 985 D C 2.132 178.461 176.300 0.048 0.000 0.998 985 D CA 1.745 55.766 54.000 0.035 0.000 0.836 985 D CB -0.253 40.554 40.800 0.013 0.000 0.951 985 D HN 0.409 nan 8.370 nan 0.000 0.449 986 K N -0.279 120.152 120.400 0.052 0.000 2.032 986 K HA -0.180 4.137 4.320 -0.006 0.000 0.209 986 K C 2.250 178.890 176.600 0.066 0.000 1.048 986 K CA 0.933 57.247 56.287 0.045 0.000 0.927 986 K CB -0.412 32.113 32.500 0.043 0.000 0.712 986 K HN 0.100 nan 8.250 nan 0.000 0.441 987 F N 2.106 122.040 119.950 -0.026 0.000 2.126 987 F HA -0.225 4.300 4.527 -0.004 0.000 0.299 987 F C 1.664 177.447 175.800 -0.027 0.000 1.096 987 F CA 1.687 59.674 58.000 -0.022 0.000 1.255 987 F CB -0.128 38.862 39.000 -0.018 0.000 0.997 987 F HN 0.168 nan 8.300 nan 0.000 0.479 988 N N 0.554 119.347 118.700 0.155 0.000 2.270 988 N HA -0.103 4.634 4.740 -0.006 0.000 0.181 988 N C 1.549 177.017 175.510 -0.070 0.000 1.016 988 N CA 1.052 54.131 53.050 0.048 0.000 0.870 988 N CB -0.346 38.188 38.487 0.079 0.000 0.979 988 N HN 0.367 nan 8.380 nan 0.000 0.431 989 K N 0.716 121.081 120.400 -0.059 0.000 2.283 989 K HA -0.009 4.308 4.320 -0.006 0.000 0.202 989 K C 0.934 177.463 176.600 -0.119 0.000 1.048 989 K CA 0.831 57.069 56.287 -0.083 0.000 0.948 989 K CB 0.133 32.602 32.500 -0.052 0.000 0.742 989 K HN 0.350 nan 8.250 nan 0.000 0.458 990 E N -0.256 119.846 120.200 -0.163 0.000 2.489 990 E HA 0.102 4.449 4.350 -0.006 0.000 0.204 990 E C -0.184 176.257 176.600 -0.266 0.000 1.006 990 E CA -0.080 56.205 56.400 -0.191 0.000 0.936 990 E CB 0.531 30.123 29.700 -0.180 0.000 1.002 990 E HN 0.167 nan 8.360 nan 0.000 0.488 991 N N -0.283 118.217 118.700 -0.334 0.000 2.225 991 N HA 0.158 4.895 4.740 -0.006 0.000 0.298 991 N C -0.674 174.692 175.510 -0.239 0.000 1.076 991 N CA -0.309 52.527 53.050 -0.356 0.000 0.792 991 N CB 2.206 40.266 38.487 -0.712 0.000 1.498 991 N HN -0.049 nan 8.380 nan 0.000 0.474 992 C N 0.711 119.892 119.300 -0.197 0.000 2.478 992 C HA 0.299 4.756 4.460 -0.006 0.000 0.397 992 C C 0.867 175.625 174.990 -0.388 0.000 1.360 992 C CA -0.234 58.571 59.018 -0.355 0.000 2.191 992 C CB -0.343 27.173 27.740 -0.373 0.000 2.654 992 C HN 0.885 nan 8.230 nan 0.000 0.548 993 W N 1.273 122.640 121.300 0.111 0.000 2.702 993 W HA 0.413 5.072 4.660 -0.002 0.000 0.369 993 W C 0.371 176.949 176.519 0.098 0.000 0.987 993 W CA -0.241 57.178 57.345 0.123 0.000 1.702 993 W CB 0.425 29.935 29.460 0.084 0.000 1.138 993 W HN -0.036 nan 8.180 nan 0.000 0.552 994 K N 1.400 121.951 120.400 0.251 0.000 2.427 994 K HA 0.430 4.746 4.320 -0.006 0.000 0.252 994 K C -0.262 176.531 176.600 0.323 0.000 0.931 994 K CA -0.845 55.607 56.287 0.275 0.000 0.793 994 K CB 2.365 35.064 32.500 0.333 0.000 1.211 994 K HN -0.422 nan 8.250 nan 0.000 0.426 995 K N 2.186 122.765 120.400 0.297 0.000 2.443 995 K HA 0.512 4.829 4.320 -0.006 0.000 0.251 995 K C -0.481 176.210 176.600 0.152 0.000 0.972 995 K CA -0.862 55.592 56.287 0.279 0.000 0.833 995 K CB 2.237 34.819 32.500 0.137 0.000 1.317 995 K HN 0.523 nan 8.250 nan 0.000 0.441 996 R N -0.186 120.362 120.500 0.080 0.000 2.832 996 R HA 0.707 5.043 4.340 -0.006 0.000 0.271 996 R C -0.066 176.218 176.300 -0.027 0.000 0.996 996 R CA -1.070 54.979 56.100 -0.085 0.000 0.977 996 R CB 2.072 32.199 30.300 -0.288 0.000 1.168 996 R HN 0.769 nan 8.270 nan 0.000 0.482 997 G N 0.937 109.710 108.800 -0.045 0.000 2.612 997 G HA2 0.602 4.559 3.960 -0.006 0.000 0.298 997 G HA3 0.602 4.559 3.960 -0.006 0.000 0.298 997 G C -1.990 172.895 174.900 -0.025 0.000 1.336 997 G CA -0.368 44.722 45.100 -0.016 0.000 0.953 997 G HN 0.310 nan 8.290 nan 0.000 0.482 998 L N 0.683 121.904 121.223 -0.003 0.000 2.482 998 L HA 0.839 5.176 4.340 -0.006 0.000 0.263 998 L C -1.220 175.711 176.870 0.101 0.000 0.957 998 L CA -0.774 54.068 54.840 0.003 0.000 0.836 998 L CB 1.807 43.802 42.059 -0.107 0.000 1.324 998 L HN 0.797 nan 8.230 nan 0.000 0.406 999 C N 5.619 125.008 119.300 0.149 0.000 2.931 999 C HA 0.629 5.086 4.460 -0.006 0.000 0.370 999 C C -1.086 173.961 174.990 0.096 0.000 1.071 999 C CA -0.801 58.319 59.018 0.170 0.000 1.266 999 C CB 0.664 28.508 27.740 0.173 0.000 1.691 999 C HN 0.908 nan 8.230 nan 0.000 0.511 1000 I N 6.417 126.972 120.570 -0.024 0.000 2.404 1000 I HA 0.729 4.896 4.170 -0.006 0.000 0.293 1000 I C -0.888 175.222 176.117 -0.013 0.000 0.992 1000 I CA -0.538 60.622 61.300 -0.232 0.000 1.149 1000 I CB 0.919 38.412 38.000 -0.845 0.000 1.315 1000 I HN 0.690 nan 8.210 nan 0.000 0.446 1001 I N 8.981 129.612 120.570 0.103 0.000 2.656 1001 I HA 0.509 4.676 4.170 -0.006 0.000 0.292 1001 I C -2.571 173.762 176.117 0.361 0.000 1.144 1001 I CA -1.828 59.632 61.300 0.267 0.000 1.038 1001 I CB 3.125 41.199 38.000 0.124 0.000 1.244 1001 I HN 0.400 nan 8.210 nan 0.000 0.420 1002 P HA 0.470 nan 4.420 nan 0.000 0.288 1002 P C -1.108 176.389 177.300 0.328 0.000 1.297 1002 P CA -0.515 62.793 63.100 0.346 0.000 0.864 1002 P CB 2.454 34.286 31.700 0.220 0.000 1.237 1003 T N -1.119 113.616 114.554 0.300 0.000 2.889 1003 T HA 0.536 4.882 4.350 -0.006 0.000 0.315 1003 T C -1.689 173.195 174.700 0.307 0.000 1.291 1003 T CA -0.698 61.597 62.100 0.325 0.000 1.028 1003 T CB 0.998 70.158 68.868 0.487 0.000 1.235 1003 T HN 0.651 nan 8.240 nan 0.000 0.491 1004 K N 2.221 122.797 120.400 0.294 0.000 2.464 1004 K HA 0.748 5.065 4.320 -0.006 0.000 0.253 1004 K C -1.965 174.833 176.600 0.329 0.000 0.933 1004 K CA -0.879 55.579 56.287 0.286 0.000 0.801 1004 K CB 2.046 34.759 32.500 0.354 0.000 1.271 1004 K HN 0.449 nan 8.250 nan 0.000 0.430 1005 F N 1.314 121.322 119.950 0.097 0.000 2.539 1005 F HA 0.475 4.999 4.527 -0.006 0.000 0.318 1005 F C -0.223 175.547 175.800 -0.050 0.000 1.135 1005 F CA -0.319 57.755 58.000 0.123 0.000 0.915 1005 F CB 2.120 41.106 39.000 -0.023 0.000 1.176 1005 F HN 0.811 nan 8.300 nan 0.000 0.440 1006 G N 6.645 115.088 108.800 -0.596 0.000 2.364 1006 G HA2 0.418 4.375 3.960 -0.006 0.000 0.267 1006 G HA3 0.418 4.375 3.960 -0.006 0.000 0.267 1006 G C -0.664 173.494 174.900 -1.238 0.000 1.233 1006 G CA -0.494 43.727 45.100 -1.465 0.000 0.885 1006 G HN 0.496 nan 8.290 nan 0.000 0.490 1007 I N 1.968 122.008 120.570 -0.883 0.000 2.291 1007 I HA 0.448 4.615 4.170 -0.006 0.000 0.290 1007 I C 0.301 176.233 176.117 -0.307 0.000 1.050 1007 I CA -0.083 60.861 61.300 -0.594 0.000 1.245 1007 I CB -0.346 37.055 38.000 -0.997 0.000 1.405 1007 I HN 0.358 nan 8.210 nan 0.000 0.478 1008 S N 4.578 120.209 115.700 -0.115 0.000 2.787 1008 S HA 0.250 4.717 4.470 -0.006 0.000 0.280 1008 S C -0.671 173.934 174.600 0.008 0.000 0.889 1008 S CA -0.909 57.278 58.200 -0.021 0.000 0.926 1008 S CB 0.311 63.533 63.200 0.037 0.000 1.167 1008 S HN 0.280 nan 8.310 nan 0.000 0.471 1009 F N 2.256 122.179 119.950 -0.044 0.000 2.563 1009 F HA 0.120 4.643 4.527 -0.005 0.000 0.363 1009 F C 2.402 178.183 175.800 -0.031 0.000 1.123 1009 F CA 1.032 58.997 58.000 -0.060 0.000 1.307 1009 F CB 0.648 39.574 39.000 -0.124 0.000 1.115 1009 F HN 0.837 nan 8.300 nan 0.000 0.592 1010 T N -1.153 113.536 114.554 0.225 0.000 2.867 1010 T HA -0.046 4.300 4.350 -0.006 0.000 0.268 1010 T C 0.672 175.444 174.700 0.120 0.000 1.057 1010 T CA 0.469 62.674 62.100 0.175 0.000 1.136 1010 T CB -0.456 68.620 68.868 0.347 0.000 0.874 1010 T HN 0.191 nan 8.240 nan 0.000 0.466 1011 V N 4.486 124.438 119.914 0.062 0.000 2.387 1011 V HA 0.189 4.306 4.120 -0.006 0.000 0.260 1011 V C -1.243 174.705 176.094 -0.244 0.000 1.054 1011 V CA -1.419 60.796 62.300 -0.142 0.000 0.967 1011 V CB 1.049 32.658 31.823 -0.357 0.000 1.036 1011 V HN 0.279 nan 8.190 nan 0.000 0.481 1012 P HA -0.176 nan 4.420 nan 0.000 0.218 1012 P C 1.509 178.771 177.300 -0.063 0.000 1.148 1012 P CA 1.176 64.239 63.100 -0.062 0.000 0.822 1012 P CB -0.001 31.702 31.700 0.004 0.000 0.784 1013 F N -1.254 118.668 119.950 -0.046 0.000 2.451 1013 F HA -0.002 4.522 4.527 -0.005 0.000 0.299 1013 F C 1.463 177.172 175.800 -0.151 0.000 1.101 1013 F CA 0.738 58.693 58.000 -0.074 0.000 1.436 1013 F CB -1.787 37.184 39.000 -0.049 0.000 1.074 1013 F HN -0.172 nan 8.300 nan 0.000 0.553 1014 L N 0.663 121.688 121.223 -0.329 0.000 2.395 1014 L HA -0.029 4.307 4.340 -0.006 0.000 0.218 1014 L C 0.862 177.484 176.870 -0.413 0.000 1.130 1014 L CA 0.415 54.931 54.840 -0.540 0.000 0.826 1014 L CB -0.712 40.534 42.059 -1.355 0.000 0.941 1014 L HN 0.141 nan 8.230 nan 0.000 0.451 1015 N N 2.500 121.104 118.700 -0.160 0.000 3.193 1015 N HA 0.020 4.757 4.740 -0.006 0.000 0.312 1015 N C -0.382 175.033 175.510 -0.159 0.000 1.261 1015 N CA 0.181 53.196 53.050 -0.059 0.000 1.208 1015 N CB 0.130 38.601 38.487 -0.027 0.000 1.471 1015 N HN 0.532 nan 8.380 nan 0.000 0.548 1016 Q N -0.857 118.823 119.800 -0.199 0.000 2.359 1016 Q HA 0.790 5.126 4.340 -0.006 0.000 0.274 1016 Q C -1.803 173.944 176.000 -0.422 0.000 1.074 1016 Q CA -1.225 54.376 55.803 -0.338 0.000 0.810 1016 Q CB 2.316 30.963 28.738 -0.151 0.000 1.342 1016 Q HN 0.069 nan 8.270 nan 0.000 0.427 1017 A N 1.227 123.640 122.820 -0.678 0.000 2.459 1017 A HA 0.859 5.175 4.320 -0.006 0.000 0.296 1017 A C -0.661 176.688 177.584 -0.391 0.000 1.039 1017 A CA -0.174 51.610 52.037 -0.422 0.000 0.698 1017 A CB 1.799 20.497 19.000 -0.504 0.000 1.261 1017 A HN 0.896 nan 8.150 nan 0.000 0.405 1018 G N -0.009 108.833 108.800 0.070 0.000 2.454 1018 G HA2 0.864 4.821 3.960 -0.006 0.000 0.329 1018 G HA3 0.864 4.821 3.960 -0.006 0.000 0.329 1018 G C -0.395 174.657 174.900 0.254 0.000 1.177 1018 G CA -0.039 45.201 45.100 0.234 0.000 0.951 1018 G HN 1.844 nan 8.290 nan 0.000 0.485 1019 A N -0.162 122.778 122.820 0.200 0.000 2.556 1019 A HA 0.775 5.092 4.320 -0.006 0.000 0.294 1019 A C -1.871 175.757 177.584 0.074 0.000 1.091 1019 A CA -0.572 51.548 52.037 0.139 0.000 0.704 1019 A CB 2.153 21.231 19.000 0.131 0.000 1.300 1019 A HN 1.169 nan 8.150 nan 0.000 0.406 1020 L N 1.706 122.926 121.223 -0.006 0.000 2.409 1020 L HA 0.732 5.069 4.340 -0.006 0.000 0.272 1020 L C -1.272 175.478 176.870 -0.201 0.000 0.980 1020 L CA -0.272 54.510 54.840 -0.096 0.000 0.826 1020 L CB 1.282 43.260 42.059 -0.136 0.000 1.268 1020 L HN 0.619 nan 8.230 nan 0.000 0.407 1021 I N 4.350 124.805 120.570 -0.191 0.000 2.509 1021 I HA 0.425 4.591 4.170 -0.006 0.000 0.293 1021 I C -0.963 175.031 176.117 -0.205 0.000 1.020 1021 I CA -0.834 60.355 61.300 -0.185 0.000 1.088 1021 I CB 1.790 39.768 38.000 -0.037 0.000 1.267 1021 I HN 0.512 nan 8.210 nan 0.000 0.430 1022 H N 4.821 123.839 119.070 -0.088 0.000 2.529 1022 H HA 0.491 5.044 4.556 -0.005 0.000 0.348 1022 H C -0.841 174.313 175.328 -0.290 0.000 1.079 1022 H CA -0.733 55.159 56.048 -0.260 0.000 1.198 1022 H CB 2.394 31.858 29.762 -0.496 0.000 1.521 1022 H HN 0.172 nan 8.280 nan 0.000 0.514 1023 V N 4.502 124.351 119.914 -0.109 0.000 2.398 1023 V HA 0.254 4.371 4.120 -0.006 0.000 0.286 1023 V C -0.195 175.779 176.094 -0.200 0.000 1.026 1023 V CA -0.843 61.424 62.300 -0.055 0.000 0.868 1023 V CB 0.266 32.153 31.823 0.106 0.000 0.982 1023 V HN 0.585 nan 8.190 nan 0.000 0.443 1024 Y N 1.754 122.103 120.300 0.082 0.000 2.334 1024 Y HA 0.276 4.823 4.550 -0.006 0.000 0.325 1024 Y C 2.020 177.886 175.900 -0.057 0.000 1.308 1024 Y CA -0.110 57.986 58.100 -0.007 0.000 1.389 1024 Y CB 1.034 39.496 38.460 0.003 0.000 1.328 1024 Y HN 0.724 nan 8.280 nan 0.000 0.532 1025 T N -3.607 110.969 114.554 0.038 0.000 3.088 1025 T HA -0.116 4.231 4.350 -0.006 0.000 0.259 1025 T C 0.851 175.516 174.700 -0.059 0.000 1.122 1025 T CA 0.834 62.863 62.100 -0.118 0.000 1.095 1025 T CB -0.262 68.407 68.868 -0.332 0.000 0.930 1025 T HN 0.734 nan 8.240 nan 0.000 0.508 1026 D N 1.306 121.712 120.400 0.010 0.000 2.349 1026 D HA 0.155 4.791 4.640 -0.006 0.000 0.224 1026 D C 1.689 178.046 176.300 0.094 0.000 1.029 1026 D CA 0.592 54.610 54.000 0.029 0.000 0.879 1026 D CB -0.770 40.044 40.800 0.024 0.000 0.906 1026 D HN 0.538 nan 8.370 nan 0.000 0.528 1027 G N 0.474 109.350 108.800 0.127 0.000 2.179 1027 G HA2 -0.303 3.653 3.960 -0.006 0.000 0.260 1027 G HA3 -0.303 3.653 3.960 -0.006 0.000 0.260 1027 G C 0.364 175.558 174.900 0.491 0.000 0.977 1027 G CA 0.554 45.834 45.100 0.300 0.000 0.641 1027 G HN 0.871 nan 8.290 nan 0.000 0.533 1028 S N -0.589 115.299 115.700 0.313 0.000 2.564 1028 S HA 0.630 5.096 4.470 -0.006 0.000 0.278 1028 S C 0.088 174.901 174.600 0.354 0.000 1.333 1028 S CA 0.044 58.415 58.200 0.285 0.000 1.048 1028 S CB 2.123 65.444 63.200 0.201 0.000 0.900 1028 S HN 1.085 nan 8.310 nan 0.000 0.505 1029 V N 4.209 124.292 119.914 0.282 0.000 2.448 1029 V HA 0.505 4.622 4.120 -0.006 0.000 0.295 1029 V C -0.560 175.673 176.094 0.230 0.000 1.025 1029 V CA -0.826 61.612 62.300 0.231 0.000 0.859 1029 V CB 1.341 33.261 31.823 0.162 0.000 0.988 1029 V HN 0.901 nan 8.190 nan 0.000 0.431 1030 L N 6.622 127.976 121.223 0.218 0.000 2.298 1030 L HA 0.639 4.976 4.340 -0.006 0.000 0.284 1030 L C -0.454 176.431 176.870 0.026 0.000 1.013 1030 L CA 0.082 55.042 54.840 0.200 0.000 0.824 1030 L CB 1.574 43.854 42.059 0.370 0.000 1.221 1030 L HN 0.445 nan 8.230 nan 0.000 0.418 1031 V N 4.149 124.059 119.914 -0.007 0.000 2.439 1031 V HA 0.591 4.708 4.120 -0.006 0.000 0.282 1031 V C 0.155 176.191 176.094 -0.098 0.000 1.039 1031 V CA -0.274 61.998 62.300 -0.047 0.000 0.913 1031 V CB 1.491 33.311 31.823 -0.006 0.000 0.983 1031 V HN 0.847 nan 8.190 nan 0.000 0.460 1032 S N 4.356 119.989 115.700 -0.111 0.000 2.513 1032 S HA 0.724 5.191 4.470 -0.006 0.000 0.299 1032 S C -0.839 173.715 174.600 -0.078 0.000 1.087 1032 S CA -0.660 57.442 58.200 -0.162 0.000 1.012 1032 S CB 0.792 63.898 63.200 -0.156 0.000 1.044 1032 S HN 1.013 nan 8.310 nan 0.000 0.485 1033 H N 0.802 119.780 119.070 -0.154 0.000 2.960 1033 H HA 0.491 5.043 4.556 -0.006 0.000 0.338 1033 H C 0.781 175.937 175.328 -0.286 0.000 1.261 1033 H CA -0.535 55.414 56.048 -0.165 0.000 1.136 1033 H CB 1.071 30.741 29.762 -0.153 0.000 1.875 1033 H HN 0.678 nan 8.280 nan 0.000 0.550 1034 G N -0.390 108.208 108.800 -0.336 0.000 2.813 1034 G HA2 0.135 4.092 3.960 -0.006 0.000 0.209 1034 G HA3 0.135 4.092 3.960 -0.006 0.000 0.209 1034 G C 0.679 175.229 174.900 -0.584 0.000 1.150 1034 G CA 0.299 45.199 45.100 -0.335 0.000 0.785 1034 G HN 0.804 nan 8.290 nan 0.000 0.535 1035 G N 0.202 108.359 108.800 -1.073 0.000 2.444 1035 G HA2 0.452 4.408 3.960 -0.006 0.000 0.268 1035 G HA3 0.452 4.408 3.960 -0.006 0.000 0.268 1035 G C 0.162 174.925 174.900 -0.228 0.000 1.203 1035 G CA 0.324 45.116 45.100 -0.513 0.000 0.835 1035 G HN 0.330 nan 8.290 nan 0.000 0.543 1036 T N -1.141 113.336 114.554 -0.128 0.000 2.929 1036 T HA 0.556 4.902 4.350 -0.006 0.000 0.284 1036 T C -0.274 174.279 174.700 -0.245 0.000 1.014 1036 T CA -0.766 61.246 62.100 -0.146 0.000 1.051 1036 T CB 2.148 70.955 68.868 -0.102 0.000 1.028 1036 T HN 0.461 nan 8.240 nan 0.000 0.485 1037 E N 2.270 122.255 120.200 -0.359 0.000 2.146 1037 E HA 0.403 4.750 4.350 -0.006 0.000 0.282 1037 E C 0.434 176.937 176.600 -0.162 0.000 0.989 1037 E CA -0.659 55.524 56.400 -0.361 0.000 0.799 1037 E CB 0.791 30.196 29.700 -0.492 0.000 1.088 1037 E HN 0.777 nan 8.360 nan 0.000 0.397 1038 M N 2.433 121.954 119.600 -0.132 0.000 2.416 1038 M HA 0.492 4.968 4.480 -0.006 0.000 0.337 1038 M C 0.750 176.987 176.300 -0.105 0.000 1.074 1038 M CA 0.166 55.385 55.300 -0.135 0.000 0.968 1038 M CB 0.809 33.276 32.600 -0.222 0.000 1.472 1038 M HN 0.594 nan 8.290 nan 0.000 0.539 1039 G N 1.895 110.693 108.800 -0.002 0.000 2.205 1039 G HA2 -0.219 3.738 3.960 -0.006 0.000 0.180 1039 G HA3 -0.219 3.738 3.960 -0.006 0.000 0.180 1039 G C 0.648 175.618 174.900 0.116 0.000 1.004 1039 G CA 0.317 45.460 45.100 0.071 0.000 0.670 1039 G HN 0.604 nan 8.290 nan 0.000 0.496 1040 Q N 1.162 120.990 119.800 0.047 0.000 2.360 1040 Q HA 0.373 4.710 4.340 -0.006 0.000 0.202 1040 Q C 1.512 177.528 176.000 0.028 0.000 0.915 1040 Q CA 1.060 56.886 55.803 0.039 0.000 0.943 1040 Q CB 0.045 28.780 28.738 -0.004 0.000 1.064 1040 Q HN 1.780 nan 8.270 nan 0.000 0.511 1041 G N 1.908 110.702 108.800 -0.009 0.000 2.147 1041 G HA2 -0.320 3.636 3.960 -0.006 0.000 0.244 1041 G HA3 -0.320 3.636 3.960 -0.006 0.000 0.244 1041 G C 0.449 175.265 174.900 -0.141 0.000 1.005 1041 G CA 0.434 45.435 45.100 -0.166 0.000 0.713 1041 G HN 0.385 nan 8.290 nan 0.000 0.515 1042 L N 0.545 121.692 121.223 -0.126 0.000 1.971 1042 L HA -0.057 4.280 4.340 -0.006 0.000 0.215 1042 L C 2.628 179.499 176.870 0.001 0.000 1.072 1042 L CA 3.118 57.913 54.840 -0.074 0.000 0.758 1042 L CB -0.729 41.283 42.059 -0.079 0.000 0.889 1042 L HN 0.420 nan 8.230 nan 0.000 0.433 1043 H N -0.825 118.217 119.070 -0.047 0.000 2.352 1043 H HA -0.105 4.447 4.556 -0.005 0.000 0.299 1043 H C 2.164 177.432 175.328 -0.101 0.000 1.097 1043 H CA 1.848 57.874 56.048 -0.037 0.000 1.311 1043 H CB -1.115 28.599 29.762 -0.079 0.000 1.377 1043 H HN 0.391 nan 8.280 nan 0.000 0.504 1044 T N 0.907 115.424 114.554 -0.062 0.000 2.720 1044 T HA -0.132 4.214 4.350 -0.006 0.000 0.268 1044 T C 2.008 176.689 174.700 -0.032 0.000 1.037 1044 T CA 1.583 63.634 62.100 -0.082 0.000 1.144 1044 T CB 0.021 68.787 68.868 -0.170 0.000 0.864 1044 T HN 0.351 nan 8.240 nan 0.000 0.444 1045 K N 0.049 120.431 120.400 -0.030 0.000 2.167 1045 K HA 0.118 4.435 4.320 -0.006 0.000 0.203 1045 K C 2.257 178.855 176.600 -0.003 0.000 1.052 1045 K CA 0.731 57.011 56.287 -0.010 0.000 0.956 1045 K CB -0.076 32.416 32.500 -0.013 0.000 0.735 1045 K HN 0.153 nan 8.250 nan 0.000 0.451 1046 M N 0.389 119.975 119.600 -0.022 0.000 2.175 1046 M HA -0.102 4.375 4.480 -0.006 0.000 0.264 1046 M C 2.115 178.414 176.300 -0.003 0.000 1.063 1046 M CA 1.282 56.555 55.300 -0.045 0.000 1.119 1046 M CB -0.569 31.956 32.600 -0.125 0.000 1.377 1046 M HN -0.086 nan 8.290 nan 0.000 0.415 1047 V N -0.045 119.872 119.914 0.005 0.000 2.427 1047 V HA -0.249 3.868 4.120 -0.006 0.000 0.248 1047 V C 2.345 178.447 176.094 0.013 0.000 1.051 1047 V CA 1.432 63.735 62.300 0.005 0.000 1.048 1047 V CB -0.651 31.172 31.823 0.001 0.000 0.666 1047 V HN 0.514 nan 8.190 nan 0.000 0.456 1048 Q N -0.775 119.037 119.800 0.019 0.000 2.119 1048 Q HA -0.137 4.200 4.340 -0.006 0.000 0.201 1048 Q C 2.335 178.376 176.000 0.068 0.000 0.972 1048 Q CA 1.564 57.383 55.803 0.027 0.000 0.847 1048 Q CB -0.160 28.592 28.738 0.023 0.000 0.903 1048 Q HN 0.538 nan 8.270 nan 0.000 0.433 1049 V N 0.821 120.802 119.914 0.111 0.000 2.244 1049 V HA -0.262 3.855 4.120 -0.006 0.000 0.244 1049 V C 2.298 178.498 176.094 0.177 0.000 1.042 1049 V CA 1.766 64.202 62.300 0.226 0.000 1.006 1049 V CB -1.080 30.840 31.823 0.161 0.000 0.641 1049 V HN 0.400 nan 8.190 nan 0.000 0.446 1050 A N -0.163 122.708 122.820 0.084 0.000 1.896 1050 A HA -0.349 3.968 4.320 -0.006 0.000 0.220 1050 A C 2.584 180.171 177.584 0.005 0.000 1.206 1050 A CA 2.888 54.948 52.037 0.038 0.000 0.647 1050 A CB -1.191 17.815 19.000 0.011 0.000 0.828 1050 A HN 0.535 nan 8.150 nan 0.000 0.455 1051 S N -0.674 115.019 115.700 -0.012 0.000 2.383 1051 S HA -0.249 4.218 4.470 -0.006 0.000 0.229 1051 S C 2.095 176.673 174.600 -0.035 0.000 1.030 1051 S CA 2.158 60.325 58.200 -0.056 0.000 1.002 1051 S CB -0.322 62.849 63.200 -0.048 0.000 0.829 1051 S HN 0.640 nan 8.310 nan 0.000 0.467 1052 K N 0.341 120.754 120.400 0.021 0.000 2.031 1052 K HA 0.101 4.417 4.320 -0.006 0.000 0.205 1052 K C 2.238 178.889 176.600 0.085 0.000 1.049 1052 K CA 1.085 57.382 56.287 0.017 0.000 0.939 1052 K CB -0.555 31.914 32.500 -0.051 0.000 0.717 1052 K HN 0.383 nan 8.250 nan 0.000 0.438 1053 A N 0.950 123.872 122.820 0.170 0.000 1.898 1053 A HA -0.075 4.241 4.320 -0.006 0.000 0.216 1053 A C 2.018 179.615 177.584 0.022 0.000 1.181 1053 A CA 1.243 53.358 52.037 0.130 0.000 0.620 1053 A CB -0.505 18.532 19.000 0.062 0.000 0.819 1053 A HN 0.322 nan 8.150 nan 0.000 0.442 1054 L N -1.909 119.304 121.223 -0.016 0.000 2.341 1054 L HA 0.032 4.369 4.340 -0.006 0.000 0.214 1054 L C 0.343 177.167 176.870 -0.077 0.000 1.115 1054 L CA 0.633 55.438 54.840 -0.059 0.000 0.820 1054 L CB -0.196 41.735 42.059 -0.213 0.000 0.944 1054 L HN 0.360 nan 8.230 nan 0.000 0.452 1055 K N 0.984 121.344 120.400 -0.066 0.000 3.161 1055 K HA -0.169 4.147 4.320 -0.006 0.000 0.270 1055 K C -0.347 176.176 176.600 -0.129 0.000 1.115 1055 K CA 0.618 56.879 56.287 -0.044 0.000 0.789 1055 K CB -1.998 30.533 32.500 0.051 0.000 1.256 1055 K HN 0.521 nan 8.250 nan 0.000 0.492 1056 I N -4.281 116.135 120.570 -0.257 0.000 2.846 1056 I HA 0.634 4.800 4.170 -0.006 0.000 0.307 1056 I C -2.540 173.454 176.117 -0.205 0.000 1.053 1056 I CA -3.238 57.858 61.300 -0.339 0.000 1.050 1056 I CB 2.072 39.624 38.000 -0.747 0.000 1.239 1056 I HN -0.302 nan 8.210 nan 0.000 0.439 1057 P HA 0.071 nan 4.420 nan 0.000 0.266 1057 P C 1.075 178.323 177.300 -0.086 0.000 1.193 1057 P CA 0.012 63.054 63.100 -0.096 0.000 0.770 1057 P CB 0.507 32.163 31.700 -0.073 0.000 0.836 1058 I N 0.705 121.246 120.570 -0.049 0.000 2.361 1058 I HA -0.241 3.926 4.170 -0.006 0.000 0.251 1058 I C 1.787 177.901 176.117 -0.004 0.000 1.133 1058 I CA 2.000 63.286 61.300 -0.024 0.000 1.413 1058 I CB -1.104 36.892 38.000 -0.007 0.000 1.073 1058 I HN 0.273 nan 8.210 nan 0.000 0.424 1059 S N 1.338 117.034 115.700 -0.008 0.000 2.440 1059 S HA -0.177 4.290 4.470 -0.006 0.000 0.238 1059 S C 1.824 176.430 174.600 0.009 0.000 1.010 1059 S CA 1.179 59.383 58.200 0.006 0.000 0.972 1059 S CB -0.645 62.553 63.200 -0.004 0.000 0.774 1059 S HN 0.625 nan 8.310 nan 0.000 0.501 1060 K N 0.389 120.781 120.400 -0.014 0.000 2.426 1060 K HA 0.320 4.636 4.320 -0.006 0.000 0.193 1060 K C 0.039 176.668 176.600 0.048 0.000 1.028 1060 K CA 0.249 56.537 56.287 0.001 0.000 1.047 1060 K CB 0.071 32.528 32.500 -0.072 0.000 0.821 1060 K HN 0.494 nan 8.250 nan 0.000 0.513 1061 I N 0.494 121.096 120.570 0.053 0.000 2.441 1061 I HA 0.245 4.412 4.170 -0.006 0.000 0.295 1061 I C -1.053 175.171 176.117 0.178 0.000 0.994 1061 I CA -1.156 60.195 61.300 0.086 0.000 1.144 1061 I CB 1.175 39.188 38.000 0.022 0.000 1.314 1061 I HN -0.118 nan 8.210 nan 0.000 0.445 1062 Y N 6.406 126.718 120.300 0.020 0.000 2.457 1062 Y HA 0.626 5.173 4.550 -0.005 0.000 0.343 1062 Y C -1.072 174.814 175.900 -0.023 0.000 0.994 1062 Y CA -0.928 57.175 58.100 0.004 0.000 1.031 1062 Y CB 1.738 40.210 38.460 0.019 0.000 1.246 1062 Y HN 0.357 nan 8.280 nan 0.000 0.449 1063 I N 4.382 124.599 120.570 -0.587 0.000 2.433 1063 I HA 0.289 4.455 4.170 -0.006 0.000 0.292 1063 I C 0.408 175.967 176.117 -0.930 0.000 1.001 1063 I CA -0.384 60.541 61.300 -0.625 0.000 1.119 1063 I CB 2.125 39.746 38.000 -0.630 0.000 1.289 1063 I HN 0.700 nan 8.210 nan 0.000 0.438 1064 S N 4.796 120.155 115.700 -0.569 0.000 2.444 1064 S HA 0.173 4.640 4.470 -0.006 0.000 0.223 1064 S C 0.295 174.767 174.600 -0.213 0.000 1.054 1064 S CA 0.583 58.590 58.200 -0.322 0.000 0.947 1064 S CB 0.295 63.483 63.200 -0.019 0.000 0.850 1064 S HN 0.839 nan 8.310 nan 0.000 0.527 1065 E N -1.230 118.842 120.200 -0.214 0.000 2.402 1065 E HA 0.386 4.733 4.350 -0.006 0.000 0.270 1065 E C -1.659 174.832 176.600 -0.180 0.000 1.131 1065 E CA -1.012 55.307 56.400 -0.133 0.000 0.884 1065 E CB 0.691 30.367 29.700 -0.040 0.000 1.564 1065 E HN -0.004 nan 8.360 nan 0.000 0.456 1066 T N 1.032 115.511 114.554 -0.125 0.000 2.823 1066 T HA 0.687 5.034 4.350 -0.006 0.000 0.279 1066 T C -0.985 173.651 174.700 -0.108 0.000 0.998 1066 T CA -0.417 61.586 62.100 -0.162 0.000 0.994 1066 T CB 1.191 69.965 68.868 -0.157 0.000 0.960 1066 T HN 0.627 nan 8.240 nan 0.000 0.448 1067 S N 0.176 115.813 115.700 -0.105 0.000 2.535 1067 S HA 0.388 4.855 4.470 -0.006 0.000 0.272 1067 S C 0.827 175.388 174.600 -0.066 0.000 1.149 1067 S CA -0.707 57.445 58.200 -0.080 0.000 0.888 1067 S CB 1.281 64.443 63.200 -0.063 0.000 1.110 1067 S HN 0.691 nan 8.310 nan 0.000 0.463 1068 T N -0.847 113.669 114.554 -0.063 0.000 3.118 1068 T HA -0.029 4.318 4.350 -0.006 0.000 0.260 1068 T C 1.212 175.894 174.700 -0.030 0.000 1.139 1068 T CA 1.051 63.123 62.100 -0.047 0.000 1.085 1068 T CB -0.691 68.143 68.868 -0.056 0.000 0.934 1068 T HN 0.742 nan 8.240 nan 0.000 0.518 1069 N N 1.619 120.302 118.700 -0.029 0.000 2.373 1069 N HA -0.041 4.696 4.740 -0.006 0.000 0.181 1069 N C 1.528 177.042 175.510 0.007 0.000 1.082 1069 N CA 1.064 54.108 53.050 -0.011 0.000 0.885 1069 N CB -0.464 38.016 38.487 -0.013 0.000 0.977 1069 N HN 0.612 nan 8.380 nan 0.000 0.462 1070 T N -2.800 111.754 114.554 -0.001 0.000 3.021 1070 T HA 0.264 4.611 4.350 -0.006 0.000 0.245 1070 T C 0.505 175.209 174.700 0.007 0.000 1.028 1070 T CA 0.091 62.195 62.100 0.008 0.000 1.139 1070 T CB -0.098 68.762 68.868 -0.014 0.000 0.884 1070 T HN -0.093 nan 8.240 nan 0.000 0.457 1071 V N 4.356 124.268 119.914 -0.003 0.000 2.488 1071 V HA 0.492 4.609 4.120 -0.006 0.000 0.293 1071 V C -2.537 173.575 176.094 0.030 0.000 1.027 1071 V CA -1.929 60.389 62.300 0.030 0.000 0.862 1071 V CB 2.157 34.000 31.823 0.033 0.000 1.008 1071 V HN 0.333 nan 8.190 nan 0.000 0.428 1072 P HA 0.357 nan 4.420 nan 0.000 0.280 1072 P C -0.210 177.120 177.300 0.051 0.000 1.272 1072 P CA -0.372 62.744 63.100 0.028 0.000 0.819 1072 P CB 0.558 32.269 31.700 0.018 0.000 1.122 1073 N N -1.966 116.747 118.700 0.023 0.000 2.716 1073 N HA -0.138 4.599 4.740 -0.006 0.000 0.250 1073 N C -0.131 175.417 175.510 0.062 0.000 1.033 1073 N CA 1.000 54.066 53.050 0.027 0.000 0.727 1073 N CB -2.150 36.355 38.487 0.030 0.000 0.950 1073 N HN 0.610 nan 8.380 nan 0.000 0.541 1074 S N -1.815 113.920 115.700 0.059 0.000 2.586 1074 S HA 0.555 5.022 4.470 -0.006 0.000 0.274 1074 S C 0.596 175.231 174.600 0.059 0.000 1.281 1074 S CA -0.716 57.543 58.200 0.099 0.000 1.035 1074 S CB 1.947 65.216 63.200 0.115 0.000 0.962 1074 S HN 0.182 nan 8.310 nan 0.000 0.512 1075 S N 3.397 119.134 115.700 0.062 0.000 2.603 1075 S HA 0.391 4.858 4.470 -0.006 0.000 0.268 1075 S C -2.244 172.408 174.600 0.087 0.000 1.317 1075 S CA -0.925 57.261 58.200 -0.025 0.000 1.012 1075 S CB -0.182 62.874 63.200 -0.240 0.000 0.926 1075 S HN 0.723 nan 8.310 nan 0.000 0.539 1076 P HA 0.013 nan 4.420 nan 0.000 0.266 1076 P C -0.594 176.861 177.300 0.257 0.000 1.193 1076 P CA -0.020 63.165 63.100 0.142 0.000 0.770 1076 P CB -0.104 31.680 31.700 0.140 0.000 0.836 1077 T N 2.011 116.674 114.554 0.181 0.000 2.961 1077 T HA 0.444 4.790 4.350 -0.006 0.000 0.270 1077 T C 0.381 175.151 174.700 0.117 0.000 0.926 1077 T CA 0.301 62.512 62.100 0.186 0.000 1.112 1077 T CB -0.578 68.344 68.868 0.090 0.000 0.926 1077 T HN 0.595 nan 8.240 nan 0.000 0.612 1078 A N 2.146 125.039 122.820 0.121 0.000 2.568 1078 A HA 0.873 5.190 4.320 -0.006 0.000 0.291 1078 A C 0.638 178.003 177.584 -0.365 0.000 1.159 1078 A CA -0.362 51.641 52.037 -0.056 0.000 0.679 1078 A CB 0.263 19.276 19.000 0.021 0.000 1.285 1078 A HN 1.486 nan 8.150 nan 0.000 0.428 1079 A N -0.905 121.632 122.820 -0.472 0.000 2.816 1079 A HA 0.028 4.345 4.320 -0.006 0.000 0.270 1079 A C 1.222 178.609 177.584 -0.329 0.000 1.413 1079 A CA 1.853 53.545 52.037 -0.574 0.000 0.866 1079 A CB -2.405 15.824 19.000 -1.284 0.000 1.032 1079 A HN 2.485 nan 8.150 nan 0.000 0.642 1080 S N -4.846 110.736 115.700 -0.197 0.000 2.981 1080 S HA -0.355 4.112 4.470 -0.006 0.000 0.274 1080 S C 1.195 175.739 174.600 -0.092 0.000 1.297 1080 S CA 2.029 60.163 58.200 -0.110 0.000 1.266 1080 S CB -2.270 60.876 63.200 -0.089 0.000 1.542 1080 S HN 2.292 nan 8.310 nan 0.000 0.674 1081 V N -2.071 117.761 119.914 -0.138 0.000 3.650 1081 V HA 0.252 4.369 4.120 -0.006 0.000 0.271 1081 V C 1.755 177.820 176.094 -0.049 0.000 1.281 1081 V CA 1.000 63.248 62.300 -0.088 0.000 1.120 1081 V CB 0.141 31.895 31.823 -0.115 0.000 0.856 1081 V HN 0.359 nan 8.190 nan 0.000 0.443 1082 S N 1.938 117.640 115.700 0.003 0.000 2.372 1082 S HA -0.255 4.212 4.470 -0.006 0.000 0.227 1082 S C 1.995 176.649 174.600 0.090 0.000 1.044 1082 S CA 2.594 60.865 58.200 0.119 0.000 1.050 1082 S CB -0.728 62.625 63.200 0.255 0.000 0.901 1082 S HN 0.769 nan 8.310 nan 0.000 0.447 1083 T N 2.029 116.606 114.554 0.038 0.000 2.788 1083 T HA -0.106 4.240 4.350 -0.006 0.000 0.268 1083 T C 1.383 176.048 174.700 -0.059 0.000 1.044 1083 T CA 1.493 63.591 62.100 -0.004 0.000 1.139 1083 T CB -0.530 68.337 68.868 -0.002 0.000 0.867 1083 T HN 0.342 nan 8.240 nan 0.000 0.454 1084 D N 1.370 121.736 120.400 -0.057 0.000 2.078 1084 D HA -0.051 4.586 4.640 -0.006 0.000 0.193 1084 D C 2.196 178.356 176.300 -0.233 0.000 0.990 1084 D CA 1.133 55.072 54.000 -0.103 0.000 0.827 1084 D CB -0.446 40.360 40.800 0.010 0.000 0.975 1084 D HN 0.544 nan 8.370 nan 0.000 0.451 1085 I N -2.445 117.997 120.570 -0.213 0.000 2.333 1085 I HA -0.123 4.044 4.170 -0.006 0.000 0.246 1085 I C 2.005 177.933 176.117 -0.316 0.000 1.106 1085 I CA 0.910 62.053 61.300 -0.260 0.000 1.411 1085 I CB -0.735 37.151 38.000 -0.190 0.000 1.082 1085 I HN -0.065 nan 8.210 nan 0.000 0.420 1086 Y N 2.264 122.510 120.300 -0.091 0.000 2.314 1086 Y HA 0.048 4.595 4.550 -0.006 0.000 0.293 1086 Y C 2.830 178.614 175.900 -0.192 0.000 1.129 1086 Y CA 0.880 58.903 58.100 -0.127 0.000 1.201 1086 Y CB -0.553 37.809 38.460 -0.163 0.000 0.999 1086 Y HN 0.234 nan 8.280 nan 0.000 0.541 1087 G N -0.472 108.272 108.800 -0.092 0.000 2.422 1087 G HA2 -0.289 3.668 3.960 -0.006 0.000 0.218 1087 G HA3 -0.289 3.668 3.960 -0.006 0.000 0.218 1087 G C 1.471 176.267 174.900 -0.173 0.000 1.146 1087 G CA 0.884 45.902 45.100 -0.137 0.000 0.769 1087 G HN 0.254 nan 8.290 nan 0.000 0.547 1088 Q N 0.550 120.167 119.800 -0.304 0.000 2.079 1088 Q HA 0.187 4.524 4.340 -0.006 0.000 0.200 1088 Q C 2.725 178.664 176.000 -0.102 0.000 0.974 1088 Q CA 1.701 57.265 55.803 -0.398 0.000 0.840 1088 Q CB -0.559 27.528 28.738 -1.086 0.000 0.898 1088 Q HN 0.366 nan 8.270 nan 0.000 0.430 1089 A N -0.736 122.063 122.820 -0.034 0.000 1.873 1089 A HA -0.124 4.193 4.320 -0.006 0.000 0.215 1089 A C 2.275 179.916 177.584 0.095 0.000 1.186 1089 A CA 1.585 53.674 52.037 0.087 0.000 0.616 1089 A CB -0.942 18.125 19.000 0.112 0.000 0.823 1089 A HN 0.250 nan 8.150 nan 0.000 0.442 1090 V N -1.252 118.703 119.914 0.068 0.000 2.287 1090 V HA -0.313 3.804 4.120 -0.006 0.000 0.248 1090 V C 2.371 178.497 176.094 0.055 0.000 1.053 1090 V CA 2.292 64.623 62.300 0.053 0.000 1.027 1090 V CB -0.989 30.842 31.823 0.014 0.000 0.646 1090 V HN 0.730 nan 8.190 nan 0.000 0.447 1091 Y N 1.062 121.326 120.300 -0.061 0.000 2.165 1091 Y HA -0.226 4.321 4.550 -0.005 0.000 0.286 1091 Y C 2.600 178.492 175.900 -0.014 0.000 1.155 1091 Y CA 2.005 60.066 58.100 -0.065 0.000 1.164 1091 Y CB -0.046 38.306 38.460 -0.179 0.000 0.978 1091 Y HN 0.253 nan 8.280 nan 0.000 0.513 1092 E N 0.192 120.438 120.200 0.075 0.000 2.150 1092 E HA -0.142 4.204 4.350 -0.006 0.000 0.193 1092 E C 2.351 178.948 176.600 -0.005 0.000 0.985 1092 E CA 0.924 57.346 56.400 0.037 0.000 0.814 1092 E CB -0.487 29.299 29.700 0.143 0.000 0.752 1092 E HN 0.605 nan 8.360 nan 0.000 0.466 1093 A N 0.905 123.735 122.820 0.016 0.000 1.873 1093 A HA -0.178 4.139 4.320 -0.006 0.000 0.215 1093 A C 2.614 180.194 177.584 -0.006 0.000 1.186 1093 A CA 1.369 53.419 52.037 0.020 0.000 0.616 1093 A CB -0.971 18.048 19.000 0.033 0.000 0.823 1093 A HN 0.350 nan 8.150 nan 0.000 0.442 1094 C N -0.599 118.675 119.300 -0.044 0.000 2.403 1094 C HA -0.136 4.321 4.460 -0.006 0.000 0.279 1094 C C 2.875 177.815 174.990 -0.083 0.000 1.269 1094 C CA 1.239 60.225 59.018 -0.053 0.000 1.774 1094 C CB -1.174 26.500 27.740 -0.110 0.000 1.993 1094 C HN 0.584 nan 8.230 nan 0.000 0.496 1095 Q N 0.054 119.749 119.800 -0.174 0.000 2.096 1095 Q HA -0.087 4.250 4.340 -0.006 0.000 0.197 1095 Q C 2.303 178.277 176.000 -0.044 0.000 0.964 1095 Q CA 1.688 57.400 55.803 -0.152 0.000 0.838 1095 Q CB -0.894 27.712 28.738 -0.220 0.000 0.906 1095 Q HN 0.657 nan 8.270 nan 0.000 0.444 1096 T N 1.753 116.296 114.554 -0.018 0.000 2.788 1096 T HA -0.059 4.287 4.350 -0.006 0.000 0.268 1096 T C 2.016 176.735 174.700 0.032 0.000 1.044 1096 T CA 0.832 62.941 62.100 0.014 0.000 1.139 1096 T CB -0.146 68.737 68.868 0.025 0.000 0.867 1096 T HN 0.183 nan 8.240 nan 0.000 0.454 1097 I N 0.615 121.213 120.570 0.047 0.000 2.315 1097 I HA -0.107 4.059 4.170 -0.006 0.000 0.248 1097 I C 2.219 178.393 176.117 0.095 0.000 1.117 1097 I CA 1.103 62.452 61.300 0.082 0.000 1.404 1097 I CB -0.328 37.750 38.000 0.130 0.000 1.071 1097 I HN 0.206 nan 8.210 nan 0.000 0.419 1098 L N 0.521 121.796 121.223 0.087 0.000 2.093 1098 L HA -0.189 4.147 4.340 -0.006 0.000 0.208 1098 L C 2.618 179.503 176.870 0.026 0.000 1.085 1098 L CA 1.170 56.059 54.840 0.081 0.000 0.755 1098 L CB -0.544 41.551 42.059 0.059 0.000 0.904 1098 L HN 0.233 nan 8.230 nan 0.000 0.435 1099 K N 0.274 120.683 120.400 0.015 0.000 2.057 1099 K HA -0.135 4.181 4.320 -0.006 0.000 0.206 1099 K C 2.083 178.686 176.600 0.005 0.000 1.050 1099 K CA 1.115 57.401 56.287 -0.002 0.000 0.935 1099 K CB -0.299 32.201 32.500 0.001 0.000 0.715 1099 K HN 0.354 nan 8.250 nan 0.000 0.439 1100 R N 0.713 121.235 120.500 0.036 0.000 2.189 1100 R HA 0.059 4.396 4.340 -0.006 0.000 0.223 1100 R C 2.271 178.660 176.300 0.149 0.000 1.092 1100 R CA 0.596 56.740 56.100 0.073 0.000 0.989 1100 R CB -0.138 30.204 30.300 0.071 0.000 0.876 1100 R HN 0.149 nan 8.270 nan 0.000 0.457 1101 L N -0.181 121.105 121.223 0.105 0.000 2.416 1101 L HA -0.004 4.333 4.340 -0.006 0.000 0.216 1101 L C 2.173 179.062 176.870 0.033 0.000 1.098 1101 L CA 0.301 55.233 54.840 0.154 0.000 0.840 1101 L CB -0.051 42.023 42.059 0.025 0.000 0.981 1101 L HN 0.053 nan 8.230 nan 0.000 0.462 1102 E N 1.252 121.401 120.200 -0.085 0.000 2.097 1102 E HA -0.200 4.147 4.350 -0.006 0.000 0.196 1102 E C -0.724 175.708 176.600 -0.279 0.000 1.000 1102 E CA 1.707 57.991 56.400 -0.194 0.000 0.804 1102 E CB -0.972 28.646 29.700 -0.136 0.000 0.740 1102 E HN 0.244 nan 8.360 nan 0.000 0.454 1103 P HA -0.143 nan 4.420 nan 0.000 0.216 1103 P C 0.835 177.771 177.300 -0.606 0.000 1.150 1103 P CA 1.413 64.179 63.100 -0.557 0.000 0.843 1103 P CB -0.162 31.046 31.700 -0.819 0.000 0.787 1104 F N -0.315 119.525 119.950 -0.183 0.000 2.234 1104 F HA 0.027 4.551 4.527 -0.006 0.000 0.296 1104 F C 2.220 177.807 175.800 -0.354 0.000 1.089 1104 F CA 0.919 58.821 58.000 -0.164 0.000 1.343 1104 F CB -0.824 38.123 39.000 -0.088 0.000 1.040 1104 F HN -0.217 nan 8.300 nan 0.000 0.498 1105 K N 0.811 120.852 120.400 -0.599 0.000 2.032 1105 K HA -0.184 4.132 4.320 -0.006 0.000 0.209 1105 K C 1.997 178.401 176.600 -0.327 0.000 1.048 1105 K CA 1.448 57.175 56.287 -0.934 0.000 0.927 1105 K CB -0.205 31.659 32.500 -1.060 0.000 0.712 1105 K HN 0.167 nan 8.250 nan 0.000 0.441 1106 K N 1.107 121.357 120.400 -0.250 0.000 2.009 1106 K HA -0.178 4.139 4.320 -0.006 0.000 0.210 1106 K C 1.993 178.551 176.600 -0.069 0.000 1.049 1106 K CA 1.684 57.888 56.287 -0.140 0.000 0.929 1106 K CB -0.047 32.361 32.500 -0.154 0.000 0.714 1106 K HN 0.064 nan 8.250 nan 0.000 0.440 1107 K N 0.136 120.496 120.400 -0.068 0.000 2.152 1107 K HA -0.138 4.179 4.320 -0.006 0.000 0.206 1107 K C 0.830 177.482 176.600 0.086 0.000 1.048 1107 K CA 1.020 57.312 56.287 0.008 0.000 0.933 1107 K CB -0.046 32.470 32.500 0.026 0.000 0.721 1107 K HN 0.014 nan 8.250 nan 0.000 0.447 1108 N N -0.598 118.195 118.700 0.155 0.000 2.687 1108 N HA 0.149 4.886 4.740 -0.006 0.000 0.275 1108 N C -2.527 173.234 175.510 0.418 0.000 1.789 1108 N CA -1.805 51.416 53.050 0.284 0.000 0.806 1108 N CB 0.953 39.676 38.487 0.393 0.000 1.256 1108 N HN -0.214 nan 8.380 nan 0.000 0.500 1109 P HA 0.021 nan 4.420 nan 0.000 0.219 1109 P C 0.057 177.552 177.300 0.326 0.000 1.150 1109 P CA 1.077 64.332 63.100 0.257 0.000 0.814 1109 P CB 0.372 32.146 31.700 0.124 0.000 0.787 1110 D N -0.672 119.863 120.400 0.225 0.000 2.325 1110 D HA 0.156 4.793 4.640 -0.006 0.000 0.234 1110 D C 1.236 177.605 176.300 0.116 0.000 1.122 1110 D CA 0.313 54.406 54.000 0.155 0.000 0.850 1110 D CB -0.236 40.622 40.800 0.096 0.000 0.921 1110 D HN 0.119 nan 8.370 nan 0.000 0.513 1111 G N -0.133 108.766 108.800 0.166 0.000 2.642 1111 G HA2 0.467 4.423 3.960 -0.006 0.000 0.291 1111 G HA3 0.467 4.423 3.960 -0.006 0.000 0.291 1111 G C -0.130 174.514 174.900 -0.428 0.000 1.345 1111 G CA -0.401 44.668 45.100 -0.052 0.000 1.043 1111 G HN 0.153 nan 8.290 nan 0.000 0.528 1112 S N -1.434 113.867 115.700 -0.664 0.000 2.664 1112 S HA 0.252 4.719 4.470 -0.006 0.000 0.304 1112 S C 0.926 174.815 174.600 -1.185 0.000 1.099 1112 S CA -0.542 57.199 58.200 -0.764 0.000 1.003 1112 S CB 1.494 64.497 63.200 -0.330 0.000 1.092 1112 S HN 0.822 nan 8.310 nan 0.000 0.525 1113 W N 1.649 122.402 121.300 -0.912 0.000 2.321 1113 W HA -0.194 4.463 4.660 -0.005 0.000 0.306 1113 W C 1.014 177.424 176.519 -0.182 0.000 1.217 1113 W CA 2.364 59.462 57.345 -0.412 0.000 1.257 1113 W CB -0.521 28.871 29.460 -0.113 0.000 1.145 1113 W HN 0.870 nan 8.180 nan 0.000 0.509 1114 E N 0.774 120.882 120.200 -0.153 0.000 2.072 1114 E HA -0.195 4.152 4.350 -0.006 0.000 0.191 1114 E C 1.725 178.216 176.600 -0.183 0.000 0.985 1114 E CA 1.935 58.250 56.400 -0.143 0.000 0.801 1114 E CB -0.665 29.013 29.700 -0.036 0.000 0.750 1114 E HN 0.170 nan 8.360 nan 0.000 0.452 1115 D N -0.428 119.835 120.400 -0.228 0.000 2.092 1115 D HA -0.175 4.461 4.640 -0.006 0.000 0.193 1115 D C 1.671 177.944 176.300 -0.044 0.000 0.994 1115 D CA 0.926 54.833 54.000 -0.155 0.000 0.828 1115 D CB -0.288 40.393 40.800 -0.199 0.000 0.963 1115 D HN 0.293 nan 8.370 nan 0.000 0.450 1116 W N 1.069 122.294 121.300 -0.126 0.000 2.381 1116 W HA -0.033 4.624 4.660 -0.006 0.000 0.301 1116 W C 2.410 178.717 176.519 -0.353 0.000 1.205 1116 W CA 0.037 57.284 57.345 -0.163 0.000 1.285 1116 W CB -1.315 28.078 29.460 -0.111 0.000 1.133 1116 W HN -0.137 nan 8.180 nan 0.000 0.521 1117 V N 0.740 120.520 119.914 -0.223 0.000 2.295 1117 V HA -0.346 3.771 4.120 -0.006 0.000 0.246 1117 V C 2.308 178.273 176.094 -0.215 0.000 1.049 1117 V CA 2.272 64.361 62.300 -0.353 0.000 1.024 1117 V CB -0.965 30.537 31.823 -0.535 0.000 0.648 1117 V HN 0.031 nan 8.190 nan 0.000 0.447 1118 M N 0.691 120.203 119.600 -0.147 0.000 2.080 1118 M HA -0.110 4.367 4.480 -0.006 0.000 0.260 1118 M C 2.104 178.352 176.300 -0.087 0.000 1.068 1118 M CA 2.206 57.470 55.300 -0.061 0.000 1.109 1118 M CB -0.853 31.723 32.600 -0.039 0.000 1.342 1118 M HN 0.279 nan 8.290 nan 0.000 0.405 1119 A N -0.539 122.192 122.820 -0.148 0.000 1.940 1119 A HA -0.039 4.278 4.320 -0.006 0.000 0.219 1119 A C 2.319 179.513 177.584 -0.651 0.000 1.176 1119 A CA 2.160 54.054 52.037 -0.239 0.000 0.631 1119 A CB -1.340 17.615 19.000 -0.075 0.000 0.814 1119 A HN 0.635 nan 8.150 nan 0.000 0.446 1120 A N -1.748 120.539 122.820 -0.889 0.000 1.929 1120 A HA 0.018 4.334 4.320 -0.006 0.000 0.216 1120 A C 2.106 179.464 177.584 -0.377 0.000 1.176 1120 A CA 1.456 52.885 52.037 -1.012 0.000 0.628 1120 A CB -0.719 17.845 19.000 -0.727 0.000 0.816 1120 A HN 0.708 nan 8.150 nan 0.000 0.444 1121 Y N 0.739 120.859 120.300 -0.300 0.000 2.114 1121 Y HA -0.227 4.320 4.550 -0.006 0.000 0.284 1121 Y C 2.365 178.190 175.900 -0.125 0.000 1.143 1121 Y CA 2.337 60.337 58.100 -0.167 0.000 1.135 1121 Y CB -0.451 37.934 38.460 -0.124 0.000 0.980 1121 Y HN 0.403 nan 8.280 nan 0.000 0.499 1122 Q N -0.796 118.874 119.800 -0.216 0.000 2.437 1122 Q HA -0.162 4.175 4.340 -0.006 0.000 0.210 1122 Q C 0.803 176.686 176.000 -0.195 0.000 0.972 1122 Q CA 1.277 56.941 55.803 -0.230 0.000 0.903 1122 Q CB -0.062 28.643 28.738 -0.055 0.000 0.967 1122 Q HN 0.446 nan 8.270 nan 0.000 0.486 1123 D N -0.130 120.165 120.400 -0.175 0.000 2.342 1123 D HA 0.065 4.702 4.640 -0.006 0.000 0.221 1123 D C -0.520 175.735 176.300 -0.076 0.000 1.101 1123 D CA -0.111 53.856 54.000 -0.054 0.000 0.837 1123 D CB 0.186 41.064 40.800 0.130 0.000 0.938 1123 D HN 0.009 nan 8.370 nan 0.000 0.508 1124 R N -0.704 119.677 120.500 -0.197 0.000 3.333 1124 R HA -0.132 4.204 4.340 -0.006 0.000 0.256 1124 R C -0.810 175.443 176.300 -0.078 0.000 1.010 1124 R CA 0.089 56.081 56.100 -0.180 0.000 0.680 1124 R CB -2.202 28.014 30.300 -0.141 0.000 1.102 1124 R HN 0.034 nan 8.270 nan 0.000 0.440 1125 V N 0.918 120.796 119.914 -0.060 0.000 2.407 1125 V HA 0.174 4.290 4.120 -0.006 0.000 0.278 1125 V C 0.952 177.042 176.094 -0.006 0.000 1.037 1125 V CA -0.246 62.057 62.300 0.006 0.000 0.900 1125 V CB 1.808 33.683 31.823 0.087 0.000 0.983 1125 V HN 0.369 nan 8.190 nan 0.000 0.459 1126 S N 4.583 120.291 115.700 0.013 0.000 2.560 1126 S HA 0.277 4.744 4.470 -0.006 0.000 0.284 1126 S C 0.279 174.892 174.600 0.022 0.000 1.327 1126 S CA -0.183 58.030 58.200 0.021 0.000 1.055 1126 S CB 0.127 63.341 63.200 0.024 0.000 0.868 1126 S HN 0.582 nan 8.310 nan 0.000 0.506 1127 L N 4.002 125.236 121.223 0.018 0.000 3.141 1127 L HA 0.364 4.701 4.340 -0.006 0.000 0.267 1127 L C 0.245 177.130 176.870 0.025 0.000 1.281 1127 L CA -0.187 54.657 54.840 0.006 0.000 1.037 1127 L CB 0.611 42.654 42.059 -0.027 0.000 1.407 1127 L HN 0.537 nan 8.230 nan 0.000 0.566 1128 S N -0.459 115.275 115.700 0.057 0.000 2.557 1128 S HA 0.743 5.210 4.470 -0.006 0.000 0.291 1128 S C -0.698 173.961 174.600 0.098 0.000 1.116 1128 S CA -0.289 57.994 58.200 0.137 0.000 0.992 1128 S CB 1.970 65.262 63.200 0.154 0.000 1.028 1128 S HN 0.079 nan 8.310 nan 0.000 0.484 1129 T N 2.204 116.809 114.554 0.085 0.000 3.012 1129 T HA 0.565 4.912 4.350 -0.006 0.000 0.330 1129 T C -0.554 174.175 174.700 0.047 0.000 1.321 1129 T CA -0.329 61.806 62.100 0.059 0.000 1.067 1129 T CB 1.347 70.245 68.868 0.050 0.000 1.235 1129 T HN 0.900 nan 8.240 nan 0.000 0.479 1130 T N 1.198 115.787 114.554 0.057 0.000 2.882 1130 T HA 0.753 5.099 4.350 -0.006 0.000 0.287 1130 T C 0.569 175.327 174.700 0.096 0.000 1.014 1130 T CA -0.293 61.852 62.100 0.074 0.000 1.049 1130 T CB 1.251 70.169 68.868 0.083 0.000 1.001 1130 T HN 0.891 nan 8.240 nan 0.000 0.525 1131 G N 0.041 108.922 108.800 0.135 0.000 2.605 1131 G HA2 0.700 4.657 3.960 -0.006 0.000 0.296 1131 G HA3 0.700 4.657 3.960 -0.006 0.000 0.296 1131 G C -2.040 173.038 174.900 0.296 0.000 1.304 1131 G CA -0.964 44.241 45.100 0.175 0.000 0.941 1131 G HN 0.762 nan 8.290 nan 0.000 0.475 1132 F N -0.264 119.752 119.950 0.110 0.000 2.693 1132 F HA 0.700 5.223 4.527 -0.005 0.000 0.309 1132 F C -1.977 173.935 175.800 0.187 0.000 1.129 1132 F CA -0.931 57.143 58.000 0.123 0.000 0.948 1132 F CB 2.310 41.353 39.000 0.073 0.000 1.315 1132 F HN 0.623 nan 8.300 nan 0.000 0.447 1133 Y N 3.526 123.617 120.300 -0.348 0.000 2.552 1133 Y HA 0.621 5.168 4.550 -0.006 0.000 0.337 1133 Y C -1.692 173.999 175.900 -0.348 0.000 1.094 1133 Y CA -1.026 56.946 58.100 -0.212 0.000 1.028 1133 Y CB 1.593 39.943 38.460 -0.183 0.000 1.321 1133 Y HN 0.714 nan 8.280 nan 0.000 0.456 1134 R N 3.504 123.407 120.500 -0.995 0.000 2.502 1134 R HA 0.415 4.752 4.340 -0.006 0.000 0.298 1134 R C -1.435 174.243 176.300 -1.037 0.000 1.018 1134 R CA -0.477 55.221 56.100 -0.670 0.000 0.899 1134 R CB 1.522 31.681 30.300 -0.235 0.000 1.181 1134 R HN 0.807 nan 8.270 nan 0.000 0.444 1135 T N 7.137 121.249 114.554 -0.737 0.000 2.817 1135 T HA 0.162 4.509 4.350 -0.006 0.000 0.295 1135 T C -2.082 172.411 174.700 -0.347 0.000 0.958 1135 T CA -0.530 61.240 62.100 -0.549 0.000 1.157 1135 T CB 0.747 69.415 68.868 -0.333 0.000 0.898 1135 T HN 0.447 nan 8.240 nan 0.000 0.536 1136 P HA 0.286 nan 4.420 nan 0.000 0.279 1136 P C -0.327 176.963 177.300 -0.016 0.000 1.252 1136 P CA -0.576 62.460 63.100 -0.106 0.000 0.811 1136 P CB 0.559 32.241 31.700 -0.030 0.000 1.035 1137 N N -0.856 117.846 118.700 0.004 0.000 2.754 1137 N HA -0.136 4.601 4.740 -0.006 0.000 0.248 1137 N C -0.712 174.817 175.510 0.032 0.000 1.093 1137 N CA 0.805 53.875 53.050 0.034 0.000 0.699 1137 N CB -1.971 36.558 38.487 0.071 0.000 1.016 1137 N HN 0.477 nan 8.380 nan 0.000 0.552 1138 L N -0.552 120.671 121.223 0.001 0.000 2.334 1138 L HA 0.742 5.079 4.340 -0.006 0.000 0.276 1138 L C 1.013 177.880 176.870 -0.004 0.000 1.014 1138 L CA -0.478 54.355 54.840 -0.011 0.000 0.815 1138 L CB 2.028 44.065 42.059 -0.037 0.000 1.268 1138 L HN 0.264 nan 8.230 nan 0.000 0.428 1139 G N 1.688 110.490 108.800 0.003 0.000 3.583 1139 G HA2 -0.084 3.872 3.960 -0.006 0.000 0.233 1139 G HA3 -0.084 3.872 3.960 -0.006 0.000 0.233 1139 G C -1.154 173.767 174.900 0.035 0.000 3.737 1139 G CA -0.724 44.391 45.100 0.024 0.000 0.625 1139 G HN 0.449 nan 8.290 nan 0.000 0.309 1140 Y N 1.833 122.098 120.300 -0.059 0.000 2.526 1140 Y HA 0.559 5.106 4.550 -0.005 0.000 0.330 1140 Y C 0.514 176.443 175.900 0.049 0.000 1.156 1140 Y CA 0.553 58.626 58.100 -0.044 0.000 1.419 1140 Y CB 1.255 39.628 38.460 -0.145 0.000 1.250 1140 Y HN 0.282 nan 8.280 nan 0.000 0.540 1141 S N 5.534 120.756 115.700 -0.798 0.000 2.451 1141 S HA 0.339 4.806 4.470 -0.006 0.000 0.301 1141 S C 0.406 174.533 174.600 -0.788 0.000 1.116 1141 S CA -0.691 57.207 58.200 -0.503 0.000 1.093 1141 S CB 0.311 63.344 63.200 -0.278 0.000 1.017 1141 S HN 0.730 nan 8.310 nan 0.000 0.482 1142 F N 2.674 122.464 119.950 -0.266 0.000 2.118 1142 F HA 0.093 4.616 4.527 -0.006 0.000 0.293 1142 F C 1.704 177.477 175.800 -0.044 0.000 1.102 1142 F CA 0.709 58.691 58.000 -0.031 0.000 1.247 1142 F CB -0.318 38.748 39.000 0.110 0.000 1.017 1142 F HN 0.610 nan 8.300 nan 0.000 0.475 1143 E N 0.394 120.666 120.200 0.120 0.000 2.425 1143 E HA -0.036 4.311 4.350 -0.006 0.000 0.258 1143 E C 1.198 177.773 176.600 -0.041 0.000 1.151 1143 E CA 1.028 57.452 56.400 0.040 0.000 0.958 1143 E CB 0.127 29.848 29.700 0.035 0.000 0.968 1143 E HN 0.417 nan 8.360 nan 0.000 0.451 1144 T N 0.532 115.066 114.554 -0.034 0.000 10.649 1144 T HA -0.427 3.920 4.350 -0.006 0.000 0.405 1144 T C 0.717 175.362 174.700 -0.091 0.000 1.545 1144 T CA 2.339 64.402 62.100 -0.062 0.000 2.508 1144 T CB -1.846 66.976 68.868 -0.075 0.000 2.850 1144 T HN 1.033 nan 8.240 nan 0.000 1.062 1145 N N 1.090 119.695 118.700 -0.158 0.000 2.705 1145 N HA -0.180 4.557 4.740 -0.006 0.000 0.255 1145 N C -0.281 175.163 175.510 -0.109 0.000 1.008 1145 N CA 2.071 55.035 53.050 -0.143 0.000 0.742 1145 N CB -1.359 37.159 38.487 0.050 0.000 0.906 1145 N HN 1.838 nan 8.380 nan 0.000 0.541 1146 S N -1.469 114.043 115.700 -0.313 0.000 2.671 1146 S HA 0.898 5.365 4.470 -0.006 0.000 0.277 1146 S C 0.202 174.724 174.600 -0.130 0.000 1.165 1146 S CA -0.037 58.098 58.200 -0.108 0.000 0.822 1146 S CB 1.641 64.800 63.200 -0.069 0.000 1.150 1146 S HN 1.586 nan 8.310 nan 0.000 0.479 1147 G N 1.116 109.924 108.800 0.013 0.000 2.721 1147 G HA2 -0.057 3.899 3.960 -0.006 0.000 0.686 1147 G HA3 -0.057 3.899 3.960 -0.006 0.000 0.686 1147 G C -1.200 173.780 174.900 0.133 0.000 1.236 1147 G CA -0.987 44.133 45.100 0.034 0.000 0.786 1147 G HN 0.887 nan 8.290 nan 0.000 0.616 1148 N N 0.482 119.226 118.700 0.074 0.000 2.452 1148 N HA 0.391 5.127 4.740 -0.006 0.000 0.266 1148 N C 1.302 176.768 175.510 -0.075 0.000 1.209 1148 N CA 0.611 53.688 53.050 0.044 0.000 0.929 1148 N CB 1.494 40.002 38.487 0.033 0.000 1.063 1148 N HN 1.065 nan 8.380 nan 0.000 0.472 1149 A N 2.871 125.507 122.820 -0.306 0.000 2.021 1149 A HA 0.184 4.501 4.320 -0.006 0.000 0.216 1149 A C 0.127 177.043 177.584 -1.113 0.000 1.163 1149 A CA 0.746 52.200 52.037 -0.971 0.000 0.676 1149 A CB 0.096 17.782 19.000 -2.190 0.000 0.818 1149 A HN 0.572 nan 8.150 nan 0.000 0.453 1150 F N -3.697 116.069 119.950 -0.306 0.000 2.603 1150 F HA 0.457 4.980 4.527 -0.005 0.000 0.317 1150 F C 0.966 176.614 175.800 -0.253 0.000 1.066 1150 F CA -0.795 56.958 58.000 -0.411 0.000 0.941 1150 F CB 1.265 39.796 39.000 -0.782 0.000 1.291 1150 F HN 0.108 nan 8.300 nan 0.000 0.472 1151 H N 0.500 119.482 119.070 -0.147 0.000 2.448 1151 H HA 0.119 4.671 4.556 -0.005 0.000 0.292 1151 H C -0.869 174.507 175.328 0.079 0.000 1.035 1151 H CA 1.301 57.338 56.048 -0.018 0.000 1.349 1151 H CB 0.252 30.049 29.762 0.059 0.000 1.425 1151 H HN 0.533 nan 8.280 nan 0.000 0.539 1152 Y N -4.212 115.932 120.300 -0.261 0.000 2.952 1152 Y HA 0.414 4.960 4.550 -0.006 0.000 0.346 1152 Y C -1.931 173.584 175.900 -0.642 0.000 1.388 1152 Y CA -2.076 55.828 58.100 -0.326 0.000 1.097 1152 Y CB 0.578 38.928 38.460 -0.183 0.000 1.732 1152 Y HN -0.202 nan 8.280 nan 0.000 0.431 1153 F N 0.357 120.331 119.950 0.039 0.000 2.551 1153 F HA 0.690 5.214 4.527 -0.005 0.000 0.316 1153 F C -0.228 175.307 175.800 -0.441 0.000 1.089 1153 F CA -0.847 56.949 58.000 -0.341 0.000 0.915 1153 F CB 2.668 41.384 39.000 -0.474 0.000 1.186 1153 F HN 0.486 nan 8.300 nan 0.000 0.456 1154 T N 2.051 116.472 114.554 -0.222 0.000 2.867 1154 T HA 0.556 4.903 4.350 -0.006 0.000 0.282 1154 T C -1.247 173.297 174.700 -0.260 0.000 1.000 1154 T CA -0.462 61.551 62.100 -0.145 0.000 1.042 1154 T CB 0.635 69.532 68.868 0.049 0.000 0.973 1154 T HN 0.335 nan 8.240 nan 0.000 0.465 1155 Y N 0.026 120.411 120.300 0.142 0.000 2.545 1155 Y HA 0.715 5.261 4.550 -0.006 0.000 0.348 1155 Y C 0.616 176.561 175.900 0.076 0.000 1.002 1155 Y CA -0.910 57.239 58.100 0.081 0.000 1.039 1155 Y CB 2.644 41.076 38.460 -0.047 0.000 1.271 1155 Y HN 0.923 nan 8.280 nan 0.000 0.467 1156 G N 0.053 109.006 108.800 0.255 0.000 2.600 1156 G HA2 0.621 4.578 3.960 -0.006 0.000 0.293 1156 G HA3 0.621 4.578 3.960 -0.006 0.000 0.293 1156 G C -2.348 172.668 174.900 0.195 0.000 1.408 1156 G CA -0.791 44.419 45.100 0.184 0.000 0.782 1156 G HN 0.465 nan 8.290 nan 0.000 0.482 1157 V N -0.206 119.800 119.914 0.153 0.000 2.777 1157 V HA 0.769 4.886 4.120 -0.006 0.000 0.306 1157 V C -0.110 176.023 176.094 0.064 0.000 1.112 1157 V CA -0.370 62.025 62.300 0.159 0.000 0.917 1157 V CB 1.441 33.379 31.823 0.192 0.000 1.018 1157 V HN 1.572 nan 8.190 nan 0.000 0.426 1158 A N 2.959 125.813 122.820 0.056 0.000 2.355 1158 A HA 0.789 5.106 4.320 -0.006 0.000 0.317 1158 A C -0.636 176.928 177.584 -0.034 0.000 1.094 1158 A CA -0.482 51.557 52.037 0.002 0.000 0.764 1158 A CB 1.545 20.579 19.000 0.056 0.000 1.230 1158 A HN 1.142 nan 8.150 nan 0.000 0.448 1159 C N 2.306 121.563 119.300 -0.071 0.000 2.319 1159 C HA 0.806 5.263 4.460 -0.006 0.000 0.323 1159 C C -0.096 174.885 174.990 -0.015 0.000 1.277 1159 C CA -0.170 58.813 59.018 -0.058 0.000 1.517 1159 C CB -0.216 27.467 27.740 -0.096 0.000 2.206 1159 C HN 0.790 nan 8.230 nan 0.000 0.486 1160 S N 4.045 119.763 115.700 0.030 0.000 2.500 1160 S HA 0.512 4.979 4.470 -0.006 0.000 0.301 1160 S C -0.988 173.626 174.600 0.024 0.000 1.092 1160 S CA -0.407 57.814 58.200 0.035 0.000 1.030 1160 S CB 1.545 64.800 63.200 0.092 0.000 1.031 1160 S HN 0.889 nan 8.310 nan 0.000 0.483 1161 E N 2.158 122.355 120.200 -0.006 0.000 2.183 1161 E HA 0.637 4.984 4.350 -0.006 0.000 0.271 1161 E C -0.881 175.702 176.600 -0.029 0.000 0.919 1161 E CA -0.785 55.596 56.400 -0.032 0.000 0.781 1161 E CB 1.158 30.819 29.700 -0.066 0.000 1.140 1161 E HN 0.498 nan 8.360 nan 0.000 0.402 1162 V N 0.584 120.475 119.914 -0.037 0.000 3.126 1162 V HA 0.661 4.778 4.120 -0.006 0.000 0.314 1162 V C -0.871 175.187 176.094 -0.061 0.000 1.138 1162 V CA -0.894 61.397 62.300 -0.015 0.000 1.034 1162 V CB 1.818 33.646 31.823 0.007 0.000 1.075 1162 V HN 0.829 nan 8.190 nan 0.000 0.442 1163 E N 1.677 121.859 120.200 -0.031 0.000 2.241 1163 E HA 0.612 4.959 4.350 -0.006 0.000 0.263 1163 E C -0.905 175.725 176.600 0.050 0.000 0.882 1163 E CA -0.883 55.486 56.400 -0.051 0.000 0.769 1163 E CB 2.001 31.629 29.700 -0.121 0.000 1.185 1163 E HN 0.967 nan 8.360 nan 0.000 0.415 1164 I N 0.810 121.421 120.570 0.068 0.000 2.566 1164 I HA 0.527 4.693 4.170 -0.006 0.000 0.303 1164 I C -0.445 175.743 176.117 0.119 0.000 0.983 1164 I CA -0.693 60.667 61.300 0.100 0.000 1.235 1164 I CB 1.609 39.651 38.000 0.069 0.000 1.386 1164 I HN 0.392 nan 8.210 nan 0.000 0.494 1165 D N 4.800 125.265 120.400 0.108 0.000 2.443 1165 D HA 0.267 4.904 4.640 -0.006 0.000 0.221 1165 D C 0.576 176.948 176.300 0.120 0.000 1.097 1165 D CA -0.489 53.580 54.000 0.114 0.000 0.865 1165 D CB 1.366 42.207 40.800 0.069 0.000 1.034 1165 D HN 0.756 nan 8.370 nan 0.000 0.511 1166 C N 3.205 122.612 119.300 0.179 0.000 2.419 1166 C HA -0.028 4.429 4.460 -0.006 0.000 0.283 1166 C C 2.536 177.645 174.990 0.199 0.000 1.373 1166 C CA 0.043 59.185 59.018 0.207 0.000 1.781 1166 C CB -0.865 27.048 27.740 0.288 0.000 1.886 1166 C HN 0.654 nan 8.230 nan 0.000 0.520 1167 L N 0.911 122.217 121.223 0.138 0.000 2.446 1167 L HA -0.007 4.329 4.340 -0.006 0.000 0.219 1167 L C 2.584 179.415 176.870 -0.064 0.000 1.116 1167 L CA 1.639 56.463 54.840 -0.026 0.000 0.844 1167 L CB -0.294 41.642 42.059 -0.204 0.000 0.970 1167 L HN 0.567 nan 8.230 nan 0.000 0.457 1168 T N -6.169 108.374 114.554 -0.018 0.000 2.987 1168 T HA 0.308 4.655 4.350 -0.006 0.000 0.248 1168 T C 1.466 176.164 174.700 -0.004 0.000 0.997 1168 T CA 0.628 62.709 62.100 -0.032 0.000 1.013 1168 T CB 1.087 69.933 68.868 -0.037 0.000 1.077 1168 T HN 0.251 nan 8.240 nan 0.000 0.483 1169 G N 1.512 110.327 108.800 0.024 0.000 2.232 1169 G HA2 -0.171 3.786 3.960 -0.006 0.000 0.226 1169 G HA3 -0.171 3.786 3.960 -0.006 0.000 0.226 1169 G C -0.327 174.608 174.900 0.058 0.000 0.996 1169 G CA -0.003 45.118 45.100 0.035 0.000 0.626 1169 G HN 0.615 nan 8.290 nan 0.000 0.509 1170 D N 1.641 122.066 120.400 0.041 0.000 2.368 1170 D HA 0.535 5.171 4.640 -0.006 0.000 0.240 1170 D C 0.794 177.154 176.300 0.099 0.000 1.169 1170 D CA 0.869 54.891 54.000 0.037 0.000 0.906 1170 D CB 0.400 41.188 40.800 -0.019 0.000 1.187 1170 D HN 0.733 nan 8.370 nan 0.000 0.435 1171 H N -2.206 116.846 119.070 -0.031 0.000 2.980 1171 H HA 0.459 5.012 4.556 -0.006 0.000 0.367 1171 H C -1.179 174.124 175.328 -0.041 0.000 1.206 1171 H CA -0.985 55.042 56.048 -0.034 0.000 1.126 1171 H CB 1.407 31.142 29.762 -0.046 0.000 1.838 1171 H HN 0.311 nan 8.280 nan 0.000 0.552 1172 K N 2.130 122.498 120.400 -0.054 0.000 2.221 1172 K HA 0.359 4.676 4.320 -0.006 0.000 0.258 1172 K C -0.811 175.797 176.600 0.013 0.000 0.944 1172 K CA -1.049 55.178 56.287 -0.101 0.000 0.823 1172 K CB 1.616 34.074 32.500 -0.070 0.000 1.113 1172 K HN 0.383 nan 8.250 nan 0.000 0.431 1173 N N 3.357 122.047 118.700 -0.016 0.000 2.406 1173 N HA 0.120 4.857 4.740 -0.006 0.000 0.251 1173 N C 0.496 175.989 175.510 -0.027 0.000 1.069 1173 N CA -0.112 52.952 53.050 0.023 0.000 0.947 1173 N CB 1.107 39.597 38.487 0.005 0.000 1.111 1173 N HN 0.576 nan 8.380 nan 0.000 0.497 1174 L N 1.405 122.611 121.223 -0.028 0.000 2.221 1174 L HA 0.218 4.555 4.340 -0.006 0.000 0.202 1174 L C 0.929 177.775 176.870 -0.040 0.000 1.074 1174 L CA 0.539 55.351 54.840 -0.046 0.000 0.795 1174 L CB 0.241 42.256 42.059 -0.073 0.000 0.960 1174 L HN 0.412 nan 8.230 nan 0.000 0.458 1175 R N -0.806 119.671 120.500 -0.038 0.000 2.579 1175 R HA 0.345 4.682 4.340 -0.006 0.000 0.260 1175 R C -1.755 174.523 176.300 -0.037 0.000 1.103 1175 R CA -0.259 55.822 56.100 -0.031 0.000 0.942 1175 R CB 1.884 32.165 30.300 -0.031 0.000 1.251 1175 R HN -0.214 nan 8.270 nan 0.000 0.450 1176 T N 2.713 117.243 114.554 -0.040 0.000 2.916 1176 T HA 0.379 4.726 4.350 -0.006 0.000 0.298 1176 T C -1.684 172.994 174.700 -0.037 0.000 1.031 1176 T CA -0.653 61.399 62.100 -0.080 0.000 0.993 1176 T CB 1.699 70.409 68.868 -0.264 0.000 1.045 1176 T HN 0.527 nan 8.240 nan 0.000 0.454 1177 D N 1.745 122.103 120.400 -0.069 0.000 2.505 1177 D HA 0.648 5.285 4.640 -0.006 0.000 0.249 1177 D C -0.627 175.618 176.300 -0.093 0.000 1.082 1177 D CA -0.351 53.609 54.000 -0.067 0.000 0.839 1177 D CB 1.584 42.345 40.800 -0.065 0.000 1.317 1177 D HN 0.365 nan 8.370 nan 0.000 0.497 1178 I N 1.504 122.021 120.570 -0.089 0.000 2.533 1178 I HA 0.433 4.600 4.170 -0.006 0.000 0.290 1178 I C -0.958 175.131 176.117 -0.047 0.000 1.056 1178 I CA -1.122 60.135 61.300 -0.071 0.000 1.057 1178 I CB 2.203 40.150 38.000 -0.087 0.000 1.240 1178 I HN 0.010 nan 8.210 nan 0.000 0.423 1179 V N 6.586 126.489 119.914 -0.018 0.000 2.376 1179 V HA 0.462 4.579 4.120 -0.006 0.000 0.287 1179 V C -0.106 176.009 176.094 0.035 0.000 1.015 1179 V CA -0.407 61.892 62.300 -0.002 0.000 0.834 1179 V CB 1.656 33.474 31.823 -0.008 0.000 1.001 1179 V HN 0.599 nan 8.190 nan 0.000 0.428 1180 M N 3.535 123.157 119.600 0.036 0.000 2.294 1180 M HA 0.426 4.903 4.480 -0.006 0.000 0.335 1180 M C -0.741 175.600 176.300 0.069 0.000 1.079 1180 M CA -0.564 54.775 55.300 0.065 0.000 0.982 1180 M CB 1.759 34.392 32.600 0.055 0.000 1.651 1180 M HN 0.683 nan 8.290 nan 0.000 0.437 1181 D N 3.094 123.558 120.400 0.106 0.000 2.380 1181 D HA 0.340 4.976 4.640 -0.006 0.000 0.230 1181 D C 0.342 176.706 176.300 0.106 0.000 1.154 1181 D CA -0.343 53.724 54.000 0.112 0.000 0.859 1181 D CB 0.717 41.620 40.800 0.172 0.000 1.045 1181 D HN 0.409 nan 8.370 nan 0.000 0.495 1182 V N 1.944 121.901 119.914 0.071 0.000 3.085 1182 V HA 0.617 4.734 4.120 -0.006 0.000 0.345 1182 V C 1.165 177.282 176.094 0.038 0.000 1.397 1182 V CA 0.157 62.494 62.300 0.061 0.000 1.165 1182 V CB -0.366 31.485 31.823 0.046 0.000 1.153 1182 V HN 0.716 nan 8.190 nan 0.000 0.495 1183 G N 1.264 110.083 108.800 0.031 0.000 2.552 1183 G HA2 -0.246 3.710 3.960 -0.006 0.000 0.265 1183 G HA3 -0.246 3.710 3.960 -0.006 0.000 0.265 1183 G C 0.022 174.924 174.900 0.003 0.000 1.234 1183 G CA 0.056 45.156 45.100 0.000 0.000 0.944 1183 G HN 0.870 nan 8.290 nan 0.000 0.568 1184 S N 0.251 115.948 115.700 -0.005 0.000 2.416 1184 S HA 0.543 5.010 4.470 -0.006 0.000 0.287 1184 S C 0.515 175.121 174.600 0.009 0.000 1.139 1184 S CA 0.609 58.810 58.200 0.002 0.000 1.058 1184 S CB 1.214 64.414 63.200 0.000 0.000 0.967 1184 S HN 1.085 nan 8.310 nan 0.000 0.495 1185 S N 3.573 119.279 115.700 0.009 0.000 2.533 1185 S HA 0.187 4.654 4.470 -0.006 0.000 0.282 1185 S C 1.449 176.058 174.600 0.015 0.000 1.304 1185 S CA -0.590 57.618 58.200 0.013 0.000 1.063 1185 S CB 0.073 63.279 63.200 0.009 0.000 0.881 1185 S HN 0.655 nan 8.310 nan 0.000 0.493 1186 L N 3.592 124.831 121.223 0.026 0.000 2.056 1186 L HA 0.062 4.399 4.340 -0.006 0.000 0.207 1186 L C 1.124 178.004 176.870 0.016 0.000 1.078 1186 L CA 0.718 55.578 54.840 0.033 0.000 0.749 1186 L CB -0.197 41.891 42.059 0.047 0.000 0.901 1186 L HN 0.567 nan 8.230 nan 0.000 0.433 1187 N N -0.869 117.839 118.700 0.013 0.000 2.581 1187 N HA 0.168 4.905 4.740 -0.006 0.000 0.279 1187 N C -2.222 173.293 175.510 0.008 0.000 1.124 1187 N CA -1.376 51.678 53.050 0.008 0.000 0.833 1187 N CB 1.766 40.258 38.487 0.008 0.000 1.338 1187 N HN -0.218 nan 8.380 nan 0.000 0.533 1188 P HA 0.013 nan 4.420 nan 0.000 0.226 1188 P C 0.925 178.224 177.300 -0.001 0.000 1.153 1188 P CA 0.576 63.676 63.100 -0.000 0.000 0.777 1188 P CB 0.413 32.110 31.700 -0.005 0.000 0.794 1189 A N -0.264 122.558 122.820 0.004 0.000 1.929 1189 A HA -0.105 4.212 4.320 -0.006 0.000 0.216 1189 A C 2.017 179.612 177.584 0.018 0.000 1.176 1189 A CA 1.179 53.221 52.037 0.008 0.000 0.628 1189 A CB -1.283 17.726 19.000 0.015 0.000 0.816 1189 A HN 0.026 nan 8.150 nan 0.000 0.444 1190 I N 0.655 121.240 120.570 0.026 0.000 2.353 1190 I HA -0.128 4.039 4.170 -0.006 0.000 0.248 1190 I C 1.593 177.728 176.117 0.031 0.000 1.119 1190 I CA 1.110 62.433 61.300 0.038 0.000 1.417 1190 I CB -0.843 37.176 38.000 0.031 0.000 1.078 1190 I HN 0.226 nan 8.210 nan 0.000 0.421 1191 D N 0.212 120.624 120.400 0.019 0.000 2.103 1191 D HA -0.031 4.605 4.640 -0.006 0.000 0.199 1191 D C 2.418 178.724 176.300 0.010 0.000 0.978 1191 D CA 1.070 55.080 54.000 0.018 0.000 0.829 1191 D CB -0.131 40.678 40.800 0.015 0.000 0.981 1191 D HN 0.235 nan 8.370 nan 0.000 0.464 1192 I N 0.940 121.506 120.570 -0.007 0.000 2.264 1192 I HA -0.177 3.989 4.170 -0.006 0.000 0.248 1192 I C 2.394 178.490 176.117 -0.034 0.000 1.111 1192 I CA 1.279 62.558 61.300 -0.035 0.000 1.382 1192 I CB -0.306 37.660 38.000 -0.058 0.000 1.060 1192 I HN 0.030 nan 8.210 nan 0.000 0.418 1193 G N -0.245 108.551 108.800 -0.007 0.000 2.432 1193 G HA2 -0.207 3.749 3.960 -0.006 0.000 0.219 1193 G HA3 -0.207 3.749 3.960 -0.006 0.000 0.219 1193 G C 1.591 176.522 174.900 0.051 0.000 1.135 1193 G CA 0.305 45.416 45.100 0.018 0.000 0.767 1193 G HN 0.292 nan 8.290 nan 0.000 0.550 1194 Q N 0.145 119.977 119.800 0.053 0.000 2.083 1194 Q HA 0.002 4.338 4.340 -0.006 0.000 0.198 1194 Q C 2.996 179.043 176.000 0.080 0.000 0.969 1194 Q CA 0.807 56.653 55.803 0.072 0.000 0.838 1194 Q CB -0.573 28.198 28.738 0.056 0.000 0.900 1194 Q HN 0.414 nan 8.270 nan 0.000 0.436 1195 V N 1.459 121.407 119.914 0.056 0.000 2.255 1195 V HA -0.279 3.837 4.120 -0.006 0.000 0.247 1195 V C 2.179 178.353 176.094 0.133 0.000 1.051 1195 V CA 2.107 64.452 62.300 0.074 0.000 1.018 1195 V CB -0.604 31.232 31.823 0.022 0.000 0.641 1195 V HN 0.359 nan 8.190 nan 0.000 0.445 1196 E N 0.273 120.515 120.200 0.069 0.000 2.038 1196 E HA -0.182 4.165 4.350 -0.006 0.000 0.195 1196 E C 2.321 179.087 176.600 0.277 0.000 1.000 1196 E CA 1.458 57.939 56.400 0.134 0.000 0.803 1196 E CB -0.593 29.063 29.700 -0.073 0.000 0.750 1196 E HN 0.634 nan 8.360 nan 0.000 0.448 1197 G N 0.480 109.385 108.800 0.175 0.000 2.408 1197 G HA2 -0.203 3.753 3.960 -0.006 0.000 0.217 1197 G HA3 -0.203 3.753 3.960 -0.006 0.000 0.217 1197 G C 1.615 176.599 174.900 0.140 0.000 1.150 1197 G CA 0.759 45.953 45.100 0.156 0.000 0.776 1197 G HN 0.349 nan 8.290 nan 0.000 0.542 1198 A N 0.649 123.564 122.820 0.158 0.000 1.873 1198 A HA 0.077 4.394 4.320 -0.006 0.000 0.215 1198 A C 2.152 179.814 177.584 0.129 0.000 1.186 1198 A CA 1.536 53.650 52.037 0.128 0.000 0.616 1198 A CB -0.595 18.473 19.000 0.114 0.000 0.823 1198 A HN 0.446 nan 8.150 nan 0.000 0.442 1199 F N 0.822 120.830 119.950 0.097 0.000 2.126 1199 F HA -0.162 4.362 4.527 -0.006 0.000 0.299 1199 F C 2.046 177.880 175.800 0.056 0.000 1.096 1199 F CA 2.077 60.140 58.000 0.106 0.000 1.255 1199 F CB -0.193 38.922 39.000 0.191 0.000 0.997 1199 F HN 0.021 nan 8.300 nan 0.000 0.479 1200 V N 0.351 120.249 119.914 -0.027 0.000 2.548 1200 V HA -0.237 3.880 4.120 -0.006 0.000 0.249 1200 V C 2.251 178.208 176.094 -0.227 0.000 1.055 1200 V CA 1.876 64.075 62.300 -0.168 0.000 1.065 1200 V CB -0.714 31.134 31.823 0.042 0.000 0.681 1200 V HN 0.390 nan 8.190 nan 0.000 0.462 1201 Q N 0.073 119.775 119.800 -0.162 0.000 2.224 1201 Q HA -0.110 4.227 4.340 -0.006 0.000 0.203 1201 Q C 2.319 178.149 176.000 -0.284 0.000 0.970 1201 Q CA 1.456 57.142 55.803 -0.195 0.000 0.865 1201 Q CB -0.330 28.333 28.738 -0.124 0.000 0.922 1201 Q HN 0.735 nan 8.270 nan 0.000 0.445 1202 G N 1.216 109.843 108.800 -0.289 0.000 2.394 1202 G HA2 -0.219 3.738 3.960 -0.006 0.000 0.214 1202 G HA3 -0.219 3.738 3.960 -0.006 0.000 0.214 1202 G C 1.405 176.108 174.900 -0.329 0.000 1.176 1202 G CA 0.669 45.579 45.100 -0.317 0.000 0.786 1202 G HN 0.338 nan 8.290 nan 0.000 0.533 1203 L N 1.917 122.874 121.223 -0.443 0.000 2.079 1203 L HA 0.143 4.480 4.340 -0.006 0.000 0.210 1203 L C 2.451 179.166 176.870 -0.257 0.000 1.081 1203 L CA 2.445 57.068 54.840 -0.362 0.000 0.752 1203 L CB -1.313 40.412 42.059 -0.556 0.000 0.896 1203 L HN 0.123 nan 8.230 nan 0.000 0.433 1204 G N 0.067 108.689 108.800 -0.297 0.000 2.421 1204 G HA2 -0.277 3.680 3.960 -0.006 0.000 0.216 1204 G HA3 -0.277 3.680 3.960 -0.006 0.000 0.216 1204 G C 1.584 176.289 174.900 -0.326 0.000 1.171 1204 G CA 0.973 45.903 45.100 -0.283 0.000 0.775 1204 G HN 0.477 nan 8.290 nan 0.000 0.543 1205 L N -0.142 120.805 121.223 -0.460 0.000 2.013 1205 L HA 0.049 4.386 4.340 -0.006 0.000 0.212 1205 L C 2.463 178.967 176.870 -0.609 0.000 1.073 1205 L CA 1.778 56.233 54.840 -0.641 0.000 0.753 1205 L CB -0.633 40.815 42.059 -1.019 0.000 0.890 1205 L HN 0.271 nan 8.230 nan 0.000 0.432 1206 F N -1.430 118.352 119.950 -0.281 0.000 2.615 1206 F HA 0.007 4.531 4.527 -0.005 0.000 0.297 1206 F C 1.918 177.680 175.800 -0.063 0.000 1.124 1206 F CA 0.774 58.615 58.000 -0.265 0.000 1.451 1206 F CB -0.181 38.642 39.000 -0.294 0.000 1.103 1206 F HN 0.341 nan 8.300 nan 0.000 0.569 1207 T N -5.051 109.517 114.554 0.023 0.000 3.029 1207 T HA 0.169 4.516 4.350 -0.006 0.000 0.256 1207 T C 1.036 175.725 174.700 -0.018 0.000 0.914 1207 T CA 0.093 62.207 62.100 0.023 0.000 0.880 1207 T CB 0.009 68.888 68.868 0.019 0.000 1.246 1207 T HN 0.042 nan 8.240 nan 0.000 0.523 1208 L N 0.828 121.989 121.223 -0.102 0.000 2.641 1208 L HA 0.571 4.908 4.340 -0.006 0.000 0.207 1208 L C 0.237 176.964 176.870 -0.238 0.000 1.049 1208 L CA 0.628 55.377 54.840 -0.151 0.000 0.866 1208 L CB 0.168 42.112 42.059 -0.191 0.000 1.264 1208 L HN 0.256 nan 8.230 nan 0.000 0.483 1209 E N 1.422 121.441 120.200 -0.302 0.000 2.180 1209 E HA 0.226 4.573 4.350 -0.006 0.000 0.283 1209 E C -0.369 176.132 176.600 -0.165 0.000 1.061 1209 E CA 0.069 56.195 56.400 -0.458 0.000 0.861 1209 E CB 0.615 30.062 29.700 -0.421 0.000 1.056 1209 E HN 0.125 nan 8.360 nan 0.000 0.407 1210 E N 4.853 125.004 120.200 -0.081 0.000 2.265 1210 E HA 0.236 4.582 4.350 -0.006 0.000 0.262 1210 E C -1.355 175.435 176.600 0.318 0.000 0.889 1210 E CA -0.516 55.962 56.400 0.131 0.000 0.789 1210 E CB 0.821 30.557 29.700 0.061 0.000 1.221 1210 E HN 0.390 nan 8.360 nan 0.000 0.414 1211 L N 3.935 125.350 121.223 0.320 0.000 2.312 1211 L HA 0.471 4.808 4.340 -0.006 0.000 0.281 1211 L C -0.427 176.551 176.870 0.180 0.000 1.070 1211 L CA -0.807 54.145 54.840 0.187 0.000 0.805 1211 L CB 1.035 43.152 42.059 0.097 0.000 1.174 1211 L HN 0.638 nan 8.230 nan 0.000 0.434 1212 H N 2.306 121.307 119.070 -0.116 0.000 2.759 1212 H HA 0.515 5.067 4.556 -0.005 0.000 0.354 1212 H C -1.681 173.547 175.328 -0.167 0.000 1.074 1212 H CA -0.506 55.554 56.048 0.021 0.000 1.226 1212 H CB 1.151 30.984 29.762 0.119 0.000 1.648 1212 H HN 0.291 nan 8.280 nan 0.000 0.529 1213 Y N 1.475 121.555 120.300 -0.367 0.000 2.562 1213 Y HA 0.384 4.930 4.550 -0.006 0.000 0.343 1213 Y C 0.557 176.147 175.900 -0.517 0.000 1.025 1213 Y CA -0.682 57.175 58.100 -0.405 0.000 1.082 1213 Y CB 1.837 40.179 38.460 -0.196 0.000 1.264 1213 Y HN 0.745 nan 8.280 nan 0.000 0.478 1214 S N 0.900 116.351 115.700 -0.415 0.000 2.593 1214 S HA 0.206 4.673 4.470 -0.006 0.000 0.269 1214 S C -2.040 172.539 174.600 -0.035 0.000 1.334 1214 S CA -0.927 57.175 58.200 -0.163 0.000 1.015 1214 S CB 1.142 64.231 63.200 -0.186 0.000 0.912 1214 S HN 0.470 nan 8.310 nan 0.000 0.541 1215 P HA -0.089 nan 4.420 nan 0.000 0.216 1215 P C 0.349 177.641 177.300 -0.013 0.000 1.150 1215 P CA 1.242 64.348 63.100 0.010 0.000 0.843 1215 P CB -0.116 31.600 31.700 0.028 0.000 0.787 1216 E N -1.138 119.052 120.200 -0.017 0.000 2.382 1216 E HA 0.275 4.622 4.350 -0.006 0.000 0.190 1216 E C 1.372 177.951 176.600 -0.036 0.000 1.125 1216 E CA 0.637 57.022 56.400 -0.026 0.000 0.929 1216 E CB -1.223 28.462 29.700 -0.025 0.000 1.053 1216 E HN 0.209 nan 8.360 nan 0.000 0.475 1217 G N 0.124 108.900 108.800 -0.041 0.000 2.179 1217 G HA2 -0.316 3.641 3.960 -0.006 0.000 0.260 1217 G HA3 -0.316 3.641 3.960 -0.006 0.000 0.260 1217 G C 0.494 175.416 174.900 0.036 0.000 0.977 1217 G CA 0.418 45.495 45.100 -0.038 0.000 0.641 1217 G HN 0.372 nan 8.290 nan 0.000 0.533 1218 S N 0.099 115.791 115.700 -0.013 0.000 2.452 1218 S HA 0.609 5.075 4.470 -0.006 0.000 0.284 1218 S C 0.430 174.938 174.600 -0.153 0.000 1.171 1218 S CA -0.624 57.548 58.200 -0.048 0.000 1.064 1218 S CB 0.757 63.890 63.200 -0.112 0.000 0.967 1218 S HN 1.014 nan 8.310 nan 0.000 0.484 1219 L N 6.323 127.488 121.223 -0.097 0.000 2.499 1219 L HA 0.200 4.537 4.340 -0.006 0.000 0.273 1219 L C 1.157 177.835 176.870 -0.320 0.000 1.195 1219 L CA 0.887 55.494 54.840 -0.388 0.000 0.882 1219 L CB 0.296 42.183 42.059 -0.286 0.000 1.133 1219 L HN 0.801 nan 8.230 nan 0.000 0.483 1220 H N 1.557 120.487 119.070 -0.235 0.000 2.451 1220 H HA 0.103 4.655 4.556 -0.006 0.000 0.294 1220 H C 0.270 175.573 175.328 -0.041 0.000 1.028 1220 H CA 1.071 57.065 56.048 -0.090 0.000 1.349 1220 H CB 0.058 29.802 29.762 -0.031 0.000 1.444 1220 H HN 0.678 nan 8.280 nan 0.000 0.538 1221 T N 0.624 115.209 114.554 0.052 0.000 2.875 1221 T HA 0.379 4.725 4.350 -0.006 0.000 0.307 1221 T C 0.649 175.355 174.700 0.009 0.000 1.013 1221 T CA -0.663 61.485 62.100 0.079 0.000 0.970 1221 T CB 0.262 69.221 68.868 0.150 0.000 0.986 1221 T HN 0.209 nan 8.240 nan 0.000 0.536 1222 R N 2.082 122.613 120.500 0.053 0.000 2.690 1222 R HA 0.496 4.833 4.340 -0.006 0.000 0.419 1222 R C 0.501 176.852 176.300 0.086 0.000 1.090 1222 R CA -0.700 55.420 56.100 0.034 0.000 1.064 1222 R CB 1.164 31.482 30.300 0.030 0.000 1.391 1222 R HN 0.793 nan 8.270 nan 0.000 0.586 1223 G N 0.720 109.618 108.800 0.164 0.000 2.451 1223 G HA2 0.182 4.139 3.960 -0.006 0.000 0.292 1223 G HA3 0.182 4.139 3.960 -0.006 0.000 0.292 1223 G C -2.698 172.394 174.900 0.320 0.000 1.427 1223 G CA -0.763 44.472 45.100 0.226 0.000 0.792 1223 G HN -0.273 nan 8.290 nan 0.000 0.498 1224 P HA -0.002 nan 4.420 nan 0.000 0.230 1224 P C 1.736 179.089 177.300 0.088 0.000 1.158 1224 P CA 1.640 64.856 63.100 0.194 0.000 0.769 1224 P CB 0.292 32.115 31.700 0.206 0.000 0.807 1225 S N -0.805 114.955 115.700 0.100 0.000 2.446 1225 S HA -0.045 4.422 4.470 -0.006 0.000 0.225 1225 S C 1.709 176.339 174.600 0.050 0.000 1.016 1225 S CA 1.383 59.617 58.200 0.056 0.000 0.943 1225 S CB -1.533 61.700 63.200 0.054 0.000 0.786 1225 S HN 0.277 nan 8.310 nan 0.000 0.508 1226 T N -2.885 111.722 114.554 0.089 0.000 3.044 1226 T HA 0.319 4.666 4.350 -0.006 0.000 0.260 1226 T C -0.324 174.464 174.700 0.146 0.000 1.019 1226 T CA -0.475 61.681 62.100 0.095 0.000 0.921 1226 T CB -0.296 68.635 68.868 0.105 0.000 1.053 1226 T HN 0.418 nan 8.240 nan 0.000 0.533 1227 Y N 0.938 121.237 120.300 -0.001 0.000 2.361 1227 Y HA 0.641 5.188 4.550 -0.005 0.000 0.328 1227 Y C -1.501 174.326 175.900 -0.123 0.000 1.044 1227 Y CA -1.397 56.686 58.100 -0.029 0.000 1.085 1227 Y CB 1.711 40.189 38.460 0.030 0.000 1.194 1227 Y HN -0.183 nan 8.280 nan 0.000 0.438 1228 K N 7.605 127.604 120.400 -0.668 0.000 2.473 1228 K HA 0.391 4.708 4.320 -0.006 0.000 0.246 1228 K C -0.718 175.534 176.600 -0.581 0.000 1.011 1228 K CA -0.423 55.579 56.287 -0.475 0.000 0.984 1228 K CB 0.169 32.488 32.500 -0.302 0.000 1.250 1228 K HN 0.701 nan 8.250 nan 0.000 0.454 1229 I N -0.382 119.860 120.570 -0.547 0.000 2.764 1229 I HA 0.561 4.727 4.170 -0.006 0.000 0.294 1229 I C -1.960 173.971 176.117 -0.310 0.000 1.045 1229 I CA -2.415 58.620 61.300 -0.442 0.000 1.340 1229 I CB 0.722 38.452 38.000 -0.451 0.000 1.436 1229 I HN 0.312 nan 8.210 nan 0.000 0.567 1230 P HA 0.100 nan 4.420 nan 0.000 0.264 1230 P C -0.754 176.451 177.300 -0.157 0.000 1.179 1230 P CA 0.084 63.070 63.100 -0.189 0.000 0.763 1230 P CB 0.494 32.087 31.700 -0.179 0.000 0.806 1231 A N 1.954 124.709 122.820 -0.108 0.000 2.346 1231 A HA 0.515 4.831 4.320 -0.006 0.000 0.313 1231 A C 0.783 178.368 177.584 0.002 0.000 1.140 1231 A CA -0.607 51.409 52.037 -0.034 0.000 0.826 1231 A CB 0.085 19.085 19.000 0.000 0.000 1.332 1231 A HN 0.411 nan 8.150 nan 0.000 0.457 1232 F N 0.686 120.619 119.950 -0.028 0.000 2.115 1232 F HA -0.186 4.338 4.527 -0.006 0.000 0.300 1232 F C 2.442 178.232 175.800 -0.017 0.000 1.092 1232 F CA 2.734 60.729 58.000 -0.007 0.000 1.245 1232 F CB -0.128 38.872 39.000 -0.001 0.000 0.995 1232 F HN 0.645 nan 8.300 nan 0.000 0.481 1233 G N -2.215 106.673 108.800 0.147 0.000 2.985 1233 G HA2 -0.033 3.924 3.960 -0.006 0.000 0.209 1233 G HA3 -0.033 3.924 3.960 -0.006 0.000 0.209 1233 G C 1.489 176.378 174.900 -0.018 0.000 1.165 1233 G CA 0.561 45.694 45.100 0.053 0.000 0.776 1233 G HN 0.299 nan 8.290 nan 0.000 0.541 1234 S N 0.178 115.853 115.700 -0.042 0.000 2.461 1234 S HA 0.114 4.580 4.470 -0.006 0.000 0.228 1234 S C 1.220 175.759 174.600 -0.103 0.000 1.005 1234 S CA -0.071 58.071 58.200 -0.096 0.000 0.942 1234 S CB -0.162 62.970 63.200 -0.114 0.000 0.776 1234 S HN 0.621 nan 8.310 nan 0.000 0.514 1235 I N -0.055 120.465 120.570 -0.085 0.000 2.764 1235 I HA 0.406 4.573 4.170 -0.006 0.000 0.294 1235 I C -2.896 173.131 176.117 -0.150 0.000 1.045 1235 I CA -2.757 58.456 61.300 -0.146 0.000 1.340 1235 I CB -0.138 37.801 38.000 -0.101 0.000 1.436 1235 I HN -0.229 nan 8.210 nan 0.000 0.567 1236 P HA 0.014 nan 4.420 nan 0.000 0.262 1236 P C 0.453 177.720 177.300 -0.055 0.000 1.182 1236 P CA 0.232 63.233 63.100 -0.165 0.000 0.761 1236 P CB 0.528 32.070 31.700 -0.263 0.000 0.795 1237 T N 0.934 115.474 114.554 -0.024 0.000 2.720 1237 T HA -0.133 4.213 4.350 -0.006 0.000 0.268 1237 T C 0.728 175.453 174.700 0.042 0.000 1.037 1237 T CA 1.425 63.532 62.100 0.010 0.000 1.144 1237 T CB -0.183 68.682 68.868 -0.005 0.000 0.864 1237 T HN 0.411 nan 8.240 nan 0.000 0.444 1238 E N 0.423 120.644 120.200 0.036 0.000 2.113 1238 E HA 0.380 4.727 4.350 -0.006 0.000 0.273 1238 E C -1.683 174.994 176.600 0.130 0.000 0.924 1238 E CA -0.401 56.038 56.400 0.065 0.000 0.764 1238 E CB 0.842 30.557 29.700 0.025 0.000 1.104 1238 E HN 0.406 nan 8.360 nan 0.000 0.406 1239 F N 4.629 124.549 119.950 -0.049 0.000 2.513 1239 F HA 0.417 4.941 4.527 -0.005 0.000 0.358 1239 F C -0.347 175.400 175.800 -0.088 0.000 1.118 1239 F CA -0.843 57.108 58.000 -0.081 0.000 1.037 1239 F CB 0.735 39.706 39.000 -0.049 0.000 1.276 1239 F HN 0.182 nan 8.300 nan 0.000 0.446 1240 R N 5.037 125.569 120.500 0.054 0.000 2.480 1240 R HA 0.648 4.985 4.340 -0.006 0.000 0.306 1240 R C -1.485 174.728 176.300 -0.144 0.000 0.958 1240 R CA -0.963 55.085 56.100 -0.088 0.000 0.861 1240 R CB 2.752 33.024 30.300 -0.045 0.000 1.171 1240 R HN 0.293 nan 8.270 nan 0.000 0.445 1241 V N 1.749 121.543 119.914 -0.200 0.000 2.540 1241 V HA 0.454 4.571 4.120 -0.006 0.000 0.302 1241 V C -0.341 175.689 176.094 -0.106 0.000 1.035 1241 V CA -0.614 61.586 62.300 -0.168 0.000 0.873 1241 V CB 2.065 33.753 31.823 -0.225 0.000 0.992 1241 V HN 0.745 nan 8.190 nan 0.000 0.428 1242 S N 4.505 120.163 115.700 -0.070 0.000 2.538 1242 S HA 0.680 5.146 4.470 -0.006 0.000 0.288 1242 S C -0.692 173.892 174.600 -0.027 0.000 1.108 1242 S CA -0.552 57.620 58.200 -0.047 0.000 0.971 1242 S CB 1.460 64.636 63.200 -0.039 0.000 1.041 1242 S HN 0.542 nan 8.310 nan 0.000 0.483 1243 L N 3.305 124.516 121.223 -0.020 0.000 2.276 1243 L HA 0.415 4.752 4.340 -0.006 0.000 0.286 1243 L C -0.066 176.805 176.870 0.001 0.000 1.061 1243 L CA -0.814 54.024 54.840 -0.003 0.000 0.807 1243 L CB 0.640 42.697 42.059 -0.003 0.000 1.177 1243 L HN 0.504 nan 8.230 nan 0.000 0.429 1244 L N 5.243 126.474 121.223 0.013 0.000 2.540 1244 L HA 0.067 4.404 4.340 -0.006 0.000 0.276 1244 L C 0.438 177.314 176.870 0.011 0.000 1.212 1244 L CA 0.609 55.458 54.840 0.014 0.000 0.893 1244 L CB 0.066 42.141 42.059 0.027 0.000 1.138 1244 L HN 0.507 nan 8.230 nan 0.000 0.491 1245 R N 3.853 124.357 120.500 0.006 0.000 2.500 1245 R HA 0.256 4.593 4.340 -0.006 0.000 0.277 1245 R C -0.474 175.830 176.300 0.007 0.000 1.026 1245 R CA -0.536 55.567 56.100 0.004 0.000 1.058 1245 R CB 0.410 30.710 30.300 0.000 0.000 1.078 1245 R HN 0.769 nan 8.270 nan 0.000 0.509 1246 D N 0.087 120.490 120.400 0.005 0.000 2.699 1246 D HA -0.129 4.508 4.640 -0.006 0.000 0.239 1246 D C -0.086 176.219 176.300 0.009 0.000 1.136 1246 D CA 0.959 54.962 54.000 0.005 0.000 0.668 1246 D CB -1.713 39.090 40.800 0.006 0.000 1.060 1246 D HN 0.770 nan 8.370 nan 0.000 0.429 1247 C N -2.130 117.176 119.300 0.009 0.000 3.206 1247 C HA 0.403 4.860 4.460 -0.006 0.000 0.206 1247 C C -2.273 172.720 174.990 0.005 0.000 1.836 1247 C CA -1.757 57.270 59.018 0.014 0.000 1.382 1247 C CB 0.214 27.970 27.740 0.027 0.000 2.405 1247 C HN 0.075 nan 8.230 nan 0.000 0.516 1248 P HA 0.099 nan 4.420 nan 0.000 0.265 1248 P C -0.502 176.770 177.300 -0.046 0.000 1.193 1248 P CA 0.779 63.866 63.100 -0.022 0.000 0.765 1248 P CB 0.702 32.393 31.700 -0.015 0.000 0.823 1249 N N 2.435 121.081 118.700 -0.091 0.000 2.457 1249 N HA 0.078 4.815 4.740 -0.006 0.000 0.250 1249 N C 0.864 176.269 175.510 -0.175 0.000 0.982 1249 N CA -0.419 52.524 53.050 -0.178 0.000 0.941 1249 N CB 0.630 38.926 38.487 -0.319 0.000 1.120 1249 N HN 0.134 nan 8.380 nan 0.000 0.505 1250 K N 2.283 122.598 120.400 -0.141 0.000 2.365 1250 K HA 0.019 4.336 4.320 -0.006 0.000 0.199 1250 K C 0.578 177.107 176.600 -0.119 0.000 1.045 1250 K CA 0.569 56.796 56.287 -0.100 0.000 0.962 1250 K CB 0.340 32.805 32.500 -0.058 0.000 0.759 1250 K HN 0.456 nan 8.250 nan 0.000 0.469 1251 K N 0.537 120.807 120.400 -0.217 0.000 2.365 1251 K HA 0.111 4.428 4.320 -0.006 0.000 0.197 1251 K C 0.963 177.559 176.600 -0.006 0.000 1.042 1251 K CA 0.270 56.435 56.287 -0.204 0.000 0.987 1251 K CB 0.380 32.568 32.500 -0.520 0.000 0.779 1251 K HN 0.089 nan 8.250 nan 0.000 0.484 1252 A N 0.859 123.587 122.820 -0.153 0.000 2.486 1252 A HA 0.520 4.836 4.320 -0.006 0.000 0.289 1252 A C -0.776 176.705 177.584 -0.172 0.000 1.176 1252 A CA -0.850 51.133 52.037 -0.090 0.000 0.757 1252 A CB 0.841 19.815 19.000 -0.044 0.000 1.337 1252 A HN 0.126 nan 8.150 nan 0.000 0.423 1253 I N 0.784 121.217 120.570 -0.228 0.000 2.742 1253 I HA 0.129 4.296 4.170 -0.006 0.000 0.287 1253 I C -0.047 175.935 176.117 -0.225 0.000 1.186 1253 I CA 1.247 62.325 61.300 -0.370 0.000 1.417 1253 I CB -1.069 36.675 38.000 -0.426 0.000 1.377 1253 I HN 0.623 nan 8.210 nan 0.000 0.556 1254 Y N 5.625 125.821 120.300 -0.174 0.000 3.721 1254 Y HA -0.291 4.255 4.550 -0.006 0.000 0.218 1254 Y C 1.312 177.155 175.900 -0.094 0.000 1.188 1254 Y CA 0.387 58.416 58.100 -0.119 0.000 1.607 1254 Y CB -1.738 36.672 38.460 -0.084 0.000 1.496 1254 Y HN 1.066 nan 8.280 nan 0.000 0.626 1255 A N -0.900 121.925 122.820 0.009 0.000 3.061 1255 A HA -0.175 4.142 4.320 -0.006 0.000 0.244 1255 A C 0.752 178.309 177.584 -0.045 0.000 1.357 1255 A CA 0.877 52.895 52.037 -0.032 0.000 0.889 1255 A CB -1.890 17.107 19.000 -0.004 0.000 1.092 1255 A HN 1.296 nan 8.150 nan 0.000 0.694 1256 S N -1.027 114.645 115.700 -0.047 0.000 2.722 1256 S HA 0.843 5.310 4.470 -0.006 0.000 0.292 1256 S C -0.293 174.267 174.600 -0.066 0.000 1.135 1256 S CA -0.393 57.790 58.200 -0.029 0.000 1.003 1256 S CB 1.858 65.062 63.200 0.006 0.000 1.067 1256 S HN 0.531 nan 8.310 nan 0.000 0.546 1257 K N 0.020 120.422 120.400 0.003 0.000 2.385 1257 K HA 0.675 4.991 4.320 -0.006 0.000 0.248 1257 K C -0.537 176.156 176.600 0.155 0.000 0.955 1257 K CA -0.954 55.398 56.287 0.108 0.000 0.816 1257 K CB 2.149 34.732 32.500 0.138 0.000 1.250 1257 K HN 0.854 nan 8.250 nan 0.000 0.434 1258 A N 0.918 123.883 122.820 0.241 0.000 2.531 1258 A HA 0.135 4.452 4.320 -0.006 0.000 0.236 1258 A C 0.550 178.171 177.584 0.061 0.000 1.062 1258 A CA 0.054 52.152 52.037 0.102 0.000 0.760 1258 A CB 0.414 19.435 19.000 0.034 0.000 0.995 1258 A HN 0.541 nan 8.150 nan 0.000 0.501 1259 V N 2.330 122.255 119.914 0.019 0.000 3.392 1259 V HA 0.255 4.371 4.120 -0.006 0.000 0.285 1259 V C 1.479 177.561 176.094 -0.019 0.000 1.582 1259 V CA 1.355 63.661 62.300 0.009 0.000 1.034 1259 V CB -0.157 31.683 31.823 0.027 0.000 0.846 1259 V HN 1.092 nan 8.190 nan 0.000 0.431 1260 G N 0.423 109.200 108.800 -0.038 0.000 2.505 1260 G HA2 -0.168 3.789 3.960 -0.006 0.000 0.214 1260 G HA3 -0.168 3.789 3.960 -0.006 0.000 0.214 1260 G C 1.121 175.979 174.900 -0.071 0.000 1.237 1260 G CA 1.272 46.355 45.100 -0.030 0.000 0.802 1260 G HN 0.577 nan 8.290 nan 0.000 0.549 1261 E N 0.771 120.848 120.200 -0.205 0.000 2.170 1261 E HA -0.006 4.340 4.350 -0.006 0.000 0.191 1261 E C -0.145 176.084 176.600 -0.618 0.000 0.981 1261 E CA 0.318 56.491 56.400 -0.378 0.000 0.830 1261 E CB -0.247 29.125 29.700 -0.546 0.000 0.775 1261 E HN 0.311 nan 8.360 nan 0.000 0.470 1262 P HA -0.167 nan 4.420 nan 0.000 0.216 1262 P C -1.630 175.612 177.300 -0.096 0.000 1.157 1262 P CA 1.838 64.682 63.100 -0.426 0.000 0.880 1262 P CB -0.853 30.762 31.700 -0.142 0.000 0.791 1263 P HA 0.035 nan 4.420 nan 0.000 0.245 1263 P C 1.407 178.797 177.300 0.151 0.000 1.212 1263 P CA 0.367 63.529 63.100 0.104 0.000 0.774 1263 P CB -0.425 31.343 31.700 0.114 0.000 0.999 1264 L N -1.200 120.075 121.223 0.086 0.000 2.056 1264 L HA -0.113 4.224 4.340 -0.006 0.000 0.207 1264 L C 2.131 179.120 176.870 0.198 0.000 1.078 1264 L CA 1.484 56.383 54.840 0.099 0.000 0.749 1264 L CB -0.614 41.467 42.059 0.035 0.000 0.901 1264 L HN -0.096 nan 8.230 nan 0.000 0.433 1265 F N 0.202 120.237 119.950 0.142 0.000 2.269 1265 F HA -0.167 4.357 4.527 -0.006 0.000 0.301 1265 F C 1.847 177.795 175.800 0.247 0.000 1.082 1265 F CA 1.240 59.391 58.000 0.251 0.000 1.360 1265 F CB -0.304 38.821 39.000 0.207 0.000 1.041 1265 F HN -0.013 nan 8.300 nan 0.000 0.512 1266 L N 0.127 121.397 121.223 0.079 0.000 2.551 1266 L HA -0.160 4.177 4.340 -0.006 0.000 0.230 1266 L C 2.546 179.503 176.870 0.145 0.000 1.163 1266 L CA 0.883 55.758 54.840 0.060 0.000 0.826 1266 L CB -1.434 40.767 42.059 0.237 0.000 0.943 1266 L HN 0.373 nan 8.230 nan 0.000 0.452 1267 G N -0.469 108.353 108.800 0.036 0.000 2.484 1267 G HA2 -0.133 3.824 3.960 -0.006 0.000 0.218 1267 G HA3 -0.133 3.824 3.960 -0.006 0.000 0.218 1267 G C 1.727 176.588 174.900 -0.067 0.000 1.130 1267 G CA 0.597 45.582 45.100 -0.192 0.000 0.784 1267 G HN 0.462 nan 8.290 nan 0.000 0.543 1268 A N 1.396 124.004 122.820 -0.353 0.000 2.125 1268 A HA 0.001 4.317 4.320 -0.006 0.000 0.219 1268 A C 2.636 180.154 177.584 -0.110 0.000 1.156 1268 A CA 2.074 53.715 52.037 -0.661 0.000 0.671 1268 A CB -0.535 17.762 19.000 -1.172 0.000 0.794 1268 A HN 0.697 nan 8.150 nan 0.000 0.459 1269 S N -0.559 115.132 115.700 -0.014 0.000 2.442 1269 S HA -0.088 4.379 4.470 -0.006 0.000 0.236 1269 S C 1.600 176.282 174.600 0.137 0.000 1.007 1269 S CA 1.354 59.632 58.200 0.130 0.000 0.965 1269 S CB -0.593 62.682 63.200 0.125 0.000 0.773 1269 S HN 0.258 nan 8.310 nan 0.000 0.504 1270 V N 0.565 120.540 119.914 0.102 0.000 2.407 1270 V HA 0.043 4.160 4.120 -0.006 0.000 0.245 1270 V C 2.001 178.068 176.094 -0.045 0.000 1.041 1270 V CA 1.544 63.871 62.300 0.044 0.000 1.040 1270 V CB -0.984 30.861 31.823 0.038 0.000 0.671 1270 V HN 0.556 nan 8.190 nan 0.000 0.455 1271 F N 0.669 120.484 119.950 -0.226 0.000 2.095 1271 F HA -0.205 4.319 4.527 -0.005 0.000 0.298 1271 F C 2.013 177.547 175.800 -0.444 0.000 1.104 1271 F CA 1.940 59.712 58.000 -0.381 0.000 1.232 1271 F CB -0.258 38.401 39.000 -0.568 0.000 0.987 1271 F HN 0.134 nan 8.300 nan 0.000 0.475 1272 F N -0.082 119.996 119.950 0.213 0.000 2.456 1272 F HA 0.024 4.547 4.527 -0.006 0.000 0.298 1272 F C 2.417 178.220 175.800 0.004 0.000 1.104 1272 F CA 0.639 58.708 58.000 0.114 0.000 1.435 1272 F CB -0.911 38.153 39.000 0.106 0.000 1.078 1272 F HN 0.055 nan 8.300 nan 0.000 0.546 1273 A N 0.594 123.474 122.820 0.100 0.000 1.898 1273 A HA -0.130 4.187 4.320 -0.006 0.000 0.216 1273 A C 2.181 179.730 177.584 -0.058 0.000 1.181 1273 A CA 1.443 53.498 52.037 0.029 0.000 0.620 1273 A CB -0.946 18.066 19.000 0.020 0.000 0.819 1273 A HN 0.366 nan 8.150 nan 0.000 0.442 1274 I N -0.638 119.823 120.570 -0.183 0.000 2.179 1274 I HA -0.268 3.899 4.170 -0.006 0.000 0.242 1274 I C 2.563 178.575 176.117 -0.176 0.000 1.088 1274 I CA 1.540 62.689 61.300 -0.251 0.000 1.357 1274 I CB -0.265 37.460 38.000 -0.457 0.000 1.051 1274 I HN 0.287 nan 8.210 nan 0.000 0.409 1275 K N 0.543 120.804 120.400 -0.232 0.000 2.044 1275 K HA -0.274 4.043 4.320 -0.006 0.000 0.210 1275 K C 1.735 178.413 176.600 0.130 0.000 1.049 1275 K CA 2.228 58.495 56.287 -0.034 0.000 0.927 1275 K CB -0.230 32.238 32.500 -0.054 0.000 0.713 1275 K HN 0.225 nan 8.250 nan 0.000 0.443 1276 D N -0.307 120.149 120.400 0.093 0.000 2.144 1276 D HA -0.111 4.525 4.640 -0.006 0.000 0.199 1276 D C 1.588 177.937 176.300 0.082 0.000 0.984 1276 D CA 1.235 55.299 54.000 0.108 0.000 0.834 1276 D CB 0.018 40.873 40.800 0.092 0.000 0.955 1276 D HN 0.284 nan 8.370 nan 0.000 0.465 1277 A N -0.222 122.624 122.820 0.043 0.000 2.015 1277 A HA -0.075 4.242 4.320 -0.006 0.000 0.219 1277 A C 2.197 179.808 177.584 0.044 0.000 1.163 1277 A CA 0.689 52.748 52.037 0.036 0.000 0.646 1277 A CB -0.521 18.485 19.000 0.009 0.000 0.806 1277 A HN 0.241 nan 8.150 nan 0.000 0.448 1278 I N -0.987 119.617 120.570 0.058 0.000 2.252 1278 I HA -0.220 3.946 4.170 -0.006 0.000 0.245 1278 I C 2.680 178.787 176.117 -0.017 0.000 1.102 1278 I CA 0.991 62.306 61.300 0.025 0.000 1.385 1278 I CB -0.301 37.747 38.000 0.079 0.000 1.064 1278 I HN 0.252 nan 8.210 nan 0.000 0.414 1279 R N 0.696 121.273 120.500 0.128 0.000 2.103 1279 R HA -0.217 4.120 4.340 -0.006 0.000 0.242 1279 R C 2.368 178.688 176.300 0.033 0.000 1.142 1279 R CA 1.751 57.928 56.100 0.128 0.000 0.960 1279 R CB -0.508 29.924 30.300 0.221 0.000 0.858 1279 R HN 0.409 nan 8.270 nan 0.000 0.439 1280 A N 0.745 123.585 122.820 0.033 0.000 1.929 1280 A HA -0.009 4.308 4.320 -0.006 0.000 0.216 1280 A C 2.308 179.871 177.584 -0.035 0.000 1.176 1280 A CA 1.387 53.428 52.037 0.006 0.000 0.628 1280 A CB -0.413 18.604 19.000 0.029 0.000 0.816 1280 A HN 0.392 nan 8.150 nan 0.000 0.444 1281 A N -0.102 122.705 122.820 -0.022 0.000 1.930 1281 A HA -0.111 4.206 4.320 -0.006 0.000 0.217 1281 A C 2.198 179.750 177.584 -0.053 0.000 1.175 1281 A CA 1.391 53.414 52.037 -0.024 0.000 0.627 1281 A CB -0.370 18.649 19.000 0.032 0.000 0.815 1281 A HN 0.531 nan 8.150 nan 0.000 0.443 1282 R N -0.644 119.803 120.500 -0.088 0.000 2.193 1282 R HA 0.126 4.463 4.340 -0.006 0.000 0.213 1282 R C 2.240 178.493 176.300 -0.078 0.000 1.055 1282 R CA 0.771 56.808 56.100 -0.106 0.000 0.995 1282 R CB -0.256 29.914 30.300 -0.216 0.000 0.893 1282 R HN 0.488 nan 8.270 nan 0.000 0.459 1283 A N 0.787 123.563 122.820 -0.074 0.000 1.968 1283 A HA -0.192 4.125 4.320 -0.006 0.000 0.217 1283 A C 2.068 179.574 177.584 -0.131 0.000 1.169 1283 A CA 1.104 53.098 52.037 -0.072 0.000 0.638 1283 A CB -0.179 18.791 19.000 -0.050 0.000 0.812 1283 A HN 0.200 nan 8.150 nan 0.000 0.446 1284 Q N -1.025 118.648 119.800 -0.211 0.000 2.033 1284 Q HA -0.113 4.224 4.340 -0.006 0.000 0.196 1284 Q C 1.499 177.216 176.000 -0.471 0.000 0.970 1284 Q CA 1.844 57.395 55.803 -0.420 0.000 0.828 1284 Q CB -0.103 28.262 28.738 -0.622 0.000 0.895 1284 Q HN 0.718 nan 8.270 nan 0.000 0.440 1285 H N -1.906 117.082 119.070 -0.137 0.000 2.986 1285 H HA 0.222 4.776 4.556 -0.005 0.000 0.267 1285 H C 1.000 176.285 175.328 -0.071 0.000 1.072 1285 H CA 1.002 56.978 56.048 -0.121 0.000 1.202 1285 H CB 0.888 30.569 29.762 -0.136 0.000 1.535 1285 H HN 0.396 nan 8.280 nan 0.000 0.522 1286 T N -0.101 114.470 114.554 0.027 0.000 3.038 1286 T HA 0.081 4.427 4.350 -0.006 0.000 0.244 1286 T C 0.615 175.314 174.700 -0.002 0.000 1.016 1286 T CA 0.322 62.428 62.100 0.011 0.000 1.098 1286 T CB 0.505 69.364 68.868 -0.015 0.000 0.954 1286 T HN 0.593 nan 8.240 nan 0.000 0.469 1287 N N -0.898 117.794 118.700 -0.013 0.000 3.339 1287 N HA 0.167 4.903 4.740 -0.006 0.000 0.275 1287 N C -1.002 174.500 175.510 -0.014 0.000 1.514 1287 N CA -0.765 52.281 53.050 -0.007 0.000 0.879 1287 N CB 0.302 38.791 38.487 0.004 0.000 1.557 1287 N HN -0.069 nan 8.380 nan 0.000 0.524 1288 N N -0.648 118.049 118.700 -0.004 0.000 2.184 1288 N HA 0.030 4.766 4.740 -0.006 0.000 0.206 1288 N C -0.804 174.711 175.510 0.009 0.000 1.151 1288 N CA 0.026 53.073 53.050 -0.005 0.000 0.878 1288 N CB 0.235 38.718 38.487 -0.006 0.000 1.014 1288 N HN 0.623 nan 8.380 nan 0.000 0.512 1289 N N -0.050 118.663 118.700 0.022 0.000 2.414 1289 N HA 0.101 4.837 4.740 -0.006 0.000 0.256 1289 N C 0.618 176.158 175.510 0.051 0.000 1.029 1289 N CA -0.342 52.730 53.050 0.036 0.000 0.948 1289 N CB 0.966 39.479 38.487 0.043 0.000 1.102 1289 N HN -0.180 nan 8.380 nan 0.000 0.496 1290 T N 0.110 114.694 114.554 0.050 0.000 3.129 1290 T HA 0.065 4.411 4.350 -0.006 0.000 0.251 1290 T C 0.850 175.600 174.700 0.082 0.000 1.117 1290 T CA 0.255 62.392 62.100 0.062 0.000 1.034 1290 T CB -0.109 68.787 68.868 0.047 0.000 0.968 1290 T HN 0.576 nan 8.240 nan 0.000 0.526 1291 K N 1.029 121.480 120.400 0.085 0.000 2.399 1291 K HA 0.196 4.513 4.320 -0.006 0.000 0.204 1291 K C 0.512 177.182 176.600 0.117 0.000 1.023 1291 K CA -0.194 56.152 56.287 0.099 0.000 1.127 1291 K CB 0.565 33.119 32.500 0.090 0.000 0.856 1291 K HN 0.485 nan 8.250 nan 0.000 0.514 1292 E N 1.822 122.099 120.200 0.128 0.000 2.414 1292 E HA 0.015 4.362 4.350 -0.006 0.000 0.263 1292 E C -0.899 175.829 176.600 0.214 0.000 1.000 1292 E CA 0.133 56.630 56.400 0.162 0.000 0.914 1292 E CB 0.512 30.311 29.700 0.164 0.000 0.948 1292 E HN 0.134 nan 8.360 nan 0.000 0.444 1293 L N 6.712 128.055 121.223 0.200 0.000 2.316 1293 L HA 0.400 4.736 4.340 -0.006 0.000 0.280 1293 L C -0.485 176.518 176.870 0.222 0.000 1.006 1293 L CA -0.941 54.001 54.840 0.169 0.000 0.836 1293 L CB 0.301 42.438 42.059 0.131 0.000 1.221 1293 L HN 0.444 nan 8.230 nan 0.000 0.418 1294 F N 0.726 120.742 119.950 0.111 0.000 2.480 1294 F HA 0.660 5.184 4.527 -0.005 0.000 0.329 1294 F C -0.008 175.876 175.800 0.140 0.000 1.091 1294 F CA -1.184 56.882 58.000 0.110 0.000 0.972 1294 F CB 1.070 40.123 39.000 0.088 0.000 1.150 1294 F HN 0.330 nan 8.300 nan 0.000 0.467 1295 R N 3.556 124.136 120.500 0.133 0.000 2.267 1295 R HA 0.505 4.842 4.340 -0.006 0.000 0.319 1295 R C -1.720 174.672 176.300 0.152 0.000 1.067 1295 R CA -0.680 55.485 56.100 0.108 0.000 0.936 1295 R CB 0.815 31.224 30.300 0.182 0.000 1.006 1295 R HN 0.860 nan 8.270 nan 0.000 0.452 1296 L N 5.503 126.787 121.223 0.101 0.000 2.345 1296 L HA 0.351 4.688 4.340 -0.006 0.000 0.274 1296 L C -1.042 176.074 176.870 0.411 0.000 0.999 1296 L CA -0.443 54.541 54.840 0.241 0.000 0.849 1296 L CB 1.330 43.473 42.059 0.140 0.000 1.220 1296 L HN 0.644 nan 8.230 nan 0.000 0.422 1297 D N 1.671 122.302 120.400 0.386 0.000 2.377 1297 D HA 0.184 4.821 4.640 -0.006 0.000 0.245 1297 D C -0.289 176.290 176.300 0.465 0.000 1.196 1297 D CA 0.024 54.285 54.000 0.435 0.000 0.962 1297 D CB 1.412 42.448 40.800 0.393 0.000 1.127 1297 D HN 0.442 nan 8.370 nan 0.000 0.471 1298 S N 0.205 116.076 115.700 0.286 0.000 2.525 1298 S HA 0.494 4.961 4.470 -0.006 0.000 0.290 1298 S C -2.638 172.017 174.600 0.092 0.000 1.152 1298 S CA -1.507 56.733 58.200 0.067 0.000 1.072 1298 S CB 1.157 64.021 63.200 -0.560 0.000 1.027 1298 S HN 0.149 nan 8.310 nan 0.000 0.500 1299 P HA 0.264 nan 4.420 nan 0.000 0.279 1299 P C -1.298 176.109 177.300 0.179 0.000 1.239 1299 P CA -0.504 62.654 63.100 0.097 0.000 0.789 1299 P CB 0.827 32.534 31.700 0.011 0.000 0.933 1300 A N 2.916 125.871 122.820 0.224 0.000 2.805 1300 A HA 0.388 4.704 4.320 -0.006 0.000 0.301 1300 A C 1.013 178.607 177.584 0.016 0.000 1.557 1300 A CA -0.186 51.898 52.037 0.077 0.000 1.254 1300 A CB -1.232 17.659 19.000 -0.183 0.000 1.114 1300 A HN 0.613 nan 8.150 nan 0.000 0.553 1301 T N -0.015 114.563 114.554 0.040 0.000 2.754 1301 T HA 0.343 4.690 4.350 -0.006 0.000 0.286 1301 T C -1.659 173.056 174.700 0.024 0.000 0.997 1301 T CA -1.241 60.874 62.100 0.025 0.000 0.982 1301 T CB 0.319 69.198 68.868 0.019 0.000 1.027 1301 T HN 0.196 nan 8.240 nan 0.000 0.529 1302 P HA -0.105 nan 4.420 nan 0.000 0.216 1302 P C 1.547 178.857 177.300 0.017 0.000 1.150 1302 P CA 1.160 64.274 63.100 0.023 0.000 0.837 1302 P CB 0.025 31.730 31.700 0.009 0.000 0.786 1303 E N 0.429 120.636 120.200 0.012 0.000 2.049 1303 E HA -0.257 4.090 4.350 -0.006 0.000 0.198 1303 E C 1.799 178.420 176.600 0.035 0.000 1.007 1303 E CA 1.556 57.966 56.400 0.016 0.000 0.809 1303 E CB -0.206 29.499 29.700 0.008 0.000 0.749 1303 E HN 0.149 nan 8.360 nan 0.000 0.450 1304 K N 0.079 120.508 120.400 0.048 0.000 2.057 1304 K HA -0.108 4.208 4.320 -0.006 0.000 0.206 1304 K C 2.323 178.960 176.600 0.062 0.000 1.050 1304 K CA 1.320 57.650 56.287 0.072 0.000 0.935 1304 K CB -0.162 32.396 32.500 0.096 0.000 0.715 1304 K HN 0.271 nan 8.250 nan 0.000 0.439 1305 I N 0.669 121.259 120.570 0.033 0.000 2.226 1305 I HA -0.279 3.887 4.170 -0.006 0.000 0.245 1305 I C 2.612 178.747 176.117 0.031 0.000 1.100 1305 I CA 1.073 62.384 61.300 0.018 0.000 1.374 1305 I CB -0.145 37.853 38.000 -0.003 0.000 1.057 1305 I HN 0.077 nan 8.210 nan 0.000 0.413 1306 R N 1.484 122.005 120.500 0.034 0.000 2.073 1306 R HA -0.087 4.249 4.340 -0.006 0.000 0.229 1306 R C 1.896 178.223 176.300 0.044 0.000 1.120 1306 R CA 1.544 57.668 56.100 0.039 0.000 0.967 1306 R CB -0.470 29.845 30.300 0.026 0.000 0.862 1306 R HN 0.269 nan 8.270 nan 0.000 0.436 1307 N N 0.342 119.067 118.700 0.043 0.000 2.309 1307 N HA -0.072 4.664 4.740 -0.006 0.000 0.182 1307 N C 1.258 176.791 175.510 0.037 0.000 1.018 1307 N CA 1.411 54.488 53.050 0.046 0.000 0.876 1307 N CB -0.277 38.242 38.487 0.052 0.000 0.972 1307 N HN 0.355 nan 8.380 nan 0.000 0.434 1308 A N -0.342 122.495 122.820 0.028 0.000 2.067 1308 A HA 0.011 4.328 4.320 -0.006 0.000 0.217 1308 A C 1.095 178.612 177.584 -0.111 0.000 1.156 1308 A CA 0.267 52.281 52.037 -0.039 0.000 0.683 1308 A CB -0.272 18.729 19.000 0.002 0.000 0.808 1308 A HN 0.324 nan 8.150 nan 0.000 0.455 1309 C N 1.886 121.170 119.300 -0.027 0.000 2.756 1309 C HA 0.404 4.861 4.460 -0.006 0.000 0.504 1309 C C 0.585 175.608 174.990 0.054 0.000 1.028 1309 C CA -0.891 58.133 59.018 0.011 0.000 1.167 1309 C CB -2.160 25.625 27.740 0.075 0.000 1.444 1309 C HN 0.300 nan 8.230 nan 0.000 0.577 1310 V N 4.619 124.539 119.914 0.010 0.000 2.521 1310 V HA 0.327 4.443 4.120 -0.006 0.000 0.286 1310 V C 0.215 176.348 176.094 0.064 0.000 1.034 1310 V CA 0.684 63.003 62.300 0.033 0.000 1.045 1310 V CB 0.751 32.575 31.823 0.002 0.000 0.974 1310 V HN 0.879 nan 8.190 nan 0.000 0.480 1311 D N 3.026 123.468 120.400 0.070 0.000 2.838 1311 D HA 0.190 4.827 4.640 -0.006 0.000 0.334 1311 D C 0.557 176.834 176.300 -0.039 0.000 1.315 1311 D CA -0.536 53.493 54.000 0.049 0.000 0.917 1311 D CB 0.743 41.627 40.800 0.140 0.000 1.435 1311 D HN 0.340 nan 8.370 nan 0.000 0.517 1312 K N -0.455 119.834 120.400 -0.184 0.000 2.360 1312 K HA 0.004 4.321 4.320 -0.006 0.000 0.201 1312 K C 1.220 177.531 176.600 -0.482 0.000 1.046 1312 K CA 1.075 57.140 56.287 -0.371 0.000 0.945 1312 K CB -0.490 31.712 32.500 -0.496 0.000 0.750 1312 K HN 0.280 nan 8.250 nan 0.000 0.464 1313 F N 2.301 122.250 119.950 -0.002 0.000 2.262 1313 F HA -0.077 4.447 4.527 -0.005 0.000 0.292 1313 F C 2.957 178.749 175.800 -0.012 0.000 1.081 1313 F CA 1.230 59.213 58.000 -0.028 0.000 1.355 1313 F CB -0.518 38.443 39.000 -0.065 0.000 1.069 1313 F HN 0.156 nan 8.300 nan 0.000 0.506 1314 T N -2.755 111.889 114.554 0.151 0.000 2.737 1314 T HA -0.122 4.225 4.350 -0.006 0.000 0.265 1314 T C 1.765 176.493 174.700 0.047 0.000 1.038 1314 T CA 2.015 64.170 62.100 0.090 0.000 1.144 1314 T CB -0.878 68.037 68.868 0.078 0.000 0.866 1314 T HN 0.512 nan 8.240 nan 0.000 0.434 1315 T N 2.234 116.801 114.554 0.022 0.000 13.799 1315 T HA -0.301 4.045 4.350 -0.006 0.000 0.419 1315 T C 0.557 175.255 174.700 -0.004 0.000 1.441 1315 T CA 1.272 63.367 62.100 -0.008 0.000 2.344 1315 T CB -2.202 66.653 68.868 -0.022 0.000 2.779 1315 T HN 0.650 nan 8.240 nan 0.000 0.440 1316 L N 2.722 123.945 121.223 0.000 0.000 7.785 1316 L HA 0.001 4.337 4.340 -0.006 0.000 0.314 1316 L C 2.220 179.064 176.870 -0.044 0.000 1.786 1316 L CA 0.339 55.166 54.840 -0.022 0.000 0.565 1316 L CB -3.000 39.061 42.059 0.005 0.000 1.408 1316 L HN 0.740 nan 8.230 nan 0.000 0.234 1317 C N 0.020 119.283 119.300 -0.061 0.000 2.348 1317 C HA -0.055 4.402 4.460 -0.006 0.000 0.344 1317 C C 1.966 176.856 174.990 -0.168 0.000 1.612 1317 C CA 0.737 59.698 59.018 -0.095 0.000 1.439 1317 C CB -2.438 25.246 27.740 -0.092 0.000 1.351 1317 C HN 0.750 nan 8.230 nan 0.000 0.643 1318 V N -3.102 116.708 119.914 -0.174 0.000 3.398 1318 V HA 0.230 4.347 4.120 -0.006 0.000 0.298 1318 V C 1.247 177.313 176.094 -0.046 0.000 1.496 1318 V CA 0.687 62.912 62.300 -0.125 0.000 1.044 1318 V CB -1.264 30.450 31.823 -0.182 0.000 0.880 1318 V HN 0.640 nan 8.190 nan 0.000 0.443 1319 T N -0.330 114.211 114.554 -0.022 0.000 13.111 1319 T HA -0.146 4.200 4.350 -0.006 0.000 0.393 1319 T C 0.757 175.447 174.700 -0.018 0.000 1.464 1319 T CA 1.450 63.539 62.100 -0.019 0.000 2.201 1319 T CB -1.903 66.960 68.868 -0.008 0.000 2.606 1319 T HN 2.163 nan 8.240 nan 0.000 0.364 1320 G N -0.177 108.611 108.800 -0.019 0.000 2.605 1320 G HA2 0.917 4.874 3.960 -0.006 0.000 0.296 1320 G HA3 0.917 4.874 3.960 -0.006 0.000 0.296 1320 G C 0.080 174.970 174.900 -0.017 0.000 1.304 1320 G CA -0.105 44.980 45.100 -0.026 0.000 0.941 1320 G HN 1.479 nan 8.290 nan 0.000 0.475 1321 A N 0.477 123.287 122.820 -0.017 0.000 1.807 1321 A HA 0.728 5.045 4.320 -0.006 0.000 0.178 1321 A C -1.540 176.036 177.584 -0.013 0.000 2.008 1321 A CA 0.233 52.258 52.037 -0.021 0.000 1.178 1321 A CB -0.504 18.479 19.000 -0.027 0.000 0.966 1321 A HN 0.611 nan 8.150 nan 0.000 0.653 1322 P HA 0.359 nan 4.420 nan 0.000 0.289 1322 P C 0.718 178.010 177.300 -0.013 0.000 1.299 1322 P CA 0.428 63.521 63.100 -0.011 0.000 0.766 1322 P CB -0.344 31.352 31.700 -0.007 0.000 1.226 1323 G N -1.366 107.427 108.800 -0.013 0.000 3.255 1323 G HA2 0.235 4.192 3.960 -0.006 0.000 0.249 1323 G HA3 0.235 4.192 3.960 -0.006 0.000 0.249 1323 G C 0.346 175.242 174.900 -0.007 0.000 1.269 1323 G CA 0.757 45.851 45.100 -0.011 0.000 0.904 1323 G HN 1.155 nan 8.290 nan 0.000 0.627 1324 N N -2.853 115.845 118.700 -0.004 0.000 2.956 1324 N HA 0.268 5.004 4.740 -0.006 0.000 0.359 1324 N C 1.152 176.664 175.510 0.002 0.000 1.205 1324 N CA 0.697 53.744 53.050 -0.005 0.000 0.843 1324 N CB -0.510 37.973 38.487 -0.007 0.000 2.074 1324 N HN 2.311 nan 8.380 nan 0.000 0.331 1325 C N 2.113 121.415 119.300 0.003 0.000 2.319 1325 C HA 0.039 4.496 4.460 -0.006 0.000 0.220 1325 C C 0.997 175.991 174.990 0.006 0.000 1.171 1325 C CA 1.622 60.644 59.018 0.006 0.000 2.806 1325 C CB -2.791 24.955 27.740 0.011 0.000 1.681 1325 C HN 2.285 nan 8.230 nan 0.000 0.321 1326 K N 3.385 123.788 120.400 0.004 0.000 2.365 1326 K HA 0.061 4.378 4.320 -0.006 0.000 0.242 1326 K C -1.226 175.376 176.600 0.004 0.000 1.078 1326 K CA 1.153 57.442 56.287 0.004 0.000 1.143 1326 K CB -0.497 32.001 32.500 -0.005 0.000 0.735 1326 K HN 0.755 nan 8.250 nan 0.000 0.494 1327 P HA 0.208 nan 4.420 nan 0.000 0.274 1327 P C -0.257 177.049 177.300 0.010 0.000 1.260 1327 P CA 0.515 63.619 63.100 0.006 0.000 0.793 1327 P CB 0.327 32.026 31.700 -0.001 0.000 1.048 1328 W N 0.000 121.303 121.300 0.004 0.000 2.388 1328 W HA 0.000 4.657 4.660 -0.006 0.000 0.303 1328 W CA 0.000 57.348 57.345 0.005 0.000 1.226 1328 W CB 0.000 29.459 29.460 -0.002 0.000 1.126 1328 W HN 0.000 nan 8.180 nan 0.000 0.535