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 3pt6_1_B DATA FIRST_RESID 650 DATA SEQUENCE AMKRRRCGVC EVCQQPECGK CKACKDMVKF GGTGRSKQAC LKRRCPNLAV DATA SEQUENCE KEADDDEEAD DDVSEMPSPK KLHQGKKKKQ NKDRISWLGQ PMKIEENRTY DATA SEQUENCE YQKVSIDEEM LEVGDCVSVI PDDSSKPLYL ARVTALWEDK NGQMMFHAHW DATA SEQUENCE FCAGTDTVLG ATSDPLELFL VGECENMQLS YIHSKVKVIY KAPSENWAME DATA SEQUENCE GGXXXXXXXX XXXDGKTYFF QLWYNQEYAR FESPPKTQPT EDNKHKFCLS DATA SEQUENCE CIRLAELRQK EMPKVLEQIE EVDGRVYCSS ITKNGVVYRL GDSVYLPPEA DATA SEQUENCE FTFNIKVASP VKRPKKDPVN ETLYPEHYRK YSDYIKGSNL DAPEPYRIGR DATA SEQUENCE IKEIHCGKKK GKVNEADIKL RLYKFYRPEN THRSYNGSYH TDINMLYWSD DATA SEQUENCE EEAVVNFSDV QGRCTVEYGE DLLESIQDYS QGGPDRFYFL EAYNSKTKNF DATA SEQUENCE EDPPNHARSP GNKXXXXXXX XXXXXXXXXX XXXXXXXXKL PKLRTLDVFS DATA SEQUENCE GCGGLSEGFH QAGISETLWA IEMWDPAAQA FRLNNPGTTV FTEDCNVLLK DATA SEQUENCE LVMAGEVTNS LGQRLPQKGD VEMLCGGPPC QGFSGMNRFN SRTYSKFKNS DATA SEQUENCE LVVSFLSYCD YYRPRFFLLE NVRNFVSYRR SMVLKLTLRC LVRMGYQCTF DATA SEQUENCE GVLQAGQYGV AQTRRRAIIL AAAPGEKLPL FPEPLHVFAP RACQLSVVVD DATA SEQUENCE DKKFVSNITR LSSGPFRTIT VRDTMSDLPE IQNGASNSEI PYNGEPLSWF DATA SEQUENCE QRQLRGSHYQ PILRDHICKD MSPLVAARMR HIPLFPGSDW RDLPNIQVRL DATA SEQUENCE GDGVIAHKLQ YTFHDVKNGY SSTGALRGVC SCAEGKACDP ESRQFSTLIP DATA SEQUENCE WCLPHTGNRH NHWAGLYGRL EWDGFFSTTV TNPEPMGKQG RVLHPEQHRV DATA SEQUENCE VSVRECARSQ GFPDSYRFFG NILDRHRQVG NAVPPPLAKA IGLEIKLCLL DATA SEQUENCE S 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 650 A HA 0.000 nan 4.320 nan 0.000 0.244 650 A C 0.000 177.642 177.584 0.096 0.000 1.274 650 A CA 0.000 52.096 52.037 0.098 0.000 0.836 650 A CB 0.000 19.064 19.000 0.107 0.000 0.831 651 M N -1.288 118.371 119.600 0.099 0.000 2.331 651 M HA 0.618 5.095 4.480 -0.006 0.000 0.249 651 M C -0.656 175.679 176.300 0.058 0.000 1.010 651 M CA -0.258 55.084 55.300 0.070 0.000 0.939 651 M CB 0.528 33.165 32.600 0.062 0.000 2.126 651 M HN 0.230 nan 8.290 nan 0.000 0.472 652 K N 2.823 123.247 120.400 0.040 0.000 2.382 652 K HA 0.599 4.916 4.320 -0.006 0.000 0.275 652 K C -0.210 176.400 176.600 0.016 0.000 1.009 652 K CA -0.137 56.171 56.287 0.035 0.000 0.970 652 K CB 0.384 32.902 32.500 0.029 0.000 0.934 652 K HN 0.901 nan 8.250 nan 0.000 0.479 653 R N 0.564 121.078 120.500 0.023 0.000 2.532 653 R HA 0.667 5.003 4.340 -0.006 0.000 0.295 653 R C -0.116 176.189 176.300 0.008 0.000 0.968 653 R CA -1.016 55.087 56.100 0.006 0.000 0.916 653 R CB 1.315 31.631 30.300 0.026 0.000 1.124 653 R HN 0.813 nan 8.270 nan 0.000 0.463 654 R N 0.919 121.416 120.500 -0.005 0.000 2.797 654 R HA 0.421 4.757 4.340 -0.006 0.000 0.251 654 R C -0.442 175.858 176.300 0.001 0.000 1.107 654 R CA -1.152 54.948 56.100 0.000 0.000 1.084 654 R CB 0.695 30.992 30.300 -0.004 0.000 1.205 654 R HN 0.801 nan 8.270 nan 0.000 0.515 655 R N 0.383 120.886 120.500 0.004 0.000 2.539 655 R HA 0.269 4.606 4.340 -0.006 0.000 0.275 655 R C -0.125 176.171 176.300 -0.006 0.000 1.077 655 R CA -0.590 55.512 56.100 0.002 0.000 1.097 655 R CB 0.265 30.569 30.300 0.006 0.000 1.018 655 R HN 0.870 nan 8.270 nan 0.000 0.483 656 C N 0.855 120.148 119.300 -0.012 0.000 2.639 656 C HA 0.522 4.979 4.460 -0.006 0.000 0.360 656 C C 1.770 176.746 174.990 -0.022 0.000 1.351 656 C CA 0.028 59.033 59.018 -0.021 0.000 2.408 656 C CB 0.298 28.019 27.740 -0.031 0.000 2.517 656 C HN 0.954 nan 8.230 nan 0.000 0.696 657 G N -0.159 108.623 108.800 -0.030 0.000 2.486 657 G HA2 0.253 4.209 3.960 -0.006 0.000 0.210 657 G HA3 0.253 4.209 3.960 -0.006 0.000 0.210 657 G C 1.462 176.325 174.900 -0.061 0.000 1.168 657 G CA 0.912 45.991 45.100 -0.035 0.000 0.820 657 G HN 1.383 nan 8.290 nan 0.000 0.544 658 V N 1.897 121.762 119.914 -0.081 0.000 2.332 658 V HA -0.068 4.048 4.120 -0.006 0.000 0.248 658 V C 2.342 178.375 176.094 -0.101 0.000 1.055 658 V CA 1.626 63.853 62.300 -0.121 0.000 1.038 658 V CB -1.310 30.433 31.823 -0.133 0.000 0.651 658 V HN 0.629 nan 8.190 nan 0.000 0.450 659 C N 0.245 119.504 119.300 -0.068 0.000 2.837 659 C HA 0.118 4.575 4.460 -0.006 0.000 0.381 659 C C 1.821 176.795 174.990 -0.026 0.000 1.298 659 C CA 0.394 59.384 59.018 -0.046 0.000 2.083 659 C CB 0.385 28.107 27.740 -0.030 0.000 2.664 659 C HN 0.663 nan 8.230 nan 0.000 0.736 660 E N 0.539 120.737 120.200 -0.003 0.000 2.122 660 E HA -0.073 4.273 4.350 -0.006 0.000 0.190 660 E C 2.127 178.744 176.600 0.028 0.000 0.977 660 E CA 0.999 57.411 56.400 0.020 0.000 0.820 660 E CB -0.714 29.008 29.700 0.037 0.000 0.770 660 E HN 0.683 nan 8.360 nan 0.000 0.462 661 V N 0.778 120.704 119.914 0.019 0.000 2.667 661 V HA -0.182 3.935 4.120 -0.006 0.000 0.252 661 V C 2.178 178.286 176.094 0.023 0.000 1.065 661 V CA 1.240 63.553 62.300 0.021 0.000 1.083 661 V CB -0.386 31.444 31.823 0.012 0.000 0.692 661 V HN 0.277 nan 8.190 nan 0.000 0.468 662 C N 0.161 119.469 119.300 0.014 0.000 2.411 662 C HA -0.165 4.292 4.460 -0.006 0.000 0.279 662 C C 2.645 177.651 174.990 0.025 0.000 1.288 662 C CA 1.509 60.536 59.018 0.014 0.000 1.764 662 C CB -1.056 26.683 27.740 -0.002 0.000 1.974 662 C HN 0.674 nan 8.230 nan 0.000 0.498 663 Q N -0.187 119.630 119.800 0.028 0.000 2.123 663 Q HA -0.043 4.294 4.340 -0.006 0.000 0.196 663 Q C 0.718 176.765 176.000 0.079 0.000 0.958 663 Q CA 0.417 56.245 55.803 0.041 0.000 0.841 663 Q CB -0.258 28.495 28.738 0.026 0.000 0.915 663 Q HN 0.703 nan 8.270 nan 0.000 0.455 664 Q N 2.730 122.592 119.800 0.102 0.000 2.362 664 Q HA -0.020 4.316 4.340 -0.006 0.000 0.305 664 Q C -2.251 173.821 176.000 0.121 0.000 1.120 664 Q CA -0.844 55.051 55.803 0.154 0.000 1.011 664 Q CB -0.196 28.599 28.738 0.095 0.000 1.048 664 Q HN 0.090 nan 8.270 nan 0.000 0.386 665 P HA -0.083 nan 4.420 nan 0.000 0.272 665 P C -0.721 176.640 177.300 0.100 0.000 1.223 665 P CA -0.223 62.950 63.100 0.122 0.000 0.784 665 P CB 0.463 32.244 31.700 0.135 0.000 0.923 666 E N 1.236 121.502 120.200 0.110 0.000 2.360 666 E HA 0.031 4.378 4.350 -0.006 0.000 0.269 666 E C 0.688 177.325 176.600 0.063 0.000 1.022 666 E CA -0.567 55.881 56.400 0.080 0.000 0.887 666 E CB 0.170 29.938 29.700 0.114 0.000 0.990 666 E HN 0.548 nan 8.360 nan 0.000 0.426 667 C N 2.710 121.985 119.300 -0.042 0.000 2.396 667 C HA 0.129 4.586 4.460 -0.006 0.000 0.281 667 C C 1.849 176.759 174.990 -0.133 0.000 1.208 667 C CA 0.738 59.707 59.018 -0.081 0.000 1.754 667 C CB -1.703 25.963 27.740 -0.124 0.000 2.044 667 C HN 1.077 nan 8.230 nan 0.000 0.449 668 G N -0.942 107.611 108.800 -0.411 0.000 2.175 668 G HA2 0.203 4.159 3.960 -0.006 0.000 0.182 668 G HA3 0.203 4.159 3.960 -0.006 0.000 0.182 668 G C 0.697 175.305 174.900 -0.487 0.000 1.003 668 G CA 0.860 45.455 45.100 -0.842 0.000 0.666 668 G HN 1.132 nan 8.290 nan 0.000 0.506 669 K N -0.869 119.346 120.400 -0.308 0.000 2.380 669 K HA 0.629 4.946 4.320 -0.006 0.000 0.198 669 K C 1.161 177.656 176.600 -0.175 0.000 1.070 669 K CA 1.004 57.174 56.287 -0.195 0.000 1.040 669 K CB -0.264 32.159 32.500 -0.129 0.000 0.903 669 K HN 0.809 nan 8.250 nan 0.000 0.549 670 C N 2.250 121.429 119.300 -0.203 0.000 2.634 670 C HA 0.072 4.529 4.460 -0.006 0.000 0.417 670 C C 2.183 177.102 174.990 -0.120 0.000 1.334 670 C CA 0.288 59.220 59.018 -0.143 0.000 1.829 670 C CB 0.742 28.401 27.740 -0.135 0.000 2.665 670 C HN 0.784 nan 8.230 nan 0.000 0.614 671 K N 2.001 122.355 120.400 -0.078 0.000 2.160 671 K HA -0.194 4.122 4.320 -0.006 0.000 0.206 671 K C 1.877 178.447 176.600 -0.050 0.000 1.047 671 K CA 1.977 58.231 56.287 -0.055 0.000 0.930 671 K CB -0.138 32.340 32.500 -0.037 0.000 0.720 671 K HN 0.821 nan 8.250 nan 0.000 0.450 672 A N 0.442 123.229 122.820 -0.055 0.000 1.898 672 A HA -0.080 4.237 4.320 -0.006 0.000 0.214 672 A C 2.367 179.922 177.584 -0.049 0.000 1.183 672 A CA 1.153 53.168 52.037 -0.037 0.000 0.622 672 A CB -0.723 18.261 19.000 -0.026 0.000 0.824 672 A HN 0.528 nan 8.150 nan 0.000 0.444 673 C N -0.607 118.613 119.300 -0.134 0.000 2.440 673 C HA -0.029 4.428 4.460 -0.006 0.000 0.278 673 C C 2.671 177.524 174.990 -0.228 0.000 1.295 673 C CA 1.309 60.159 59.018 -0.279 0.000 1.738 673 C CB -0.888 26.484 27.740 -0.614 0.000 1.987 673 C HN 0.543 nan 8.230 nan 0.000 0.492 674 K N 1.145 121.447 120.400 -0.163 0.000 2.074 674 K HA -0.167 4.150 4.320 -0.006 0.000 0.209 674 K C 1.501 178.126 176.600 0.042 0.000 1.048 674 K CA 1.753 58.007 56.287 -0.055 0.000 0.926 674 K CB -0.560 31.912 32.500 -0.048 0.000 0.713 674 K HN 0.457 nan 8.250 nan 0.000 0.444 675 D N -0.596 119.824 120.400 0.033 0.000 2.371 675 D HA -0.022 4.615 4.640 -0.006 0.000 0.221 675 D C -0.152 176.202 176.300 0.089 0.000 0.986 675 D CA 0.234 54.265 54.000 0.052 0.000 0.899 675 D CB 0.116 40.934 40.800 0.030 0.000 0.902 675 D HN 0.130 nan 8.370 nan 0.000 0.530 676 M N 0.354 120.047 119.600 0.155 0.000 2.228 676 M HA 0.026 4.502 4.480 -0.006 0.000 0.351 676 M C 1.891 178.276 176.300 0.142 0.000 1.233 676 M CA -0.342 55.066 55.300 0.180 0.000 1.129 676 M CB 1.839 34.625 32.600 0.310 0.000 1.604 676 M HN -0.116 nan 8.290 nan 0.000 0.457 677 V N 2.090 122.047 119.914 0.071 0.000 2.688 677 V HA -0.266 3.851 4.120 -0.006 0.000 0.256 677 V C 1.780 177.869 176.094 -0.009 0.000 1.084 677 V CA 1.808 64.128 62.300 0.032 0.000 1.103 677 V CB -0.851 30.981 31.823 0.014 0.000 0.688 677 V HN 0.916 nan 8.190 nan 0.000 0.480 678 K N 0.060 120.426 120.400 -0.057 0.000 2.097 678 K HA 0.016 4.333 4.320 -0.006 0.000 0.205 678 K C 1.528 177.899 176.600 -0.382 0.000 1.050 678 K CA 1.858 57.988 56.287 -0.262 0.000 0.938 678 K CB -0.303 31.943 32.500 -0.422 0.000 0.718 678 K HN 0.612 nan 8.250 nan 0.000 0.442 679 F N -0.448 119.506 119.950 0.007 0.000 2.639 679 F HA 0.263 4.788 4.527 -0.003 0.000 0.300 679 F C 1.375 177.177 175.800 0.004 0.000 1.109 679 F CA 0.160 58.163 58.000 0.005 0.000 1.335 679 F CB 0.986 39.988 39.000 0.003 0.000 1.014 679 F HN 0.216 nan 8.300 nan 0.000 0.537 680 G N -0.227 108.638 108.800 0.109 0.000 2.308 680 G HA2 -0.221 3.735 3.960 -0.006 0.000 0.221 680 G HA3 -0.221 3.735 3.960 -0.006 0.000 0.221 680 G C 0.966 175.907 174.900 0.067 0.000 1.032 680 G CA -0.398 44.745 45.100 0.072 0.000 0.623 680 G HN 0.705 nan 8.290 nan 0.000 0.506 681 G N 0.202 109.058 108.800 0.093 0.000 2.647 681 G HA2 0.412 4.368 3.960 -0.006 0.000 0.234 681 G HA3 0.412 4.368 3.960 -0.006 0.000 0.234 681 G C 1.352 176.282 174.900 0.050 0.000 1.252 681 G CA 1.323 46.465 45.100 0.068 0.000 0.846 681 G HN 1.340 nan 8.290 nan 0.000 0.589 682 T N -2.141 112.436 114.554 0.037 0.000 2.951 682 T HA 0.246 4.593 4.350 -0.006 0.000 0.268 682 T C 1.823 176.540 174.700 0.029 0.000 1.073 682 T CA 1.111 63.228 62.100 0.029 0.000 1.134 682 T CB -0.051 68.831 68.868 0.022 0.000 0.884 682 T HN 2.210 nan 8.240 nan 0.000 0.479 683 G N 1.796 110.617 108.800 0.035 0.000 2.140 683 G HA2 -0.224 3.733 3.960 -0.006 0.000 0.211 683 G HA3 -0.224 3.733 3.960 -0.006 0.000 0.211 683 G C 0.743 175.660 174.900 0.028 0.000 1.013 683 G CA 0.091 45.212 45.100 0.035 0.000 0.705 683 G HN 0.565 nan 8.290 nan 0.000 0.508 684 R N 0.029 120.543 120.500 0.025 0.000 2.265 684 R HA 0.252 4.589 4.340 -0.006 0.000 0.194 684 R C 2.430 178.741 176.300 0.019 0.000 0.931 684 R CA 0.792 56.904 56.100 0.020 0.000 1.032 684 R CB -0.052 30.258 30.300 0.017 0.000 0.980 684 R HN 0.327 nan 8.270 nan 0.000 0.497 685 S N 1.407 117.119 115.700 0.020 0.000 2.387 685 S HA -0.078 4.389 4.470 -0.006 0.000 0.226 685 S C 0.546 175.158 174.600 0.020 0.000 1.026 685 S CA 0.810 59.020 58.200 0.018 0.000 0.972 685 S CB 0.007 63.217 63.200 0.016 0.000 0.814 685 S HN 0.250 nan 8.310 nan 0.000 0.477 686 K N 0.534 120.949 120.400 0.025 0.000 3.077 686 K HA -0.131 4.186 4.320 -0.006 0.000 0.264 686 K C -0.615 176.000 176.600 0.025 0.000 1.008 686 K CA 0.510 56.813 56.287 0.026 0.000 0.740 686 K CB -1.000 31.514 32.500 0.023 0.000 1.273 686 K HN 0.439 nan 8.250 nan 0.000 0.477 687 Q N -0.860 118.954 119.800 0.025 0.000 2.445 687 Q HA 0.726 5.062 4.340 -0.006 0.000 0.281 687 Q C 0.047 176.062 176.000 0.026 0.000 1.101 687 Q CA -0.373 55.443 55.803 0.021 0.000 0.833 687 Q CB 1.870 30.616 28.738 0.013 0.000 1.416 687 Q HN 0.259 nan 8.270 nan 0.000 0.451 688 A N 0.061 122.894 122.820 0.023 0.000 2.298 688 A HA 0.420 4.736 4.320 -0.006 0.000 0.302 688 A C -0.272 177.321 177.584 0.015 0.000 1.177 688 A CA -0.477 51.577 52.037 0.028 0.000 0.912 688 A CB 0.412 19.428 19.000 0.027 0.000 1.331 688 A HN 0.781 nan 8.150 nan 0.000 0.504 689 C N -0.602 118.709 119.300 0.017 0.000 2.648 689 C HA 0.407 4.864 4.460 -0.006 0.000 0.419 689 C C 2.191 177.173 174.990 -0.013 0.000 1.352 689 C CA 0.186 59.200 59.018 -0.007 0.000 1.816 689 C CB -1.210 26.532 27.740 0.002 0.000 2.598 689 C HN 1.148 nan 8.230 nan 0.000 0.598 690 L N 4.661 125.867 121.223 -0.028 0.000 2.187 690 L HA 0.038 4.375 4.340 -0.006 0.000 0.213 690 L C 2.490 179.346 176.870 -0.023 0.000 1.100 690 L CA 2.716 57.541 54.840 -0.025 0.000 0.765 690 L CB -2.088 39.950 42.059 -0.034 0.000 0.904 690 L HN 1.038 nan 8.230 nan 0.000 0.437 691 K N -0.133 120.250 120.400 -0.028 0.000 2.444 691 K HA 0.182 4.498 4.320 -0.006 0.000 0.193 691 K C 1.603 178.200 176.600 -0.006 0.000 1.024 691 K CA 0.410 56.681 56.287 -0.026 0.000 1.077 691 K CB -0.332 32.142 32.500 -0.043 0.000 0.833 691 K HN 0.773 nan 8.250 nan 0.000 0.517 692 R N 1.111 121.612 120.500 0.001 0.000 2.776 692 R HA 0.193 4.530 4.340 -0.006 0.000 0.391 692 R C -0.699 175.607 176.300 0.011 0.000 1.116 692 R CA -0.539 55.569 56.100 0.013 0.000 1.056 692 R CB 0.755 31.070 30.300 0.025 0.000 1.369 692 R HN 0.033 nan 8.270 nan 0.000 0.590 693 R N 1.266 121.769 120.500 0.006 0.000 2.296 693 R HA 0.105 4.442 4.340 -0.006 0.000 0.327 693 R C -0.160 176.145 176.300 0.007 0.000 1.137 693 R CA -0.418 55.686 56.100 0.006 0.000 1.020 693 R CB 0.431 30.733 30.300 0.003 0.000 1.110 693 R HN 0.176 nan 8.270 nan 0.000 0.499 694 C N 6.032 125.337 119.300 0.009 0.000 2.663 694 C HA 0.166 4.623 4.460 -0.006 0.000 0.398 694 C C -0.821 174.174 174.990 0.009 0.000 1.356 694 C CA -1.450 57.572 59.018 0.007 0.000 1.629 694 C CB -0.030 27.714 27.740 0.006 0.000 2.402 694 C HN 0.588 nan 8.230 nan 0.000 0.598 695 P HA -0.059 nan 4.420 nan 0.000 0.216 695 P C 1.180 178.488 177.300 0.012 0.000 1.153 695 P CA 1.296 64.402 63.100 0.010 0.000 0.848 695 P CB -0.034 31.671 31.700 0.007 0.000 0.787 696 N N -0.326 118.377 118.700 0.006 0.000 2.588 696 N HA -0.091 4.645 4.740 -0.006 0.000 0.190 696 N C 0.458 175.974 175.510 0.010 0.000 1.094 696 N CA 0.188 53.240 53.050 0.003 0.000 0.921 696 N CB -1.056 37.423 38.487 -0.013 0.000 0.959 696 N HN 0.080 nan 8.380 nan 0.000 0.448 697 L N 0.717 121.948 121.223 0.014 0.000 2.852 697 L HA 0.050 4.386 4.340 -0.006 0.000 0.281 697 L C 0.122 177.010 176.870 0.031 0.000 1.110 697 L CA -0.192 54.659 54.840 0.019 0.000 1.030 697 L CB -1.006 41.066 42.059 0.022 0.000 1.405 697 L HN 0.129 nan 8.230 nan 0.000 0.464 698 A N 3.888 126.720 122.820 0.021 0.000 2.588 698 A HA 0.668 4.985 4.320 -0.006 0.000 0.290 698 A C -0.727 176.847 177.584 -0.017 0.000 1.136 698 A CA -0.523 51.531 52.037 0.028 0.000 0.681 698 A CB 1.045 20.070 19.000 0.043 0.000 1.282 698 A HN 0.329 nan 8.150 nan 0.000 0.421 699 V N 1.405 121.282 119.914 -0.062 0.000 2.416 699 V HA 0.352 4.468 4.120 -0.006 0.000 0.267 699 V C 1.407 177.424 176.094 -0.129 0.000 1.007 699 V CA 1.419 63.638 62.300 -0.135 0.000 1.102 699 V CB -0.415 31.225 31.823 -0.305 0.000 1.035 699 V HN 1.117 nan 8.190 nan 0.000 0.473 700 K N 2.848 123.200 120.400 -0.081 0.000 2.570 700 K HA 0.428 4.745 4.320 -0.006 0.000 0.210 700 K C 1.537 178.097 176.600 -0.066 0.000 1.048 700 K CA 0.670 56.917 56.287 -0.067 0.000 1.167 700 K CB -0.406 32.069 32.500 -0.041 0.000 0.892 700 K HN 0.899 nan 8.250 nan 0.000 0.480 701 E N 0.488 120.634 120.200 -0.089 0.000 2.110 701 E HA 0.206 4.552 4.350 -0.006 0.000 0.193 701 E C 1.473 178.030 176.600 -0.072 0.000 0.988 701 E CA 0.760 57.114 56.400 -0.076 0.000 0.804 701 E CB -0.840 28.806 29.700 -0.090 0.000 0.745 701 E HN 1.096 nan 8.360 nan 0.000 0.458 702 A N 0.906 123.675 122.820 -0.085 0.000 2.587 702 A HA 0.334 4.651 4.320 -0.006 0.000 0.233 702 A C 0.036 177.595 177.584 -0.043 0.000 1.049 702 A CA 0.628 52.625 52.037 -0.067 0.000 0.754 702 A CB 0.099 19.059 19.000 -0.066 0.000 0.977 702 A HN 0.372 nan 8.150 nan 0.000 0.509 703 D N 0.138 120.519 120.400 -0.033 0.000 2.248 703 D HA 0.541 5.178 4.640 -0.006 0.000 0.246 703 D C 0.015 176.326 176.300 0.018 0.000 1.027 703 D CA 0.763 54.756 54.000 -0.012 0.000 0.853 703 D CB 1.452 42.234 40.800 -0.030 0.000 1.243 703 D HN 0.749 nan 8.370 nan 0.000 0.462 704 D N 1.676 122.094 120.400 0.030 0.000 2.253 704 D HA 0.352 4.989 4.640 -0.006 0.000 0.249 704 D C 0.079 176.416 176.300 0.061 0.000 1.049 704 D CA -0.590 53.435 54.000 0.043 0.000 0.929 704 D CB 0.757 41.582 40.800 0.041 0.000 1.176 704 D HN 0.369 nan 8.370 nan 0.000 0.437 705 D N -0.581 119.853 120.400 0.055 0.000 2.384 705 D HA 0.504 5.141 4.640 -0.006 0.000 0.244 705 D C 0.495 176.823 176.300 0.046 0.000 1.251 705 D CA 0.635 54.664 54.000 0.049 0.000 0.961 705 D CB 0.851 41.672 40.800 0.034 0.000 1.116 705 D HN 0.736 nan 8.370 nan 0.000 0.484 706 E N -1.062 119.159 120.200 0.035 0.000 2.244 706 E HA 0.550 4.897 4.350 -0.006 0.000 0.266 706 E C 0.453 177.069 176.600 0.027 0.000 0.914 706 E CA -0.242 56.177 56.400 0.032 0.000 0.794 706 E CB 0.518 30.233 29.700 0.026 0.000 1.210 706 E HN 0.462 nan 8.360 nan 0.000 0.414 707 E N -0.219 119.998 120.200 0.029 0.000 2.494 707 E HA 0.481 4.828 4.350 -0.006 0.000 0.193 707 E C 0.909 177.521 176.600 0.020 0.000 1.074 707 E CA 0.454 56.873 56.400 0.031 0.000 0.867 707 E CB -0.250 29.472 29.700 0.037 0.000 0.924 707 E HN 1.252 nan 8.360 nan 0.000 0.502 708 A N 0.863 123.690 122.820 0.012 0.000 2.396 708 A HA 0.533 4.850 4.320 -0.006 0.000 0.279 708 A C -0.543 177.045 177.584 0.007 0.000 1.165 708 A CA 0.041 52.081 52.037 0.005 0.000 0.824 708 A CB 0.059 19.058 19.000 -0.001 0.000 1.100 708 A HN 0.347 nan 8.150 nan 0.000 0.516 709 D N 0.609 121.014 120.400 0.008 0.000 2.596 709 D HA 0.454 5.091 4.640 -0.006 0.000 0.262 709 D C -1.151 175.153 176.300 0.008 0.000 1.210 709 D CA -0.348 53.659 54.000 0.012 0.000 0.873 709 D CB 1.660 42.472 40.800 0.020 0.000 1.408 709 D HN 0.588 nan 8.370 nan 0.000 0.441 710 D N -1.329 119.077 120.400 0.009 0.000 2.387 710 D HA 0.377 5.013 4.640 -0.006 0.000 0.255 710 D C 0.825 177.127 176.300 0.004 0.000 1.081 710 D CA 0.242 54.244 54.000 0.004 0.000 0.994 710 D CB 1.134 41.935 40.800 0.002 0.000 1.127 710 D HN 0.431 nan 8.370 nan 0.000 0.513 711 D N 0.631 121.030 120.400 -0.001 0.000 2.158 711 D HA -0.097 4.540 4.640 -0.006 0.000 0.197 711 D C 1.979 178.279 176.300 0.000 0.000 0.995 711 D CA 2.401 56.400 54.000 -0.002 0.000 0.846 711 D CB -1.070 39.725 40.800 -0.007 0.000 0.941 711 D HN 1.048 nan 8.370 nan 0.000 0.456 712 V N -2.175 117.738 119.914 -0.001 0.000 2.251 712 V HA -0.080 4.036 4.120 -0.006 0.000 0.115 712 V C 1.625 177.713 176.094 -0.009 0.000 0.461 712 V CA 2.567 64.866 62.300 -0.002 0.000 1.330 712 V CB -2.656 29.173 31.823 0.009 0.000 1.560 712 V HN 1.474 nan 8.190 nan 0.000 0.964 713 S N 0.502 116.195 115.700 -0.011 0.000 3.870 713 S HA 0.478 4.945 4.470 -0.006 0.000 0.198 713 S C 0.400 174.985 174.600 -0.024 0.000 1.336 713 S CA 0.836 59.026 58.200 -0.016 0.000 1.049 713 S CB -0.123 63.068 63.200 -0.015 0.000 1.412 713 S HN 0.947 nan 8.310 nan 0.000 0.448 714 E N 1.123 121.305 120.200 -0.030 0.000 2.165 714 E HA 0.548 4.894 4.350 -0.006 0.000 0.266 714 E C 0.220 176.788 176.600 -0.054 0.000 0.889 714 E CA -0.650 55.725 56.400 -0.042 0.000 0.756 714 E CB 1.282 30.956 29.700 -0.044 0.000 1.131 714 E HN 0.596 nan 8.360 nan 0.000 0.411 715 M N 4.543 124.108 119.600 -0.058 0.000 2.255 715 M HA 0.108 4.585 4.480 -0.006 0.000 0.356 715 M C -2.064 174.181 176.300 -0.091 0.000 1.338 715 M CA -0.402 54.856 55.300 -0.070 0.000 0.962 715 M CB -1.292 31.266 32.600 -0.069 0.000 1.877 715 M HN 0.246 nan 8.290 nan 0.000 0.463 716 P HA 0.425 nan 4.420 nan 0.000 0.271 716 P C 0.327 177.539 177.300 -0.147 0.000 1.216 716 P CA 0.477 63.502 63.100 -0.126 0.000 0.771 716 P CB 0.013 31.643 31.700 -0.116 0.000 0.864 717 S N 5.104 120.694 115.700 -0.182 0.000 2.553 717 S HA 0.135 4.602 4.470 -0.006 0.000 0.293 717 S C -1.626 172.877 174.600 -0.161 0.000 1.296 717 S CA -0.281 57.813 58.200 -0.176 0.000 1.046 717 S CB -1.228 61.845 63.200 -0.211 0.000 0.810 717 S HN 0.401 nan 8.310 nan 0.000 0.505 718 P HA 0.408 nan 4.420 nan 0.000 0.285 718 P C -1.084 176.120 177.300 -0.160 0.000 1.280 718 P CA -1.015 61.983 63.100 -0.170 0.000 0.862 718 P CB 0.597 32.194 31.700 -0.173 0.000 1.153 719 K N 0.601 120.896 120.400 -0.174 0.000 2.578 719 K HA -0.062 4.255 4.320 -0.006 0.000 0.279 719 K C 1.602 178.114 176.600 -0.146 0.000 0.983 719 K CA 0.612 56.816 56.287 -0.139 0.000 1.078 719 K CB -0.329 32.122 32.500 -0.081 0.000 0.852 719 K HN 0.603 nan 8.250 nan 0.000 0.490 720 K N 2.570 122.859 120.400 -0.186 0.000 2.211 720 K HA -0.082 4.235 4.320 -0.006 0.000 0.203 720 K C 1.709 178.079 176.600 -0.383 0.000 1.050 720 K CA 1.499 57.651 56.287 -0.225 0.000 0.945 720 K CB -0.309 32.073 32.500 -0.197 0.000 0.732 720 K HN 0.481 nan 8.250 nan 0.000 0.451 721 L N -1.114 119.802 121.223 -0.511 0.000 3.069 721 L HA 0.297 4.633 4.340 -0.006 0.000 0.271 721 L C 1.797 178.372 176.870 -0.491 0.000 1.201 721 L CA -0.068 54.264 54.840 -0.845 0.000 1.015 721 L CB 0.367 41.477 42.059 -1.581 0.000 1.371 721 L HN 0.527 nan 8.230 nan 0.000 0.574 722 H N -0.119 118.753 119.070 -0.330 0.000 2.363 722 H HA -0.057 4.495 4.556 -0.006 0.000 0.301 722 H C 2.116 177.372 175.328 -0.120 0.000 1.074 722 H CA 1.387 57.322 56.048 -0.188 0.000 1.354 722 H CB 0.465 30.147 29.762 -0.134 0.000 1.397 722 H HN 0.242 nan 8.280 nan 0.000 0.516 723 Q N 0.426 120.295 119.800 0.115 0.000 2.103 723 Q HA -0.230 4.107 4.340 -0.006 0.000 0.213 723 Q C 1.627 177.626 176.000 -0.003 0.000 1.008 723 Q CA 1.882 57.736 55.803 0.085 0.000 0.879 723 Q CB -0.589 28.174 28.738 0.042 0.000 0.946 723 Q HN 0.785 nan 8.270 nan 0.000 0.413 724 G N -0.605 108.186 108.800 -0.015 0.000 2.557 724 G HA2 -0.472 3.484 3.960 -0.006 0.000 0.292 724 G HA3 -0.472 3.484 3.960 -0.006 0.000 0.292 724 G C 0.557 175.453 174.900 -0.008 0.000 1.162 724 G CA 1.823 46.910 45.100 -0.021 0.000 0.964 724 G HN 0.959 nan 8.290 nan 0.000 0.541 725 K N -1.970 118.413 120.400 -0.028 0.000 3.130 725 K HA 0.221 4.538 4.320 -0.006 0.000 0.282 725 K C 1.576 178.162 176.600 -0.024 0.000 1.145 725 K CA 3.186 59.466 56.287 -0.013 0.000 0.831 725 K CB -2.808 29.687 32.500 -0.008 0.000 1.226 725 K HN 2.708 nan 8.250 nan 0.000 0.478 726 K N 1.497 121.870 120.400 -0.045 0.000 2.472 726 K HA 0.381 4.698 4.320 -0.006 0.000 0.280 726 K C 0.440 177.104 176.600 0.107 0.000 1.028 726 K CA 0.654 56.914 56.287 -0.045 0.000 1.045 726 K CB -0.129 32.341 32.500 -0.050 0.000 0.902 726 K HN 1.264 nan 8.250 nan 0.000 0.478 727 K N 2.015 122.483 120.400 0.113 0.000 2.297 727 K HA 0.203 4.520 4.320 -0.006 0.000 0.286 727 K C 0.059 176.813 176.600 0.257 0.000 1.053 727 K CA -0.696 55.690 56.287 0.166 0.000 0.940 727 K CB 1.207 33.749 32.500 0.071 0.000 1.019 727 K HN 0.575 nan 8.250 nan 0.000 0.475 728 K N 2.908 123.427 120.400 0.199 0.000 2.355 728 K HA -0.022 4.295 4.320 -0.006 0.000 0.270 728 K C -0.524 176.028 176.600 -0.080 0.000 1.003 728 K CA -0.040 56.150 56.287 -0.161 0.000 0.957 728 K CB 0.705 32.847 32.500 -0.598 0.000 0.939 728 K HN 0.603 nan 8.250 nan 0.000 0.482 729 Q N 0.915 120.653 119.800 -0.104 0.000 2.312 729 Q HA 0.176 4.513 4.340 -0.006 0.000 0.263 729 Q C -0.535 175.401 176.000 -0.108 0.000 0.995 729 Q CA -0.419 55.344 55.803 -0.067 0.000 0.853 729 Q CB 1.652 30.370 28.738 -0.034 0.000 1.300 729 Q HN 0.830 nan 8.270 nan 0.000 0.448 730 N N 0.639 119.286 118.700 -0.088 0.000 2.411 730 N HA 0.452 5.189 4.740 -0.006 0.000 0.259 730 N C -0.249 175.205 175.510 -0.093 0.000 1.103 730 N CA -0.019 52.976 53.050 -0.091 0.000 0.954 730 N CB 0.355 38.799 38.487 -0.072 0.000 1.085 730 N HN 0.567 nan 8.380 nan 0.000 0.485 731 K N 0.563 120.901 120.400 -0.104 0.000 2.259 731 K HA 0.512 4.828 4.320 -0.006 0.000 0.249 731 K C 0.211 176.752 176.600 -0.099 0.000 0.942 731 K CA -0.548 55.675 56.287 -0.106 0.000 0.816 731 K CB 0.828 33.254 32.500 -0.123 0.000 1.155 731 K HN 0.605 nan 8.250 nan 0.000 0.428 732 D N 0.442 120.787 120.400 -0.091 0.000 2.077 732 D HA 0.030 4.667 4.640 -0.006 0.000 0.197 732 D C 0.791 177.037 176.300 -0.090 0.000 0.983 732 D CA 2.178 56.129 54.000 -0.081 0.000 0.841 732 D CB 0.230 40.988 40.800 -0.070 0.000 0.992 732 D HN 0.742 nan 8.370 nan 0.000 0.450 733 R N 0.619 121.059 120.500 -0.100 0.000 2.513 733 R HA 0.546 4.882 4.340 -0.006 0.000 0.301 733 R C -0.832 175.378 176.300 -0.150 0.000 0.968 733 R CA -0.522 55.510 56.100 -0.113 0.000 0.872 733 R CB 0.744 30.989 30.300 -0.091 0.000 1.177 733 R HN 0.035 nan 8.270 nan 0.000 0.444 734 I N 2.380 122.833 120.570 -0.194 0.000 2.428 734 I HA 0.483 4.649 4.170 -0.006 0.000 0.279 734 I C 0.440 176.340 176.117 -0.361 0.000 1.040 734 I CA -0.933 60.196 61.300 -0.284 0.000 1.171 734 I CB 0.677 38.481 38.000 -0.327 0.000 1.312 734 I HN 0.885 nan 8.210 nan 0.000 0.470 735 S N 5.512 121.026 115.700 -0.310 0.000 2.454 735 S HA 0.618 5.085 4.470 -0.006 0.000 0.306 735 S C -0.507 173.916 174.600 -0.295 0.000 1.100 735 S CA -0.660 57.370 58.200 -0.284 0.000 1.087 735 S CB 0.584 63.704 63.200 -0.133 0.000 1.019 735 S HN 0.409 nan 8.310 nan 0.000 0.480 736 W N 1.450 122.613 121.300 -0.229 0.000 2.089 736 W HA 0.491 5.147 4.660 -0.006 0.000 0.355 736 W C -0.257 176.161 176.519 -0.170 0.000 1.305 736 W CA -0.277 56.870 57.345 -0.331 0.000 1.281 736 W CB 0.340 29.308 29.460 -0.821 0.000 1.183 736 W HN 0.435 nan 8.180 nan 0.000 0.604 737 L N 1.803 123.145 121.223 0.198 0.000 2.354 737 L HA 0.769 5.106 4.340 -0.006 0.000 0.264 737 L C 0.694 177.687 176.870 0.206 0.000 1.008 737 L CA -0.182 54.751 54.840 0.155 0.000 0.819 737 L CB 1.255 43.382 42.059 0.115 0.000 1.339 737 L HN 0.759 nan 8.230 nan 0.000 0.420 738 G N 1.332 110.229 108.800 0.162 0.000 2.806 738 G HA2 -0.204 3.752 3.960 -0.006 0.000 0.236 738 G HA3 -0.204 3.752 3.960 -0.006 0.000 0.236 738 G C -0.370 174.654 174.900 0.207 0.000 1.387 738 G CA -0.472 44.723 45.100 0.158 0.000 0.884 738 G HN 0.636 nan 8.290 nan 0.000 0.560 739 Q N 0.375 120.260 119.800 0.142 0.000 2.471 739 Q HA 0.369 4.706 4.340 -0.006 0.000 0.223 739 Q C -1.959 174.072 176.000 0.052 0.000 1.045 739 Q CA -0.848 55.016 55.803 0.102 0.000 0.956 739 Q CB 0.215 28.975 28.738 0.036 0.000 1.249 739 Q HN 0.429 nan 8.270 nan 0.000 0.549 740 P HA 0.046 nan 4.420 nan 0.000 0.275 740 P C -0.232 176.901 177.300 -0.280 0.000 1.228 740 P CA 0.224 62.997 63.100 -0.545 0.000 0.786 740 P CB 0.641 31.983 31.700 -0.595 0.000 0.927 741 M N 0.721 120.166 119.600 -0.259 0.000 2.216 741 M HA 0.011 4.488 4.480 -0.006 0.000 0.264 741 M C 0.915 177.086 176.300 -0.215 0.000 1.080 741 M CA 1.576 56.785 55.300 -0.152 0.000 1.153 741 M CB 0.001 32.558 32.600 -0.072 0.000 1.356 741 M HN 0.279 nan 8.290 nan 0.000 0.432 742 K N 0.639 120.885 120.400 -0.256 0.000 2.525 742 K HA 0.507 4.824 4.320 -0.006 0.000 0.254 742 K C -1.796 174.715 176.600 -0.148 0.000 0.934 742 K CA -0.359 55.782 56.287 -0.244 0.000 0.802 742 K CB 2.139 34.363 32.500 -0.459 0.000 1.295 742 K HN 0.059 nan 8.250 nan 0.000 0.433 743 I N 3.668 124.158 120.570 -0.134 0.000 2.354 743 I HA 0.251 4.418 4.170 -0.006 0.000 0.286 743 I C -0.087 175.991 176.117 -0.066 0.000 1.007 743 I CA -0.527 60.705 61.300 -0.114 0.000 1.167 743 I CB 1.594 39.525 38.000 -0.115 0.000 1.320 743 I HN 0.568 nan 8.210 nan 0.000 0.458 744 E N 3.394 123.566 120.200 -0.046 0.000 2.254 744 E HA 0.317 4.664 4.350 -0.006 0.000 0.258 744 E C 1.157 177.732 176.600 -0.042 0.000 1.033 744 E CA -0.125 56.258 56.400 -0.028 0.000 0.893 744 E CB 0.934 30.643 29.700 0.016 0.000 1.204 744 E HN 0.641 nan 8.360 nan 0.000 0.425 745 E N 1.069 121.250 120.200 -0.032 0.000 2.114 745 E HA -0.253 4.093 4.350 -0.006 0.000 0.199 745 E C 0.985 177.568 176.600 -0.028 0.000 1.008 745 E CA 2.169 58.553 56.400 -0.026 0.000 0.810 745 E CB -0.572 29.116 29.700 -0.021 0.000 0.739 745 E HN 0.408 nan 8.360 nan 0.000 0.456 746 N N -0.704 117.969 118.700 -0.045 0.000 2.159 746 N HA 0.138 4.875 4.740 -0.006 0.000 0.217 746 N C 0.163 175.641 175.510 -0.053 0.000 1.223 746 N CA 0.506 53.535 53.050 -0.036 0.000 0.896 746 N CB 0.989 39.456 38.487 -0.032 0.000 1.064 746 N HN 0.652 nan 8.380 nan 0.000 0.518 747 R N -1.278 119.152 120.500 -0.117 0.000 2.663 747 R HA 0.531 4.867 4.340 -0.006 0.000 0.267 747 R C -1.437 174.720 176.300 -0.240 0.000 1.038 747 R CA -0.712 55.280 56.100 -0.180 0.000 0.886 747 R CB 1.125 31.130 30.300 -0.490 0.000 1.249 747 R HN -0.188 nan 8.270 nan 0.000 0.463 748 T N 1.535 115.958 114.554 -0.219 0.000 2.847 748 T HA 0.447 4.794 4.350 -0.006 0.000 0.291 748 T C -1.314 173.140 174.700 -0.411 0.000 0.998 748 T CA -0.447 61.482 62.100 -0.285 0.000 0.967 748 T CB 0.334 69.066 68.868 -0.227 0.000 0.954 748 T HN 0.410 nan 8.240 nan 0.000 0.441 749 Y N 3.838 123.962 120.300 -0.294 0.000 2.299 749 Y HA 0.539 5.086 4.550 -0.006 0.000 0.326 749 Y C -0.021 175.567 175.900 -0.520 0.000 1.164 749 Y CA -0.208 57.776 58.100 -0.193 0.000 1.234 749 Y CB 0.755 39.169 38.460 -0.076 0.000 1.219 749 Y HN 0.604 nan 8.280 nan 0.000 0.497 750 Y N -0.245 120.035 120.300 -0.033 0.000 2.659 750 Y HA 0.277 4.824 4.550 -0.006 0.000 0.333 750 Y C 0.944 176.926 175.900 0.136 0.000 1.064 750 Y CA -0.959 57.110 58.100 -0.053 0.000 1.141 750 Y CB 1.571 39.885 38.460 -0.243 0.000 1.316 750 Y HN 0.519 nan 8.280 nan 0.000 0.509 751 Q N 0.429 120.416 119.800 0.312 0.000 2.211 751 Q HA 0.302 4.638 4.340 -0.006 0.000 0.242 751 Q C -0.584 175.563 176.000 0.245 0.000 0.825 751 Q CA 0.300 56.253 55.803 0.249 0.000 0.951 751 Q CB 0.737 29.578 28.738 0.172 0.000 1.130 751 Q HN 0.699 nan 8.270 nan 0.000 0.496 752 K N -0.058 120.514 120.400 0.286 0.000 2.508 752 K HA 0.732 5.048 4.320 -0.006 0.000 0.260 752 K C -1.630 175.132 176.600 0.269 0.000 0.949 752 K CA -0.369 56.055 56.287 0.228 0.000 0.834 752 K CB 2.341 34.941 32.500 0.166 0.000 1.365 752 K HN -0.007 nan 8.250 nan 0.000 0.437 753 V N 0.790 120.799 119.914 0.158 0.000 3.147 753 V HA 0.748 4.865 4.120 -0.006 0.000 0.299 753 V C -1.175 174.900 176.094 -0.031 0.000 1.302 753 V CA 0.088 62.426 62.300 0.062 0.000 1.015 753 V CB 2.498 34.323 31.823 0.003 0.000 1.086 753 V HN 1.482 nan 8.190 nan 0.000 0.437 754 S N 3.900 119.542 115.700 -0.097 0.000 2.640 754 S HA 0.819 5.285 4.470 -0.006 0.000 0.320 754 S C -0.498 174.015 174.600 -0.145 0.000 1.097 754 S CA -0.050 58.093 58.200 -0.095 0.000 1.092 754 S CB 0.994 64.155 63.200 -0.066 0.000 0.988 754 S HN 1.733 nan 8.310 nan 0.000 0.470 755 I N 0.943 121.432 120.570 -0.135 0.000 2.312 755 I HA 0.675 4.842 4.170 -0.006 0.000 0.290 755 I C 0.436 176.486 176.117 -0.112 0.000 1.008 755 I CA -0.784 60.428 61.300 -0.146 0.000 1.226 755 I CB -0.372 37.534 38.000 -0.156 0.000 1.371 755 I HN 0.898 nan 8.210 nan 0.000 0.468 756 D N 4.473 124.809 120.400 -0.108 0.000 2.686 756 D HA -0.004 4.633 4.640 -0.006 0.000 0.235 756 D C 0.910 177.168 176.300 -0.070 0.000 1.160 756 D CA 2.649 56.597 54.000 -0.086 0.000 0.645 756 D CB -1.342 39.406 40.800 -0.087 0.000 1.039 756 D HN 2.010 nan 8.370 nan 0.000 0.423 757 E N -2.263 117.897 120.200 -0.067 0.000 2.971 757 E HA -0.312 4.034 4.350 -0.006 0.000 0.278 757 E C 0.140 176.716 176.600 -0.040 0.000 1.009 757 E CA 1.867 58.238 56.400 -0.049 0.000 0.862 757 E CB -1.794 27.882 29.700 -0.039 0.000 1.436 757 E HN 0.603 nan 8.360 nan 0.000 0.434 758 E N -0.873 119.297 120.200 -0.049 0.000 2.212 758 E HA 0.706 5.053 4.350 -0.006 0.000 0.270 758 E C 0.462 177.042 176.600 -0.033 0.000 0.956 758 E CA -0.932 55.446 56.400 -0.037 0.000 0.825 758 E CB 1.525 31.200 29.700 -0.043 0.000 1.167 758 E HN 0.494 nan 8.360 nan 0.000 0.400 759 M N 2.431 122.024 119.600 -0.013 0.000 2.066 759 M HA 0.363 4.839 4.480 -0.006 0.000 0.340 759 M C -1.301 175.002 176.300 0.006 0.000 1.053 759 M CA -0.427 54.874 55.300 0.001 0.000 0.983 759 M CB 0.616 33.228 32.600 0.020 0.000 1.520 759 M HN 0.535 nan 8.290 nan 0.000 0.428 760 L N 4.189 125.410 121.223 -0.002 0.000 2.295 760 L HA 0.734 5.071 4.340 -0.006 0.000 0.285 760 L C -0.667 176.236 176.870 0.056 0.000 1.035 760 L CA -0.529 54.314 54.840 0.005 0.000 0.806 760 L CB 1.324 43.351 42.059 -0.054 0.000 1.214 760 L HN 0.874 nan 8.230 nan 0.000 0.426 761 E N 2.066 122.313 120.200 0.077 0.000 2.248 761 E HA 0.621 4.967 4.350 -0.006 0.000 0.267 761 E C -0.930 175.751 176.600 0.136 0.000 0.877 761 E CA -0.778 55.693 56.400 0.117 0.000 0.759 761 E CB 2.289 32.053 29.700 0.106 0.000 1.182 761 E HN 0.650 nan 8.360 nan 0.000 0.418 762 V N 3.896 123.915 119.914 0.175 0.000 2.742 762 V HA 0.008 4.124 4.120 -0.006 0.000 0.302 762 V C 1.439 177.633 176.094 0.167 0.000 1.133 762 V CA 2.224 64.641 62.300 0.195 0.000 1.284 762 V CB 0.103 32.055 31.823 0.215 0.000 0.850 762 V HN 1.098 nan 8.190 nan 0.000 0.494 763 G N 3.650 112.555 108.800 0.175 0.000 2.254 763 G HA2 -0.187 3.770 3.960 -0.006 0.000 0.225 763 G HA3 -0.187 3.770 3.960 -0.006 0.000 0.225 763 G C -0.019 174.978 174.900 0.163 0.000 1.003 763 G CA 0.081 45.284 45.100 0.171 0.000 0.622 763 G HN 0.689 nan 8.290 nan 0.000 0.507 764 D N 0.036 120.517 120.400 0.136 0.000 2.384 764 D HA 0.567 5.204 4.640 -0.006 0.000 0.244 764 D C 0.414 176.784 176.300 0.116 0.000 1.251 764 D CA 0.289 54.358 54.000 0.115 0.000 0.961 764 D CB 0.861 41.709 40.800 0.080 0.000 1.116 764 D HN 0.321 nan 8.370 nan 0.000 0.484 765 C N 0.408 119.768 119.300 0.099 0.000 2.441 765 C HA 0.833 5.290 4.460 -0.006 0.000 0.318 765 C C 0.481 175.503 174.990 0.052 0.000 1.222 765 C CA -0.631 58.445 59.018 0.097 0.000 1.474 765 C CB 0.428 28.230 27.740 0.103 0.000 2.125 765 C HN 0.527 nan 8.230 nan 0.000 0.479 766 V N 2.623 122.557 119.914 0.033 0.000 3.046 766 V HA 0.946 5.062 4.120 -0.006 0.000 0.316 766 V C 0.135 176.274 176.094 0.075 0.000 1.104 766 V CA -0.537 61.775 62.300 0.020 0.000 1.006 766 V CB 2.016 33.787 31.823 -0.086 0.000 1.058 766 V HN 0.906 nan 8.190 nan 0.000 0.440 767 S N 0.595 116.362 115.700 0.113 0.000 2.767 767 S HA 0.948 5.415 4.470 -0.006 0.000 0.300 767 S C -0.833 173.884 174.600 0.195 0.000 1.123 767 S CA -0.638 57.651 58.200 0.149 0.000 0.992 767 S CB 1.816 65.075 63.200 0.098 0.000 1.138 767 S HN 1.718 nan 8.310 nan 0.000 0.550 768 V N 1.401 121.435 119.914 0.201 0.000 2.789 768 V HA 0.333 4.450 4.120 -0.006 0.000 0.300 768 V C -1.118 174.989 176.094 0.021 0.000 1.184 768 V CA -0.764 61.665 62.300 0.215 0.000 0.930 768 V CB 1.864 33.935 31.823 0.414 0.000 1.041 768 V HN 0.861 nan 8.190 nan 0.000 0.430 769 I N 6.537 127.105 120.570 -0.005 0.000 2.529 769 I HA 0.379 4.546 4.170 -0.006 0.000 0.284 769 I C -2.066 173.924 176.117 -0.211 0.000 1.082 769 I CA -2.015 59.212 61.300 -0.121 0.000 1.406 769 I CB 1.206 39.194 38.000 -0.019 0.000 1.405 769 I HN 0.409 nan 8.210 nan 0.000 0.548 770 P HA 0.355 nan 4.420 nan 0.000 0.284 770 P C 0.407 177.601 177.300 -0.176 0.000 1.287 770 P CA -0.223 62.627 63.100 -0.416 0.000 0.824 770 P CB 0.632 31.971 31.700 -0.602 0.000 1.180 771 D N -0.824 119.503 120.400 -0.121 0.000 2.091 771 D HA -0.111 4.525 4.640 -0.006 0.000 0.199 771 D C 0.610 176.881 176.300 -0.048 0.000 0.980 771 D CA 0.981 54.949 54.000 -0.053 0.000 0.831 771 D CB -0.920 39.864 40.800 -0.027 0.000 0.987 771 D HN 0.439 nan 8.370 nan 0.000 0.460 772 D N -0.044 120.327 120.400 -0.049 0.000 2.412 772 D HA 0.319 4.956 4.640 -0.006 0.000 0.257 772 D C 1.336 177.612 176.300 -0.041 0.000 1.217 772 D CA 0.634 54.615 54.000 -0.032 0.000 0.897 772 D CB 0.882 41.671 40.800 -0.018 0.000 1.132 772 D HN 0.301 nan 8.370 nan 0.000 0.493 773 S N 2.283 117.967 115.700 -0.027 0.000 2.660 773 S HA -0.075 4.392 4.470 -0.006 0.000 0.228 773 S C 1.615 176.204 174.600 -0.019 0.000 0.966 773 S CA 1.062 59.247 58.200 -0.025 0.000 0.940 773 S CB -0.139 63.053 63.200 -0.015 0.000 0.773 773 S HN 0.477 nan 8.310 nan 0.000 0.535 774 S N -0.153 115.538 115.700 -0.015 0.000 2.566 774 S HA 0.205 4.671 4.470 -0.006 0.000 0.234 774 S C 0.586 175.187 174.600 0.003 0.000 1.075 774 S CA -0.224 57.974 58.200 -0.004 0.000 0.926 774 S CB -0.193 63.008 63.200 0.001 0.000 0.811 774 S HN 0.365 nan 8.310 nan 0.000 0.518 775 K N 3.387 123.788 120.400 0.002 0.000 2.466 775 K HA 0.164 4.481 4.320 -0.006 0.000 0.278 775 K C -2.583 174.029 176.600 0.020 0.000 1.048 775 K CA -0.954 55.351 56.287 0.029 0.000 1.088 775 K CB -0.073 32.457 32.500 0.051 0.000 0.884 775 K HN 0.297 nan 8.250 nan 0.000 0.478 776 P HA -0.098 nan 4.420 nan 0.000 0.266 776 P C -0.279 177.062 177.300 0.069 0.000 1.193 776 P CA -0.316 62.816 63.100 0.055 0.000 0.770 776 P CB 0.307 32.053 31.700 0.077 0.000 0.836 777 L N 1.608 122.844 121.223 0.022 0.000 2.525 777 L HA 0.148 4.485 4.340 -0.006 0.000 0.278 777 L C -0.125 176.847 176.870 0.169 0.000 1.218 777 L CA 0.063 54.895 54.840 -0.014 0.000 0.878 777 L CB -1.482 40.533 42.059 -0.074 0.000 1.127 777 L HN 0.261 nan 8.230 nan 0.000 0.492 778 Y N 3.556 123.866 120.300 0.018 0.000 2.357 778 Y HA 0.602 5.149 4.550 -0.006 0.000 0.340 778 Y C 0.501 176.523 175.900 0.202 0.000 1.260 778 Y CA -1.227 56.923 58.100 0.083 0.000 1.425 778 Y CB 0.587 39.070 38.460 0.039 0.000 1.326 778 Y HN 0.529 nan 8.280 nan 0.000 0.580 779 L N 0.934 122.425 121.223 0.446 0.000 2.445 779 L HA 0.835 5.172 4.340 -0.006 0.000 0.262 779 L C -0.459 176.657 176.870 0.411 0.000 0.974 779 L CA -0.628 54.373 54.840 0.268 0.000 0.822 779 L CB 2.185 44.190 42.059 -0.089 0.000 1.339 779 L HN 0.734 nan 8.230 nan 0.000 0.409 780 A N 2.145 125.119 122.820 0.257 0.000 2.567 780 A HA 0.912 5.228 4.320 -0.006 0.000 0.289 780 A C -1.481 176.234 177.584 0.219 0.000 1.177 780 A CA -0.701 51.419 52.037 0.139 0.000 0.694 780 A CB 2.015 20.736 19.000 -0.465 0.000 1.292 780 A HN 0.673 nan 8.150 nan 0.000 0.425 781 R N -0.227 120.328 120.500 0.091 0.000 2.732 781 R HA 0.669 5.005 4.340 -0.006 0.000 0.278 781 R C -1.665 174.712 176.300 0.128 0.000 0.976 781 R CA -0.432 55.764 56.100 0.161 0.000 0.963 781 R CB 1.696 32.099 30.300 0.172 0.000 1.150 781 R HN 0.480 nan 8.270 nan 0.000 0.478 782 V N 3.520 123.537 119.914 0.171 0.000 2.385 782 V HA 0.134 4.251 4.120 -0.006 0.000 0.269 782 V C 1.169 177.418 176.094 0.258 0.000 1.043 782 V CA -0.072 62.379 62.300 0.250 0.000 0.906 782 V CB 1.040 32.969 31.823 0.177 0.000 0.995 782 V HN 1.070 nan 8.190 nan 0.000 0.467 783 T N 1.159 115.893 114.554 0.299 0.000 3.040 783 T HA 0.578 4.925 4.350 -0.006 0.000 0.250 783 T C 0.374 175.270 174.700 0.328 0.000 1.058 783 T CA 0.492 62.762 62.100 0.283 0.000 0.988 783 T CB 0.386 69.416 68.868 0.270 0.000 0.993 783 T HN 1.080 nan 8.240 nan 0.000 0.519 784 A N 0.645 123.731 122.820 0.445 0.000 2.583 784 A HA 0.634 4.950 4.320 -0.006 0.000 0.298 784 A C -1.729 176.255 177.584 0.666 0.000 1.055 784 A CA -0.930 51.449 52.037 0.570 0.000 0.714 784 A CB 0.743 20.145 19.000 0.669 0.000 1.277 784 A HN 0.352 nan 8.150 nan 0.000 0.406 785 L N 1.565 123.188 121.223 0.666 0.000 2.341 785 L HA 0.897 5.234 4.340 -0.006 0.000 0.278 785 L C -0.601 176.646 176.870 0.629 0.000 1.005 785 L CA -0.425 54.782 54.840 0.611 0.000 0.818 785 L CB 1.706 44.129 42.059 0.606 0.000 1.259 785 L HN 0.988 nan 8.230 nan 0.000 0.418 786 W N 2.130 123.630 121.300 0.334 0.000 3.146 786 W HA 0.614 5.270 4.660 -0.006 0.000 0.319 786 W C -1.503 175.131 176.519 0.192 0.000 1.258 786 W CA -0.922 56.381 57.345 -0.068 0.000 1.189 786 W CB 1.038 30.178 29.460 -0.534 0.000 1.412 786 W HN 0.428 nan 8.180 nan 0.000 0.567 787 E N 2.094 122.464 120.200 0.283 0.000 2.175 787 E HA 0.244 4.590 4.350 -0.006 0.000 0.278 787 E C -0.978 175.865 176.600 0.405 0.000 0.969 787 E CA -0.397 56.256 56.400 0.421 0.000 0.796 787 E CB 1.118 31.083 29.700 0.442 0.000 1.104 787 E HN 0.374 nan 8.360 nan 0.000 0.395 788 D N 2.998 123.624 120.400 0.376 0.000 2.229 788 D HA 0.175 4.812 4.640 -0.006 0.000 0.249 788 D C 0.679 177.090 176.300 0.186 0.000 1.027 788 D CA 0.079 54.281 54.000 0.337 0.000 0.923 788 D CB 1.544 42.587 40.800 0.405 0.000 1.174 788 D HN 0.547 nan 8.370 nan 0.000 0.443 789 K N 1.727 122.203 120.400 0.127 0.000 2.442 789 K HA -0.193 4.123 4.320 -0.006 0.000 0.199 789 K C 1.028 177.680 176.600 0.086 0.000 1.044 789 K CA 1.725 58.063 56.287 0.085 0.000 0.941 789 K CB -1.060 31.473 32.500 0.054 0.000 0.759 789 K HN 0.622 nan 8.250 nan 0.000 0.472 790 N N -1.227 117.536 118.700 0.105 0.000 2.383 790 N HA 0.179 4.916 4.740 -0.006 0.000 0.192 790 N C 1.204 176.764 175.510 0.083 0.000 1.141 790 N CA 0.607 53.710 53.050 0.088 0.000 0.851 790 N CB 0.117 38.660 38.487 0.094 0.000 0.976 790 N HN 0.564 nan 8.380 nan 0.000 0.465 791 G N -0.853 108.005 108.800 0.096 0.000 2.162 791 G HA2 -0.349 3.608 3.960 -0.006 0.000 0.260 791 G HA3 -0.349 3.608 3.960 -0.006 0.000 0.260 791 G C -0.293 174.659 174.900 0.085 0.000 0.976 791 G CA 0.434 45.587 45.100 0.088 0.000 0.655 791 G HN 0.639 nan 8.290 nan 0.000 0.533 792 Q N -0.392 119.467 119.800 0.098 0.000 2.274 792 Q HA 0.721 5.058 4.340 -0.006 0.000 0.260 792 Q C 0.201 176.252 176.000 0.085 0.000 0.974 792 Q CA -0.881 54.964 55.803 0.069 0.000 0.876 792 Q CB 0.674 29.450 28.738 0.064 0.000 1.297 792 Q HN 0.372 nan 8.270 nan 0.000 0.446 793 M N 3.760 123.374 119.600 0.024 0.000 2.108 793 M HA 0.329 4.806 4.480 -0.006 0.000 0.354 793 M C -0.740 175.511 176.300 -0.082 0.000 1.229 793 M CA -0.060 55.253 55.300 0.023 0.000 1.081 793 M CB 0.895 33.365 32.600 -0.217 0.000 1.606 793 M HN 0.426 nan 8.290 nan 0.000 0.467 794 M N 4.008 123.450 119.600 -0.263 0.000 2.598 794 M HA 0.632 5.109 4.480 -0.006 0.000 0.317 794 M C -0.710 175.206 176.300 -0.640 0.000 1.179 794 M CA -0.599 54.324 55.300 -0.628 0.000 0.936 794 M CB 1.865 33.722 32.600 -1.238 0.000 1.713 794 M HN 0.656 nan 8.290 nan 0.000 0.460 795 F N -0.576 119.006 119.950 -0.613 0.000 2.613 795 F HA 0.667 5.191 4.527 -0.006 0.000 0.314 795 F C -1.011 174.723 175.800 -0.110 0.000 1.075 795 F CA -1.044 56.760 58.000 -0.327 0.000 0.945 795 F CB 1.274 40.234 39.000 -0.068 0.000 1.310 795 F HN 0.633 nan 8.300 nan 0.000 0.467 796 H N 1.891 120.981 119.070 0.033 0.000 2.519 796 H HA 0.736 5.289 4.556 -0.006 0.000 0.316 796 H C -1.143 174.111 175.328 -0.123 0.000 1.065 796 H CA -0.412 55.633 56.048 -0.005 0.000 1.264 796 H CB 1.384 31.346 29.762 0.333 0.000 1.413 796 H HN 1.002 nan 8.280 nan 0.000 0.465 797 A N 4.622 126.906 122.820 -0.893 0.000 2.271 797 A HA 0.284 4.601 4.320 -0.006 0.000 0.317 797 A C -1.084 176.003 177.584 -0.829 0.000 1.245 797 A CA -0.658 50.928 52.037 -0.752 0.000 0.857 797 A CB -0.090 18.301 19.000 -1.014 0.000 1.175 797 A HN 0.909 nan 8.150 nan 0.000 0.512 798 H N 2.239 120.962 119.070 -0.578 0.000 2.690 798 H HA 0.429 4.982 4.556 -0.006 0.000 0.289 798 H C -0.958 174.099 175.328 -0.452 0.000 1.089 798 H CA -0.922 54.860 56.048 -0.442 0.000 1.299 798 H CB 0.037 29.637 29.762 -0.271 0.000 1.405 798 H HN 0.662 nan 8.280 nan 0.000 0.463 799 W N 4.943 125.921 121.300 -0.537 0.000 2.158 799 W HA 0.205 4.862 4.660 -0.006 0.000 0.339 799 W C -0.206 175.890 176.519 -0.704 0.000 1.294 799 W CA -0.339 56.729 57.345 -0.461 0.000 1.231 799 W CB 0.442 29.712 29.460 -0.318 0.000 1.143 799 W HN 0.453 nan 8.180 nan 0.000 0.571 800 F N 1.675 121.573 119.950 -0.087 0.000 2.408 800 F HA 0.451 4.974 4.527 -0.006 0.000 0.325 800 F C 0.369 176.099 175.800 -0.117 0.000 1.082 800 F CA -0.729 57.154 58.000 -0.194 0.000 1.032 800 F CB 0.892 39.776 39.000 -0.193 0.000 1.259 800 F HN 0.167 nan 8.300 nan 0.000 0.503 801 C N 2.297 121.676 119.300 0.131 0.000 2.455 801 C HA 0.885 5.342 4.460 -0.006 0.000 0.320 801 C C -0.133 174.969 174.990 0.187 0.000 1.226 801 C CA -0.536 58.544 59.018 0.103 0.000 1.569 801 C CB -0.292 27.514 27.740 0.110 0.000 2.200 801 C HN 0.936 nan 8.230 nan 0.000 0.491 802 A N 3.913 126.799 122.820 0.110 0.000 2.302 802 A HA 0.585 4.902 4.320 -0.006 0.000 0.285 802 A C 1.277 178.977 177.584 0.193 0.000 1.105 802 A CA 0.373 52.484 52.037 0.123 0.000 0.816 802 A CB 0.465 19.501 19.000 0.060 0.000 1.067 802 A HN 1.621 nan 8.150 nan 0.000 0.489 803 G N 0.184 109.135 108.800 0.251 0.000 2.446 803 G HA2 -0.079 3.877 3.960 -0.006 0.000 0.217 803 G HA3 -0.079 3.877 3.960 -0.006 0.000 0.217 803 G C 1.325 176.280 174.900 0.091 0.000 1.168 803 G CA 2.080 47.330 45.100 0.250 0.000 0.771 803 G HN 1.243 nan 8.290 nan 0.000 0.551 804 T N 0.123 114.728 114.554 0.085 0.000 2.897 804 T HA -0.021 4.325 4.350 -0.006 0.000 0.271 804 T C 1.779 176.506 174.700 0.045 0.000 1.084 804 T CA 1.826 63.962 62.100 0.059 0.000 1.123 804 T CB -0.238 68.667 68.868 0.060 0.000 0.865 804 T HN 0.208 nan 8.240 nan 0.000 0.496 805 D N 0.970 121.391 120.400 0.035 0.000 2.339 805 D HA 0.105 4.741 4.640 -0.006 0.000 0.217 805 D C 1.320 177.640 176.300 0.033 0.000 1.050 805 D CA 0.651 54.669 54.000 0.031 0.000 0.856 805 D CB 0.231 41.040 40.800 0.016 0.000 0.922 805 D HN 0.648 nan 8.370 nan 0.000 0.518 806 T N -3.001 111.513 114.554 -0.066 0.000 2.922 806 T HA 0.300 4.646 4.350 -0.006 0.000 0.281 806 T C 1.742 176.437 174.700 -0.008 0.000 1.005 806 T CA -0.679 61.286 62.100 -0.225 0.000 0.982 806 T CB 1.352 69.736 68.868 -0.807 0.000 1.158 806 T HN -0.223 nan 8.240 nan 0.000 0.566 807 V N 0.736 120.651 119.914 0.002 0.000 2.453 807 V HA -0.140 3.977 4.120 -0.006 0.000 0.252 807 V C 2.596 178.693 176.094 0.005 0.000 1.068 807 V CA 1.172 63.485 62.300 0.022 0.000 1.070 807 V CB -1.381 30.318 31.823 -0.207 0.000 0.664 807 V HN 0.647 nan 8.190 nan 0.000 0.461 808 L N 0.381 121.593 121.223 -0.018 0.000 2.081 808 L HA -0.017 4.320 4.340 -0.006 0.000 0.212 808 L C 1.968 178.849 176.870 0.019 0.000 1.080 808 L CA 2.068 56.900 54.840 -0.013 0.000 0.754 808 L CB -2.083 39.961 42.059 -0.025 0.000 0.893 808 L HN 0.597 nan 8.230 nan 0.000 0.433 809 G N -0.807 108.011 108.800 0.031 0.000 2.591 809 G HA2 -0.379 3.577 3.960 -0.006 0.000 0.298 809 G HA3 -0.379 3.577 3.960 -0.006 0.000 0.298 809 G C 1.026 175.954 174.900 0.045 0.000 1.195 809 G CA 1.122 46.250 45.100 0.046 0.000 0.989 809 G HN 0.640 nan 8.290 nan 0.000 0.551 810 A N -0.755 122.090 122.820 0.042 0.000 2.123 810 A HA 0.341 4.658 4.320 -0.006 0.000 0.214 810 A C 2.506 180.115 177.584 0.042 0.000 1.152 810 A CA 2.706 54.767 52.037 0.040 0.000 0.728 810 A CB -0.768 18.250 19.000 0.030 0.000 0.814 810 A HN 2.129 nan 8.150 nan 0.000 0.464 811 T N -2.269 112.312 114.554 0.044 0.000 3.098 811 T HA 0.031 4.378 4.350 -0.006 0.000 0.266 811 T C 1.039 175.776 174.700 0.061 0.000 1.145 811 T CA 0.872 63.002 62.100 0.050 0.000 1.092 811 T CB -0.555 68.346 68.868 0.056 0.000 0.908 811 T HN 0.259 nan 8.240 nan 0.000 0.526 812 S N 1.514 117.254 115.700 0.067 0.000 2.585 812 S HA 0.158 4.625 4.470 -0.006 0.000 0.273 812 S C -0.091 174.570 174.600 0.101 0.000 1.339 812 S CA -0.675 57.582 58.200 0.095 0.000 1.028 812 S CB 0.247 63.515 63.200 0.114 0.000 0.906 812 S HN 0.509 nan 8.310 nan 0.000 0.528 813 D N 3.657 124.131 120.400 0.122 0.000 2.382 813 D HA 0.207 4.844 4.640 -0.006 0.000 0.259 813 D C -1.612 174.756 176.300 0.113 0.000 1.224 813 D CA -1.822 52.254 54.000 0.126 0.000 0.894 813 D CB 1.224 42.131 40.800 0.178 0.000 1.127 813 D HN 0.249 nan 8.370 nan 0.000 0.487 814 P HA -0.078 nan 4.420 nan 0.000 0.222 814 P C 0.894 178.279 177.300 0.141 0.000 1.142 814 P CA 0.923 64.087 63.100 0.106 0.000 0.788 814 P CB 0.203 31.949 31.700 0.078 0.000 0.767 815 L N -1.695 119.614 121.223 0.142 0.000 2.728 815 L HA 0.208 4.544 4.340 -0.006 0.000 0.238 815 L C 0.927 177.803 176.870 0.010 0.000 1.143 815 L CA -0.144 54.808 54.840 0.187 0.000 0.937 815 L CB 0.042 42.225 42.059 0.206 0.000 1.225 815 L HN -0.043 nan 8.230 nan 0.000 0.507 816 E N 1.561 121.633 120.200 -0.212 0.000 2.134 816 E HA 0.466 4.813 4.350 -0.006 0.000 0.278 816 E C -0.799 175.499 176.600 -0.504 0.000 0.959 816 E CA -0.368 55.576 56.400 -0.760 0.000 0.783 816 E CB 1.007 30.319 29.700 -0.648 0.000 1.095 816 E HN 0.162 nan 8.360 nan 0.000 0.399 817 L N 3.654 124.525 121.223 -0.586 0.000 2.335 817 L HA 0.598 4.934 4.340 -0.006 0.000 0.268 817 L C -0.713 175.898 176.870 -0.431 0.000 1.016 817 L CA -1.046 53.619 54.840 -0.293 0.000 0.805 817 L CB 0.934 42.851 42.059 -0.237 0.000 1.311 817 L HN 0.568 nan 8.230 nan 0.000 0.456 818 F N 0.213 120.271 119.950 0.180 0.000 2.557 818 F HA 0.417 4.941 4.527 -0.006 0.000 0.316 818 F C -0.160 175.608 175.800 -0.053 0.000 1.141 818 F CA -0.607 57.500 58.000 0.177 0.000 0.922 818 F CB 1.428 40.538 39.000 0.184 0.000 1.194 818 F HN 0.128 nan 8.300 nan 0.000 0.443 819 L N 3.433 124.627 121.223 -0.048 0.000 2.514 819 L HA 0.342 4.679 4.340 -0.006 0.000 0.280 819 L C -0.076 176.164 176.870 -1.050 0.000 1.223 819 L CA 0.003 54.467 54.840 -0.627 0.000 0.864 819 L CB 0.522 42.370 42.059 -0.352 0.000 1.118 819 L HN 0.498 nan 8.230 nan 0.000 0.494 820 V N 1.298 120.478 119.914 -1.223 0.000 3.120 820 V HA 0.479 4.595 4.120 -0.006 0.000 0.303 820 V C 0.565 176.298 176.094 -0.602 0.000 1.238 820 V CA -0.290 61.426 62.300 -0.972 0.000 1.008 820 V CB 2.206 33.772 31.823 -0.429 0.000 1.064 820 V HN 0.785 nan 8.190 nan 0.000 0.434 821 G N 2.906 111.595 108.800 -0.184 0.000 3.375 821 G HA2 0.230 4.187 3.960 -0.006 0.000 0.247 821 G HA3 0.230 4.187 3.960 -0.006 0.000 0.247 821 G C 0.048 175.001 174.900 0.088 0.000 1.343 821 G CA -0.023 45.171 45.100 0.157 0.000 1.368 821 G HN 0.703 nan 8.290 nan 0.000 0.549 822 E N -0.142 120.080 120.200 0.036 0.000 2.171 822 E HA 0.528 4.875 4.350 -0.006 0.000 0.271 822 E C -0.581 176.165 176.600 0.244 0.000 0.916 822 E CA -0.768 55.699 56.400 0.113 0.000 0.774 822 E CB 1.907 31.625 29.700 0.030 0.000 1.128 822 E HN 0.347 nan 8.360 nan 0.000 0.403 823 C N 1.516 120.965 119.300 0.248 0.000 3.046 823 C HA 0.624 5.080 4.460 -0.006 0.000 0.388 823 C C -0.747 174.280 174.990 0.062 0.000 1.041 823 C CA -0.806 58.257 59.018 0.075 0.000 1.241 823 C CB 0.410 28.190 27.740 0.067 0.000 1.638 823 C HN 1.021 nan 8.230 nan 0.000 0.539 824 E N 2.658 122.794 120.200 -0.105 0.000 2.450 824 E HA 0.601 4.948 4.350 -0.006 0.000 0.272 824 E C -1.281 175.234 176.600 -0.143 0.000 0.967 824 E CA -0.810 55.599 56.400 0.014 0.000 0.818 824 E CB 1.339 31.110 29.700 0.118 0.000 1.401 824 E HN 0.738 nan 8.360 nan 0.000 0.450 825 N N 0.540 119.256 118.700 0.026 0.000 2.456 825 N HA 0.444 5.181 4.740 -0.006 0.000 0.296 825 N C -0.577 174.822 175.510 -0.185 0.000 1.102 825 N CA -0.374 52.665 53.050 -0.019 0.000 0.924 825 N CB 1.601 40.258 38.487 0.282 0.000 1.186 825 N HN 0.430 nan 8.380 nan 0.000 0.492 826 M N 0.307 119.669 119.600 -0.397 0.000 2.618 826 M HA 0.240 4.717 4.480 -0.006 0.000 0.281 826 M C -0.543 175.778 176.300 0.036 0.000 1.267 826 M CA -0.768 54.424 55.300 -0.180 0.000 0.845 826 M CB 2.647 35.128 32.600 -0.199 0.000 1.732 826 M HN 0.375 nan 8.290 nan 0.000 0.461 827 Q N 1.341 121.345 119.800 0.340 0.000 2.304 827 Q HA 0.268 4.604 4.340 -0.006 0.000 0.260 827 Q C 0.389 176.571 176.000 0.303 0.000 0.965 827 Q CA -0.154 55.787 55.803 0.230 0.000 0.898 827 Q CB 0.949 29.761 28.738 0.123 0.000 1.196 827 Q HN 0.798 nan 8.270 nan 0.000 0.402 828 L N 2.483 123.807 121.223 0.167 0.000 2.089 828 L HA -0.310 4.027 4.340 -0.006 0.000 0.213 828 L C 2.405 179.279 176.870 0.007 0.000 1.079 828 L CA 1.657 56.538 54.840 0.068 0.000 0.758 828 L CB -0.809 41.161 42.059 -0.148 0.000 0.891 828 L HN 0.801 nan 8.230 nan 0.000 0.433 829 S N -1.123 114.546 115.700 -0.053 0.000 2.420 829 S HA -0.254 4.212 4.470 -0.006 0.000 0.237 829 S C 1.808 176.356 174.600 -0.086 0.000 1.023 829 S CA 1.178 59.300 58.200 -0.130 0.000 0.991 829 S CB -0.848 62.218 63.200 -0.223 0.000 0.792 829 S HN 0.469 nan 8.310 nan 0.000 0.488 830 Y N 1.719 122.064 120.300 0.075 0.000 2.352 830 Y HA 0.205 4.751 4.550 -0.006 0.000 0.292 830 Y C 1.232 177.203 175.900 0.117 0.000 1.136 830 Y CA -0.091 58.079 58.100 0.116 0.000 1.227 830 Y CB -0.478 38.091 38.460 0.183 0.000 0.991 830 Y HN 0.239 nan 8.280 nan 0.000 0.545 831 I N 0.195 120.886 120.570 0.202 0.000 2.815 831 I HA -0.221 3.946 4.170 -0.006 0.000 0.291 831 I C 1.448 177.627 176.117 0.102 0.000 1.209 831 I CA 0.869 62.219 61.300 0.084 0.000 1.431 831 I CB 0.626 38.549 38.000 -0.129 0.000 1.351 831 I HN 0.281 nan 8.210 nan 0.000 0.585 832 H N 4.010 123.095 119.070 0.026 0.000 2.426 832 H HA 0.427 4.980 4.556 -0.006 0.000 0.286 832 H C 0.565 175.895 175.328 0.002 0.000 0.990 832 H CA 0.769 56.829 56.048 0.020 0.000 1.237 832 H CB 0.624 30.411 29.762 0.042 0.000 1.466 832 H HN 0.747 nan 8.280 nan 0.000 0.525 833 S N 0.004 115.858 115.700 0.256 0.000 2.596 833 S HA 0.446 4.913 4.470 -0.006 0.000 0.270 833 S C -1.174 173.490 174.600 0.105 0.000 1.155 833 S CA -0.972 57.326 58.200 0.164 0.000 0.827 833 S CB 1.551 64.951 63.200 0.333 0.000 1.130 833 S HN 0.288 nan 8.310 nan 0.000 0.467 834 K N 1.020 121.455 120.400 0.060 0.000 2.143 834 K HA 0.735 5.052 4.320 -0.006 0.000 0.272 834 K C -0.534 176.112 176.600 0.077 0.000 1.001 834 K CA -0.519 55.797 56.287 0.047 0.000 0.915 834 K CB 1.059 33.572 32.500 0.023 0.000 1.047 834 K HN 0.847 nan 8.250 nan 0.000 0.458 835 V N -1.301 118.664 119.914 0.084 0.000 2.962 835 V HA 0.784 4.900 4.120 -0.006 0.000 0.313 835 V C -0.909 175.248 176.094 0.105 0.000 1.099 835 V CA -1.102 61.266 62.300 0.114 0.000 0.971 835 V CB 1.194 33.115 31.823 0.163 0.000 1.028 835 V HN 0.755 nan 8.190 nan 0.000 0.430 836 K N 1.914 122.384 120.400 0.116 0.000 2.240 836 K HA 0.799 5.115 4.320 -0.006 0.000 0.271 836 K C -0.793 175.896 176.600 0.148 0.000 1.018 836 K CA -0.290 56.065 56.287 0.113 0.000 0.874 836 K CB 1.385 33.936 32.500 0.086 0.000 1.098 836 K HN 1.343 nan 8.250 nan 0.000 0.458 837 V N 4.623 124.624 119.914 0.145 0.000 2.380 837 V HA 0.365 4.482 4.120 -0.006 0.000 0.286 837 V C -0.042 176.222 176.094 0.282 0.000 1.015 837 V CA -0.810 61.589 62.300 0.165 0.000 0.834 837 V CB 0.756 32.546 31.823 -0.054 0.000 1.009 837 V HN 0.826 nan 8.190 nan 0.000 0.428 838 I N 4.091 124.828 120.570 0.279 0.000 2.634 838 I HA 0.206 4.373 4.170 -0.006 0.000 0.284 838 I C -0.215 176.066 176.117 0.273 0.000 1.124 838 I CA -0.223 61.227 61.300 0.251 0.000 1.417 838 I CB 0.589 38.683 38.000 0.156 0.000 1.396 838 I HN 0.659 nan 8.210 nan 0.000 0.571 839 Y N 6.395 126.693 120.300 -0.004 0.000 2.367 839 Y HA 0.226 4.773 4.550 -0.006 0.000 0.342 839 Y C 0.338 176.095 175.900 -0.239 0.000 0.979 839 Y CA -0.676 57.166 58.100 -0.431 0.000 1.161 839 Y CB 0.647 38.889 38.460 -0.365 0.000 1.155 839 Y HN 0.472 nan 8.280 nan 0.000 0.503 840 K N 6.473 126.503 120.400 -0.616 0.000 2.363 840 K HA 0.500 4.817 4.320 -0.006 0.000 0.240 840 K C -0.304 175.824 176.600 -0.786 0.000 1.169 840 K CA -0.347 55.611 56.287 -0.549 0.000 1.131 840 K CB -0.245 32.093 32.500 -0.269 0.000 1.771 840 K HN 0.801 nan 8.250 nan 0.000 0.380 841 A N 3.610 125.687 122.820 -1.239 0.000 2.492 841 A HA 0.201 4.518 4.320 -0.006 0.000 0.236 841 A C -1.928 175.452 177.584 -0.340 0.000 1.078 841 A CA -0.925 50.644 52.037 -0.780 0.000 0.773 841 A CB -0.338 18.360 19.000 -0.504 0.000 1.023 841 A HN 0.611 nan 8.150 nan 0.000 0.504 842 P HA 0.117 nan 4.420 nan 0.000 0.271 842 P C 0.079 177.336 177.300 -0.072 0.000 1.218 842 P CA -0.113 62.889 63.100 -0.164 0.000 0.780 842 P CB 0.700 32.226 31.700 -0.291 0.000 0.901 843 S N 0.871 116.581 115.700 0.017 0.000 2.566 843 S HA 0.161 4.628 4.470 -0.006 0.000 0.280 843 S C 1.890 176.527 174.600 0.063 0.000 1.343 843 S CA 0.542 58.763 58.200 0.034 0.000 1.036 843 S CB 0.035 63.268 63.200 0.054 0.000 0.866 843 S HN 0.550 nan 8.310 nan 0.000 0.526 844 E N 3.031 123.249 120.200 0.031 0.000 2.118 844 E HA -0.163 4.184 4.350 -0.006 0.000 0.195 844 E C 1.301 177.935 176.600 0.057 0.000 0.992 844 E CA 1.754 58.176 56.400 0.037 0.000 0.804 844 E CB -0.769 28.941 29.700 0.016 0.000 0.741 844 E HN 0.750 nan 8.360 nan 0.000 0.458 845 N N -1.089 117.637 118.700 0.043 0.000 2.451 845 N HA 0.161 4.897 4.740 -0.006 0.000 0.264 845 N C 0.426 175.950 175.510 0.022 0.000 1.167 845 N CA -0.237 52.824 53.050 0.019 0.000 0.898 845 N CB -0.574 37.898 38.487 -0.025 0.000 1.176 845 N HN 0.618 nan 8.380 nan 0.000 0.507 846 W N 1.197 122.445 121.300 -0.085 0.000 2.317 846 W HA -0.227 4.430 4.660 -0.006 0.000 0.318 846 W C 1.883 178.332 176.519 -0.116 0.000 1.227 846 W CA 2.250 59.530 57.345 -0.108 0.000 1.269 846 W CB -0.457 28.929 29.460 -0.123 0.000 1.155 846 W HN 0.172 nan 8.180 nan 0.000 0.484 847 A N 0.194 122.879 122.820 -0.225 0.000 1.892 847 A HA -0.253 4.064 4.320 -0.006 0.000 0.218 847 A C 1.954 179.255 177.584 -0.472 0.000 1.188 847 A CA 2.413 54.148 52.037 -0.504 0.000 0.631 847 A CB -0.856 18.081 19.000 -0.104 0.000 0.822 847 A HN 0.349 nan 8.150 nan 0.000 0.447 848 M N 0.230 119.654 119.600 -0.293 0.000 2.595 848 M HA 0.020 4.496 4.480 -0.006 0.000 0.248 848 M C 0.295 176.419 176.300 -0.293 0.000 1.119 848 M CA 0.580 55.717 55.300 -0.271 0.000 1.079 848 M CB -0.881 31.619 32.600 -0.166 0.000 1.472 848 M HN 0.705 nan 8.290 nan 0.000 0.501 849 E N 0.276 120.285 120.200 -0.319 0.000 2.490 849 E HA 0.543 4.890 4.350 -0.006 0.000 0.232 849 E C 0.079 176.495 176.600 -0.307 0.000 1.091 849 E CA -0.470 55.774 56.400 -0.260 0.000 1.050 849 E CB 0.105 29.698 29.700 -0.177 0.000 1.342 849 E HN 0.182 nan 8.360 nan 0.000 0.454 850 G N 0.663 109.270 108.800 -0.323 0.000 2.706 850 G HA2 0.571 4.528 3.960 -0.006 0.000 0.297 850 G HA3 0.571 4.528 3.960 -0.006 0.000 0.297 850 G C 0.282 175.065 174.900 -0.196 0.000 1.403 850 G CA -0.288 44.642 45.100 -0.284 0.000 0.954 850 G HN 0.574 nan 8.290 nan 0.000 0.500 864 G N -1.057 107.681 108.800 -0.103 0.000 2.572 864 G HA2 0.372 4.329 3.960 -0.006 0.000 0.216 864 G HA3 0.372 4.329 3.960 -0.006 0.000 0.216 864 G C 1.627 176.504 174.900 -0.039 0.000 1.133 864 G CA 2.824 47.886 45.100 -0.064 0.000 0.791 864 G HN 1.954 nan 8.290 nan 0.000 0.538 865 K N -1.458 118.924 120.400 -0.030 0.000 3.391 865 K HA -0.189 4.128 4.320 -0.006 0.000 0.307 865 K C 0.492 177.059 176.600 -0.055 0.000 1.304 865 K CA 1.796 58.064 56.287 -0.032 0.000 0.904 865 K CB -2.803 29.675 32.500 -0.038 0.000 1.293 865 K HN 0.995 nan 8.250 nan 0.000 0.470 866 T N -1.542 113.000 114.554 -0.020 0.000 2.901 866 T HA 0.650 4.996 4.350 -0.006 0.000 0.293 866 T C -0.739 174.004 174.700 0.072 0.000 1.084 866 T CA -0.520 61.552 62.100 -0.048 0.000 1.008 866 T CB 0.588 69.456 68.868 -0.000 0.000 1.170 866 T HN 0.456 nan 8.240 nan 0.000 0.509 867 Y N 2.770 123.117 120.300 0.079 0.000 2.712 867 Y HA 0.390 4.937 4.550 -0.006 0.000 0.333 867 Y C 0.228 176.217 175.900 0.148 0.000 1.225 867 Y CA -0.232 57.892 58.100 0.040 0.000 1.499 867 Y CB -0.155 38.254 38.460 -0.085 0.000 1.288 867 Y HN 0.505 nan 8.280 nan 0.000 0.575 868 F N 3.058 123.110 119.950 0.169 0.000 2.654 868 F HA 0.730 5.253 4.527 -0.006 0.000 0.308 868 F C -1.873 174.018 175.800 0.151 0.000 1.108 868 F CA -2.266 55.808 58.000 0.123 0.000 0.957 868 F CB 1.141 40.154 39.000 0.022 0.000 1.309 868 F HN 0.225 nan 8.300 nan 0.000 0.446 869 F N 1.704 121.702 119.950 0.079 0.000 2.588 869 F HA 0.664 5.188 4.527 -0.006 0.000 0.314 869 F C 0.085 176.064 175.800 0.299 0.000 1.069 869 F CA -0.701 57.289 58.000 -0.017 0.000 0.931 869 F CB 2.320 41.424 39.000 0.173 0.000 1.260 869 F HN 0.785 nan 8.300 nan 0.000 0.465 870 Q N 1.940 121.842 119.800 0.170 0.000 2.279 870 Q HA 0.466 4.802 4.340 -0.006 0.000 0.261 870 Q C -0.851 175.406 176.000 0.427 0.000 0.796 870 Q CA -0.104 55.824 55.803 0.209 0.000 0.971 870 Q CB 1.245 30.068 28.738 0.142 0.000 1.179 870 Q HN 0.715 nan 8.270 nan 0.000 0.505 871 L N 0.153 121.687 121.223 0.518 0.000 2.283 871 L HA 0.574 4.911 4.340 -0.006 0.000 0.259 871 L C -1.501 175.856 176.870 0.813 0.000 1.027 871 L CA -1.049 54.194 54.840 0.671 0.000 0.828 871 L CB 2.610 45.113 42.059 0.741 0.000 1.380 871 L HN 0.198 nan 8.230 nan 0.000 0.425 872 W N 1.712 123.321 121.300 0.514 0.000 2.361 872 W HA 0.300 4.957 4.660 -0.006 0.000 0.314 872 W C -1.649 175.064 176.519 0.324 0.000 1.041 872 W CA -0.828 56.749 57.345 0.386 0.000 1.241 872 W CB 1.195 30.802 29.460 0.245 0.000 1.279 872 W HN 0.364 nan 8.180 nan 0.000 0.436 873 Y N 7.590 127.912 120.300 0.037 0.000 2.341 873 Y HA 0.253 4.799 4.550 -0.006 0.000 0.340 873 Y C -0.234 175.585 175.900 -0.135 0.000 0.997 873 Y CA -0.463 57.516 58.100 -0.202 0.000 1.149 873 Y CB 0.507 38.702 38.460 -0.442 0.000 1.171 873 Y HN 0.442 nan 8.280 nan 0.000 0.494 874 N N 5.993 124.415 118.700 -0.464 0.000 2.414 874 N HA 0.057 4.794 4.740 -0.006 0.000 0.256 874 N C 0.528 175.466 175.510 -0.953 0.000 1.029 874 N CA 0.062 52.841 53.050 -0.451 0.000 0.948 874 N CB 1.341 39.791 38.487 -0.062 0.000 1.102 874 N HN 1.021 nan 8.380 nan 0.000 0.496 875 Q N 3.126 122.424 119.800 -0.837 0.000 2.062 875 Q HA -0.153 4.183 4.340 -0.006 0.000 0.196 875 Q C 1.500 177.356 176.000 -0.240 0.000 0.967 875 Q CA 1.851 57.259 55.803 -0.658 0.000 0.832 875 Q CB 0.006 28.544 28.738 -0.334 0.000 0.899 875 Q HN 0.776 nan 8.270 nan 0.000 0.442 876 E N 0.189 120.190 120.200 -0.331 0.000 2.118 876 E HA -0.204 4.142 4.350 -0.006 0.000 0.195 876 E C 1.279 177.801 176.600 -0.131 0.000 0.992 876 E CA 1.756 57.953 56.400 -0.338 0.000 0.804 876 E CB -0.862 28.438 29.700 -0.666 0.000 0.741 876 E HN 0.744 nan 8.360 nan 0.000 0.458 877 Y N -1.719 118.530 120.300 -0.085 0.000 2.467 877 Y HA 0.493 5.040 4.550 -0.005 0.000 0.250 877 Y C 1.554 177.359 175.900 -0.158 0.000 1.155 877 Y CA -0.153 57.872 58.100 -0.125 0.000 1.249 877 Y CB 0.680 39.055 38.460 -0.143 0.000 1.146 877 Y HN 0.365 nan 8.280 nan 0.000 0.524 878 A N 1.735 124.566 122.820 0.017 0.000 2.466 878 A HA -0.265 4.052 4.320 -0.006 0.000 0.295 878 A C -0.134 177.471 177.584 0.036 0.000 1.465 878 A CA 0.747 52.801 52.037 0.029 0.000 0.744 878 A CB -1.841 17.127 19.000 -0.054 0.000 1.098 878 A HN 0.568 nan 8.150 nan 0.000 0.402 879 R N -0.893 119.563 120.500 -0.073 0.000 2.393 879 R HA 0.594 4.931 4.340 -0.006 0.000 0.315 879 R C -1.039 175.263 176.300 0.003 0.000 0.952 879 R CA -0.492 55.643 56.100 0.058 0.000 0.842 879 R CB 0.965 31.332 30.300 0.112 0.000 1.163 879 R HN 0.350 nan 8.270 nan 0.000 0.450 880 F N 2.216 122.365 119.950 0.331 0.000 2.350 880 F HA 0.297 4.821 4.527 -0.006 0.000 0.365 880 F C 0.513 176.510 175.800 0.328 0.000 1.122 880 F CA -0.460 57.756 58.000 0.361 0.000 1.139 880 F CB 0.927 40.111 39.000 0.306 0.000 1.220 880 F HN 0.312 nan 8.300 nan 0.000 0.499 881 E N 0.739 121.221 120.200 0.470 0.000 2.263 881 E HA 0.445 4.792 4.350 -0.006 0.000 0.264 881 E C -0.664 176.143 176.600 0.345 0.000 0.923 881 E CA -1.118 55.483 56.400 0.335 0.000 0.802 881 E CB 1.662 31.487 29.700 0.209 0.000 1.228 881 E HN 0.335 nan 8.360 nan 0.000 0.417 882 S N 2.786 118.625 115.700 0.232 0.000 2.549 882 S HA 0.092 4.558 4.470 -0.006 0.000 0.286 882 S C -2.177 172.553 174.600 0.218 0.000 1.314 882 S CA -0.964 57.367 58.200 0.218 0.000 1.062 882 S CB -0.144 63.126 63.200 0.116 0.000 0.865 882 S HN 0.300 nan 8.310 nan 0.000 0.498 883 P HA 0.075 nan 4.420 nan 0.000 0.266 883 P C -2.221 175.142 177.300 0.105 0.000 1.180 883 P CA -0.699 62.575 63.100 0.289 0.000 0.765 883 P CB -0.476 31.399 31.700 0.291 0.000 0.806 884 P HA 0.104 nan 4.420 nan 0.000 0.271 884 P C 0.697 178.010 177.300 0.021 0.000 1.238 884 P CA 0.220 63.292 63.100 -0.045 0.000 0.794 884 P CB 0.330 31.960 31.700 -0.117 0.000 0.959 885 K N -0.699 119.712 120.400 0.018 0.000 2.360 885 K HA 0.171 4.488 4.320 -0.006 0.000 0.196 885 K C 0.907 177.533 176.600 0.043 0.000 1.049 885 K CA 0.557 56.864 56.287 0.033 0.000 1.049 885 K CB -1.054 31.462 32.500 0.027 0.000 0.881 885 K HN 0.566 nan 8.250 nan 0.000 0.542 886 T N 1.622 116.215 114.554 0.065 0.000 2.724 886 T HA 0.204 4.551 4.350 -0.006 0.000 0.324 886 T C 0.073 174.814 174.700 0.068 0.000 1.071 886 T CA -0.000 62.157 62.100 0.095 0.000 1.061 886 T CB 0.556 69.531 68.868 0.179 0.000 0.990 886 T HN 0.408 nan 8.240 nan 0.000 0.543 887 Q N 0.129 119.897 119.800 -0.055 0.000 2.544 887 Q HA 0.401 4.738 4.340 -0.006 0.000 0.291 887 Q C -2.764 172.817 176.000 -0.698 0.000 1.068 887 Q CA -2.173 53.455 55.803 -0.292 0.000 0.785 887 Q CB 1.515 30.153 28.738 -0.165 0.000 1.481 887 Q HN 0.328 nan 8.270 nan 0.000 0.430 888 P HA 0.188 nan 4.420 nan 0.000 0.281 888 P C -0.734 176.350 177.300 -0.361 0.000 1.286 888 P CA 0.036 62.620 63.100 -0.859 0.000 0.772 888 P CB 0.417 31.754 31.700 -0.605 0.000 0.862 889 T N 2.074 116.486 114.554 -0.237 0.000 2.919 889 T HA 0.175 4.522 4.350 -0.006 0.000 0.302 889 T C 1.892 176.541 174.700 -0.085 0.000 1.031 889 T CA 0.296 62.329 62.100 -0.112 0.000 1.127 889 T CB 0.529 69.364 68.868 -0.055 0.000 0.952 889 T HN 0.500 nan 8.240 nan 0.000 0.540 890 E N 1.768 121.936 120.200 -0.053 0.000 2.393 890 E HA -0.191 4.156 4.350 -0.006 0.000 0.201 890 E C 1.533 178.136 176.600 0.006 0.000 1.025 890 E CA 1.640 58.026 56.400 -0.023 0.000 0.856 890 E CB -0.721 28.969 29.700 -0.016 0.000 0.771 890 E HN 0.867 nan 8.360 nan 0.000 0.526 891 D N -0.428 119.971 120.400 -0.002 0.000 2.333 891 D HA -0.032 4.605 4.640 -0.006 0.000 0.208 891 D C 1.245 177.568 176.300 0.038 0.000 0.984 891 D CA 1.189 55.204 54.000 0.025 0.000 0.873 891 D CB 0.003 40.807 40.800 0.007 0.000 0.935 891 D HN 0.583 nan 8.370 nan 0.000 0.521 892 N N -2.787 115.881 118.700 -0.053 0.000 2.217 892 N HA 0.103 4.840 4.740 -0.006 0.000 0.239 892 N C 0.984 176.339 175.510 -0.259 0.000 1.330 892 N CA 0.045 52.934 53.050 -0.269 0.000 0.838 892 N CB -0.062 38.332 38.487 -0.155 0.000 1.287 892 N HN -0.010 nan 8.380 nan 0.000 0.498 893 K N 0.867 121.209 120.400 -0.097 0.000 2.585 893 K HA -0.136 4.181 4.320 -0.006 0.000 0.194 893 K C 1.409 178.017 176.600 0.012 0.000 1.037 893 K CA 1.574 57.829 56.287 -0.053 0.000 0.964 893 K CB -1.470 31.014 32.500 -0.026 0.000 0.787 893 K HN 0.813 nan 8.250 nan 0.000 0.488 894 H N -0.696 118.352 119.070 -0.036 0.000 2.553 894 H HA 0.120 4.672 4.556 -0.006 0.000 0.276 894 H C 1.370 176.658 175.328 -0.066 0.000 0.979 894 H CA 1.122 57.134 56.048 -0.060 0.000 1.268 894 H CB 0.356 30.012 29.762 -0.176 0.000 1.450 894 H HN 0.578 nan 8.280 nan 0.000 0.527 895 K N -0.260 119.829 120.400 -0.519 0.000 2.501 895 K HA 0.103 4.419 4.320 -0.006 0.000 0.204 895 K C -0.392 176.122 176.600 -0.144 0.000 1.067 895 K CA -0.682 55.416 56.287 -0.316 0.000 1.060 895 K CB -0.197 31.964 32.500 -0.564 0.000 0.873 895 K HN -0.010 nan 8.250 nan 0.000 0.540 896 F N 2.793 122.615 119.950 -0.213 0.000 2.590 896 F HA 0.075 4.599 4.527 -0.006 0.000 0.389 896 F C -0.417 175.344 175.800 -0.067 0.000 1.049 896 F CA 0.012 57.928 58.000 -0.139 0.000 1.199 896 F CB 0.513 39.450 39.000 -0.106 0.000 1.058 896 F HN 0.260 nan 8.300 nan 0.000 0.556 897 C N 8.591 127.485 119.300 -0.677 0.000 2.551 897 C HA 0.354 4.811 4.460 -0.006 0.000 0.332 897 C C 0.833 175.408 174.990 -0.690 0.000 1.139 897 C CA -0.960 57.748 59.018 -0.518 0.000 1.328 897 C CB 0.254 27.898 27.740 -0.161 0.000 1.903 897 C HN 0.909 nan 8.230 nan 0.000 0.459 898 L N 3.766 124.588 121.223 -0.669 0.000 2.027 898 L HA -0.002 4.335 4.340 -0.006 0.000 0.206 898 L C 2.621 179.345 176.870 -0.244 0.000 1.074 898 L CA 2.031 56.601 54.840 -0.450 0.000 0.745 898 L CB -1.577 40.356 42.059 -0.211 0.000 0.898 898 L HN 0.893 nan 8.230 nan 0.000 0.433 899 S N -1.287 114.232 115.700 -0.302 0.000 2.419 899 S HA -0.160 4.307 4.470 -0.006 0.000 0.233 899 S C 2.234 176.844 174.600 0.017 0.000 1.016 899 S CA 1.149 59.384 58.200 0.059 0.000 0.974 899 S CB -0.092 63.230 63.200 0.203 0.000 0.786 899 S HN 0.464 nan 8.310 nan 0.000 0.492 900 C N 0.882 120.135 119.300 -0.078 0.000 2.508 900 C HA 0.126 4.583 4.460 -0.006 0.000 0.280 900 C C 2.404 177.330 174.990 -0.108 0.000 1.262 900 C CA 0.511 59.482 59.018 -0.079 0.000 1.706 900 C CB -1.359 26.294 27.740 -0.146 0.000 2.078 900 C HN 0.637 nan 8.230 nan 0.000 0.480 901 I N 1.197 121.657 120.570 -0.184 0.000 2.151 901 I HA -0.280 3.887 4.170 -0.006 0.000 0.243 901 I C 3.067 179.121 176.117 -0.105 0.000 1.080 901 I CA 2.260 63.465 61.300 -0.158 0.000 1.339 901 I CB -0.852 37.016 38.000 -0.221 0.000 1.039 901 I HN 0.419 nan 8.210 nan 0.000 0.409 902 R N 1.022 121.461 120.500 -0.102 0.000 2.103 902 R HA -0.162 4.175 4.340 -0.006 0.000 0.234 902 R C 2.456 178.742 176.300 -0.023 0.000 1.132 902 R CA 2.498 58.555 56.100 -0.072 0.000 0.925 902 R CB -2.047 28.234 30.300 -0.032 0.000 0.842 902 R HN 0.413 nan 8.270 nan 0.000 0.430 903 L N 0.142 121.372 121.223 0.011 0.000 2.079 903 L HA 0.270 4.606 4.340 -0.006 0.000 0.210 903 L C 3.041 179.908 176.870 -0.004 0.000 1.081 903 L CA 3.066 57.917 54.840 0.018 0.000 0.752 903 L CB -1.878 40.203 42.059 0.036 0.000 0.896 903 L HN 0.890 nan 8.230 nan 0.000 0.433 904 A N -0.325 122.481 122.820 -0.023 0.000 1.834 904 A HA -0.096 4.221 4.320 -0.006 0.000 0.216 904 A C 2.534 180.106 177.584 -0.020 0.000 1.203 904 A CA 3.159 55.180 52.037 -0.028 0.000 0.621 904 A CB -1.321 17.651 19.000 -0.046 0.000 0.841 904 A HN 1.128 nan 8.150 nan 0.000 0.446 905 E N -0.242 119.942 120.200 -0.027 0.000 2.136 905 E HA -0.244 4.102 4.350 -0.006 0.000 0.202 905 E C 1.894 178.490 176.600 -0.006 0.000 1.019 905 E CA 1.739 58.128 56.400 -0.018 0.000 0.819 905 E CB -0.937 28.746 29.700 -0.029 0.000 0.739 905 E HN 0.403 nan 8.360 nan 0.000 0.458 906 L N 0.027 121.247 121.223 -0.005 0.000 1.956 906 L HA -0.232 4.104 4.340 -0.006 0.000 0.216 906 L C 3.235 180.110 176.870 0.008 0.000 1.073 906 L CA 3.047 57.890 54.840 0.006 0.000 0.762 906 L CB -1.825 40.239 42.059 0.009 0.000 0.889 906 L HN 0.637 nan 8.230 nan 0.000 0.433 907 R N -0.257 120.246 120.500 0.004 0.000 2.096 907 R HA -0.220 4.117 4.340 -0.006 0.000 0.240 907 R C 2.004 178.309 176.300 0.009 0.000 1.139 907 R CA 1.738 57.841 56.100 0.005 0.000 0.952 907 R CB -1.358 28.942 30.300 0.001 0.000 0.854 907 R HN 0.548 nan 8.270 nan 0.000 0.436 908 Q N 0.166 119.971 119.800 0.008 0.000 2.045 908 Q HA -0.186 4.151 4.340 -0.006 0.000 0.206 908 Q C 2.221 178.236 176.000 0.025 0.000 0.991 908 Q CA 2.102 57.913 55.803 0.014 0.000 0.851 908 Q CB -0.464 28.279 28.738 0.008 0.000 0.911 908 Q HN 0.743 nan 8.270 nan 0.000 0.418 909 K N 0.347 120.761 120.400 0.024 0.000 2.074 909 K HA -0.195 4.122 4.320 -0.006 0.000 0.209 909 K C 1.823 178.447 176.600 0.041 0.000 1.048 909 K CA 1.414 57.722 56.287 0.035 0.000 0.926 909 K CB 0.227 32.746 32.500 0.031 0.000 0.713 909 K HN 0.092 nan 8.250 nan 0.000 0.444 910 E N -0.028 120.189 120.200 0.028 0.000 2.016 910 E HA -0.124 4.223 4.350 -0.006 0.000 0.190 910 E C 1.265 177.877 176.600 0.021 0.000 0.985 910 E CA 1.138 57.550 56.400 0.019 0.000 0.802 910 E CB -0.911 28.793 29.700 0.007 0.000 0.762 910 E HN 0.400 nan 8.360 nan 0.000 0.448 911 M N 3.563 123.177 119.600 0.022 0.000 2.504 911 M HA 0.068 4.545 4.480 -0.006 0.000 0.378 911 M C -2.015 174.319 176.300 0.056 0.000 1.706 911 M CA -0.449 54.867 55.300 0.028 0.000 1.036 911 M CB -1.630 30.983 32.600 0.023 0.000 2.129 911 M HN -0.203 nan 8.290 nan 0.000 0.474 912 P HA 0.449 nan 4.420 nan 0.000 0.261 912 P C -0.039 177.325 177.300 0.105 0.000 1.173 912 P CA 0.910 64.101 63.100 0.152 0.000 0.760 912 P CB 0.102 31.908 31.700 0.177 0.000 0.783 913 K N 1.514 121.974 120.400 0.101 0.000 2.482 913 K HA 0.706 5.022 4.320 -0.006 0.000 0.257 913 K C -1.276 175.332 176.600 0.012 0.000 0.969 913 K CA -0.796 55.520 56.287 0.048 0.000 0.842 913 K CB 1.995 34.522 32.500 0.044 0.000 1.359 913 K HN 0.391 nan 8.250 nan 0.000 0.441 914 V N 3.499 123.408 119.914 -0.008 0.000 2.448 914 V HA 0.580 4.696 4.120 -0.006 0.000 0.295 914 V C 0.432 176.518 176.094 -0.013 0.000 1.025 914 V CA -0.524 61.755 62.300 -0.035 0.000 0.859 914 V CB 0.767 32.560 31.823 -0.051 0.000 0.988 914 V HN 0.846 nan 8.190 nan 0.000 0.431 915 L N 4.330 125.546 121.223 -0.012 0.000 2.189 915 L HA 0.462 4.799 4.340 -0.006 0.000 0.199 915 L C 1.416 178.288 176.870 0.003 0.000 1.074 915 L CA 1.155 55.997 54.840 0.003 0.000 0.783 915 L CB -0.349 41.716 42.059 0.011 0.000 0.955 915 L HN 0.820 nan 8.230 nan 0.000 0.460 916 E N 0.989 121.188 120.200 -0.001 0.000 2.165 916 E HA 0.483 4.830 4.350 -0.006 0.000 0.266 916 E C -0.859 175.745 176.600 0.007 0.000 0.889 916 E CA -0.605 55.798 56.400 0.006 0.000 0.756 916 E CB 0.864 30.571 29.700 0.011 0.000 1.131 916 E HN 0.269 nan 8.360 nan 0.000 0.411 917 Q N 1.521 121.330 119.800 0.015 0.000 2.241 917 Q HA 0.543 4.879 4.340 -0.006 0.000 0.254 917 Q C 0.551 176.573 176.000 0.037 0.000 0.917 917 Q CA -0.377 55.442 55.803 0.027 0.000 0.919 917 Q CB 1.943 30.696 28.738 0.025 0.000 1.237 917 Q HN 0.767 nan 8.270 nan 0.000 0.434 918 I N 0.055 120.661 120.570 0.061 0.000 2.834 918 I HA 0.059 4.226 4.170 -0.006 0.000 0.239 918 I C 0.649 176.794 176.117 0.047 0.000 1.073 918 I CA 0.744 62.082 61.300 0.063 0.000 1.459 918 I CB 0.416 38.477 38.000 0.101 0.000 1.288 918 I HN 0.620 nan 8.210 nan 0.000 0.455 919 E N -0.322 119.916 120.200 0.063 0.000 2.435 919 E HA 0.492 4.838 4.350 -0.006 0.000 0.272 919 E C -1.127 175.497 176.600 0.041 0.000 1.031 919 E CA -0.400 56.014 56.400 0.022 0.000 0.872 919 E CB 1.753 31.433 29.700 -0.034 0.000 1.588 919 E HN 0.140 nan 8.360 nan 0.000 0.460 920 E N -0.082 120.120 120.200 0.003 0.000 2.222 920 E HA 0.720 5.067 4.350 -0.006 0.000 0.267 920 E C -0.920 175.651 176.600 -0.049 0.000 0.884 920 E CA -0.195 56.210 56.400 0.009 0.000 0.764 920 E CB 1.756 31.464 29.700 0.014 0.000 1.169 920 E HN 0.628 nan 8.360 nan 0.000 0.413 921 V N -1.167 118.706 119.914 -0.068 0.000 2.924 921 V HA 0.683 4.800 4.120 -0.006 0.000 0.300 921 V C 0.537 176.578 176.094 -0.088 0.000 1.227 921 V CA 0.790 63.018 62.300 -0.120 0.000 0.954 921 V CB 1.265 32.943 31.823 -0.241 0.000 1.055 921 V HN 1.918 nan 8.190 nan 0.000 0.429 922 D N 2.316 122.673 120.400 -0.071 0.000 2.772 922 D HA 0.316 4.953 4.640 -0.006 0.000 0.233 922 D C 2.311 178.591 176.300 -0.033 0.000 1.143 922 D CA 2.075 56.043 54.000 -0.053 0.000 0.700 922 D CB -1.410 39.351 40.800 -0.065 0.000 1.076 922 D HN 3.098 nan 8.370 nan 0.000 0.430 923 G N -1.710 107.077 108.800 -0.021 0.000 2.179 923 G HA2 -0.191 3.766 3.960 -0.006 0.000 0.257 923 G HA3 -0.191 3.766 3.960 -0.006 0.000 0.257 923 G C 0.279 175.186 174.900 0.012 0.000 1.010 923 G CA 0.847 45.943 45.100 -0.006 0.000 0.736 923 G HN 1.100 nan 8.290 nan 0.000 0.513 924 R N -1.036 119.486 120.500 0.036 0.000 2.670 924 R HA 0.710 5.046 4.340 -0.006 0.000 0.289 924 R C 0.047 176.444 176.300 0.162 0.000 0.965 924 R CA 0.013 56.170 56.100 0.096 0.000 0.899 924 R CB 1.641 32.012 30.300 0.119 0.000 1.173 924 R HN 0.749 nan 8.270 nan 0.000 0.456 925 V N 4.268 124.273 119.914 0.152 0.000 2.304 925 V HA 0.298 4.415 4.120 -0.006 0.000 0.262 925 V C -0.315 175.903 176.094 0.207 0.000 1.061 925 V CA -0.420 61.969 62.300 0.148 0.000 0.872 925 V CB -0.139 31.727 31.823 0.072 0.000 1.077 925 V HN 0.587 nan 8.190 nan 0.000 0.480 926 Y N 4.187 124.502 120.300 0.024 0.000 2.496 926 Y HA 0.349 4.895 4.550 -0.006 0.000 0.334 926 Y C 0.917 176.818 175.900 0.002 0.000 1.080 926 Y CA -0.277 57.841 58.100 0.029 0.000 1.355 926 Y CB 0.821 39.295 38.460 0.024 0.000 1.193 926 Y HN 0.710 nan 8.280 nan 0.000 0.523 927 C N 1.079 120.389 119.300 0.017 0.000 2.407 927 C HA 0.391 4.848 4.460 -0.006 0.000 0.366 927 C C 1.176 176.153 174.990 -0.022 0.000 1.213 927 C CA -0.231 58.780 59.018 -0.012 0.000 2.011 927 C CB 1.526 29.223 27.740 -0.072 0.000 2.306 927 C HN 0.939 nan 8.230 nan 0.000 0.527 928 S N -0.971 114.720 115.700 -0.014 0.000 2.631 928 S HA 0.187 4.654 4.470 -0.006 0.000 0.246 928 S C 0.205 174.796 174.600 -0.016 0.000 1.068 928 S CA 0.085 58.282 58.200 -0.006 0.000 0.995 928 S CB 0.118 63.333 63.200 0.024 0.000 0.944 928 S HN 0.786 nan 8.310 nan 0.000 0.529 929 S N 1.495 117.179 115.700 -0.026 0.000 2.672 929 S HA 0.763 5.230 4.470 -0.006 0.000 0.291 929 S C -0.748 173.825 174.600 -0.045 0.000 1.145 929 S CA -0.826 57.364 58.200 -0.017 0.000 1.013 929 S CB 0.710 63.914 63.200 0.007 0.000 1.017 929 S HN 0.642 nan 8.310 nan 0.000 0.487 930 I N 1.290 121.825 120.570 -0.059 0.000 3.095 930 I HA 0.825 4.992 4.170 -0.006 0.000 0.310 930 I C -0.800 175.333 176.117 0.027 0.000 1.196 930 I CA -0.687 60.553 61.300 -0.100 0.000 0.985 930 I CB 1.977 39.774 38.000 -0.339 0.000 1.250 930 I HN 0.570 nan 8.210 nan 0.000 0.446 931 T N 1.786 116.390 114.554 0.083 0.000 2.901 931 T HA 0.622 4.969 4.350 -0.006 0.000 0.293 931 T C -1.342 173.575 174.700 0.362 0.000 1.084 931 T CA -0.599 61.651 62.100 0.251 0.000 1.008 931 T CB 1.980 70.947 68.868 0.165 0.000 1.170 931 T HN 0.961 nan 8.240 nan 0.000 0.509 932 K N 2.420 123.078 120.400 0.430 0.000 2.587 932 K HA 0.336 4.653 4.320 -0.006 0.000 0.256 932 K C -0.757 175.972 176.600 0.215 0.000 0.974 932 K CA -0.417 56.047 56.287 0.294 0.000 0.855 932 K CB 0.591 33.199 32.500 0.180 0.000 1.292 932 K HN 0.824 nan 8.250 nan 0.000 0.444 933 N N 3.059 121.831 118.700 0.121 0.000 2.756 933 N HA -0.194 4.543 4.740 -0.006 0.000 0.248 933 N C 0.477 176.046 175.510 0.098 0.000 1.062 933 N CA 2.231 55.335 53.050 0.090 0.000 0.696 933 N CB -1.186 37.342 38.487 0.070 0.000 0.946 933 N HN 1.114 nan 8.380 nan 0.000 0.548 934 G N -2.735 106.123 108.800 0.096 0.000 2.245 934 G HA2 -0.304 3.652 3.960 -0.006 0.000 0.264 934 G HA3 -0.304 3.652 3.960 -0.006 0.000 0.264 934 G C 0.175 175.116 174.900 0.069 0.000 0.985 934 G CA 0.521 45.664 45.100 0.072 0.000 0.625 934 G HN 0.851 nan 8.290 nan 0.000 0.536 935 V N 0.749 120.723 119.914 0.100 0.000 2.617 935 V HA 0.647 4.764 4.120 -0.006 0.000 0.298 935 V C 0.492 176.626 176.094 0.068 0.000 1.048 935 V CA -0.696 61.618 62.300 0.023 0.000 0.964 935 V CB 1.972 33.762 31.823 -0.054 0.000 1.004 935 V HN 0.281 nan 8.190 nan 0.000 0.466 936 V N 4.662 124.539 119.914 -0.061 0.000 2.378 936 V HA 0.438 4.555 4.120 -0.006 0.000 0.288 936 V C -0.919 175.145 176.094 -0.049 0.000 1.016 936 V CA -0.682 61.641 62.300 0.038 0.000 0.840 936 V CB 0.933 32.774 31.823 0.030 0.000 0.994 936 V HN 0.733 nan 8.190 nan 0.000 0.431 937 Y N 4.209 124.524 120.300 0.024 0.000 2.361 937 Y HA 0.757 5.304 4.550 -0.006 0.000 0.332 937 Y C 0.631 176.510 175.900 -0.034 0.000 1.101 937 Y CA -0.844 57.258 58.100 0.004 0.000 1.137 937 Y CB 1.544 40.006 38.460 0.003 0.000 1.207 937 Y HN 0.465 nan 8.280 nan 0.000 0.463 938 R N 2.035 122.609 120.500 0.125 0.000 2.771 938 R HA 0.464 4.800 4.340 -0.006 0.000 0.274 938 R C -1.355 174.988 176.300 0.072 0.000 0.987 938 R CA -1.267 54.874 56.100 0.068 0.000 0.908 938 R CB 2.072 32.405 30.300 0.055 0.000 1.213 938 R HN 0.611 nan 8.270 nan 0.000 0.468 939 L N 1.579 122.832 121.223 0.050 0.000 2.653 939 L HA -0.121 4.216 4.340 -0.006 0.000 0.288 939 L C 1.426 178.358 176.870 0.104 0.000 1.243 939 L CA 1.638 56.517 54.840 0.065 0.000 0.906 939 L CB 0.012 42.106 42.059 0.059 0.000 1.154 939 L HN 1.136 nan 8.230 nan 0.000 0.498 940 G N 1.460 110.343 108.800 0.140 0.000 2.317 940 G HA2 -0.228 3.728 3.960 -0.006 0.000 0.227 940 G HA3 -0.228 3.728 3.960 -0.006 0.000 0.227 940 G C 0.275 175.288 174.900 0.189 0.000 1.042 940 G CA -0.080 45.125 45.100 0.176 0.000 0.623 940 G HN 0.600 nan 8.290 nan 0.000 0.509 941 D N 0.935 121.428 120.400 0.156 0.000 2.354 941 D HA 0.542 5.179 4.640 -0.006 0.000 0.238 941 D C 0.340 176.749 176.300 0.181 0.000 1.250 941 D CA 0.791 54.883 54.000 0.153 0.000 0.911 941 D CB 1.149 42.022 40.800 0.123 0.000 1.163 941 D HN 0.202 nan 8.370 nan 0.000 0.456 942 S N -1.008 114.789 115.700 0.160 0.000 2.568 942 S HA 0.726 5.192 4.470 -0.006 0.000 0.302 942 S C -0.242 174.414 174.600 0.094 0.000 1.082 942 S CA -0.778 57.516 58.200 0.157 0.000 1.009 942 S CB 1.755 65.063 63.200 0.179 0.000 1.069 942 S HN 0.400 nan 8.310 nan 0.000 0.500 943 V N 2.246 122.216 119.914 0.094 0.000 2.735 943 V HA 0.734 4.851 4.120 -0.006 0.000 0.310 943 V C -1.472 174.642 176.094 0.035 0.000 1.061 943 V CA -0.889 61.470 62.300 0.098 0.000 0.913 943 V CB 1.086 33.003 31.823 0.157 0.000 1.005 943 V HN 0.802 nan 8.190 nan 0.000 0.428 944 Y N 4.028 124.331 120.300 0.005 0.000 2.319 944 Y HA 0.761 5.308 4.550 -0.006 0.000 0.328 944 Y C 0.098 175.808 175.900 -0.317 0.000 1.133 944 Y CA -1.009 56.991 58.100 -0.167 0.000 1.265 944 Y CB 1.310 39.622 38.460 -0.246 0.000 1.218 944 Y HN 0.581 nan 8.280 nan 0.000 0.508 945 L N 5.240 126.359 121.223 -0.173 0.000 2.424 945 L HA 0.495 4.831 4.340 -0.006 0.000 0.258 945 L C -2.521 174.180 176.870 -0.281 0.000 0.995 945 L CA -2.429 52.269 54.840 -0.238 0.000 0.821 945 L CB 2.759 44.751 42.059 -0.111 0.000 1.383 945 L HN 0.363 nan 8.230 nan 0.000 0.410 946 P HA 0.028 nan 4.420 nan 0.000 0.267 946 P C -2.179 175.028 177.300 -0.154 0.000 1.201 946 P CA -0.739 62.281 63.100 -0.133 0.000 0.775 946 P CB 0.074 31.699 31.700 -0.125 0.000 0.854 947 P HA -0.131 nan 4.420 nan 0.000 0.226 947 P C 0.519 177.696 177.300 -0.204 0.000 1.146 947 P CA 1.397 64.410 63.100 -0.144 0.000 0.773 947 P CB 0.060 31.726 31.700 -0.057 0.000 0.772 948 E N -1.253 118.845 120.200 -0.170 0.000 2.452 948 E HA 0.173 4.520 4.350 -0.006 0.000 0.197 948 E C 1.925 178.423 176.600 -0.171 0.000 1.022 948 E CA 0.221 56.531 56.400 -0.149 0.000 0.890 948 E CB -0.731 28.916 29.700 -0.090 0.000 0.918 948 E HN 0.063 nan 8.360 nan 0.000 0.496 949 A N 0.788 123.474 122.820 -0.224 0.000 2.076 949 A HA 0.027 4.344 4.320 -0.006 0.000 0.220 949 A C 0.524 178.081 177.584 -0.044 0.000 1.160 949 A CA 1.153 53.102 52.037 -0.148 0.000 0.653 949 A CB -0.688 18.223 19.000 -0.149 0.000 0.801 949 A HN 0.387 nan 8.150 nan 0.000 0.455 950 F N -4.499 115.329 119.950 -0.204 0.000 2.829 950 F HA 0.518 5.042 4.527 -0.006 0.000 0.319 950 F C -0.518 175.056 175.800 -0.377 0.000 1.153 950 F CA -0.647 57.196 58.000 -0.263 0.000 0.912 950 F CB 0.351 39.180 39.000 -0.286 0.000 1.292 950 F HN -0.001 nan 8.300 nan 0.000 0.447 951 T N -1.073 113.461 114.554 -0.034 0.000 2.937 951 T HA 0.761 5.108 4.350 -0.006 0.000 0.283 951 T C -1.064 173.510 174.700 -0.211 0.000 1.012 951 T CA -0.670 61.326 62.100 -0.173 0.000 0.997 951 T CB 1.755 70.600 68.868 -0.038 0.000 1.136 951 T HN 0.471 nan 8.240 nan 0.000 0.551 952 F N 0.507 120.513 119.950 0.092 0.000 2.422 952 F HA 0.404 4.928 4.527 -0.005 0.000 0.333 952 F C 1.190 177.061 175.800 0.119 0.000 1.095 952 F CA -1.188 56.850 58.000 0.062 0.000 1.038 952 F CB 0.871 39.856 39.000 -0.025 0.000 1.156 952 F HN 0.592 nan 8.300 nan 0.000 0.483 953 N N 2.244 121.142 118.700 0.331 0.000 3.167 953 N HA 0.318 5.055 4.740 -0.006 0.000 0.318 953 N C -0.490 175.157 175.510 0.228 0.000 1.268 953 N CA -0.153 53.025 53.050 0.214 0.000 1.197 953 N CB -0.216 38.355 38.487 0.139 0.000 1.464 953 N HN 0.498 nan 8.380 nan 0.000 0.555 954 I N -0.698 120.025 120.570 0.256 0.000 2.497 954 I HA 0.540 4.707 4.170 -0.006 0.000 0.284 954 I C 0.525 176.731 176.117 0.148 0.000 1.060 954 I CA -1.377 60.045 61.300 0.203 0.000 1.071 954 I CB 0.308 38.486 38.000 0.297 0.000 1.216 954 I HN 0.251 nan 8.210 nan 0.000 0.442 955 K N 3.635 124.090 120.400 0.091 0.000 2.473 955 K HA 0.613 4.930 4.320 -0.006 0.000 0.277 955 K C -0.089 176.559 176.600 0.079 0.000 1.052 955 K CA 0.832 57.161 56.287 0.069 0.000 1.114 955 K CB -0.556 31.968 32.500 0.039 0.000 0.869 955 K HN 2.494 nan 8.250 nan 0.000 0.481 956 V N 1.569 121.530 119.914 0.078 0.000 2.370 956 V HA 0.711 4.828 4.120 -0.006 0.000 0.279 956 V C 0.744 176.874 176.094 0.061 0.000 1.029 956 V CA -0.598 61.749 62.300 0.078 0.000 0.870 956 V CB 1.014 32.888 31.823 0.085 0.000 0.984 956 V HN 1.323 nan 8.190 nan 0.000 0.451 957 A N 4.749 127.603 122.820 0.058 0.000 2.444 957 A HA 0.627 4.944 4.320 -0.006 0.000 0.273 957 A C 1.051 178.666 177.584 0.051 0.000 1.136 957 A CA 0.516 52.582 52.037 0.049 0.000 0.799 957 A CB -0.680 18.348 19.000 0.047 0.000 1.081 957 A HN 2.202 nan 8.150 nan 0.000 0.509 958 S N 4.575 120.301 115.700 0.044 0.000 2.506 958 S HA 0.424 4.891 4.470 -0.006 0.000 0.291 958 S C -1.520 173.106 174.600 0.043 0.000 1.230 958 S CA -0.936 57.290 58.200 0.043 0.000 1.107 958 S CB -0.719 62.502 63.200 0.035 0.000 0.942 958 S HN 0.610 nan 8.310 nan 0.000 0.502 959 P HA 0.161 nan 4.420 nan 0.000 0.261 959 P C -0.165 177.159 177.300 0.041 0.000 1.173 959 P CA -0.102 63.028 63.100 0.051 0.000 0.760 959 P CB 0.469 32.203 31.700 0.057 0.000 0.783 960 V N -0.464 119.474 119.914 0.039 0.000 2.483 960 V HA 0.721 4.837 4.120 -0.006 0.000 0.295 960 V C 0.422 176.534 176.094 0.030 0.000 1.035 960 V CA -0.704 61.615 62.300 0.032 0.000 0.896 960 V CB 0.567 32.408 31.823 0.030 0.000 0.986 960 V HN 0.741 nan 8.190 nan 0.000 0.447 961 K N 1.404 121.819 120.400 0.025 0.000 3.689 961 K HA -0.200 4.117 4.320 -0.006 0.000 0.276 961 K C 1.228 177.842 176.600 0.023 0.000 0.932 961 K CA 2.780 59.079 56.287 0.021 0.000 0.758 961 K CB -2.727 29.784 32.500 0.019 0.000 1.500 961 K HN 2.124 nan 8.250 nan 0.000 0.448 962 R N -0.797 119.717 120.500 0.024 0.000 2.083 962 R HA 0.371 4.708 4.340 -0.006 0.000 0.237 962 R C 0.949 177.260 176.300 0.018 0.000 1.137 962 R CA 2.556 58.672 56.100 0.027 0.000 0.951 962 R CB -1.427 28.889 30.300 0.027 0.000 0.851 962 R HN 2.049 nan 8.270 nan 0.000 0.434 963 P HA 0.599 nan 4.420 nan 0.000 0.341 963 P C -1.746 175.549 177.300 -0.010 0.000 1.662 963 P CA -0.663 62.434 63.100 -0.005 0.000 1.392 963 P CB 1.443 33.137 31.700 -0.010 0.000 1.893 964 K N 2.162 122.552 120.400 -0.017 0.000 2.901 964 K HA 0.256 4.573 4.320 -0.006 0.000 0.199 964 K C -0.229 176.351 176.600 -0.032 0.000 1.140 964 K CA -0.246 56.030 56.287 -0.018 0.000 1.030 964 K CB 0.956 33.448 32.500 -0.012 0.000 1.437 964 K HN 0.389 nan 8.250 nan 0.000 0.552 965 K N 2.381 122.759 120.400 -0.037 0.000 2.416 965 K HA 0.006 4.323 4.320 -0.006 0.000 0.283 965 K C -0.036 176.534 176.600 -0.051 0.000 1.037 965 K CA -0.141 56.113 56.287 -0.054 0.000 0.995 965 K CB 0.303 32.773 32.500 -0.049 0.000 0.938 965 K HN 0.371 nan 8.250 nan 0.000 0.475 966 D N 2.920 123.280 120.400 -0.066 0.000 2.299 966 D HA 0.371 5.007 4.640 -0.006 0.000 0.243 966 D C -2.113 174.138 176.300 -0.081 0.000 0.982 966 D CA -2.027 51.937 54.000 -0.061 0.000 0.924 966 D CB 0.215 40.983 40.800 -0.055 0.000 1.238 966 D HN 0.118 nan 8.370 nan 0.000 0.484 967 P HA 0.313 nan 4.420 nan 0.000 0.269 967 P C -0.521 176.703 177.300 -0.126 0.000 1.205 967 P CA -0.252 62.804 63.100 -0.074 0.000 0.780 967 P CB 0.124 31.795 31.700 -0.047 0.000 0.858 968 V N 1.406 121.223 119.914 -0.161 0.000 2.628 968 V HA 0.350 4.466 4.120 -0.006 0.000 0.306 968 V C 0.362 176.372 176.094 -0.139 0.000 1.045 968 V CA -1.091 61.049 62.300 -0.266 0.000 0.905 968 V CB 1.532 33.015 31.823 -0.567 0.000 0.997 968 V HN 0.586 nan 8.190 nan 0.000 0.436 969 N N 3.858 122.513 118.700 -0.074 0.000 2.423 969 N HA 0.196 4.932 4.740 -0.006 0.000 0.275 969 N C 0.946 176.529 175.510 0.122 0.000 1.283 969 N CA 0.942 54.023 53.050 0.053 0.000 0.932 969 N CB 1.512 40.069 38.487 0.116 0.000 1.185 969 N HN 0.925 nan 8.380 nan 0.000 0.483 970 E N 2.647 122.888 120.200 0.069 0.000 2.347 970 E HA -0.105 4.241 4.350 -0.006 0.000 0.196 970 E C 1.761 178.406 176.600 0.074 0.000 1.008 970 E CA 1.630 58.079 56.400 0.082 0.000 0.852 970 E CB -1.124 28.597 29.700 0.036 0.000 0.783 970 E HN 0.856 nan 8.360 nan 0.000 0.505 971 T N -0.526 114.068 114.554 0.066 0.000 3.014 971 T HA 0.318 4.665 4.350 -0.006 0.000 0.263 971 T C 1.945 176.675 174.700 0.050 0.000 1.078 971 T CA 1.356 63.489 62.100 0.054 0.000 1.135 971 T CB -0.086 68.808 68.868 0.043 0.000 0.895 971 T HN 0.246 nan 8.240 nan 0.000 0.480 972 L N -0.894 120.362 121.223 0.056 0.000 2.354 972 L HA 0.333 4.669 4.340 -0.006 0.000 0.212 972 L C -0.249 176.426 176.870 -0.325 0.000 1.091 972 L CA 0.624 55.408 54.840 -0.093 0.000 0.828 972 L CB 0.268 42.302 42.059 -0.041 0.000 0.973 972 L HN 0.417 nan 8.230 nan 0.000 0.461 973 Y N -0.608 119.693 120.300 0.002 0.000 2.638 973 Y HA 0.350 4.897 4.550 -0.005 0.000 0.367 973 Y C -1.719 174.212 175.900 0.053 0.000 1.001 973 Y CA -2.020 56.085 58.100 0.008 0.000 1.133 973 Y CB 0.119 38.543 38.460 -0.060 0.000 1.199 973 Y HN 0.081 nan 8.280 nan 0.000 0.642 974 P HA -0.205 nan 4.420 nan 0.000 0.214 974 P C 1.047 178.472 177.300 0.208 0.000 1.163 974 P CA 1.557 64.729 63.100 0.121 0.000 0.889 974 P CB 0.467 32.266 31.700 0.164 0.000 0.790 975 E N -2.169 118.105 120.200 0.123 0.000 2.403 975 E HA -0.071 4.275 4.350 -0.006 0.000 0.187 975 E C 1.541 177.930 176.600 -0.352 0.000 1.073 975 E CA -0.033 56.282 56.400 -0.142 0.000 0.888 975 E CB -1.124 28.427 29.700 -0.248 0.000 1.035 975 E HN 0.354 nan 8.360 nan 0.000 0.471 976 H N -0.542 118.440 119.070 -0.146 0.000 2.491 976 H HA -0.176 4.377 4.556 -0.006 0.000 0.290 976 H C 1.281 176.445 175.328 -0.273 0.000 1.050 976 H CA 1.383 57.314 56.048 -0.195 0.000 1.309 976 H CB 0.234 29.958 29.762 -0.063 0.000 1.392 976 H HN 0.484 nan 8.280 nan 0.000 0.554 977 Y N 0.539 120.665 120.300 -0.290 0.000 2.403 977 Y HA -0.034 4.513 4.550 -0.006 0.000 0.291 977 Y C 1.878 177.376 175.900 -0.670 0.000 1.143 977 Y CA 0.497 58.365 58.100 -0.387 0.000 1.257 977 Y CB -0.583 37.725 38.460 -0.253 0.000 0.984 977 Y HN -0.075 nan 8.280 nan 0.000 0.550 978 R N 1.372 121.066 120.500 -1.343 0.000 2.328 978 R HA 0.066 4.402 4.340 -0.006 0.000 0.206 978 R C 0.011 175.794 176.300 -0.862 0.000 0.990 978 R CA 0.236 55.556 56.100 -1.299 0.000 1.085 978 R CB -0.110 29.437 30.300 -1.255 0.000 0.998 978 R HN 0.247 nan 8.270 nan 0.000 0.484 979 K N 1.452 121.369 120.400 -0.804 0.000 2.363 979 K HA 0.112 4.429 4.320 -0.006 0.000 0.240 979 K C -0.813 175.539 176.600 -0.414 0.000 1.169 979 K CA -0.172 55.787 56.287 -0.547 0.000 1.131 979 K CB 0.341 32.457 32.500 -0.639 0.000 1.771 979 K HN -0.005 nan 8.250 nan 0.000 0.380 980 Y N 0.266 120.504 120.300 -0.104 0.000 2.296 980 Y HA -0.052 4.495 4.550 -0.005 0.000 0.343 980 Y C 1.503 177.371 175.900 -0.052 0.000 1.292 980 Y CA -0.101 57.969 58.100 -0.050 0.000 1.490 980 Y CB 0.243 38.702 38.460 -0.001 0.000 1.359 980 Y HN 0.252 nan 8.280 nan 0.000 0.599 981 S N 0.745 116.531 115.700 0.143 0.000 2.626 981 S HA 0.357 4.824 4.470 -0.006 0.000 0.303 981 S C -0.348 174.288 174.600 0.060 0.000 1.256 981 S CA 0.438 58.676 58.200 0.064 0.000 1.069 981 S CB -1.082 62.146 63.200 0.047 0.000 0.807 981 S HN 0.735 nan 8.310 nan 0.000 0.500 982 D N 0.936 121.353 120.400 0.028 0.000 2.736 982 D HA 0.535 5.172 4.640 -0.006 0.000 0.223 982 D C -0.443 175.861 176.300 0.008 0.000 1.231 982 D CA -0.095 53.919 54.000 0.024 0.000 0.818 982 D CB 0.259 41.076 40.800 0.027 0.000 1.587 982 D HN 1.031 nan 8.370 nan 0.000 0.463 983 Y N 0.549 120.854 120.300 0.009 0.000 2.480 983 Y HA 0.542 5.089 4.550 -0.006 0.000 0.341 983 Y C 0.596 176.493 175.900 -0.005 0.000 1.031 983 Y CA -0.673 57.429 58.100 0.003 0.000 1.295 983 Y CB -0.091 38.376 38.460 0.011 0.000 1.162 983 Y HN 0.604 nan 8.280 nan 0.000 0.523 984 I N 4.501 125.056 120.570 -0.024 0.000 2.578 984 I HA 0.109 4.276 4.170 -0.006 0.000 0.286 984 I C 0.277 176.354 176.117 -0.067 0.000 1.126 984 I CA -0.867 60.405 61.300 -0.046 0.000 1.380 984 I CB 0.396 38.357 38.000 -0.065 0.000 1.408 984 I HN 0.605 nan 8.210 nan 0.000 0.532 985 K N 5.969 126.342 120.400 -0.045 0.000 2.402 985 K HA 0.485 4.802 4.320 -0.006 0.000 0.285 985 K C 1.042 177.538 176.600 -0.174 0.000 1.054 985 K CA 0.442 56.708 56.287 -0.034 0.000 1.001 985 K CB -0.056 32.459 32.500 0.025 0.000 0.946 985 K HN 0.861 nan 8.250 nan 0.000 0.473 986 G N 0.902 109.474 108.800 -0.380 0.000 2.184 986 G HA2 -0.231 3.726 3.960 -0.006 0.000 0.206 986 G HA3 -0.231 3.726 3.960 -0.006 0.000 0.206 986 G C 0.267 174.449 174.900 -1.197 0.000 0.995 986 G CA -0.181 44.272 45.100 -1.077 0.000 0.651 986 G HN 0.854 nan 8.290 nan 0.000 0.511 987 S N 0.436 115.760 115.700 -0.627 0.000 2.439 987 S HA 0.631 5.098 4.470 -0.006 0.000 0.282 987 S C 0.824 175.263 174.600 -0.269 0.000 1.170 987 S CA -0.202 57.770 58.200 -0.380 0.000 1.054 987 S CB 0.224 63.309 63.200 -0.192 0.000 0.956 987 S HN 0.179 nan 8.310 nan 0.000 0.490 988 N N 1.966 120.535 118.700 -0.219 0.000 2.434 988 N HA 0.004 4.741 4.740 -0.006 0.000 0.196 988 N C 0.878 176.347 175.510 -0.070 0.000 1.183 988 N CA -0.022 52.984 53.050 -0.074 0.000 0.849 988 N CB 0.150 38.615 38.487 -0.036 0.000 0.992 988 N HN 0.608 nan 8.380 nan 0.000 0.460 989 L N 0.354 121.532 121.223 -0.076 0.000 2.622 989 L HA 0.019 4.356 4.340 -0.006 0.000 0.233 989 L C 1.170 178.025 176.870 -0.024 0.000 1.156 989 L CA 1.261 56.071 54.840 -0.050 0.000 0.866 989 L CB -0.159 41.875 42.059 -0.043 0.000 0.980 989 L HN -0.059 nan 8.230 nan 0.000 0.448 990 D N -0.962 119.424 120.400 -0.023 0.000 2.423 990 D HA 0.219 4.855 4.640 -0.006 0.000 0.208 990 D C 0.872 177.166 176.300 -0.011 0.000 1.068 990 D CA 0.478 54.472 54.000 -0.010 0.000 0.860 990 D CB 0.490 41.288 40.800 -0.004 0.000 0.992 990 D HN 0.259 nan 8.370 nan 0.000 0.504 991 A N 1.488 124.294 122.820 -0.023 0.000 2.466 991 A HA 0.400 4.717 4.320 -0.006 0.000 0.238 991 A C -1.991 175.594 177.584 0.003 0.000 1.074 991 A CA -0.566 51.457 52.037 -0.024 0.000 0.774 991 A CB -0.186 18.791 19.000 -0.038 0.000 1.015 991 A HN 0.065 nan 8.150 nan 0.000 0.498 992 P HA 0.335 nan 4.420 nan 0.000 0.289 992 P C -0.415 176.899 177.300 0.023 0.000 1.299 992 P CA -0.536 62.570 63.100 0.010 0.000 0.766 992 P CB 0.450 32.147 31.700 -0.005 0.000 1.226 993 E N 0.185 120.399 120.200 0.023 0.000 2.248 993 E HA 0.322 4.669 4.350 -0.006 0.000 0.272 993 E C -2.191 174.404 176.600 -0.009 0.000 1.008 993 E CA -1.891 54.531 56.400 0.036 0.000 0.856 993 E CB -0.019 29.709 29.700 0.046 0.000 1.120 993 E HN 0.319 nan 8.360 nan 0.000 0.397 994 P HA -0.029 nan 4.420 nan 0.000 0.272 994 P C -0.724 176.552 177.300 -0.041 0.000 1.230 994 P CA -0.135 62.902 63.100 -0.105 0.000 0.788 994 P CB 0.223 31.889 31.700 -0.057 0.000 0.949 995 Y N 0.522 120.721 120.300 -0.168 0.000 3.053 995 Y HA -0.094 4.453 4.550 -0.005 0.000 0.346 995 Y C 1.715 177.541 175.900 -0.122 0.000 1.279 995 Y CA 0.715 58.713 58.100 -0.169 0.000 1.513 995 Y CB -0.233 38.084 38.460 -0.237 0.000 1.295 995 Y HN 0.199 nan 8.280 nan 0.000 0.642 996 R N 2.290 122.790 120.500 -0.001 0.000 2.560 996 R HA 0.544 4.880 4.340 -0.006 0.000 0.270 996 R C -0.581 175.757 176.300 0.063 0.000 1.074 996 R CA -0.572 55.450 56.100 -0.128 0.000 1.140 996 R CB 0.642 30.542 30.300 -0.667 0.000 1.073 996 R HN 0.645 nan 8.270 nan 0.000 0.527 997 I N -0.488 120.194 120.570 0.186 0.000 2.619 997 I HA 0.496 4.663 4.170 -0.006 0.000 0.292 997 I C 0.118 176.479 176.117 0.406 0.000 1.100 997 I CA -0.713 60.723 61.300 0.226 0.000 1.043 997 I CB 2.627 40.639 38.000 0.020 0.000 1.239 997 I HN 0.620 nan 8.210 nan 0.000 0.420 998 G N 3.117 112.105 108.800 0.314 0.000 2.690 998 G HA2 0.647 4.603 3.960 -0.006 0.000 0.293 998 G HA3 0.647 4.603 3.960 -0.006 0.000 0.293 998 G C -1.821 173.162 174.900 0.138 0.000 1.399 998 G CA -0.813 44.375 45.100 0.147 0.000 0.890 998 G HN 0.477 nan 8.290 nan 0.000 0.485 999 R N 0.910 121.405 120.500 -0.007 0.000 2.254 999 R HA 0.423 4.759 4.340 -0.006 0.000 0.318 999 R C 0.965 177.318 176.300 0.089 0.000 1.031 999 R CA -0.723 55.464 56.100 0.144 0.000 0.905 999 R CB 0.454 30.870 30.300 0.193 0.000 1.050 999 R HN 0.620 nan 8.270 nan 0.000 0.456 1000 I N 2.217 122.842 120.570 0.092 0.000 2.533 1000 I HA 0.124 4.291 4.170 -0.006 0.000 0.284 1000 I C 0.513 176.655 176.117 0.042 0.000 1.109 1000 I CA 0.163 61.469 61.300 0.010 0.000 1.412 1000 I CB 1.351 39.352 38.000 0.001 0.000 1.396 1000 I HN 0.794 nan 8.210 nan 0.000 0.543 1001 K N 5.145 125.501 120.400 -0.073 0.000 2.287 1001 K HA 0.261 4.577 4.320 -0.006 0.000 0.199 1001 K C 0.182 176.754 176.600 -0.046 0.000 1.061 1001 K CA 0.334 56.595 56.287 -0.043 0.000 0.976 1001 K CB 0.518 32.789 32.500 -0.381 0.000 0.898 1001 K HN 0.855 nan 8.250 nan 0.000 0.492 1002 E N 0.044 120.168 120.200 -0.128 0.000 2.393 1002 E HA 0.433 4.780 4.350 -0.006 0.000 0.273 1002 E C -1.310 175.121 176.600 -0.281 0.000 0.918 1002 E CA -0.748 55.565 56.400 -0.145 0.000 0.773 1002 E CB 2.755 32.390 29.700 -0.108 0.000 1.275 1002 E HN 0.058 nan 8.360 nan 0.000 0.451 1003 I N 2.581 122.936 120.570 -0.358 0.000 2.503 1003 I HA 0.208 4.374 4.170 -0.006 0.000 0.282 1003 I C -0.954 174.845 176.117 -0.529 0.000 1.059 1003 I CA -0.627 60.411 61.300 -0.437 0.000 1.081 1003 I CB 1.038 38.862 38.000 -0.294 0.000 1.210 1003 I HN 0.452 nan 8.210 nan 0.000 0.450 1004 H N 4.692 123.455 119.070 -0.510 0.000 2.609 1004 H HA 0.664 5.216 4.556 -0.006 0.000 0.344 1004 H C -0.876 174.317 175.328 -0.225 0.000 1.040 1004 H CA -0.857 54.897 56.048 -0.491 0.000 1.216 1004 H CB 1.827 31.150 29.762 -0.731 0.000 1.529 1004 H HN 0.684 nan 8.280 nan 0.000 0.519 1005 C N 1.658 120.963 119.300 0.009 0.000 2.630 1005 C HA 0.913 5.370 4.460 -0.006 0.000 0.346 1005 C C 0.900 175.926 174.990 0.060 0.000 1.245 1005 C CA -0.516 58.514 59.018 0.020 0.000 1.804 1005 C CB 0.996 28.719 27.740 -0.027 0.000 2.279 1005 C HN 1.027 nan 8.230 nan 0.000 0.498 1006 G N 0.769 109.595 108.800 0.043 0.000 2.356 1006 G HA2 0.623 4.580 3.960 -0.006 0.000 0.298 1006 G HA3 0.623 4.580 3.960 -0.006 0.000 0.298 1006 G C -0.133 174.783 174.900 0.026 0.000 1.145 1006 G CA 0.010 45.132 45.100 0.037 0.000 0.850 1006 G HN 1.341 nan 8.290 nan 0.000 0.487 1007 K N 0.835 121.250 120.400 0.025 0.000 2.258 1007 K HA 0.654 4.971 4.320 -0.006 0.000 0.264 1007 K C 0.122 176.729 176.600 0.012 0.000 1.007 1007 K CA -0.352 55.945 56.287 0.018 0.000 0.941 1007 K CB 0.662 33.172 32.500 0.016 0.000 0.966 1007 K HN 0.755 nan 8.250 nan 0.000 0.480 1008 K N -0.056 120.349 120.400 0.010 0.000 2.707 1008 K HA 0.460 4.777 4.320 -0.006 0.000 0.283 1008 K C -0.402 176.202 176.600 0.005 0.000 1.105 1008 K CA 0.682 56.974 56.287 0.007 0.000 1.018 1008 K CB 0.479 32.984 32.500 0.007 0.000 1.315 1008 K HN 1.357 nan 8.250 nan 0.000 0.495 1009 K N 1.736 122.138 120.400 0.004 0.000 3.167 1009 K HA -0.057 4.259 4.320 -0.006 0.000 0.272 1009 K C 1.057 177.659 176.600 0.003 0.000 1.137 1009 K CA 1.822 58.111 56.287 0.003 0.000 0.800 1009 K CB -2.823 29.679 32.500 0.003 0.000 1.253 1009 K HN 2.072 nan 8.250 nan 0.000 0.497 1010 G N -3.901 104.901 108.800 0.004 0.000 2.205 1010 G HA2 0.298 4.254 3.960 -0.006 0.000 0.261 1010 G HA3 0.298 4.254 3.960 -0.006 0.000 0.261 1010 G C 0.580 175.483 174.900 0.005 0.000 0.980 1010 G CA 1.866 46.968 45.100 0.004 0.000 0.632 1010 G HN 2.354 nan 8.290 nan 0.000 0.533 1011 K N -1.006 119.398 120.400 0.006 0.000 2.395 1011 K HA 1.080 5.397 4.320 -0.006 0.000 0.245 1011 K C 0.510 177.115 176.600 0.010 0.000 1.017 1011 K CA 0.235 56.527 56.287 0.008 0.000 0.852 1011 K CB 0.787 33.291 32.500 0.006 0.000 1.311 1011 K HN 1.814 nan 8.250 nan 0.000 0.452 1012 V N 0.839 120.759 119.914 0.010 0.000 2.999 1012 V HA 0.314 4.430 4.120 -0.006 0.000 0.307 1012 V C 0.361 176.461 176.094 0.010 0.000 1.084 1012 V CA -0.127 62.179 62.300 0.012 0.000 1.155 1012 V CB 0.357 32.185 31.823 0.009 0.000 0.975 1012 V HN 0.882 nan 8.190 nan 0.000 0.490 1013 N N 2.220 120.927 118.700 0.011 0.000 2.417 1013 N HA 0.356 5.092 4.740 -0.006 0.000 0.274 1013 N C 0.212 175.729 175.510 0.011 0.000 0.987 1013 N CA -0.275 52.782 53.050 0.011 0.000 0.912 1013 N CB 1.370 39.864 38.487 0.012 0.000 1.177 1013 N HN 0.804 nan 8.380 nan 0.000 0.490 1014 E N 2.158 122.367 120.200 0.015 0.000 2.400 1014 E HA 0.052 4.399 4.350 -0.006 0.000 0.195 1014 E C 1.464 178.087 176.600 0.039 0.000 1.012 1014 E CA 0.108 56.522 56.400 0.023 0.000 0.875 1014 E CB 0.298 30.015 29.700 0.028 0.000 0.859 1014 E HN 0.667 nan 8.360 nan 0.000 0.498 1015 A N 1.424 124.259 122.820 0.026 0.000 2.172 1015 A HA -0.115 4.202 4.320 -0.006 0.000 0.216 1015 A C 0.727 178.323 177.584 0.021 0.000 1.154 1015 A CA 0.929 52.978 52.037 0.021 0.000 0.701 1015 A CB 0.041 19.047 19.000 0.009 0.000 0.789 1015 A HN 0.082 nan 8.150 nan 0.000 0.465 1016 D N -0.309 120.105 120.400 0.023 0.000 2.400 1016 D HA 0.460 5.097 4.640 -0.006 0.000 0.272 1016 D C -1.037 175.270 176.300 0.013 0.000 1.220 1016 D CA -0.214 53.798 54.000 0.020 0.000 0.897 1016 D CB -0.038 40.773 40.800 0.018 0.000 1.134 1016 D HN 0.201 nan 8.370 nan 0.000 0.507 1017 I N 2.599 123.178 120.570 0.016 0.000 2.406 1017 I HA 0.377 4.543 4.170 -0.006 0.000 0.290 1017 I C 0.359 176.427 176.117 -0.080 0.000 0.999 1017 I CA -0.753 60.514 61.300 -0.056 0.000 1.124 1017 I CB 1.674 39.610 38.000 -0.108 0.000 1.289 1017 I HN -0.057 nan 8.210 nan 0.000 0.441 1018 K N 6.371 126.635 120.400 -0.226 0.000 2.295 1018 K HA 0.781 5.097 4.320 -0.006 0.000 0.239 1018 K C -1.253 175.059 176.600 -0.480 0.000 0.991 1018 K CA -0.887 55.225 56.287 -0.292 0.000 0.845 1018 K CB 2.578 34.940 32.500 -0.230 0.000 1.197 1018 K HN 0.425 nan 8.250 nan 0.000 0.441 1019 L N 1.738 122.755 121.223 -0.344 0.000 2.406 1019 L HA 0.471 4.808 4.340 -0.006 0.000 0.272 1019 L C -0.429 176.273 176.870 -0.280 0.000 0.980 1019 L CA -0.797 53.851 54.840 -0.320 0.000 0.831 1019 L CB 1.962 43.909 42.059 -0.187 0.000 1.253 1019 L HN 0.494 nan 8.230 nan 0.000 0.406 1020 R N 4.090 124.411 120.500 -0.299 0.000 2.210 1020 R HA 0.622 4.959 4.340 -0.006 0.000 0.338 1020 R C -1.289 174.822 176.300 -0.315 0.000 1.062 1020 R CA -0.251 55.690 56.100 -0.264 0.000 0.902 1020 R CB 0.389 30.560 30.300 -0.215 0.000 1.050 1020 R HN 0.581 nan 8.270 nan 0.000 0.461 1021 L N 4.251 125.265 121.223 -0.349 0.000 2.330 1021 L HA 0.456 4.792 4.340 -0.006 0.000 0.271 1021 L C -0.820 175.726 176.870 -0.540 0.000 1.013 1021 L CA -1.302 53.321 54.840 -0.363 0.000 0.816 1021 L CB 1.337 43.238 42.059 -0.264 0.000 1.287 1021 L HN 0.493 nan 8.230 nan 0.000 0.435 1022 Y N 1.052 121.101 120.300 -0.418 0.000 2.327 1022 Y HA 0.261 4.808 4.550 -0.006 0.000 0.336 1022 Y C 0.322 175.748 175.900 -0.789 0.000 1.035 1022 Y CA -0.530 57.178 58.100 -0.653 0.000 1.165 1022 Y CB 0.779 38.672 38.460 -0.945 0.000 1.181 1022 Y HN 0.353 nan 8.280 nan 0.000 0.494 1023 K N 2.873 122.939 120.400 -0.556 0.000 2.414 1023 K HA 0.184 4.500 4.320 -0.006 0.000 0.272 1023 K C -1.257 175.100 176.600 -0.405 0.000 0.993 1023 K CA 0.173 56.195 56.287 -0.441 0.000 0.964 1023 K CB 0.392 32.695 32.500 -0.328 0.000 0.925 1023 K HN 0.386 nan 8.250 nan 0.000 0.487 1024 F N 1.862 121.846 119.950 0.057 0.000 2.467 1024 F HA 0.244 4.768 4.527 -0.005 0.000 0.336 1024 F C -0.422 175.505 175.800 0.211 0.000 1.123 1024 F CA -0.778 57.277 58.000 0.090 0.000 0.964 1024 F CB 0.895 39.913 39.000 0.029 0.000 1.136 1024 F HN 0.350 nan 8.300 nan 0.000 0.447 1025 Y N 3.766 124.269 120.300 0.339 0.000 2.365 1025 Y HA 0.374 4.921 4.550 -0.006 0.000 0.340 1025 Y C 0.893 176.851 175.900 0.096 0.000 1.016 1025 Y CA -0.354 57.776 58.100 0.050 0.000 1.196 1025 Y CB 0.688 39.139 38.460 -0.014 0.000 1.167 1025 Y HN 0.410 nan 8.280 nan 0.000 0.509 1026 R N 4.810 125.375 120.500 0.109 0.000 2.694 1026 R HA 0.029 4.366 4.340 -0.006 0.000 0.268 1026 R C -1.610 174.754 176.300 0.107 0.000 1.061 1026 R CA -1.312 54.840 56.100 0.087 0.000 1.133 1026 R CB 0.080 30.418 30.300 0.064 0.000 1.020 1026 R HN 0.435 nan 8.270 nan 0.000 0.475 1027 P HA -0.176 nan 4.420 nan 0.000 0.217 1027 P C 0.093 177.402 177.300 0.014 0.000 1.148 1027 P CA 1.380 64.568 63.100 0.146 0.000 0.828 1027 P CB 0.251 31.994 31.700 0.072 0.000 0.783 1028 E N -0.993 119.189 120.200 -0.031 0.000 2.274 1028 E HA -0.090 4.257 4.350 -0.006 0.000 0.194 1028 E C 1.023 177.500 176.600 -0.205 0.000 0.996 1028 E CA 0.780 57.083 56.400 -0.162 0.000 0.840 1028 E CB -0.916 28.703 29.700 -0.135 0.000 0.772 1028 E HN 0.453 nan 8.360 nan 0.000 0.491 1029 N N 0.572 119.186 118.700 -0.143 0.000 2.383 1029 N HA -0.003 4.734 4.740 -0.006 0.000 0.192 1029 N C 0.135 175.613 175.510 -0.052 0.000 1.141 1029 N CA 0.370 53.285 53.050 -0.225 0.000 0.851 1029 N CB 0.346 38.424 38.487 -0.680 0.000 0.976 1029 N HN 0.170 nan 8.380 nan 0.000 0.465 1030 T N -2.264 112.217 114.554 -0.122 0.000 2.892 1030 T HA 0.059 4.405 4.350 -0.006 0.000 0.280 1030 T C 1.445 176.075 174.700 -0.117 0.000 1.004 1030 T CA -0.655 61.292 62.100 -0.254 0.000 0.950 1030 T CB 0.659 69.014 68.868 -0.855 0.000 1.309 1030 T HN 0.180 nan 8.240 nan 0.000 0.592 1031 H N -0.393 118.684 119.070 0.012 0.000 2.524 1031 H HA 0.135 4.687 4.556 -0.006 0.000 0.282 1031 H C 1.989 177.314 175.328 -0.004 0.000 1.016 1031 H CA 0.640 56.704 56.048 0.027 0.000 1.270 1031 H CB -0.193 29.602 29.762 0.055 0.000 1.394 1031 H HN 0.473 nan 8.280 nan 0.000 0.568 1032 R N 1.024 121.290 120.500 -0.389 0.000 2.152 1032 R HA -0.092 4.245 4.340 -0.006 0.000 0.232 1032 R C 0.978 177.188 176.300 -0.150 0.000 1.117 1032 R CA 0.851 56.823 56.100 -0.214 0.000 0.981 1032 R CB -0.032 30.131 30.300 -0.228 0.000 0.870 1032 R HN 0.353 nan 8.270 nan 0.000 0.451 1033 S N -2.719 112.868 115.700 -0.189 0.000 3.330 1033 S HA -0.318 4.149 4.470 -0.006 0.000 0.630 1033 S C 0.793 175.200 174.600 -0.322 0.000 2.776 1033 S CA 0.987 59.017 58.200 -0.283 0.000 3.494 1033 S CB -1.329 61.771 63.200 -0.168 0.000 0.291 1033 S HN 0.323 nan 8.310 nan 0.000 1.451 1034 Y N 1.176 121.424 120.300 -0.088 0.000 2.153 1034 Y HA 0.081 4.628 4.550 -0.005 0.000 0.289 1034 Y C 2.861 178.390 175.900 -0.618 0.000 1.119 1034 Y CA 1.792 59.796 58.100 -0.160 0.000 1.116 1034 Y CB -1.403 37.071 38.460 0.023 0.000 1.004 1034 Y HN 0.823 nan 8.280 nan 0.000 0.501 1035 N N 0.581 119.063 118.700 -0.364 0.000 2.661 1035 N HA -0.030 4.707 4.740 -0.006 0.000 0.196 1035 N C 1.640 176.815 175.510 -0.560 0.000 1.129 1035 N CA 1.258 53.932 53.050 -0.627 0.000 0.938 1035 N CB -1.010 37.406 38.487 -0.117 0.000 0.966 1035 N HN 0.470 nan 8.380 nan 0.000 0.450 1036 G N -3.592 104.966 108.800 -0.404 0.000 4.299 1036 G HA2 0.512 4.469 3.960 -0.006 0.000 0.290 1036 G HA3 0.512 4.469 3.960 -0.006 0.000 0.290 1036 G C 0.541 175.371 174.900 -0.117 0.000 1.019 1036 G CA 1.103 46.092 45.100 -0.185 0.000 0.790 1036 G HN 0.872 nan 8.290 nan 0.000 0.452 1037 S N -0.207 115.391 115.700 -0.169 0.000 2.855 1037 S HA 0.444 4.911 4.470 -0.006 0.000 0.249 1037 S C 1.027 175.707 174.600 0.132 0.000 1.033 1037 S CA -0.527 57.676 58.200 0.005 0.000 1.038 1037 S CB -0.280 62.928 63.200 0.014 0.000 0.960 1037 S HN 0.333 nan 8.310 nan 0.000 0.548 1038 Y N 0.330 120.668 120.300 0.064 0.000 2.220 1038 Y HA -0.095 4.452 4.550 -0.005 0.000 0.291 1038 Y C 2.297 178.124 175.900 -0.123 0.000 1.129 1038 Y CA 0.718 58.771 58.100 -0.078 0.000 1.161 1038 Y CB 0.110 38.413 38.460 -0.262 0.000 0.997 1038 Y HN 0.517 nan 8.280 nan 0.000 0.522 1039 H N -0.515 118.700 119.070 0.241 0.000 2.553 1039 H HA 0.048 4.600 4.556 -0.006 0.000 0.265 1039 H C 1.086 176.510 175.328 0.161 0.000 0.964 1039 H CA 0.798 56.953 56.048 0.177 0.000 1.156 1039 H CB -0.074 29.763 29.762 0.126 0.000 1.411 1039 H HN 0.234 nan 8.280 nan 0.000 0.558 1040 T N -0.220 114.475 114.554 0.235 0.000 2.788 1040 T HA 0.057 4.404 4.350 -0.006 0.000 0.287 1040 T C 0.220 175.030 174.700 0.183 0.000 1.007 1040 T CA -0.857 61.342 62.100 0.164 0.000 1.005 1040 T CB 1.315 70.226 68.868 0.072 0.000 1.012 1040 T HN -0.083 nan 8.240 nan 0.000 0.530 1041 D N 0.780 121.279 120.400 0.166 0.000 2.351 1041 D HA 0.152 4.789 4.640 -0.006 0.000 0.251 1041 D C 1.594 177.816 176.300 -0.130 0.000 1.137 1041 D CA -0.610 53.482 54.000 0.153 0.000 0.879 1041 D CB 0.709 41.700 40.800 0.318 0.000 1.181 1041 D HN 0.680 nan 8.370 nan 0.000 0.448 1042 I N 0.432 120.698 120.570 -0.506 0.000 2.530 1042 I HA -0.234 3.932 4.170 -0.006 0.000 0.257 1042 I C 1.024 176.976 176.117 -0.274 0.000 1.179 1042 I CA 1.093 62.098 61.300 -0.491 0.000 1.440 1042 I CB -0.257 37.178 38.000 -0.942 0.000 1.087 1042 I HN 0.141 nan 8.210 nan 0.000 0.440 1043 N N 0.997 119.501 118.700 -0.326 0.000 2.276 1043 N HA 0.136 4.872 4.740 -0.006 0.000 0.212 1043 N C 0.177 175.657 175.510 -0.049 0.000 1.127 1043 N CA -0.107 52.868 53.050 -0.124 0.000 0.834 1043 N CB 0.066 38.400 38.487 -0.254 0.000 1.014 1043 N HN 0.449 nan 8.380 nan 0.000 0.491 1044 M N 1.162 120.625 119.600 -0.229 0.000 2.233 1044 M HA 0.387 4.863 4.480 -0.006 0.000 0.355 1044 M C -1.337 174.769 176.300 -0.323 0.000 1.191 1044 M CA -0.452 54.486 55.300 -0.602 0.000 1.101 1044 M CB 1.095 33.330 32.600 -0.607 0.000 1.592 1044 M HN -0.010 nan 8.290 nan 0.000 0.461 1045 L N 3.754 124.776 121.223 -0.336 0.000 2.371 1045 L HA 0.485 4.822 4.340 -0.006 0.000 0.262 1045 L C -1.605 175.216 176.870 -0.082 0.000 1.006 1045 L CA -0.967 53.779 54.840 -0.157 0.000 0.818 1045 L CB 2.200 44.144 42.059 -0.193 0.000 1.354 1045 L HN 0.553 nan 8.230 nan 0.000 0.415 1046 Y N 0.768 121.238 120.300 0.282 0.000 2.320 1046 Y HA 0.217 4.763 4.550 -0.006 0.000 0.334 1046 Y C -0.068 176.185 175.900 0.588 0.000 1.055 1046 Y CA -0.355 57.998 58.100 0.422 0.000 1.143 1046 Y CB 1.232 39.885 38.460 0.322 0.000 1.193 1046 Y HN 0.480 nan 8.280 nan 0.000 0.477 1047 W N 4.233 125.868 121.300 0.558 0.000 2.184 1047 W HA 0.489 5.146 4.660 -0.006 0.000 0.338 1047 W C -0.680 176.004 176.519 0.274 0.000 1.257 1047 W CA -0.234 57.290 57.345 0.297 0.000 1.243 1047 W CB 1.502 30.968 29.460 0.009 0.000 1.122 1047 W HN 0.615 nan 8.180 nan 0.000 0.585 1048 S N 2.583 118.011 115.700 -0.453 0.000 2.607 1048 S HA 0.256 4.722 4.470 -0.006 0.000 0.273 1048 S C -0.306 174.029 174.600 -0.442 0.000 1.148 1048 S CA -0.765 57.359 58.200 -0.126 0.000 0.833 1048 S CB 2.166 65.537 63.200 0.285 0.000 1.130 1048 S HN 0.534 nan 8.310 nan 0.000 0.470 1049 D N 0.598 120.999 120.400 0.002 0.000 2.360 1049 D HA 0.077 4.714 4.640 -0.006 0.000 0.210 1049 D C -0.381 175.954 176.300 0.057 0.000 1.047 1049 D CA 0.271 54.348 54.000 0.128 0.000 0.854 1049 D CB 0.241 41.207 40.800 0.276 0.000 0.936 1049 D HN 0.676 nan 8.370 nan 0.000 0.514 1050 E N 2.565 122.762 120.200 -0.004 0.000 2.603 1050 E HA -0.028 4.318 4.350 -0.006 0.000 0.242 1050 E C 0.136 176.617 176.600 -0.198 0.000 1.083 1050 E CA 0.511 56.875 56.400 -0.059 0.000 0.950 1050 E CB 0.345 30.049 29.700 0.006 0.000 0.952 1050 E HN 0.260 nan 8.360 nan 0.000 0.498 1051 E N 1.406 121.480 120.200 -0.211 0.000 2.349 1051 E HA 0.528 4.875 4.350 -0.006 0.000 0.262 1051 E C -0.466 175.924 176.600 -0.350 0.000 1.088 1051 E CA -0.632 55.569 56.400 -0.333 0.000 0.899 1051 E CB 1.388 30.906 29.700 -0.303 0.000 1.044 1051 E HN 0.495 nan 8.360 nan 0.000 0.420 1052 A N 1.367 123.939 122.820 -0.412 0.000 2.540 1052 A HA 0.418 4.735 4.320 -0.006 0.000 0.297 1052 A C -1.043 176.370 177.584 -0.284 0.000 1.056 1052 A CA -0.700 51.111 52.037 -0.377 0.000 0.700 1052 A CB 1.289 19.915 19.000 -0.625 0.000 1.280 1052 A HN 0.292 nan 8.150 nan 0.000 0.398 1053 V N 1.628 121.437 119.914 -0.175 0.000 2.481 1053 V HA 0.799 4.915 4.120 -0.006 0.000 0.286 1053 V C 0.585 176.630 176.094 -0.081 0.000 1.042 1053 V CA 0.299 62.525 62.300 -0.125 0.000 0.928 1053 V CB 1.054 32.836 31.823 -0.069 0.000 0.986 1053 V HN 1.473 nan 8.190 nan 0.000 0.462 1054 V N 3.294 123.163 119.914 -0.076 0.000 3.160 1054 V HA 0.634 4.750 4.120 -0.006 0.000 0.310 1054 V C -0.441 175.624 176.094 -0.049 0.000 1.181 1054 V CA -1.210 61.069 62.300 -0.036 0.000 1.047 1054 V CB 2.234 34.060 31.823 0.005 0.000 1.068 1054 V HN 0.738 nan 8.190 nan 0.000 0.441 1055 N N 1.107 119.784 118.700 -0.038 0.000 2.425 1055 N HA 0.296 5.033 4.740 -0.006 0.000 0.268 1055 N C 0.308 175.805 175.510 -0.022 0.000 0.991 1055 N CA -0.175 52.856 53.050 -0.031 0.000 0.931 1055 N CB 1.606 40.070 38.487 -0.039 0.000 1.130 1055 N HN 0.809 nan 8.380 nan 0.000 0.493 1056 F N 3.199 123.053 119.950 -0.159 0.000 2.373 1056 F HA -0.212 4.312 4.527 -0.006 0.000 0.300 1056 F C 2.292 177.991 175.800 -0.168 0.000 1.080 1056 F CA 1.183 59.065 58.000 -0.197 0.000 1.417 1056 F CB 0.317 39.183 39.000 -0.223 0.000 1.070 1056 F HN 0.526 nan 8.300 nan 0.000 0.546 1057 S N -1.199 114.354 115.700 -0.244 0.000 2.447 1057 S HA -0.169 4.298 4.470 -0.006 0.000 0.233 1057 S C 1.304 175.723 174.600 -0.302 0.000 1.006 1057 S CA 1.325 59.344 58.200 -0.302 0.000 0.957 1057 S CB -0.354 62.757 63.200 -0.149 0.000 0.773 1057 S HN 0.381 nan 8.310 nan 0.000 0.507 1058 D N 0.947 121.200 120.400 -0.244 0.000 2.350 1058 D HA 0.241 4.877 4.640 -0.006 0.000 0.213 1058 D C 0.028 176.189 176.300 -0.233 0.000 1.031 1058 D CA -0.062 53.818 54.000 -0.200 0.000 0.861 1058 D CB 0.092 40.810 40.800 -0.137 0.000 0.926 1058 D HN 0.197 nan 8.370 nan 0.000 0.520 1059 V N 1.932 121.662 119.914 -0.307 0.000 2.617 1059 V HA -0.084 4.033 4.120 -0.006 0.000 0.304 1059 V C 1.292 177.254 176.094 -0.221 0.000 1.040 1059 V CA 0.580 62.726 62.300 -0.256 0.000 1.149 1059 V CB 1.293 32.910 31.823 -0.343 0.000 0.914 1059 V HN 0.119 nan 8.190 nan 0.000 0.487 1060 Q N 3.100 122.793 119.800 -0.178 0.000 2.373 1060 Q HA 0.301 4.638 4.340 -0.006 0.000 0.210 1060 Q C 0.785 176.818 176.000 0.055 0.000 0.913 1060 Q CA 0.915 56.611 55.803 -0.178 0.000 0.911 1060 Q CB 1.151 29.535 28.738 -0.589 0.000 1.040 1060 Q HN 0.984 nan 8.270 nan 0.000 0.521 1061 G N -0.089 108.836 108.800 0.208 0.000 2.328 1061 G HA2 0.242 4.199 3.960 -0.006 0.000 0.295 1061 G HA3 0.242 4.199 3.960 -0.006 0.000 0.295 1061 G C -1.566 173.486 174.900 0.254 0.000 1.413 1061 G CA -0.957 44.328 45.100 0.309 0.000 0.817 1061 G HN -0.039 nan 8.290 nan 0.000 0.546 1062 R N -1.077 119.444 120.500 0.035 0.000 2.560 1062 R HA 0.685 5.022 4.340 -0.006 0.000 0.270 1062 R C -0.008 176.120 176.300 -0.286 0.000 1.074 1062 R CA 0.299 56.301 56.100 -0.164 0.000 1.140 1062 R CB 0.891 30.948 30.300 -0.404 0.000 1.073 1062 R HN 1.219 nan 8.270 nan 0.000 0.527 1063 C N -0.567 118.549 119.300 -0.306 0.000 3.288 1063 C HA 0.638 5.095 4.460 -0.006 0.000 0.318 1063 C C -0.794 174.178 174.990 -0.030 0.000 1.356 1063 C CA -0.724 58.127 59.018 -0.277 0.000 1.359 1063 C CB 1.647 28.952 27.740 -0.725 0.000 1.688 1063 C HN 0.706 nan 8.230 nan 0.000 0.467 1064 T N 2.231 116.862 114.554 0.128 0.000 2.772 1064 T HA 0.612 4.959 4.350 -0.006 0.000 0.288 1064 T C -0.194 174.714 174.700 0.347 0.000 0.994 1064 T CA -0.262 61.970 62.100 0.221 0.000 0.951 1064 T CB 0.972 69.982 68.868 0.236 0.000 0.933 1064 T HN 1.641 nan 8.240 nan 0.000 0.447 1065 V N 1.417 121.519 119.914 0.313 0.000 2.495 1065 V HA 0.816 4.933 4.120 -0.006 0.000 0.298 1065 V C -0.740 175.631 176.094 0.462 0.000 1.031 1065 V CA -0.718 61.801 62.300 0.365 0.000 0.871 1065 V CB 2.004 33.874 31.823 0.079 0.000 0.988 1065 V HN 0.633 nan 8.190 nan 0.000 0.432 1066 E N 3.200 123.671 120.200 0.452 0.000 2.288 1066 E HA 0.321 4.667 4.350 -0.006 0.000 0.268 1066 E C -1.545 175.103 176.600 0.080 0.000 0.885 1066 E CA -0.597 55.959 56.400 0.259 0.000 0.767 1066 E CB 2.730 32.372 29.700 -0.097 0.000 1.220 1066 E HN 0.925 nan 8.360 nan 0.000 0.427 1067 Y N 1.251 121.357 120.300 -0.323 0.000 2.496 1067 Y HA 0.146 4.693 4.550 -0.005 0.000 0.334 1067 Y C 1.480 177.119 175.900 -0.436 0.000 1.080 1067 Y CA 0.129 57.734 58.100 -0.825 0.000 1.355 1067 Y CB 0.810 38.921 38.460 -0.582 0.000 1.193 1067 Y HN 0.753 nan 8.280 nan 0.000 0.523 1068 G N 4.602 113.026 108.800 -0.627 0.000 2.514 1068 G HA2 -0.304 3.652 3.960 -0.006 0.000 0.217 1068 G HA3 -0.304 3.652 3.960 -0.006 0.000 0.217 1068 G C 1.238 175.762 174.900 -0.627 0.000 1.198 1068 G CA 1.040 45.818 45.100 -0.536 0.000 0.780 1068 G HN 0.731 nan 8.290 nan 0.000 0.565 1069 E N 0.834 120.468 120.200 -0.943 0.000 2.147 1069 E HA -0.165 4.181 4.350 -0.006 0.000 0.199 1069 E C 2.018 178.359 176.600 -0.433 0.000 1.005 1069 E CA 1.327 57.319 56.400 -0.680 0.000 0.810 1069 E CB -0.424 28.806 29.700 -0.784 0.000 0.736 1069 E HN 0.362 nan 8.360 nan 0.000 0.460 1070 D N -0.067 120.078 120.400 -0.424 0.000 2.348 1070 D HA 0.015 4.651 4.640 -0.006 0.000 0.216 1070 D C 0.345 176.559 176.300 -0.144 0.000 0.970 1070 D CA 0.148 54.066 54.000 -0.135 0.000 0.889 1070 D CB 0.061 40.884 40.800 0.038 0.000 0.912 1070 D HN 0.071 nan 8.370 nan 0.000 0.524 1071 L N 0.294 121.382 121.223 -0.226 0.000 2.426 1071 L HA 0.194 4.530 4.340 -0.006 0.000 0.271 1071 L C 1.547 178.340 176.870 -0.129 0.000 1.169 1071 L CA -0.395 54.325 54.840 -0.200 0.000 0.836 1071 L CB 0.954 42.835 42.059 -0.297 0.000 1.112 1071 L HN -0.033 nan 8.230 nan 0.000 0.465 1072 L N 2.490 123.665 121.223 -0.080 0.000 2.653 1072 L HA 0.304 4.641 4.340 -0.006 0.000 0.231 1072 L C 0.652 177.501 176.870 -0.036 0.000 1.153 1072 L CA 0.383 55.194 54.840 -0.048 0.000 0.933 1072 L CB -1.321 40.724 42.059 -0.023 0.000 1.175 1072 L HN 0.868 nan 8.230 nan 0.000 0.473 1073 E N -2.078 118.096 120.200 -0.044 0.000 2.446 1073 E HA 0.801 5.147 4.350 -0.006 0.000 0.269 1073 E C 0.097 176.668 176.600 -0.048 0.000 0.977 1073 E CA -0.271 56.115 56.400 -0.024 0.000 0.854 1073 E CB 0.771 30.483 29.700 0.020 0.000 1.545 1073 E HN 0.307 nan 8.360 nan 0.000 0.448 1074 S N 0.313 115.995 115.700 -0.030 0.000 2.585 1074 S HA 0.246 4.713 4.470 -0.006 0.000 0.273 1074 S C 1.046 175.615 174.600 -0.051 0.000 1.339 1074 S CA -0.507 57.661 58.200 -0.054 0.000 1.028 1074 S CB -0.172 63.005 63.200 -0.039 0.000 0.906 1074 S HN 0.507 nan 8.310 nan 0.000 0.528 1075 I N 1.683 122.176 120.570 -0.129 0.000 2.118 1075 I HA -0.328 3.839 4.170 -0.006 0.000 0.241 1075 I C 3.319 179.423 176.117 -0.022 0.000 1.070 1075 I CA 2.280 63.472 61.300 -0.179 0.000 1.327 1075 I CB -0.607 37.150 38.000 -0.405 0.000 1.034 1075 I HN 0.870 nan 8.210 nan 0.000 0.405 1076 Q N -0.007 119.771 119.800 -0.037 0.000 2.167 1076 Q HA -0.254 4.082 4.340 -0.006 0.000 0.202 1076 Q C 1.784 177.790 176.000 0.010 0.000 0.970 1076 Q CA 1.936 57.738 55.803 -0.001 0.000 0.855 1076 Q CB -0.828 27.893 28.738 -0.028 0.000 0.911 1076 Q HN 0.506 nan 8.270 nan 0.000 0.438 1077 D N -1.073 119.335 120.400 0.013 0.000 2.117 1077 D HA -0.112 4.525 4.640 -0.006 0.000 0.197 1077 D C 1.703 178.035 176.300 0.053 0.000 0.987 1077 D CA 1.581 55.594 54.000 0.020 0.000 0.829 1077 D CB -0.396 40.415 40.800 0.019 0.000 0.961 1077 D HN 0.750 nan 8.370 nan 0.000 0.460 1078 Y N 1.641 121.917 120.300 -0.040 0.000 2.163 1078 Y HA -0.197 4.349 4.550 -0.006 0.000 0.288 1078 Y C 2.385 178.289 175.900 0.007 0.000 1.136 1078 Y CA 1.793 59.881 58.100 -0.019 0.000 1.147 1078 Y CB -0.330 38.108 38.460 -0.035 0.000 0.987 1078 Y HN -0.175 nan 8.280 nan 0.000 0.509 1079 S N 0.764 116.404 115.700 -0.099 0.000 2.377 1079 S HA -0.352 4.114 4.470 -0.006 0.000 0.224 1079 S C 1.786 176.295 174.600 -0.152 0.000 1.042 1079 S CA 2.096 60.200 58.200 -0.161 0.000 1.086 1079 S CB -0.624 62.615 63.200 0.065 0.000 0.995 1079 S HN 0.635 nan 8.310 nan 0.000 0.428 1080 Q N 0.388 120.151 119.800 -0.061 0.000 2.226 1080 Q HA -0.033 4.304 4.340 -0.006 0.000 0.204 1080 Q C 2.412 178.374 176.000 -0.063 0.000 0.975 1080 Q CA 1.011 56.789 55.803 -0.041 0.000 0.866 1080 Q CB -0.561 28.159 28.738 -0.030 0.000 0.915 1080 Q HN 0.654 nan 8.270 nan 0.000 0.440 1081 G N 0.480 109.222 108.800 -0.096 0.000 2.469 1081 G HA2 -0.061 3.896 3.960 -0.006 0.000 0.220 1081 G HA3 -0.061 3.896 3.960 -0.006 0.000 0.220 1081 G C 0.561 175.421 174.900 -0.067 0.000 1.136 1081 G CA 0.851 45.907 45.100 -0.074 0.000 0.759 1081 G HN 0.463 nan 8.290 nan 0.000 0.562 1082 G N -1.278 107.461 108.800 -0.101 0.000 2.660 1082 G HA2 0.583 4.540 3.960 -0.006 0.000 0.290 1082 G HA3 0.583 4.540 3.960 -0.006 0.000 0.290 1082 G C -3.236 171.641 174.900 -0.039 0.000 1.432 1082 G CA -0.747 44.320 45.100 -0.054 0.000 0.807 1082 G HN 0.049 nan 8.290 nan 0.000 0.485 1083 P HA 0.286 nan 4.420 nan 0.000 0.274 1083 P C -0.939 176.413 177.300 0.086 0.000 1.231 1083 P CA 0.107 63.250 63.100 0.071 0.000 0.790 1083 P CB 0.732 32.486 31.700 0.090 0.000 0.951 1084 D N 0.104 120.592 120.400 0.146 0.000 2.746 1084 D HA -0.164 4.473 4.640 -0.006 0.000 0.241 1084 D C -0.444 175.953 176.300 0.160 0.000 1.140 1084 D CA 0.905 55.040 54.000 0.226 0.000 0.707 1084 D CB -1.219 39.733 40.800 0.253 0.000 1.034 1084 D HN 0.535 nan 8.370 nan 0.000 0.423 1085 R N 0.594 121.075 120.500 -0.031 0.000 2.422 1085 R HA 0.502 4.839 4.340 -0.006 0.000 0.307 1085 R C -0.184 176.097 176.300 -0.032 0.000 1.004 1085 R CA -0.467 55.619 56.100 -0.024 0.000 0.882 1085 R CB 0.963 31.032 30.300 -0.386 0.000 1.164 1085 R HN -0.055 nan 8.270 nan 0.000 0.489 1086 F N 2.162 122.281 119.950 0.281 0.000 2.497 1086 F HA 0.556 5.080 4.527 -0.005 0.000 0.331 1086 F C 0.001 176.048 175.800 0.411 0.000 1.060 1086 F CA -1.085 57.077 58.000 0.270 0.000 0.989 1086 F CB 1.262 40.305 39.000 0.072 0.000 1.245 1086 F HN 0.359 nan 8.300 nan 0.000 0.486 1087 Y N 0.403 120.940 120.300 0.395 0.000 2.581 1087 Y HA 0.699 5.245 4.550 -0.006 0.000 0.337 1087 Y C -1.855 174.234 175.900 0.314 0.000 1.108 1087 Y CA -2.496 55.779 58.100 0.291 0.000 1.033 1087 Y CB 1.170 39.709 38.460 0.131 0.000 1.318 1087 Y HN 0.537 nan 8.280 nan 0.000 0.459 1088 F N 1.575 121.633 119.950 0.179 0.000 2.576 1088 F HA 0.789 5.313 4.527 -0.006 0.000 0.313 1088 F C -0.974 175.043 175.800 0.362 0.000 1.078 1088 F CA -1.112 56.979 58.000 0.152 0.000 0.921 1088 F CB 1.817 40.990 39.000 0.289 0.000 1.232 1088 F HN 0.584 nan 8.300 nan 0.000 0.459 1089 L N 0.014 121.423 121.223 0.309 0.000 2.519 1089 L HA 0.355 4.692 4.340 -0.006 0.000 0.194 1089 L C 0.390 177.516 176.870 0.426 0.000 1.072 1089 L CA 0.101 55.098 54.840 0.261 0.000 0.845 1089 L CB 0.263 42.431 42.059 0.181 0.000 1.138 1089 L HN 0.674 nan 8.230 nan 0.000 0.487 1090 E N -0.132 120.365 120.200 0.494 0.000 2.254 1090 E HA 0.644 4.991 4.350 -0.006 0.000 0.258 1090 E C -0.723 176.300 176.600 0.706 0.000 1.033 1090 E CA -0.604 56.124 56.400 0.547 0.000 0.893 1090 E CB 1.693 31.724 29.700 0.551 0.000 1.204 1090 E HN 0.171 nan 8.360 nan 0.000 0.425 1091 A N 0.600 123.765 122.820 0.576 0.000 2.386 1091 A HA 0.511 4.828 4.320 -0.006 0.000 0.308 1091 A C -1.788 176.078 177.584 0.470 0.000 1.128 1091 A CA -0.467 51.932 52.037 0.603 0.000 0.789 1091 A CB 0.825 20.123 19.000 0.496 0.000 1.325 1091 A HN 0.536 nan 8.150 nan 0.000 0.437 1092 Y N 1.380 121.781 120.300 0.167 0.000 2.387 1092 Y HA 0.508 5.055 4.550 -0.005 0.000 0.336 1092 Y C -0.270 175.500 175.900 -0.218 0.000 1.067 1092 Y CA -1.373 56.585 58.100 -0.236 0.000 1.114 1092 Y CB 1.527 39.675 38.460 -0.519 0.000 1.208 1092 Y HN 0.640 nan 8.280 nan 0.000 0.458 1093 N N 2.409 120.652 118.700 -0.760 0.000 2.682 1093 N HA 0.087 4.824 4.740 -0.006 0.000 0.252 1093 N C 0.026 174.951 175.510 -0.974 0.000 1.081 1093 N CA 0.165 52.845 53.050 -0.618 0.000 0.844 1093 N CB 0.983 39.270 38.487 -0.333 0.000 1.167 1093 N HN 0.699 nan 8.380 nan 0.000 0.523 1094 S N 1.106 116.240 115.700 -0.942 0.000 2.481 1094 S HA -0.077 4.390 4.470 -0.006 0.000 0.231 1094 S C 2.020 176.410 174.600 -0.350 0.000 0.996 1094 S CA 1.020 58.771 58.200 -0.749 0.000 0.942 1094 S CB -0.096 62.886 63.200 -0.363 0.000 0.768 1094 S HN 0.537 nan 8.310 nan 0.000 0.520 1095 K N 1.539 121.777 120.400 -0.270 0.000 2.217 1095 K HA 0.020 4.337 4.320 -0.006 0.000 0.202 1095 K C 2.228 178.725 176.600 -0.173 0.000 1.051 1095 K CA 1.680 57.869 56.287 -0.163 0.000 0.952 1095 K CB -1.395 31.037 32.500 -0.114 0.000 0.736 1095 K HN 0.758 nan 8.250 nan 0.000 0.453 1096 T N -5.291 109.121 114.554 -0.237 0.000 2.959 1096 T HA 0.334 4.681 4.350 -0.006 0.000 0.254 1096 T C 1.328 175.887 174.700 -0.235 0.000 1.003 1096 T CA 1.658 63.639 62.100 -0.197 0.000 0.950 1096 T CB 0.105 68.878 68.868 -0.159 0.000 1.090 1096 T HN 1.261 nan 8.240 nan 0.000 0.503 1097 K N 0.471 120.664 120.400 -0.346 0.000 3.230 1097 K HA -0.137 4.180 4.320 -0.006 0.000 0.285 1097 K C -0.168 176.334 176.600 -0.163 0.000 1.196 1097 K CA 1.229 57.345 56.287 -0.285 0.000 0.838 1097 K CB -3.042 29.217 32.500 -0.401 0.000 1.262 1097 K HN 0.685 nan 8.250 nan 0.000 0.492 1098 N N -1.110 117.430 118.700 -0.267 0.000 2.272 1098 N HA 0.814 5.550 4.740 -0.006 0.000 0.305 1098 N C -0.794 174.574 175.510 -0.237 0.000 1.103 1098 N CA -0.715 52.247 53.050 -0.146 0.000 0.791 1098 N CB 0.925 39.380 38.487 -0.053 0.000 1.356 1098 N HN 0.207 nan 8.380 nan 0.000 0.486 1099 F N 0.786 120.782 119.950 0.077 0.000 2.399 1099 F HA 0.386 4.910 4.527 -0.005 0.000 0.334 1099 F C 0.854 176.704 175.800 0.083 0.000 1.097 1099 F CA -0.462 57.582 58.000 0.074 0.000 1.076 1099 F CB 1.250 40.254 39.000 0.006 0.000 1.162 1099 F HN 0.386 nan 8.300 nan 0.000 0.495 1100 E N -0.920 119.453 120.200 0.288 0.000 2.407 1100 E HA 0.493 4.839 4.350 -0.006 0.000 0.279 1100 E C -1.381 175.337 176.600 0.197 0.000 1.012 1100 E CA -1.144 55.371 56.400 0.192 0.000 0.800 1100 E CB 1.094 30.860 29.700 0.110 0.000 1.276 1100 E HN 0.541 nan 8.360 nan 0.000 0.452 1101 D N 1.740 122.225 120.400 0.141 0.000 2.506 1101 D HA 0.219 4.856 4.640 -0.006 0.000 0.234 1101 D C -2.272 174.048 176.300 0.033 0.000 1.143 1101 D CA -0.584 53.483 54.000 0.113 0.000 0.871 1101 D CB -0.384 40.461 40.800 0.074 0.000 1.190 1101 D HN 0.257 nan 8.370 nan 0.000 0.459 1102 P HA 0.296 nan 4.420 nan 0.000 0.271 1102 P C -2.431 174.616 177.300 -0.421 0.000 1.218 1102 P CA -0.874 62.062 63.100 -0.274 0.000 0.780 1102 P CB 0.226 31.696 31.700 -0.385 0.000 0.901 1103 P HA 0.055 nan 4.420 nan 0.000 0.269 1103 P C 1.263 178.163 177.300 -0.666 0.000 1.209 1103 P CA 0.266 62.996 63.100 -0.616 0.000 0.776 1103 P CB -0.027 31.077 31.700 -0.993 0.000 0.876 1104 N N 1.241 119.698 118.700 -0.405 0.000 2.205 1104 N HA -0.243 4.493 4.740 -0.006 0.000 0.186 1104 N C 1.444 176.801 175.510 -0.255 0.000 1.015 1104 N CA 2.093 54.981 53.050 -0.270 0.000 0.862 1104 N CB -1.593 36.823 38.487 -0.118 0.000 0.986 1104 N HN 0.801 nan 8.380 nan 0.000 0.429 1105 H N -2.567 116.399 119.070 -0.173 0.000 2.546 1105 H HA 0.536 5.088 4.556 -0.006 0.000 0.277 1105 H C 1.690 176.857 175.328 -0.268 0.000 1.004 1105 H CA 0.734 56.698 56.048 -0.141 0.000 1.231 1105 H CB -0.167 29.560 29.762 -0.059 0.000 1.382 1105 H HN 0.499 nan 8.280 nan 0.000 0.580 1106 A N 0.682 123.064 122.820 -0.730 0.000 2.370 1106 A HA 0.267 4.584 4.320 -0.006 0.000 0.238 1106 A C 0.595 177.844 177.584 -0.558 0.000 1.289 1106 A CA -0.517 50.879 52.037 -1.067 0.000 0.885 1106 A CB -0.185 17.559 19.000 -2.093 0.000 0.961 1106 A HN 0.341 nan 8.150 nan 0.000 0.499 1107 R N -1.094 119.223 120.500 -0.305 0.000 2.902 1107 R HA 0.693 5.030 4.340 -0.006 0.000 0.258 1107 R C 0.592 176.900 176.300 0.014 0.000 1.071 1107 R CA 0.074 56.091 56.100 -0.138 0.000 1.024 1107 R CB 0.912 31.107 30.300 -0.175 0.000 1.184 1107 R HN 0.281 nan 8.270 nan 0.000 0.492 1108 S N 1.307 117.054 115.700 0.077 0.000 2.617 1108 S HA 0.105 4.572 4.470 -0.006 0.000 0.255 1108 S C -1.361 173.276 174.600 0.061 0.000 1.318 1108 S CA -0.924 57.331 58.200 0.092 0.000 0.978 1108 S CB -0.439 62.819 63.200 0.097 0.000 0.961 1108 S HN 0.315 nan 8.310 nan 0.000 0.582 1109 P HA -0.067 nan 4.420 nan 0.000 0.219 1109 P C 0.760 178.082 177.300 0.036 0.000 1.151 1109 P CA 1.602 64.732 63.100 0.050 0.000 0.850 1109 P CB -0.226 31.504 31.700 0.050 0.000 0.784 1110 G N -2.743 106.078 108.800 0.034 0.000 2.461 1110 G HA2 0.582 4.539 3.960 -0.006 0.000 0.329 1110 G HA3 0.582 4.539 3.960 -0.006 0.000 0.329 1110 G C -0.437 174.477 174.900 0.022 0.000 1.170 1110 G CA 0.267 45.382 45.100 0.025 0.000 0.935 1110 G HN 0.420 nan 8.290 nan 0.000 0.492 1111 N N -2.108 116.601 118.700 0.015 0.000 3.278 1111 N HA 0.962 5.699 4.740 -0.006 0.000 0.307 1111 N C 0.372 175.891 175.510 0.015 0.000 1.551 1111 N CA 0.950 54.007 53.050 0.011 0.000 0.794 1111 N CB 0.321 38.800 38.487 -0.014 0.000 1.770 1111 N HN 2.036 nan 8.380 nan 0.000 0.612 1139 L N 2.112 123.341 121.223 0.010 0.000 2.265 1139 L HA 0.765 5.102 4.340 -0.006 0.000 0.289 1139 L C -1.966 174.914 176.870 0.016 0.000 1.033 1139 L CA -1.764 53.083 54.840 0.013 0.000 0.814 1139 L CB 0.223 42.283 42.059 0.003 0.000 1.203 1139 L HN 0.627 nan 8.230 nan 0.000 0.423 1140 P HA 0.198 nan 4.420 nan 0.000 0.263 1140 P C -0.190 177.133 177.300 0.039 0.000 1.175 1140 P CA 0.112 63.234 63.100 0.037 0.000 0.761 1140 P CB 0.412 32.142 31.700 0.051 0.000 0.794 1141 K N 1.655 122.080 120.400 0.041 0.000 2.107 1141 K HA 0.387 4.704 4.320 -0.006 0.000 0.251 1141 K C -0.045 176.603 176.600 0.081 0.000 1.012 1141 K CA -0.676 55.641 56.287 0.049 0.000 0.920 1141 K CB 0.474 33.004 32.500 0.049 0.000 1.033 1141 K HN 0.371 nan 8.250 nan 0.000 0.478 1142 L N 2.538 123.820 121.223 0.097 0.000 2.275 1142 L HA 0.320 4.657 4.340 -0.006 0.000 0.288 1142 L C 0.183 177.162 176.870 0.181 0.000 1.046 1142 L CA -0.622 54.310 54.840 0.153 0.000 0.805 1142 L CB 1.121 43.278 42.059 0.163 0.000 1.193 1142 L HN 0.427 nan 8.230 nan 0.000 0.426 1143 R N 2.336 122.961 120.500 0.209 0.000 2.446 1143 R HA 0.115 4.452 4.340 -0.006 0.000 0.325 1143 R C -0.469 176.047 176.300 0.360 0.000 0.997 1143 R CA 0.100 56.346 56.100 0.244 0.000 1.010 1143 R CB -0.125 30.378 30.300 0.338 0.000 0.946 1143 R HN 0.489 nan 8.270 nan 0.000 0.422 1144 T N 4.212 118.950 114.554 0.306 0.000 2.794 1144 T HA 0.266 4.612 4.350 -0.006 0.000 0.280 1144 T C -0.619 174.347 174.700 0.443 0.000 0.987 1144 T CA -0.659 61.650 62.100 0.348 0.000 0.993 1144 T CB 1.193 70.239 68.868 0.297 0.000 0.939 1144 T HN 0.217 nan 8.240 nan 0.000 0.449 1145 L N 3.570 125.036 121.223 0.407 0.000 2.272 1145 L HA 0.545 4.882 4.340 -0.006 0.000 0.289 1145 L C -0.603 176.356 176.870 0.149 0.000 1.032 1145 L CA -0.445 54.595 54.840 0.333 0.000 0.810 1145 L CB 1.030 43.155 42.059 0.110 0.000 1.205 1145 L HN 0.479 nan 8.230 nan 0.000 0.422 1146 D N 4.839 125.281 120.400 0.069 0.000 2.454 1146 D HA 0.283 4.919 4.640 -0.006 0.000 0.225 1146 D C -0.835 175.353 176.300 -0.187 0.000 1.081 1146 D CA -0.184 53.787 54.000 -0.048 0.000 0.864 1146 D CB 1.322 42.110 40.800 -0.020 0.000 1.040 1146 D HN 0.367 nan 8.370 nan 0.000 0.517 1147 V N 4.129 123.873 119.914 -0.283 0.000 2.686 1147 V HA 0.278 4.394 4.120 -0.006 0.000 0.295 1147 V C 0.428 176.227 176.094 -0.492 0.000 1.057 1147 V CA -0.672 61.275 62.300 -0.588 0.000 1.012 1147 V CB 0.303 31.623 31.823 -0.837 0.000 1.006 1147 V HN 0.581 nan 8.190 nan 0.000 0.477 1148 F N 2.154 121.978 119.950 -0.210 0.000 2.866 1148 F HA -0.234 4.289 4.527 -0.006 0.000 0.254 1148 F C 1.694 177.431 175.800 -0.106 0.000 1.009 1148 F CA 0.751 58.666 58.000 -0.141 0.000 0.907 1148 F CB -2.226 36.665 39.000 -0.181 0.000 0.859 1148 F HN 0.668 nan 8.300 nan 0.000 0.842 1149 S N -0.366 115.335 115.700 0.002 0.000 2.436 1149 S HA 0.345 4.812 4.470 -0.006 0.000 0.228 1149 S C 1.874 176.595 174.600 0.202 0.000 1.014 1149 S CA 0.492 58.721 58.200 0.048 0.000 0.950 1149 S CB -0.227 62.879 63.200 -0.157 0.000 0.784 1149 S HN 1.899 nan 8.310 nan 0.000 0.504 1150 G N 1.177 110.104 108.800 0.212 0.000 2.578 1150 G HA2 -0.417 3.540 3.960 -0.006 0.000 0.275 1150 G HA3 -0.417 3.540 3.960 -0.006 0.000 0.275 1150 G C 0.978 176.105 174.900 0.378 0.000 1.271 1150 G CA 0.802 46.075 45.100 0.289 0.000 0.941 1150 G HN 1.491 nan 8.290 nan 0.000 0.564 1151 C N -0.139 119.386 119.300 0.376 0.000 2.511 1151 C HA 0.548 5.005 4.460 -0.006 0.000 0.277 1151 C C 2.039 177.283 174.990 0.424 0.000 1.451 1151 C CA 0.606 59.862 59.018 0.396 0.000 1.735 1151 C CB -1.155 26.813 27.740 0.379 0.000 1.704 1151 C HN 2.808 nan 8.230 nan 0.000 0.571 1152 G N -0.061 108.997 108.800 0.430 0.000 2.215 1152 G HA2 0.035 3.992 3.960 -0.006 0.000 0.198 1152 G HA3 0.035 3.992 3.960 -0.006 0.000 0.198 1152 G C 0.840 175.820 174.900 0.133 0.000 1.047 1152 G CA 0.128 45.423 45.100 0.325 0.000 0.747 1152 G HN 0.981 nan 8.290 nan 0.000 0.495 1153 G N 0.055 108.935 108.800 0.132 0.000 2.418 1153 G HA2 0.046 4.003 3.960 -0.006 0.000 0.217 1153 G HA3 0.046 4.003 3.960 -0.006 0.000 0.217 1153 G C 1.777 176.539 174.900 -0.229 0.000 1.158 1153 G CA 1.681 46.722 45.100 -0.099 0.000 0.771 1153 G HN 1.116 nan 8.290 nan 0.000 0.545 1154 L N 1.240 122.340 121.223 -0.205 0.000 2.017 1154 L HA 0.019 4.356 4.340 -0.006 0.000 0.208 1154 L C 2.825 179.398 176.870 -0.495 0.000 1.073 1154 L CA 2.532 57.149 54.840 -0.373 0.000 0.745 1154 L CB -0.916 40.901 42.059 -0.403 0.000 0.894 1154 L HN 0.165 nan 8.230 nan 0.000 0.432 1155 S N -0.478 115.012 115.700 -0.349 0.000 2.382 1155 S HA -0.221 4.246 4.470 -0.006 0.000 0.228 1155 S C 1.754 176.024 174.600 -0.549 0.000 1.027 1155 S CA 1.265 59.207 58.200 -0.431 0.000 0.991 1155 S CB -0.358 62.784 63.200 -0.097 0.000 0.823 1155 S HN 0.600 nan 8.310 nan 0.000 0.469 1156 E N 1.629 121.690 120.200 -0.232 0.000 2.021 1156 E HA -0.134 4.213 4.350 -0.006 0.000 0.200 1156 E C 2.178 178.727 176.600 -0.084 0.000 1.015 1156 E CA 1.864 58.225 56.400 -0.065 0.000 0.824 1156 E CB -1.179 28.469 29.700 -0.088 0.000 0.762 1156 E HN 0.365 nan 8.360 nan 0.000 0.454 1157 G N -0.565 108.158 108.800 -0.128 0.000 2.505 1157 G HA2 -0.283 3.674 3.960 -0.006 0.000 0.220 1157 G HA3 -0.283 3.674 3.960 -0.006 0.000 0.220 1157 G C 1.444 176.415 174.900 0.118 0.000 1.145 1157 G CA 1.101 46.179 45.100 -0.037 0.000 0.761 1157 G HN 0.268 nan 8.290 nan 0.000 0.571 1158 F N 1.116 120.937 119.950 -0.216 0.000 2.102 1158 F HA -0.001 4.523 4.527 -0.005 0.000 0.298 1158 F C 2.747 178.486 175.800 -0.102 0.000 1.105 1158 F CA 0.861 58.748 58.000 -0.188 0.000 1.239 1158 F CB -1.005 37.856 39.000 -0.231 0.000 0.991 1158 F HN 0.213 nan 8.300 nan 0.000 0.474 1159 H N 0.104 119.275 119.070 0.170 0.000 2.352 1159 H HA -0.136 4.416 4.556 -0.006 0.000 0.299 1159 H C 2.107 177.452 175.328 0.028 0.000 1.097 1159 H CA 1.478 57.570 56.048 0.073 0.000 1.311 1159 H CB -0.806 28.986 29.762 0.049 0.000 1.377 1159 H HN 0.414 nan 8.280 nan 0.000 0.504 1160 Q N 0.025 119.905 119.800 0.133 0.000 2.170 1160 Q HA -0.028 4.309 4.340 -0.006 0.000 0.203 1160 Q C 2.326 178.338 176.000 0.021 0.000 0.976 1160 Q CA 1.144 56.979 55.803 0.053 0.000 0.858 1160 Q CB -0.033 28.716 28.738 0.019 0.000 0.907 1160 Q HN 0.418 nan 8.270 nan 0.000 0.433 1161 A N 0.345 123.170 122.820 0.008 0.000 2.167 1161 A HA 0.208 4.524 4.320 -0.006 0.000 0.214 1161 A C 1.592 179.151 177.584 -0.042 0.000 1.151 1161 A CA 0.791 52.802 52.037 -0.044 0.000 0.735 1161 A CB -0.444 18.486 19.000 -0.116 0.000 0.802 1161 A HN 0.468 nan 8.150 nan 0.000 0.467 1162 G N -0.177 108.626 108.800 0.005 0.000 2.198 1162 G HA2 -0.310 3.646 3.960 -0.006 0.000 0.260 1162 G HA3 -0.310 3.646 3.960 -0.006 0.000 0.260 1162 G C 0.645 175.537 174.900 -0.013 0.000 1.025 1162 G CA 0.811 45.920 45.100 0.014 0.000 0.769 1162 G HN 1.360 nan 8.290 nan 0.000 0.507 1163 I N -2.047 118.491 120.570 -0.054 0.000 3.941 1163 I HA 0.550 4.717 4.170 -0.006 0.000 0.321 1163 I C 0.901 176.998 176.117 -0.033 0.000 1.284 1163 I CA 0.558 61.795 61.300 -0.105 0.000 1.226 1163 I CB 0.658 38.496 38.000 -0.270 0.000 1.045 1163 I HN 0.516 nan 8.210 nan 0.000 0.420 1164 S N 1.136 116.877 115.700 0.069 0.000 2.618 1164 S HA 0.665 5.132 4.470 -0.006 0.000 0.277 1164 S C -1.008 173.735 174.600 0.238 0.000 1.138 1164 S CA -0.599 57.699 58.200 0.162 0.000 0.844 1164 S CB 1.734 65.076 63.200 0.237 0.000 1.127 1164 S HN 0.437 nan 8.310 nan 0.000 0.474 1165 E N 0.686 120.995 120.200 0.182 0.000 2.244 1165 E HA 0.451 4.797 4.350 -0.006 0.000 0.260 1165 E C -1.234 175.441 176.600 0.124 0.000 0.884 1165 E CA -0.834 55.643 56.400 0.129 0.000 0.777 1165 E CB 1.227 30.924 29.700 -0.005 0.000 1.197 1165 E HN 0.452 nan 8.360 nan 0.000 0.416 1166 T N 4.710 119.412 114.554 0.246 0.000 2.751 1166 T HA 0.109 4.456 4.350 -0.006 0.000 0.290 1166 T C 0.977 175.627 174.700 -0.083 0.000 0.919 1166 T CA -0.124 62.082 62.100 0.178 0.000 1.136 1166 T CB 0.257 69.353 68.868 0.379 0.000 0.875 1166 T HN 0.531 nan 8.240 nan 0.000 0.532 1167 L N 1.791 122.765 121.223 -0.414 0.000 2.416 1167 L HA 0.282 4.618 4.340 -0.006 0.000 0.216 1167 L C 0.419 176.709 176.870 -0.967 0.000 1.098 1167 L CA 0.323 54.581 54.840 -0.970 0.000 0.840 1167 L CB 0.203 41.114 42.059 -1.913 0.000 0.981 1167 L HN 0.550 nan 8.230 nan 0.000 0.462 1168 W N -0.032 121.309 121.300 0.068 0.000 3.033 1168 W HA 0.693 5.350 4.660 -0.006 0.000 0.336 1168 W C -0.676 175.813 176.519 -0.050 0.000 1.173 1168 W CA -0.987 56.397 57.345 0.065 0.000 1.185 1168 W CB 1.740 31.290 29.460 0.150 0.000 1.425 1168 W HN -0.320 nan 8.180 nan 0.000 0.536 1169 A N 2.551 125.429 122.820 0.098 0.000 2.540 1169 A HA 0.781 5.098 4.320 -0.006 0.000 0.297 1169 A C -1.644 175.874 177.584 -0.109 0.000 1.056 1169 A CA -0.687 51.222 52.037 -0.214 0.000 0.700 1169 A CB 1.235 19.731 19.000 -0.841 0.000 1.280 1169 A HN 0.528 nan 8.150 nan 0.000 0.398 1170 I N 1.488 121.957 120.570 -0.169 0.000 2.389 1170 I HA 0.611 4.778 4.170 -0.006 0.000 0.288 1170 I C -0.494 175.527 176.117 -0.159 0.000 0.999 1170 I CA -0.447 60.779 61.300 -0.122 0.000 1.129 1170 I CB 2.034 39.901 38.000 -0.221 0.000 1.288 1170 I HN 0.741 nan 8.210 nan 0.000 0.444 1171 E N 6.030 126.197 120.200 -0.056 0.000 2.294 1171 E HA 0.252 4.598 4.350 -0.006 0.000 0.272 1171 E C -0.250 176.406 176.600 0.093 0.000 0.896 1171 E CA -0.459 55.957 56.400 0.027 0.000 0.802 1171 E CB 1.753 31.476 29.700 0.038 0.000 1.267 1171 E HN 0.665 nan 8.360 nan 0.000 0.406 1172 M N 3.073 122.760 119.600 0.145 0.000 2.254 1172 M HA 0.139 4.615 4.480 -0.006 0.000 0.265 1172 M C -0.114 176.333 176.300 0.245 0.000 1.066 1172 M CA 0.734 56.133 55.300 0.166 0.000 1.123 1172 M CB 0.208 32.907 32.600 0.164 0.000 1.388 1172 M HN 0.553 nan 8.290 nan 0.000 0.425 1173 W N 2.008 123.345 121.300 0.063 0.000 2.437 1173 W HA 0.144 4.801 4.660 -0.007 0.000 0.312 1173 W C 0.800 177.359 176.519 0.066 0.000 1.242 1173 W CA -0.586 56.800 57.345 0.069 0.000 1.340 1173 W CB 0.315 29.822 29.460 0.079 0.000 1.327 1173 W HN 0.248 nan 8.180 nan 0.000 0.476 1174 D N 5.656 126.017 120.400 -0.065 0.000 2.116 1174 D HA -0.228 4.408 4.640 -0.006 0.000 0.193 1174 D C -0.585 175.533 176.300 -0.303 0.000 0.998 1174 D CA 2.280 56.188 54.000 -0.154 0.000 0.836 1174 D CB -0.235 40.515 40.800 -0.085 0.000 0.951 1174 D HN 0.223 nan 8.370 nan 0.000 0.449 1175 P HA -0.066 nan 4.420 nan 0.000 0.216 1175 P C 1.126 178.224 177.300 -0.336 0.000 1.153 1175 P CA 2.011 64.853 63.100 -0.430 0.000 0.848 1175 P CB -0.184 31.009 31.700 -0.845 0.000 0.787 1176 A N 0.257 122.822 122.820 -0.424 0.000 1.858 1176 A HA -0.146 4.171 4.320 -0.006 0.000 0.216 1176 A C 2.370 179.983 177.584 0.049 0.000 1.190 1176 A CA 2.337 54.378 52.037 0.007 0.000 0.617 1176 A CB -1.707 17.480 19.000 0.311 0.000 0.827 1176 A HN 0.181 nan 8.150 nan 0.000 0.443 1177 A N -1.045 121.772 122.820 -0.006 0.000 1.908 1177 A HA -0.233 4.083 4.320 -0.006 0.000 0.218 1177 A C 2.145 179.688 177.584 -0.069 0.000 1.181 1177 A CA 1.813 53.843 52.037 -0.013 0.000 0.627 1177 A CB -0.542 18.430 19.000 -0.047 0.000 0.818 1177 A HN 0.569 nan 8.150 nan 0.000 0.445 1178 Q N -0.549 119.116 119.800 -0.225 0.000 2.002 1178 Q HA -0.193 4.143 4.340 -0.006 0.000 0.204 1178 Q C 2.541 178.377 176.000 -0.272 0.000 0.988 1178 Q CA 1.737 57.282 55.803 -0.430 0.000 0.843 1178 Q CB -0.943 27.155 28.738 -1.068 0.000 0.908 1178 Q HN 0.649 nan 8.270 nan 0.000 0.420 1179 A N 0.698 123.437 122.820 -0.134 0.000 1.927 1179 A HA -0.237 4.079 4.320 -0.006 0.000 0.220 1179 A C 2.020 179.580 177.584 -0.040 0.000 1.185 1179 A CA 1.719 53.740 52.037 -0.027 0.000 0.639 1179 A CB -1.095 17.974 19.000 0.116 0.000 0.820 1179 A HN 0.381 nan 8.150 nan 0.000 0.451 1180 F N 0.306 120.222 119.950 -0.057 0.000 2.095 1180 F HA -0.218 4.305 4.527 -0.006 0.000 0.298 1180 F C 2.576 178.311 175.800 -0.108 0.000 1.104 1180 F CA 2.057 60.038 58.000 -0.032 0.000 1.232 1180 F CB -0.128 38.876 39.000 0.007 0.000 0.987 1180 F HN 0.137 nan 8.300 nan 0.000 0.475 1181 R N 0.152 120.734 120.500 0.137 0.000 2.091 1181 R HA -0.186 4.151 4.340 -0.006 0.000 0.238 1181 R C 2.117 178.347 176.300 -0.117 0.000 1.136 1181 R CA 1.729 57.829 56.100 0.001 0.000 0.959 1181 R CB -0.746 29.497 30.300 -0.094 0.000 0.856 1181 R HN 0.376 nan 8.270 nan 0.000 0.437 1182 L N 0.776 121.891 121.223 -0.179 0.000 2.456 1182 L HA -0.091 4.245 4.340 -0.006 0.000 0.224 1182 L C 1.303 177.979 176.870 -0.322 0.000 1.148 1182 L CA 0.739 55.443 54.840 -0.226 0.000 0.825 1182 L CB -0.180 41.754 42.059 -0.209 0.000 0.937 1182 L HN 0.257 nan 8.230 nan 0.000 0.450 1183 N N -0.248 118.207 118.700 -0.409 0.000 2.197 1183 N HA 0.075 4.811 4.740 -0.006 0.000 0.201 1183 N C -0.361 174.925 175.510 -0.373 0.000 1.148 1183 N CA 0.151 52.873 53.050 -0.547 0.000 0.883 1183 N CB 0.644 38.522 38.487 -1.015 0.000 1.012 1183 N HN 0.306 nan 8.380 nan 0.000 0.507 1184 N N 0.466 119.006 118.700 -0.265 0.000 2.675 1184 N HA 0.215 4.951 4.740 -0.006 0.000 0.254 1184 N C -2.354 173.102 175.510 -0.091 0.000 1.224 1184 N CA -0.933 52.020 53.050 -0.161 0.000 0.777 1184 N CB 2.150 40.586 38.487 -0.085 0.000 1.256 1184 N HN -0.094 nan 8.380 nan 0.000 0.531 1185 P HA 0.071 nan 4.420 nan 0.000 0.233 1185 P C 0.891 178.135 177.300 -0.095 0.000 1.167 1185 P CA 0.674 63.712 63.100 -0.104 0.000 0.770 1185 P CB 0.391 32.026 31.700 -0.108 0.000 0.837 1186 G N -1.773 106.967 108.800 -0.100 0.000 3.651 1186 G HA2 0.128 4.085 3.960 -0.006 0.000 0.279 1186 G HA3 0.128 4.085 3.960 -0.006 0.000 0.279 1186 G C -0.365 174.457 174.900 -0.130 0.000 1.024 1186 G CA 0.162 45.195 45.100 -0.111 0.000 0.813 1186 G HN 0.228 nan 8.290 nan 0.000 0.518 1187 T N 0.674 115.172 114.554 -0.093 0.000 2.812 1187 T HA 0.481 4.827 4.350 -0.006 0.000 0.282 1187 T C -0.094 174.527 174.700 -0.133 0.000 0.990 1187 T CA -0.290 61.745 62.100 -0.108 0.000 0.960 1187 T CB 0.997 69.897 68.868 0.053 0.000 0.948 1187 T HN -0.031 nan 8.240 nan 0.000 0.438 1188 T N 4.430 118.855 114.554 -0.215 0.000 2.738 1188 T HA 0.320 4.667 4.350 -0.006 0.000 0.293 1188 T C 0.158 174.643 174.700 -0.358 0.000 0.913 1188 T CA -0.459 61.465 62.100 -0.293 0.000 1.103 1188 T CB 0.309 68.998 68.868 -0.297 0.000 0.880 1188 T HN 0.450 nan 8.240 nan 0.000 0.526 1189 V N 5.213 124.913 119.914 -0.358 0.000 2.318 1189 V HA 0.294 4.411 4.120 -0.006 0.000 0.271 1189 V C -0.234 175.667 176.094 -0.322 0.000 1.030 1189 V CA -0.824 61.297 62.300 -0.298 0.000 0.844 1189 V CB -0.353 31.348 31.823 -0.203 0.000 1.015 1189 V HN 0.756 nan 8.190 nan 0.000 0.460 1190 F N 2.594 122.512 119.950 -0.054 0.000 2.438 1190 F HA 0.227 4.750 4.527 -0.006 0.000 0.360 1190 F C 1.329 177.099 175.800 -0.049 0.000 1.118 1190 F CA -0.014 57.968 58.000 -0.031 0.000 1.164 1190 F CB 1.118 40.114 39.000 -0.008 0.000 1.131 1190 F HN 0.393 nan 8.300 nan 0.000 0.527 1191 T N 2.900 117.516 114.554 0.103 0.000 3.389 1191 T HA 0.260 4.607 4.350 -0.006 0.000 0.238 1191 T C -0.217 174.536 174.700 0.088 0.000 1.178 1191 T CA -0.105 62.032 62.100 0.061 0.000 1.117 1191 T CB -0.854 68.022 68.868 0.012 0.000 1.177 1191 T HN 0.662 nan 8.240 nan 0.000 0.653 1192 E N 0.861 121.123 120.200 0.103 0.000 2.450 1192 E HA 0.454 4.801 4.350 -0.006 0.000 0.272 1192 E C -1.339 175.302 176.600 0.069 0.000 0.967 1192 E CA -0.881 55.571 56.400 0.087 0.000 0.818 1192 E CB 1.650 31.404 29.700 0.090 0.000 1.401 1192 E HN 0.358 nan 8.360 nan 0.000 0.450 1193 D N -0.397 120.042 120.400 0.065 0.000 2.351 1193 D HA 0.063 4.700 4.640 -0.006 0.000 0.251 1193 D C 1.066 177.399 176.300 0.055 0.000 1.137 1193 D CA -0.089 53.952 54.000 0.068 0.000 0.879 1193 D CB 0.643 41.487 40.800 0.074 0.000 1.181 1193 D HN 0.585 nan 8.370 nan 0.000 0.448 1194 C N 3.278 122.608 119.300 0.050 0.000 2.422 1194 C HA -0.082 4.374 4.460 -0.006 0.000 0.279 1194 C C 2.048 177.147 174.990 0.181 0.000 1.305 1194 C CA -0.061 59.003 59.018 0.077 0.000 1.757 1194 C CB -1.041 26.663 27.740 -0.059 0.000 1.962 1194 C HN 0.634 nan 8.230 nan 0.000 0.499 1195 N N 1.565 120.343 118.700 0.129 0.000 2.039 1195 N HA -0.135 4.602 4.740 -0.006 0.000 0.193 1195 N C 1.976 177.490 175.510 0.007 0.000 1.044 1195 N CA 1.715 54.810 53.050 0.074 0.000 0.847 1195 N CB -0.764 37.758 38.487 0.058 0.000 1.030 1195 N HN 0.523 nan 8.380 nan 0.000 0.422 1196 V N 1.706 121.625 119.914 0.009 0.000 2.490 1196 V HA -0.149 3.968 4.120 -0.006 0.000 0.250 1196 V C 2.227 178.293 176.094 -0.047 0.000 1.061 1196 V CA 1.125 63.413 62.300 -0.019 0.000 1.064 1196 V CB -0.394 31.428 31.823 -0.001 0.000 0.670 1196 V HN 0.127 nan 8.190 nan 0.000 0.461 1197 L N -0.296 120.907 121.223 -0.033 0.000 2.027 1197 L HA -0.052 4.285 4.340 -0.006 0.000 0.206 1197 L C 2.232 179.016 176.870 -0.144 0.000 1.074 1197 L CA 2.397 57.186 54.840 -0.086 0.000 0.745 1197 L CB -1.010 41.008 42.059 -0.069 0.000 0.898 1197 L HN 0.431 nan 8.230 nan 0.000 0.433 1198 L N 0.286 121.421 121.223 -0.147 0.000 2.083 1198 L HA -0.157 4.180 4.340 -0.006 0.000 0.209 1198 L C 2.716 179.375 176.870 -0.351 0.000 1.083 1198 L CA 2.656 57.271 54.840 -0.374 0.000 0.752 1198 L CB -1.275 40.452 42.059 -0.553 0.000 0.899 1198 L HN 0.299 nan 8.230 nan 0.000 0.433 1199 K N -0.113 120.151 120.400 -0.228 0.000 2.032 1199 K HA -0.141 4.176 4.320 -0.006 0.000 0.209 1199 K C 2.042 178.527 176.600 -0.191 0.000 1.048 1199 K CA 2.121 58.291 56.287 -0.196 0.000 0.927 1199 K CB -1.518 30.908 32.500 -0.123 0.000 0.712 1199 K HN 0.575 nan 8.250 nan 0.000 0.441 1200 L N 0.190 121.317 121.223 -0.161 0.000 1.989 1200 L HA -0.154 4.183 4.340 -0.006 0.000 0.211 1200 L C 2.659 179.429 176.870 -0.167 0.000 1.071 1200 L CA 1.559 56.317 54.840 -0.135 0.000 0.749 1200 L CB -0.762 41.233 42.059 -0.107 0.000 0.890 1200 L HN 0.326 nan 8.230 nan 0.000 0.431 1201 V N -0.265 119.511 119.914 -0.230 0.000 2.720 1201 V HA -0.244 3.873 4.120 -0.006 0.000 0.256 1201 V C 2.227 178.120 176.094 -0.335 0.000 1.082 1201 V CA 1.563 63.711 62.300 -0.254 0.000 1.101 1201 V CB -0.091 31.571 31.823 -0.269 0.000 0.693 1201 V HN 0.375 nan 8.190 nan 0.000 0.479 1202 M N -0.036 119.323 119.600 -0.402 0.000 2.334 1202 M HA 0.146 4.623 4.480 -0.006 0.000 0.266 1202 M C 2.058 178.251 176.300 -0.178 0.000 1.082 1202 M CA 1.320 56.413 55.300 -0.346 0.000 1.141 1202 M CB -0.362 32.011 32.600 -0.379 0.000 1.380 1202 M HN 0.423 nan 8.290 nan 0.000 0.440 1203 A N 0.442 123.170 122.820 -0.153 0.000 2.258 1203 A HA 0.300 4.616 4.320 -0.006 0.000 0.206 1203 A C 1.699 179.239 177.584 -0.073 0.000 1.222 1203 A CA 0.929 52.907 52.037 -0.098 0.000 0.822 1203 A CB -1.324 17.625 19.000 -0.086 0.000 0.804 1203 A HN 0.711 nan 8.150 nan 0.000 0.483 1204 G N -1.056 107.699 108.800 -0.074 0.000 2.234 1204 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.260 1204 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.260 1204 G C 0.160 175.040 174.900 -0.034 0.000 0.987 1204 G CA 0.339 45.413 45.100 -0.044 0.000 0.625 1204 G HN 0.539 nan 8.290 nan 0.000 0.532 1205 E N -0.197 119.976 120.200 -0.046 0.000 2.459 1205 E HA 0.254 4.601 4.350 -0.006 0.000 0.264 1205 E C 1.333 177.924 176.600 -0.015 0.000 1.055 1205 E CA 0.616 56.998 56.400 -0.030 0.000 0.957 1205 E CB 1.234 30.910 29.700 -0.041 0.000 0.952 1205 E HN 0.246 nan 8.360 nan 0.000 0.448 1206 V N 1.089 121.008 119.914 0.008 0.000 3.570 1206 V HA 0.037 4.154 4.120 -0.006 0.000 0.257 1206 V C 0.842 176.971 176.094 0.057 0.000 1.272 1206 V CA 0.715 63.035 62.300 0.033 0.000 1.079 1206 V CB 1.088 32.935 31.823 0.040 0.000 0.829 1206 V HN 0.608 nan 8.190 nan 0.000 0.454 1207 T N 0.462 115.048 114.554 0.052 0.000 2.883 1207 T HA 0.458 4.804 4.350 -0.006 0.000 0.296 1207 T C -0.790 173.953 174.700 0.072 0.000 1.117 1207 T CA -0.582 61.571 62.100 0.088 0.000 1.006 1207 T CB 1.744 70.662 68.868 0.084 0.000 1.191 1207 T HN 0.415 nan 8.240 nan 0.000 0.508 1208 N N 0.314 119.085 118.700 0.118 0.000 2.495 1208 N HA 0.249 4.986 4.740 -0.006 0.000 0.294 1208 N C 1.356 176.911 175.510 0.076 0.000 1.276 1208 N CA 0.106 53.212 53.050 0.094 0.000 0.973 1208 N CB -0.237 38.345 38.487 0.158 0.000 1.143 1208 N HN 0.516 nan 8.380 nan 0.000 0.589 1209 S N -1.624 114.114 115.700 0.064 0.000 2.515 1209 S HA -0.002 4.464 4.470 -0.006 0.000 0.231 1209 S C 1.167 175.795 174.600 0.047 0.000 0.987 1209 S CA 0.282 58.509 58.200 0.046 0.000 0.936 1209 S CB -0.354 62.868 63.200 0.036 0.000 0.766 1209 S HN 0.393 nan 8.310 nan 0.000 0.528 1210 L N 1.381 122.642 121.223 0.064 0.000 2.607 1210 L HA 0.448 4.785 4.340 -0.006 0.000 0.228 1210 L C 1.482 178.379 176.870 0.045 0.000 1.123 1210 L CA 0.506 55.374 54.840 0.047 0.000 0.890 1210 L CB -0.690 41.394 42.059 0.042 0.000 1.103 1210 L HN 0.517 nan 8.230 nan 0.000 0.468 1211 G N 0.524 109.363 108.800 0.065 0.000 2.324 1211 G HA2 -0.273 3.684 3.960 -0.006 0.000 0.292 1211 G HA3 -0.273 3.684 3.960 -0.006 0.000 0.292 1211 G C 0.091 175.036 174.900 0.074 0.000 1.079 1211 G CA -0.102 45.036 45.100 0.064 0.000 1.026 1211 G HN 0.419 nan 8.290 nan 0.000 0.506 1212 Q N -0.550 119.328 119.800 0.129 0.000 2.322 1212 Q HA 0.385 4.722 4.340 -0.006 0.000 0.265 1212 Q C 0.519 176.693 176.000 0.291 0.000 0.985 1212 Q CA -0.919 54.970 55.803 0.143 0.000 0.849 1212 Q CB 1.886 30.652 28.738 0.046 0.000 1.274 1212 Q HN 0.403 nan 8.270 nan 0.000 0.449 1213 R N 3.089 123.739 120.500 0.249 0.000 2.402 1213 R HA 0.028 4.364 4.340 -0.006 0.000 0.331 1213 R C -0.514 176.044 176.300 0.432 0.000 1.040 1213 R CA -0.369 55.899 56.100 0.281 0.000 0.980 1213 R CB 0.100 30.537 30.300 0.228 0.000 0.967 1213 R HN 0.433 nan 8.270 nan 0.000 0.440 1214 L N 6.946 128.340 121.223 0.285 0.000 2.516 1214 L HA 0.063 4.400 4.340 -0.006 0.000 0.288 1214 L C -1.886 175.011 176.870 0.044 0.000 1.246 1214 L CA -1.275 53.619 54.840 0.091 0.000 0.844 1214 L CB -0.059 41.968 42.059 -0.054 0.000 1.106 1214 L HN 0.593 nan 8.230 nan 0.000 0.509 1215 P HA 0.267 nan 4.420 nan 0.000 0.285 1215 P C -0.994 176.291 177.300 -0.024 0.000 1.259 1215 P CA -0.559 62.236 63.100 -0.507 0.000 0.794 1215 P CB 1.007 31.898 31.700 -1.348 0.000 0.940 1216 Q N 1.190 121.018 119.800 0.048 0.000 2.378 1216 Q HA 0.342 4.679 4.340 -0.006 0.000 0.276 1216 Q C -0.219 175.884 176.000 0.170 0.000 1.083 1216 Q CA -1.023 54.880 55.803 0.166 0.000 0.856 1216 Q CB 1.573 30.366 28.738 0.092 0.000 1.383 1216 Q HN 0.345 nan 8.270 nan 0.000 0.458 1217 K N 0.470 120.896 120.400 0.042 0.000 2.430 1217 K HA 0.161 4.478 4.320 -0.006 0.000 0.280 1217 K C 0.726 177.332 176.600 0.010 0.000 1.063 1217 K CA 1.126 57.376 56.287 -0.062 0.000 1.071 1217 K CB -0.140 32.184 32.500 -0.293 0.000 0.899 1217 K HN 0.951 nan 8.250 nan 0.000 0.473 1218 G N 3.367 112.203 108.800 0.060 0.000 2.307 1218 G HA2 -0.236 3.721 3.960 -0.006 0.000 0.210 1218 G HA3 -0.236 3.721 3.960 -0.006 0.000 0.210 1218 G C 0.671 175.653 174.900 0.137 0.000 1.005 1218 G CA 0.103 45.252 45.100 0.082 0.000 0.634 1218 G HN 0.618 nan 8.290 nan 0.000 0.496 1219 D N 0.818 121.303 120.400 0.141 0.000 2.077 1219 D HA 0.033 4.669 4.640 -0.006 0.000 0.193 1219 D C 1.695 178.156 176.300 0.268 0.000 0.989 1219 D CA 1.439 55.574 54.000 0.224 0.000 0.831 1219 D CB -0.558 40.306 40.800 0.106 0.000 0.979 1219 D HN 0.426 nan 8.370 nan 0.000 0.449 1220 V N 2.103 122.052 119.914 0.059 0.000 2.450 1220 V HA -0.006 4.111 4.120 -0.006 0.000 0.281 1220 V C 1.215 177.446 176.094 0.230 0.000 1.019 1220 V CA 0.473 62.842 62.300 0.114 0.000 1.062 1220 V CB 0.704 32.438 31.823 -0.149 0.000 0.979 1220 V HN 0.106 nan 8.190 nan 0.000 0.477 1221 E N 3.734 124.114 120.200 0.300 0.000 2.476 1221 E HA 0.302 4.649 4.350 -0.006 0.000 0.199 1221 E C 0.213 177.026 176.600 0.356 0.000 1.021 1221 E CA 0.096 56.678 56.400 0.302 0.000 0.907 1221 E CB 0.915 30.787 29.700 0.288 0.000 0.974 1221 E HN 0.717 nan 8.360 nan 0.000 0.489 1222 M N 1.290 121.096 119.600 0.344 0.000 2.325 1222 M HA 0.308 4.785 4.480 -0.006 0.000 0.285 1222 M C -2.253 174.238 176.300 0.319 0.000 1.119 1222 M CA -0.370 55.150 55.300 0.367 0.000 0.959 1222 M CB 1.847 34.661 32.600 0.358 0.000 1.737 1222 M HN -0.100 nan 8.290 nan 0.000 0.486 1223 L N 4.754 126.171 121.223 0.324 0.000 2.334 1223 L HA 0.895 5.231 4.340 -0.006 0.000 0.276 1223 L C -1.308 175.691 176.870 0.216 0.000 1.014 1223 L CA -0.664 54.348 54.840 0.288 0.000 0.815 1223 L CB 1.841 44.108 42.059 0.348 0.000 1.268 1223 L HN 1.030 nan 8.230 nan 0.000 0.428 1224 C N 1.211 120.622 119.300 0.185 0.000 2.871 1224 C HA 0.900 5.357 4.460 -0.006 0.000 0.378 1224 C C -0.185 174.708 174.990 -0.162 0.000 1.052 1224 C CA -0.640 58.391 59.018 0.020 0.000 1.250 1224 C CB 0.332 28.037 27.740 -0.060 0.000 1.689 1224 C HN 0.939 nan 8.230 nan 0.000 0.506 1225 G N 0.640 109.186 108.800 -0.423 0.000 2.725 1225 G HA2 0.813 4.769 3.960 -0.006 0.000 0.288 1225 G HA3 0.813 4.769 3.960 -0.006 0.000 0.288 1225 G C -0.338 174.314 174.900 -0.414 0.000 1.399 1225 G CA -0.252 44.489 45.100 -0.598 0.000 0.859 1225 G HN 1.758 nan 8.290 nan 0.000 0.479 1226 G N 0.878 109.541 108.800 -0.228 0.000 4.855 1226 G HA2 0.572 4.529 3.960 -0.006 0.000 0.275 1226 G HA3 0.572 4.529 3.960 -0.006 0.000 0.275 1226 G C -2.461 172.177 174.900 -0.437 0.000 1.282 1226 G CA -1.026 43.924 45.100 -0.251 0.000 0.930 1226 G HN 0.454 nan 8.290 nan 0.000 0.575 1227 P HA 0.174 nan 4.420 nan 0.000 0.266 1227 P C -2.633 174.382 177.300 -0.476 0.000 1.215 1227 P CA -1.100 61.281 63.100 -1.200 0.000 0.763 1227 P CB 1.154 32.414 31.700 -0.733 0.000 0.806 1228 P HA 0.067 nan 4.420 nan 0.000 0.271 1228 P C 0.175 177.402 177.300 -0.123 0.000 1.220 1228 P CA -0.061 62.930 63.100 -0.182 0.000 0.768 1228 P CB 0.592 32.199 31.700 -0.156 0.000 0.848 1229 C N 2.444 121.664 119.300 -0.133 0.000 2.791 1229 C HA 0.047 4.503 4.460 -0.006 0.000 0.270 1229 C C 2.183 176.784 174.990 -0.647 0.000 1.257 1229 C CA 0.164 58.910 59.018 -0.452 0.000 1.699 1229 C CB -1.409 26.200 27.740 -0.218 0.000 1.904 1229 C HN 0.608 nan 8.230 nan 0.000 0.603 1230 Q N 1.021 120.635 119.800 -0.311 0.000 2.515 1230 Q HA -0.050 4.287 4.340 -0.006 0.000 0.215 1230 Q C 2.105 177.977 176.000 -0.213 0.000 0.983 1230 Q CA 1.445 57.105 55.803 -0.240 0.000 0.905 1230 Q CB -0.317 28.348 28.738 -0.122 0.000 0.961 1230 Q HN 0.722 nan 8.270 nan 0.000 0.503 1231 G N 0.408 109.085 108.800 -0.204 0.000 2.534 1231 G HA2 -0.037 3.920 3.960 -0.006 0.000 0.217 1231 G HA3 -0.037 3.920 3.960 -0.006 0.000 0.217 1231 G C 0.498 175.506 174.900 0.181 0.000 1.128 1231 G CA 0.502 45.639 45.100 0.061 0.000 0.784 1231 G HN 0.563 nan 8.290 nan 0.000 0.542 1232 F N -0.452 119.466 119.950 -0.053 0.000 2.545 1232 F HA 0.325 4.849 4.527 -0.005 0.000 0.332 1232 F C 0.009 175.687 175.800 -0.203 0.000 1.264 1232 F CA -1.027 56.947 58.000 -0.044 0.000 0.955 1232 F CB -0.654 38.399 39.000 0.089 0.000 1.487 1232 F HN 0.013 nan 8.300 nan 0.000 0.489 1233 S N 0.545 115.853 115.700 -0.653 0.000 2.465 1233 S HA 0.868 5.334 4.470 -0.006 0.000 0.279 1233 S C 0.075 174.324 174.600 -0.585 0.000 1.201 1233 S CA 0.274 57.829 58.200 -1.074 0.000 1.053 1233 S CB 1.161 63.573 63.200 -1.314 0.000 0.953 1233 S HN 1.164 nan 8.310 nan 0.000 0.488 1234 G N 2.199 110.720 108.800 -0.466 0.000 2.632 1234 G HA2 0.456 4.413 3.960 -0.006 0.000 0.292 1234 G HA3 0.456 4.413 3.960 -0.006 0.000 0.292 1234 G C 0.072 174.958 174.900 -0.023 0.000 1.465 1234 G CA -0.801 44.217 45.100 -0.136 0.000 0.824 1234 G HN 0.497 nan 8.290 nan 0.000 0.509 1235 M N 0.326 119.933 119.600 0.011 0.000 2.510 1235 M HA 0.168 4.645 4.480 -0.006 0.000 0.256 1235 M C 0.679 176.948 176.300 -0.052 0.000 1.132 1235 M CA 0.105 55.408 55.300 0.005 0.000 1.105 1235 M CB -0.698 31.914 32.600 0.019 0.000 1.375 1235 M HN 0.376 nan 8.290 nan 0.000 0.477 1236 N N 1.563 120.225 118.700 -0.064 0.000 2.482 1236 N HA 0.148 4.884 4.740 -0.006 0.000 0.260 1236 N C 0.274 175.710 175.510 -0.122 0.000 1.236 1236 N CA 0.004 53.013 53.050 -0.068 0.000 0.938 1236 N CB 0.785 39.248 38.487 -0.039 0.000 1.128 1236 N HN 0.158 nan 8.380 nan 0.000 0.448 1237 R N 0.184 120.631 120.500 -0.087 0.000 2.905 1237 R HA 0.082 4.419 4.340 -0.006 0.000 0.273 1237 R C 0.197 176.455 176.300 -0.071 0.000 1.033 1237 R CA 0.143 56.186 56.100 -0.095 0.000 1.182 1237 R CB 0.288 30.577 30.300 -0.019 0.000 1.097 1237 R HN 0.443 nan 8.270 nan 0.000 0.504 1238 F N 1.326 121.276 119.950 -0.001 0.000 2.418 1238 F HA 0.088 4.611 4.527 -0.006 0.000 0.341 1238 F C 1.020 176.834 175.800 0.024 0.000 1.120 1238 F CA -0.045 57.973 58.000 0.032 0.000 1.232 1238 F CB 0.716 39.749 39.000 0.056 0.000 1.175 1238 F HN 0.585 nan 8.300 nan 0.000 0.569 1239 N N 1.178 120.073 118.700 0.325 0.000 2.455 1239 N HA 0.315 5.051 4.740 -0.006 0.000 0.278 1239 N C 0.332 175.936 175.510 0.155 0.000 1.291 1239 N CA -0.011 53.140 53.050 0.169 0.000 0.780 1239 N CB 1.203 39.759 38.487 0.116 0.000 1.520 1239 N HN 0.668 nan 8.380 nan 0.000 0.486 1240 S N 1.270 117.023 115.700 0.087 0.000 2.425 1240 S HA -0.338 4.129 4.470 -0.006 0.000 0.256 1240 S C 1.696 176.361 174.600 0.108 0.000 1.101 1240 S CA 2.904 61.150 58.200 0.076 0.000 1.188 1240 S CB -0.841 62.386 63.200 0.046 0.000 1.085 1240 S HN 0.818 nan 8.310 nan 0.000 0.439 1241 R N -1.444 119.114 120.500 0.097 0.000 2.280 1241 R HA 0.234 4.571 4.340 -0.006 0.000 0.195 1241 R C 1.848 178.213 176.300 0.109 0.000 0.935 1241 R CA 0.992 57.143 56.100 0.085 0.000 1.033 1241 R CB -0.566 29.770 30.300 0.061 0.000 0.964 1241 R HN 0.333 nan 8.270 nan 0.000 0.489 1242 T N 0.164 114.818 114.554 0.167 0.000 3.035 1242 T HA -0.058 4.289 4.350 -0.006 0.000 0.259 1242 T C 0.970 175.848 174.700 0.297 0.000 1.078 1242 T CA 0.559 62.802 62.100 0.239 0.000 1.132 1242 T CB -0.206 68.830 68.868 0.281 0.000 0.900 1242 T HN 0.423 nan 8.240 nan 0.000 0.480 1243 Y N 1.466 121.792 120.300 0.044 0.000 2.395 1243 Y HA 0.121 4.668 4.550 -0.005 0.000 0.293 1243 Y C 2.583 178.370 175.900 -0.189 0.000 1.123 1243 Y CA 1.338 59.217 58.100 -0.368 0.000 1.227 1243 Y CB -0.354 37.820 38.460 -0.478 0.000 1.012 1243 Y HN 0.256 nan 8.280 nan 0.000 0.552 1244 S N 0.901 116.559 115.700 -0.069 0.000 2.368 1244 S HA -0.185 4.282 4.470 -0.006 0.000 0.224 1244 S C 2.054 176.554 174.600 -0.167 0.000 1.029 1244 S CA 1.981 60.106 58.200 -0.126 0.000 0.988 1244 S CB -0.912 62.277 63.200 -0.018 0.000 0.838 1244 S HN 0.450 nan 8.310 nan 0.000 0.462 1245 K N 0.271 120.627 120.400 -0.073 0.000 2.442 1245 K HA 0.246 4.562 4.320 -0.006 0.000 0.198 1245 K C 1.519 178.006 176.600 -0.189 0.000 1.042 1245 K CA 1.182 57.436 56.287 -0.054 0.000 0.958 1245 K CB -1.047 31.492 32.500 0.066 0.000 0.766 1245 K HN 0.716 nan 8.250 nan 0.000 0.474 1246 F N 0.597 120.259 119.950 -0.479 0.000 2.746 1246 F HA 0.262 4.785 4.527 -0.006 0.000 0.297 1246 F C 1.766 177.164 175.800 -0.670 0.000 1.113 1246 F CA 0.378 57.900 58.000 -0.797 0.000 1.367 1246 F CB 0.684 39.297 39.000 -0.644 0.000 1.111 1246 F HN 0.035 nan 8.300 nan 0.000 0.590 1247 K N 0.030 119.999 120.400 -0.718 0.000 2.228 1247 K HA 0.009 4.326 4.320 -0.006 0.000 0.202 1247 K C 0.673 177.003 176.600 -0.449 0.000 1.051 1247 K CA 0.747 56.650 56.287 -0.640 0.000 0.960 1247 K CB -0.128 32.099 32.500 -0.455 0.000 0.743 1247 K HN 0.188 nan 8.250 nan 0.000 0.458 1248 N N 1.376 119.867 118.700 -0.349 0.000 2.314 1248 N HA -0.033 4.704 4.740 -0.006 0.000 0.200 1248 N C -0.057 175.344 175.510 -0.181 0.000 1.135 1248 N CA 0.127 53.053 53.050 -0.205 0.000 0.835 1248 N CB 0.370 38.785 38.487 -0.121 0.000 0.989 1248 N HN 0.111 nan 8.380 nan 0.000 0.478 1249 S N -0.359 115.137 115.700 -0.340 0.000 2.584 1249 S HA 0.282 4.749 4.470 -0.006 0.000 0.273 1249 S C 1.478 176.065 174.600 -0.021 0.000 1.311 1249 S CA -0.691 57.377 58.200 -0.220 0.000 1.034 1249 S CB 1.123 63.935 63.200 -0.647 0.000 0.939 1249 S HN 0.121 nan 8.310 nan 0.000 0.513 1250 L N 2.520 123.830 121.223 0.145 0.000 2.265 1250 L HA -0.036 4.301 4.340 -0.006 0.000 0.215 1250 L C 2.552 179.586 176.870 0.273 0.000 1.117 1250 L CA 0.647 55.621 54.840 0.225 0.000 0.782 1250 L CB -0.704 41.423 42.059 0.114 0.000 0.914 1250 L HN 0.718 nan 8.230 nan 0.000 0.441 1251 V N -0.834 119.233 119.914 0.254 0.000 2.809 1251 V HA -0.135 3.982 4.120 -0.006 0.000 0.256 1251 V C 2.160 178.425 176.094 0.284 0.000 1.080 1251 V CA 1.183 63.706 62.300 0.372 0.000 1.102 1251 V CB 0.434 32.596 31.823 0.566 0.000 0.705 1251 V HN 0.211 nan 8.190 nan 0.000 0.475 1252 V N -0.282 119.658 119.914 0.042 0.000 2.446 1252 V HA -0.103 4.014 4.120 -0.006 0.000 0.244 1252 V C 2.627 178.781 176.094 0.100 0.000 1.039 1252 V CA 1.976 64.243 62.300 -0.054 0.000 1.045 1252 V CB -0.144 31.479 31.823 -0.333 0.000 0.681 1252 V HN 0.600 nan 8.190 nan 0.000 0.459 1253 S N 0.415 116.220 115.700 0.175 0.000 2.370 1253 S HA -0.230 4.236 4.470 -0.006 0.000 0.226 1253 S C 1.829 176.737 174.600 0.514 0.000 1.033 1253 S CA 1.961 60.334 58.200 0.290 0.000 1.011 1253 S CB -0.489 62.910 63.200 0.331 0.000 0.852 1253 S HN 0.584 nan 8.310 nan 0.000 0.457 1254 F N 2.250 122.446 119.950 0.410 0.000 2.216 1254 F HA 0.036 4.560 4.527 -0.005 0.000 0.300 1254 F C 1.744 177.810 175.800 0.444 0.000 1.085 1254 F CA 0.759 59.029 58.000 0.451 0.000 1.326 1254 F CB -0.446 38.856 39.000 0.503 0.000 1.027 1254 F HN 0.105 nan 8.300 nan 0.000 0.497 1255 L N -0.823 120.525 121.223 0.208 0.000 2.056 1255 L HA -0.197 4.139 4.340 -0.006 0.000 0.207 1255 L C 2.463 179.346 176.870 0.022 0.000 1.078 1255 L CA 1.477 56.322 54.840 0.010 0.000 0.749 1255 L CB -1.036 41.046 42.059 0.039 0.000 0.901 1255 L HN 0.089 nan 8.230 nan 0.000 0.433 1256 S N -0.849 114.906 115.700 0.091 0.000 2.383 1256 S HA -0.217 4.249 4.470 -0.006 0.000 0.229 1256 S C 1.851 176.492 174.600 0.067 0.000 1.030 1256 S CA 1.252 59.476 58.200 0.040 0.000 1.002 1256 S CB -0.466 62.730 63.200 -0.007 0.000 0.829 1256 S HN 0.339 nan 8.310 nan 0.000 0.467 1257 Y N 0.504 120.872 120.300 0.113 0.000 2.207 1257 Y HA -0.234 4.313 4.550 -0.005 0.000 0.287 1257 Y C 2.955 178.999 175.900 0.240 0.000 1.156 1257 Y CA 0.984 59.227 58.100 0.240 0.000 1.182 1257 Y CB -0.599 38.022 38.460 0.268 0.000 0.979 1257 Y HN 0.367 nan 8.280 nan 0.000 0.521 1258 C N -0.151 119.264 119.300 0.192 0.000 2.446 1258 C HA -0.159 4.298 4.460 -0.006 0.000 0.277 1258 C C 2.620 177.663 174.990 0.088 0.000 1.275 1258 C CA 1.697 60.763 59.018 0.078 0.000 1.727 1258 C CB -1.030 26.519 27.740 -0.319 0.000 2.010 1258 C HN 0.634 nan 8.230 nan 0.000 0.486 1259 D N -1.515 118.907 120.400 0.038 0.000 2.117 1259 D HA -0.181 4.456 4.640 -0.006 0.000 0.198 1259 D C 1.921 178.183 176.300 -0.062 0.000 0.982 1259 D CA 1.473 55.473 54.000 -0.000 0.000 0.828 1259 D CB -0.436 40.356 40.800 -0.014 0.000 0.967 1259 D HN 0.678 nan 8.370 nan 0.000 0.464 1260 Y N -0.716 119.478 120.300 -0.176 0.000 2.133 1260 Y HA -0.193 4.354 4.550 -0.005 0.000 0.287 1260 Y C 1.741 177.417 175.900 -0.375 0.000 1.134 1260 Y CA 1.685 59.579 58.100 -0.343 0.000 1.133 1260 Y CB -0.319 37.830 38.460 -0.519 0.000 0.987 1260 Y HN 0.033 nan 8.280 nan 0.000 0.502 1261 Y N -0.247 120.023 120.300 -0.049 0.000 2.420 1261 Y HA 0.069 4.615 4.550 -0.006 0.000 0.292 1261 Y C 0.568 176.391 175.900 -0.128 0.000 1.119 1261 Y CA 0.700 58.740 58.100 -0.100 0.000 1.229 1261 Y CB 0.156 38.665 38.460 0.082 0.000 1.026 1261 Y HN -0.134 nan 8.280 nan 0.000 0.554 1262 R N -0.478 120.049 120.500 0.044 0.000 3.146 1262 R HA -0.147 4.190 4.340 -0.006 0.000 0.250 1262 R C -2.950 173.462 176.300 0.186 0.000 0.912 1262 R CA 0.084 56.158 56.100 -0.043 0.000 0.633 1262 R CB -2.415 27.504 30.300 -0.635 0.000 1.180 1262 R HN 0.281 nan 8.270 nan 0.000 0.464 1263 P HA 0.075 nan 4.420 nan 0.000 0.271 1263 P C 0.956 178.504 177.300 0.414 0.000 1.233 1263 P CA -0.294 63.034 63.100 0.379 0.000 0.789 1263 P CB 0.503 32.451 31.700 0.412 0.000 0.951 1264 R N 0.205 120.893 120.500 0.313 0.000 2.115 1264 R HA 0.062 4.399 4.340 -0.006 0.000 0.230 1264 R C 0.180 176.340 176.300 -0.233 0.000 1.111 1264 R CA 1.252 57.400 56.100 0.080 0.000 0.976 1264 R CB -0.308 30.064 30.300 0.121 0.000 0.870 1264 R HN 0.451 nan 8.270 nan 0.000 0.445 1265 F N -1.203 118.959 119.950 0.352 0.000 2.599 1265 F HA 0.407 4.931 4.527 -0.006 0.000 0.311 1265 F C -0.671 175.354 175.800 0.375 0.000 1.076 1265 F CA -1.326 56.875 58.000 0.336 0.000 0.937 1265 F CB 1.778 40.914 39.000 0.227 0.000 1.282 1265 F HN -0.260 nan 8.300 nan 0.000 0.460 1266 F N 3.409 123.562 119.950 0.339 0.000 2.569 1266 F HA 0.745 5.269 4.527 -0.005 0.000 0.312 1266 F C -2.132 173.808 175.800 0.234 0.000 1.109 1266 F CA -0.829 57.287 58.000 0.194 0.000 0.919 1266 F CB 1.587 40.546 39.000 -0.069 0.000 1.211 1266 F HN 0.395 nan 8.300 nan 0.000 0.446 1267 L N 8.190 129.099 121.223 -0.523 0.000 2.491 1267 L HA 0.506 4.843 4.340 -0.006 0.000 0.267 1267 L C -2.010 174.611 176.870 -0.415 0.000 0.971 1267 L CA -0.727 53.944 54.840 -0.281 0.000 0.857 1267 L CB 1.715 43.778 42.059 0.008 0.000 1.226 1267 L HN 0.779 nan 8.230 nan 0.000 0.408 1268 L N 4.922 125.989 121.223 -0.260 0.000 2.298 1268 L HA 0.482 4.819 4.340 -0.006 0.000 0.284 1268 L C -0.554 176.256 176.870 -0.101 0.000 1.013 1268 L CA -0.354 54.478 54.840 -0.013 0.000 0.824 1268 L CB 1.563 43.800 42.059 0.297 0.000 1.221 1268 L HN 0.671 nan 8.230 nan 0.000 0.418 1269 E N 3.731 123.832 120.200 -0.166 0.000 2.183 1269 E HA 0.591 4.938 4.350 -0.006 0.000 0.271 1269 E C -1.493 174.987 176.600 -0.200 0.000 0.919 1269 E CA -0.541 55.756 56.400 -0.171 0.000 0.781 1269 E CB 1.936 31.541 29.700 -0.159 0.000 1.140 1269 E HN 0.606 nan 8.360 nan 0.000 0.402 1270 N N 0.979 119.567 118.700 -0.187 0.000 3.039 1270 N HA 0.430 5.166 4.740 -0.006 0.000 0.257 1270 N C -0.956 174.528 175.510 -0.043 0.000 1.497 1270 N CA -0.409 52.562 53.050 -0.131 0.000 0.861 1270 N CB 1.543 39.913 38.487 -0.195 0.000 1.479 1270 N HN 0.492 nan 8.380 nan 0.000 0.547 1271 V N -0.317 119.609 119.914 0.020 0.000 3.923 1271 V HA 0.114 4.231 4.120 -0.006 0.000 0.292 1271 V C 1.594 177.710 176.094 0.038 0.000 1.070 1271 V CA 0.141 62.460 62.300 0.031 0.000 1.103 1271 V CB 0.319 32.175 31.823 0.054 0.000 1.175 1271 V HN 0.744 nan 8.190 nan 0.000 0.471 1272 R N -0.199 120.312 120.500 0.019 0.000 2.100 1272 R HA -0.036 4.300 4.340 -0.006 0.000 0.220 1272 R C 1.890 178.170 176.300 -0.033 0.000 1.091 1272 R CA 1.210 57.326 56.100 0.026 0.000 0.986 1272 R CB -0.374 29.942 30.300 0.026 0.000 0.888 1272 R HN 0.874 nan 8.270 nan 0.000 0.444 1273 N N 0.774 119.368 118.700 -0.176 0.000 2.443 1273 N HA -0.176 4.561 4.740 -0.006 0.000 0.184 1273 N C 1.315 176.328 175.510 -0.829 0.000 1.037 1273 N CA 0.610 53.359 53.050 -0.501 0.000 0.896 1273 N CB -0.404 37.694 38.487 -0.648 0.000 0.959 1273 N HN 0.209 nan 8.380 nan 0.000 0.442 1274 F N 1.575 121.188 119.950 -0.561 0.000 2.147 1274 F HA -0.247 4.277 4.527 -0.006 0.000 0.301 1274 F C 2.000 177.722 175.800 -0.129 0.000 1.084 1274 F CA 1.143 59.003 58.000 -0.233 0.000 1.268 1274 F CB -0.015 38.998 39.000 0.022 0.000 1.009 1274 F HN -0.032 nan 8.300 nan 0.000 0.486 1275 V N -1.923 118.045 119.914 0.090 0.000 3.380 1275 V HA 0.011 4.127 4.120 -0.006 0.000 0.268 1275 V C 1.395 177.465 176.094 -0.041 0.000 1.168 1275 V CA 1.442 63.793 62.300 0.085 0.000 1.156 1275 V CB -0.809 31.146 31.823 0.220 0.000 0.785 1275 V HN 0.461 nan 8.190 nan 0.000 0.487 1276 S N -2.965 112.649 115.700 -0.145 0.000 2.649 1276 S HA 0.318 4.785 4.470 -0.006 0.000 0.246 1276 S C 0.407 174.952 174.600 -0.092 0.000 1.057 1276 S CA -0.469 57.669 58.200 -0.104 0.000 1.051 1276 S CB -0.644 62.511 63.200 -0.074 0.000 1.018 1276 S HN 0.533 nan 8.310 nan 0.000 0.569 1277 Y N 3.546 123.760 120.300 -0.144 0.000 2.895 1277 Y HA 0.056 4.603 4.550 -0.006 0.000 0.334 1277 Y C 0.921 176.654 175.900 -0.278 0.000 1.261 1277 Y CA -0.017 57.962 58.100 -0.200 0.000 1.560 1277 Y CB 0.238 38.557 38.460 -0.234 0.000 1.253 1277 Y HN 0.154 nan 8.280 nan 0.000 0.582 1278 R N 2.524 122.946 120.500 -0.130 0.000 3.423 1278 R HA -0.253 4.084 4.340 -0.006 0.000 0.271 1278 R C -0.271 175.890 176.300 -0.232 0.000 1.093 1278 R CA 0.571 56.459 56.100 -0.354 0.000 0.730 1278 R CB -1.384 28.415 30.300 -0.835 0.000 1.190 1278 R HN 0.820 nan 8.270 nan 0.000 0.437 1279 R N -1.199 119.229 120.500 -0.119 0.000 3.416 1279 R HA -0.223 4.114 4.340 -0.006 0.000 0.263 1279 R C 0.235 176.496 176.300 -0.066 0.000 1.053 1279 R CA 1.196 57.253 56.100 -0.072 0.000 0.705 1279 R CB -2.287 27.977 30.300 -0.060 0.000 1.124 1279 R HN 0.662 nan 8.270 nan 0.000 0.444 1280 S N -2.728 112.922 115.700 -0.083 0.000 3.228 1280 S HA -0.231 4.236 4.470 -0.006 0.000 0.282 1280 S C 1.455 175.999 174.600 -0.094 0.000 1.286 1280 S CA 1.375 59.526 58.200 -0.081 0.000 1.066 1280 S CB -0.585 62.600 63.200 -0.025 0.000 1.277 1280 S HN 0.311 nan 8.310 nan 0.000 0.661 1281 M N 0.498 120.029 119.600 -0.115 0.000 2.099 1281 M HA -0.009 4.467 4.480 -0.006 0.000 0.262 1281 M C 2.282 178.543 176.300 -0.064 0.000 1.067 1281 M CA 1.679 56.950 55.300 -0.047 0.000 1.124 1281 M CB -1.470 31.142 32.600 0.021 0.000 1.353 1281 M HN 0.391 nan 8.290 nan 0.000 0.410 1282 V N 0.855 120.651 119.914 -0.196 0.000 2.317 1282 V HA -0.281 3.835 4.120 -0.006 0.000 0.251 1282 V C 2.502 178.496 176.094 -0.166 0.000 1.065 1282 V CA 1.835 63.990 62.300 -0.241 0.000 1.049 1282 V CB -1.107 30.518 31.823 -0.330 0.000 0.651 1282 V HN 0.382 nan 8.190 nan 0.000 0.450 1283 L N 0.022 121.112 121.223 -0.221 0.000 2.027 1283 L HA -0.102 4.234 4.340 -0.006 0.000 0.206 1283 L C 2.378 179.223 176.870 -0.041 0.000 1.074 1283 L CA 1.930 56.723 54.840 -0.078 0.000 0.745 1283 L CB -0.752 41.215 42.059 -0.152 0.000 0.898 1283 L HN 0.181 nan 8.230 nan 0.000 0.433 1284 K N -0.695 119.669 120.400 -0.059 0.000 2.209 1284 K HA -0.110 4.207 4.320 -0.006 0.000 0.204 1284 K C 2.041 178.662 176.600 0.035 0.000 1.048 1284 K CA 1.421 57.691 56.287 -0.029 0.000 0.940 1284 K CB -0.198 32.295 32.500 -0.011 0.000 0.729 1284 K HN 0.381 nan 8.250 nan 0.000 0.451 1285 L N 0.359 121.636 121.223 0.090 0.000 2.095 1285 L HA -0.118 4.219 4.340 -0.006 0.000 0.204 1285 L C 2.760 179.739 176.870 0.183 0.000 1.080 1285 L CA 1.438 56.375 54.840 0.162 0.000 0.759 1285 L CB -0.780 41.434 42.059 0.259 0.000 0.914 1285 L HN 0.328 nan 8.230 nan 0.000 0.439 1286 T N -2.143 112.550 114.554 0.232 0.000 2.904 1286 T HA -0.112 4.235 4.350 -0.006 0.000 0.267 1286 T C 1.898 176.681 174.700 0.138 0.000 1.059 1286 T CA 0.668 62.913 62.100 0.242 0.000 1.137 1286 T CB -0.363 68.751 68.868 0.410 0.000 0.879 1286 T HN 0.168 nan 8.240 nan 0.000 0.467 1287 L N 0.412 121.700 121.223 0.108 0.000 2.083 1287 L HA 0.005 4.341 4.340 -0.006 0.000 0.209 1287 L C 3.154 180.001 176.870 -0.039 0.000 1.083 1287 L CA 1.426 56.285 54.840 0.033 0.000 0.752 1287 L CB -0.390 41.669 42.059 0.001 0.000 0.899 1287 L HN 0.260 nan 8.230 nan 0.000 0.433 1288 R N -0.487 120.009 120.500 -0.006 0.000 2.096 1288 R HA -0.180 4.157 4.340 -0.006 0.000 0.235 1288 R C 2.336 178.651 176.300 0.025 0.000 1.127 1288 R CA 1.914 58.012 56.100 -0.004 0.000 0.968 1288 R CB -1.220 29.104 30.300 0.040 0.000 0.861 1288 R HN 0.374 nan 8.270 nan 0.000 0.440 1289 C N -0.259 119.067 119.300 0.044 0.000 2.446 1289 C HA 0.111 4.568 4.460 -0.006 0.000 0.277 1289 C C 2.438 177.447 174.990 0.032 0.000 1.275 1289 C CA 0.491 59.534 59.018 0.042 0.000 1.727 1289 C CB -1.118 26.645 27.740 0.039 0.000 2.010 1289 C HN 0.619 nan 8.230 nan 0.000 0.486 1290 L N 0.130 121.348 121.223 -0.009 0.000 2.046 1290 L HA -0.110 4.226 4.340 -0.006 0.000 0.208 1290 L C 2.699 179.656 176.870 0.144 0.000 1.077 1290 L CA 1.565 56.408 54.840 0.005 0.000 0.747 1290 L CB -0.852 41.154 42.059 -0.090 0.000 0.896 1290 L HN 0.346 nan 8.230 nan 0.000 0.432 1291 V N -0.151 119.790 119.914 0.046 0.000 2.379 1291 V HA -0.228 3.889 4.120 -0.006 0.000 0.245 1291 V C 2.738 178.900 176.094 0.114 0.000 1.044 1291 V CA 1.567 63.898 62.300 0.052 0.000 1.036 1291 V CB -0.321 31.436 31.823 -0.110 0.000 0.664 1291 V HN 0.439 nan 8.190 nan 0.000 0.453 1292 R N -0.534 120.026 120.500 0.099 0.000 2.133 1292 R HA -0.195 4.142 4.340 -0.006 0.000 0.247 1292 R C 2.121 178.499 176.300 0.131 0.000 1.151 1292 R CA 2.453 58.619 56.100 0.111 0.000 0.971 1292 R CB -0.320 30.032 30.300 0.086 0.000 0.866 1292 R HN 0.534 nan 8.270 nan 0.000 0.447 1293 M N -1.072 118.632 119.600 0.173 0.000 2.619 1293 M HA 0.081 4.558 4.480 -0.006 0.000 0.251 1293 M C 1.047 177.533 176.300 0.310 0.000 1.106 1293 M CA 1.018 56.471 55.300 0.254 0.000 1.086 1293 M CB 0.733 33.545 32.600 0.353 0.000 1.465 1293 M HN 0.542 nan 8.290 nan 0.000 0.506 1294 G N -0.191 108.723 108.800 0.190 0.000 2.141 1294 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.242 1294 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.242 1294 G C -0.212 174.650 174.900 -0.063 0.000 0.982 1294 G CA -0.491 44.638 45.100 0.048 0.000 0.662 1294 G HN 0.453 nan 8.290 nan 0.000 0.527 1295 Y N 1.310 121.646 120.300 0.061 0.000 2.346 1295 Y HA 0.392 4.939 4.550 -0.005 0.000 0.330 1295 Y C 1.402 177.348 175.900 0.077 0.000 1.178 1295 Y CA 0.043 58.166 58.100 0.039 0.000 1.331 1295 Y CB 0.636 39.139 38.460 0.071 0.000 1.253 1295 Y HN 0.277 nan 8.280 nan 0.000 0.529 1296 Q N 3.879 123.844 119.800 0.276 0.000 2.293 1296 Q HA 0.323 4.660 4.340 -0.006 0.000 0.263 1296 Q C -0.506 175.712 176.000 0.364 0.000 1.002 1296 Q CA -0.494 55.498 55.803 0.315 0.000 0.910 1296 Q CB 0.457 29.344 28.738 0.248 0.000 1.185 1296 Q HN 0.713 nan 8.270 nan 0.000 0.401 1297 C N -0.268 119.276 119.300 0.407 0.000 3.256 1297 C HA 0.982 5.438 4.460 -0.006 0.000 0.361 1297 C C 0.109 175.387 174.990 0.481 0.000 1.665 1297 C CA -0.568 58.689 59.018 0.399 0.000 1.445 1297 C CB 1.802 29.722 27.740 0.300 0.000 2.144 1297 C HN 0.875 nan 8.230 nan 0.000 0.448 1298 T N -1.123 113.709 114.554 0.465 0.000 2.648 1298 T HA 0.628 4.975 4.350 -0.006 0.000 0.300 1298 T C -2.081 172.941 174.700 0.537 0.000 1.751 1298 T CA 0.040 62.414 62.100 0.456 0.000 0.959 1298 T CB 0.875 69.915 68.868 0.286 0.000 1.888 1298 T HN 1.942 nan 8.240 nan 0.000 0.480 1299 F N -1.201 118.847 119.950 0.163 0.000 2.773 1299 F HA 0.845 5.369 4.527 -0.006 0.000 0.314 1299 F C -0.521 175.294 175.800 0.024 0.000 1.160 1299 F CA -0.015 58.111 58.000 0.210 0.000 0.920 1299 F CB 1.068 40.185 39.000 0.194 0.000 1.323 1299 F HN 0.993 nan 8.300 nan 0.000 0.457 1300 G N 0.365 109.194 108.800 0.050 0.000 2.495 1300 G HA2 0.537 4.493 3.960 -0.006 0.000 0.294 1300 G HA3 0.537 4.493 3.960 -0.006 0.000 0.294 1300 G C -2.673 172.389 174.900 0.269 0.000 1.397 1300 G CA -0.732 44.291 45.100 -0.129 0.000 0.790 1300 G HN 0.854 nan 8.290 nan 0.000 0.486 1301 V N 0.557 120.585 119.914 0.190 0.000 2.540 1301 V HA 0.656 4.772 4.120 -0.006 0.000 0.302 1301 V C -0.236 175.972 176.094 0.189 0.000 1.035 1301 V CA -0.529 61.884 62.300 0.189 0.000 0.873 1301 V CB 1.350 33.257 31.823 0.139 0.000 0.992 1301 V HN 0.605 nan 8.190 nan 0.000 0.428 1302 L N 3.703 125.015 121.223 0.149 0.000 2.342 1302 L HA 0.639 4.976 4.340 -0.006 0.000 0.271 1302 L C -0.549 176.376 176.870 0.092 0.000 1.008 1302 L CA -0.818 54.109 54.840 0.145 0.000 0.818 1302 L CB 2.127 44.230 42.059 0.072 0.000 1.296 1302 L HN 0.610 nan 8.230 nan 0.000 0.427 1303 Q N 1.436 121.301 119.800 0.109 0.000 2.372 1303 Q HA 0.443 4.780 4.340 -0.006 0.000 0.259 1303 Q C 0.343 176.323 176.000 -0.034 0.000 0.993 1303 Q CA 0.007 55.796 55.803 -0.024 0.000 0.854 1303 Q CB 1.898 30.574 28.738 -0.103 0.000 1.231 1303 Q HN 0.701 nan 8.270 nan 0.000 0.462 1304 A N 4.039 126.808 122.820 -0.085 0.000 1.884 1304 A HA -0.199 4.117 4.320 -0.006 0.000 0.219 1304 A C 1.825 179.278 177.584 -0.218 0.000 1.197 1304 A CA 2.106 54.099 52.037 -0.073 0.000 0.637 1304 A CB -1.586 17.336 19.000 -0.131 0.000 0.827 1304 A HN 1.000 nan 8.150 nan 0.000 0.450 1305 G N -0.971 107.461 108.800 -0.614 0.000 2.545 1305 G HA2 -0.329 3.628 3.960 -0.006 0.000 0.222 1305 G HA3 -0.329 3.628 3.960 -0.006 0.000 0.222 1305 G C 1.459 175.865 174.900 -0.823 0.000 1.126 1305 G CA 1.130 45.539 45.100 -1.152 0.000 0.754 1305 G HN 0.711 nan 8.290 nan 0.000 0.583 1306 Q N -0.959 118.450 119.800 -0.652 0.000 2.515 1306 Q HA 0.026 4.363 4.340 -0.006 0.000 0.212 1306 Q C 0.659 176.243 176.000 -0.693 0.000 0.970 1306 Q CA 0.463 55.918 55.803 -0.580 0.000 0.941 1306 Q CB 0.069 28.424 28.738 -0.638 0.000 0.998 1306 Q HN 0.786 nan 8.270 nan 0.000 0.518 1307 Y N -1.262 118.948 120.300 -0.149 0.000 2.612 1307 Y HA 0.342 4.889 4.550 -0.006 0.000 0.250 1307 Y C 0.921 176.733 175.900 -0.146 0.000 1.175 1307 Y CA -0.083 57.993 58.100 -0.040 0.000 1.205 1307 Y CB 1.556 39.984 38.460 -0.053 0.000 1.201 1307 Y HN 0.051 nan 8.280 nan 0.000 0.532 1308 G N 0.448 108.973 108.800 -0.460 0.000 2.337 1308 G HA2 -0.056 3.900 3.960 -0.006 0.000 0.134 1308 G HA3 -0.056 3.900 3.960 -0.006 0.000 0.134 1308 G C -1.097 173.618 174.900 -0.309 0.000 1.052 1308 G CA -0.385 44.288 45.100 -0.712 0.000 0.737 1308 G HN 0.079 nan 8.290 nan 0.000 0.485 1309 V N -0.263 119.451 119.914 -0.334 0.000 2.925 1309 V HA 0.820 4.937 4.120 -0.006 0.000 0.311 1309 V C 0.478 176.476 176.094 -0.160 0.000 1.104 1309 V CA -0.095 62.065 62.300 -0.234 0.000 0.954 1309 V CB 2.164 33.902 31.823 -0.142 0.000 1.022 1309 V HN 1.267 nan 8.190 nan 0.000 0.427 1310 A N 4.271 127.043 122.820 -0.080 0.000 3.260 1310 A HA 0.604 4.921 4.320 -0.006 0.000 0.268 1310 A C -0.031 177.765 177.584 0.352 0.000 1.491 1310 A CA 0.003 52.154 52.037 0.190 0.000 1.181 1310 A CB -0.276 18.838 19.000 0.190 0.000 1.137 1310 A HN 0.714 nan 8.150 nan 0.000 0.642 1311 Q N 0.343 120.276 119.800 0.222 0.000 2.386 1311 Q HA 0.370 4.707 4.340 -0.006 0.000 0.274 1311 Q C -1.146 174.890 176.000 0.060 0.000 1.011 1311 Q CA -0.429 55.513 55.803 0.231 0.000 0.867 1311 Q CB 1.795 30.580 28.738 0.078 0.000 1.409 1311 Q HN 0.382 nan 8.270 nan 0.000 0.395 1312 T N 2.301 116.921 114.554 0.111 0.000 2.817 1312 T HA 0.607 4.954 4.350 -0.006 0.000 0.293 1312 T C -0.673 174.027 174.700 -0.000 0.000 0.964 1312 T CA -0.222 61.879 62.100 0.002 0.000 1.085 1312 T CB 0.574 69.473 68.868 0.052 0.000 0.921 1312 T HN 0.654 nan 8.240 nan 0.000 0.502 1313 R N 3.501 123.963 120.500 -0.064 0.000 2.879 1313 R HA 0.241 4.578 4.340 -0.006 0.000 0.291 1313 R C -1.142 175.131 176.300 -0.045 0.000 1.246 1313 R CA -0.523 55.554 56.100 -0.038 0.000 1.083 1313 R CB 0.812 31.081 30.300 -0.052 0.000 1.274 1313 R HN 0.720 nan 8.270 nan 0.000 0.393 1314 R N 3.527 124.021 120.500 -0.010 0.000 2.346 1314 R HA 0.513 4.850 4.340 -0.006 0.000 0.311 1314 R C -0.355 175.950 176.300 0.009 0.000 0.983 1314 R CA -0.717 55.386 56.100 0.005 0.000 0.880 1314 R CB 1.787 32.102 30.300 0.026 0.000 1.100 1314 R HN 0.389 nan 8.270 nan 0.000 0.453 1315 R N 1.151 121.657 120.500 0.010 0.000 2.750 1315 R HA 0.506 4.843 4.340 -0.006 0.000 0.281 1315 R C -0.981 175.346 176.300 0.044 0.000 0.972 1315 R CA -1.013 55.091 56.100 0.006 0.000 0.912 1315 R CB 2.251 32.529 30.300 -0.037 0.000 1.187 1315 R HN 0.569 nan 8.270 nan 0.000 0.464 1316 A N 3.719 126.571 122.820 0.053 0.000 2.289 1316 A HA 0.508 4.825 4.320 -0.006 0.000 0.298 1316 A C 0.199 177.810 177.584 0.045 0.000 1.208 1316 A CA -0.637 51.469 52.037 0.115 0.000 0.845 1316 A CB 0.102 19.203 19.000 0.168 0.000 1.125 1316 A HN 0.775 nan 8.150 nan 0.000 0.517 1317 I N 1.132 121.782 120.570 0.132 0.000 2.530 1317 I HA 0.831 4.998 4.170 -0.006 0.000 0.297 1317 I C -0.842 175.433 176.117 0.264 0.000 1.011 1317 I CA -1.192 60.158 61.300 0.083 0.000 1.107 1317 I CB 1.928 39.905 38.000 -0.038 0.000 1.285 1317 I HN 0.569 nan 8.210 nan 0.000 0.436 1318 I N 5.764 126.470 120.570 0.228 0.000 2.436 1318 I HA 0.593 4.760 4.170 -0.006 0.000 0.289 1318 I C -1.654 174.690 176.117 0.377 0.000 1.010 1318 I CA -0.553 60.976 61.300 0.383 0.000 1.098 1318 I CB 1.773 39.999 38.000 0.376 0.000 1.266 1318 I HN 0.623 nan 8.210 nan 0.000 0.434 1319 L N 6.873 128.356 121.223 0.433 0.000 2.317 1319 L HA 0.952 5.289 4.340 -0.006 0.000 0.281 1319 L C 0.212 177.348 176.870 0.443 0.000 1.024 1319 L CA -0.757 54.329 54.840 0.409 0.000 0.810 1319 L CB 1.512 43.797 42.059 0.377 0.000 1.240 1319 L HN 0.908 nan 8.230 nan 0.000 0.427 1320 A N 2.641 125.746 122.820 0.476 0.000 2.387 1320 A HA 1.001 5.318 4.320 -0.006 0.000 0.303 1320 A C -1.017 176.811 177.584 0.407 0.000 1.145 1320 A CA -0.494 51.757 52.037 0.356 0.000 0.801 1320 A CB 2.004 21.004 19.000 0.001 0.000 1.342 1320 A HN 0.801 nan 8.150 nan 0.000 0.440 1321 A N 0.065 123.140 122.820 0.425 0.000 2.500 1321 A HA 0.718 5.035 4.320 -0.006 0.000 0.291 1321 A C -0.004 177.671 177.584 0.152 0.000 1.048 1321 A CA 0.076 52.240 52.037 0.211 0.000 0.791 1321 A CB 0.295 19.351 19.000 0.093 0.000 1.309 1321 A HN 2.548 nan 8.150 nan 0.000 0.397 1322 A N 4.248 127.080 122.820 0.021 0.000 2.615 1322 A HA 0.435 4.752 4.320 -0.006 0.000 0.230 1322 A C -0.984 176.314 177.584 -0.477 0.000 1.062 1322 A CA 0.237 52.012 52.037 -0.436 0.000 0.758 1322 A CB -0.481 18.416 19.000 -0.171 0.000 0.995 1322 A HN 0.603 nan 8.150 nan 0.000 0.511 1323 P HA -0.252 nan 4.420 nan 0.000 0.219 1323 P C 1.633 178.790 177.300 -0.238 0.000 1.159 1323 P CA 2.516 65.329 63.100 -0.477 0.000 0.944 1323 P CB -0.148 31.164 31.700 -0.646 0.000 0.792 1324 G N -1.104 107.573 108.800 -0.205 0.000 2.527 1324 G HA2 -0.151 3.806 3.960 -0.006 0.000 0.219 1324 G HA3 -0.151 3.806 3.960 -0.006 0.000 0.219 1324 G C 0.641 175.510 174.900 -0.052 0.000 1.117 1324 G CA 0.541 45.589 45.100 -0.088 0.000 0.759 1324 G HN 0.286 nan 8.290 nan 0.000 0.556 1325 E N -0.056 120.088 120.200 -0.093 0.000 2.700 1325 E HA 0.416 4.763 4.350 -0.006 0.000 0.253 1325 E C -0.416 176.208 176.600 0.040 0.000 1.175 1325 E CA -0.510 55.863 56.400 -0.045 0.000 1.010 1325 E CB 0.666 30.208 29.700 -0.263 0.000 1.284 1325 E HN 0.039 nan 8.360 nan 0.000 0.557 1326 K N 1.062 121.547 120.400 0.141 0.000 2.449 1326 K HA 0.278 4.595 4.320 -0.006 0.000 0.257 1326 K C -0.425 176.326 176.600 0.252 0.000 0.989 1326 K CA -0.770 55.618 56.287 0.168 0.000 0.916 1326 K CB 1.038 33.630 32.500 0.154 0.000 1.136 1326 K HN 0.202 nan 8.250 nan 0.000 0.439 1327 L N 5.186 126.542 121.223 0.222 0.000 2.706 1327 L HA -0.026 4.311 4.340 -0.006 0.000 0.282 1327 L C -2.309 174.710 176.870 0.249 0.000 1.219 1327 L CA -0.377 54.626 54.840 0.271 0.000 0.935 1327 L CB -0.094 42.117 42.059 0.252 0.000 1.204 1327 L HN 0.416 nan 8.230 nan 0.000 0.491 1328 P HA 0.225 nan 4.420 nan 0.000 0.274 1328 P C -0.515 176.909 177.300 0.207 0.000 1.231 1328 P CA -0.446 62.767 63.100 0.189 0.000 0.790 1328 P CB 0.638 32.415 31.700 0.129 0.000 0.951 1329 L N 0.880 122.197 121.223 0.156 0.000 2.482 1329 L HA 0.342 4.679 4.340 -0.006 0.000 0.242 1329 L C 0.643 177.702 176.870 0.315 0.000 1.210 1329 L CA -0.457 54.492 54.840 0.181 0.000 0.819 1329 L CB -0.007 42.103 42.059 0.085 0.000 1.203 1329 L HN 0.251 nan 8.230 nan 0.000 0.495 1330 F N 0.517 120.440 119.950 -0.045 0.000 2.397 1330 F HA 0.313 4.837 4.527 -0.005 0.000 0.331 1330 F C -1.704 174.094 175.800 -0.003 0.000 1.090 1330 F CA -2.206 55.776 58.000 -0.031 0.000 1.065 1330 F CB 1.452 40.426 39.000 -0.043 0.000 1.184 1330 F HN 0.198 nan 8.300 nan 0.000 0.499 1331 P HA -0.028 nan 4.420 nan 0.000 0.267 1331 P C -0.914 176.554 177.300 0.280 0.000 1.209 1331 P CA 0.051 63.223 63.100 0.120 0.000 0.763 1331 P CB 0.552 32.226 31.700 -0.042 0.000 0.816 1332 E N 4.793 125.118 120.200 0.208 0.000 2.384 1332 E HA 0.136 4.483 4.350 -0.006 0.000 0.266 1332 E C -1.996 174.682 176.600 0.130 0.000 1.012 1332 E CA -1.508 54.983 56.400 0.152 0.000 0.901 1332 E CB -0.306 29.448 29.700 0.091 0.000 0.967 1332 E HN 0.367 nan 8.360 nan 0.000 0.435 1333 P HA -0.036 nan 4.420 nan 0.000 0.266 1333 P C 0.321 177.485 177.300 -0.228 0.000 1.193 1333 P CA 0.342 63.214 63.100 -0.380 0.000 0.770 1333 P CB 0.578 32.090 31.700 -0.313 0.000 0.836 1334 L N 0.899 122.004 121.223 -0.196 0.000 2.445 1334 L HA 0.137 4.474 4.340 -0.006 0.000 0.207 1334 L C 1.025 177.855 176.870 -0.068 0.000 1.053 1334 L CA 0.455 55.299 54.840 0.007 0.000 0.841 1334 L CB -0.174 42.079 42.059 0.322 0.000 1.074 1334 L HN 0.450 nan 8.230 nan 0.000 0.479 1335 H N -0.128 118.885 119.070 -0.094 0.000 2.499 1335 H HA 0.391 4.944 4.556 -0.005 0.000 0.340 1335 H C -0.573 174.709 175.328 -0.076 0.000 1.148 1335 H CA -0.990 55.042 56.048 -0.027 0.000 1.215 1335 H CB 2.259 32.040 29.762 0.031 0.000 1.529 1335 H HN -0.156 nan 8.280 nan 0.000 0.510 1336 V N 0.435 120.388 119.914 0.064 0.000 2.924 1336 V HA 0.388 4.505 4.120 -0.006 0.000 0.305 1336 V C -0.324 175.889 176.094 0.198 0.000 1.073 1336 V CA -0.249 62.079 62.300 0.047 0.000 1.098 1336 V CB 0.464 32.280 31.823 -0.011 0.000 1.000 1336 V HN 0.602 nan 8.190 nan 0.000 0.484 1337 F N 1.203 121.121 119.950 -0.055 0.000 2.641 1337 F HA 0.698 5.222 4.527 -0.006 0.000 0.308 1337 F C 0.395 176.167 175.800 -0.048 0.000 1.105 1337 F CA -0.446 57.514 58.000 -0.067 0.000 0.964 1337 F CB 1.501 40.420 39.000 -0.135 0.000 1.294 1337 F HN 1.005 nan 8.300 nan 0.000 0.442 1338 A N 5.266 127.775 122.820 -0.518 0.000 2.580 1338 A HA 0.189 4.505 4.320 -0.006 0.000 0.244 1338 A C -2.120 175.432 177.584 -0.052 0.000 1.045 1338 A CA -0.448 51.448 52.037 -0.235 0.000 0.761 1338 A CB -0.466 18.409 19.000 -0.209 0.000 0.962 1338 A HN 0.561 nan 8.150 nan 0.000 0.512 1339 P HA -0.075 nan 4.420 nan 0.000 0.220 1339 P C 1.997 179.319 177.300 0.037 0.000 1.152 1339 P CA 1.755 64.871 63.100 0.028 0.000 0.812 1339 P CB 0.008 31.718 31.700 0.016 0.000 0.792 1340 R N 0.505 121.025 120.500 0.033 0.000 2.170 1340 R HA 0.008 4.344 4.340 -0.006 0.000 0.242 1340 R C 2.047 178.382 176.300 0.057 0.000 1.145 1340 R CA 2.040 58.166 56.100 0.044 0.000 0.984 1340 R CB -2.150 28.181 30.300 0.052 0.000 0.869 1340 R HN 0.370 nan 8.270 nan 0.000 0.455 1341 A N -1.860 121.001 122.820 0.069 0.000 2.390 1341 A HA 0.325 4.641 4.320 -0.006 0.000 0.232 1341 A C 1.069 178.714 177.584 0.102 0.000 1.233 1341 A CA 0.427 52.520 52.037 0.094 0.000 0.907 1341 A CB -0.124 18.946 19.000 0.117 0.000 0.967 1341 A HN 0.505 nan 8.150 nan 0.000 0.512 1342 C N 0.988 120.341 119.300 0.087 0.000 2.395 1342 C HA 0.300 4.757 4.460 -0.006 0.000 0.315 1342 C C 0.533 175.553 174.990 0.050 0.000 1.399 1342 C CA -0.455 58.604 59.018 0.069 0.000 1.788 1342 C CB -1.827 25.955 27.740 0.070 0.000 2.564 1342 C HN 0.542 nan 8.230 nan 0.000 0.552 1343 Q N 0.855 120.684 119.800 0.049 0.000 2.452 1343 Q HA 0.280 4.617 4.340 -0.006 0.000 0.230 1343 Q C 0.826 176.857 176.000 0.052 0.000 1.180 1343 Q CA 0.176 56.006 55.803 0.044 0.000 0.914 1343 Q CB 0.431 29.194 28.738 0.041 0.000 1.408 1343 Q HN 0.704 nan 8.270 nan 0.000 0.520 1344 L N 0.195 121.449 121.223 0.051 0.000 2.463 1344 L HA 0.108 4.445 4.340 -0.006 0.000 0.219 1344 L C 0.873 177.780 176.870 0.063 0.000 1.088 1344 L CA -0.107 54.770 54.840 0.061 0.000 0.849 1344 L CB 0.059 42.154 42.059 0.060 0.000 1.012 1344 L HN 0.401 nan 8.230 nan 0.000 0.468 1345 S N 0.729 116.462 115.700 0.056 0.000 2.564 1345 S HA 0.355 4.822 4.470 -0.006 0.000 0.278 1345 S C -0.301 174.362 174.600 0.106 0.000 1.333 1345 S CA -0.630 57.611 58.200 0.067 0.000 1.048 1345 S CB 1.940 65.168 63.200 0.047 0.000 0.900 1345 S HN 0.053 nan 8.310 nan 0.000 0.505 1346 V N 2.537 122.555 119.914 0.173 0.000 2.769 1346 V HA 0.798 4.915 4.120 -0.006 0.000 0.312 1346 V C -1.053 175.208 176.094 0.278 0.000 1.061 1346 V CA -0.768 61.677 62.300 0.242 0.000 0.931 1346 V CB 1.944 33.993 31.823 0.377 0.000 1.010 1346 V HN 0.874 nan 8.190 nan 0.000 0.433 1347 V N 6.388 126.429 119.914 0.211 0.000 2.376 1347 V HA 0.560 4.677 4.120 -0.006 0.000 0.287 1347 V C -0.258 175.947 176.094 0.186 0.000 1.015 1347 V CA -0.393 62.004 62.300 0.163 0.000 0.834 1347 V CB 1.365 33.223 31.823 0.059 0.000 1.001 1347 V HN 0.974 nan 8.190 nan 0.000 0.428 1348 V N 3.596 123.677 119.914 0.279 0.000 2.540 1348 V HA 0.591 4.708 4.120 -0.006 0.000 0.302 1348 V C 0.049 176.252 176.094 0.181 0.000 1.035 1348 V CA -0.306 62.129 62.300 0.225 0.000 0.873 1348 V CB 1.531 33.507 31.823 0.255 0.000 0.992 1348 V HN 0.951 nan 8.190 nan 0.000 0.428 1349 D N 4.144 124.603 120.400 0.099 0.000 2.689 1349 D HA -0.188 4.448 4.640 -0.006 0.000 0.237 1349 D C 0.216 176.538 176.300 0.037 0.000 1.148 1349 D CA 1.623 55.663 54.000 0.066 0.000 0.656 1349 D CB -1.086 39.763 40.800 0.082 0.000 1.050 1349 D HN 1.113 nan 8.370 nan 0.000 0.426 1350 D N -1.029 119.382 120.400 0.018 0.000 2.699 1350 D HA -0.219 4.418 4.640 -0.006 0.000 0.239 1350 D C -0.092 176.169 176.300 -0.065 0.000 1.136 1350 D CA 1.184 55.173 54.000 -0.018 0.000 0.668 1350 D CB -0.689 40.101 40.800 -0.017 0.000 1.060 1350 D HN 0.521 nan 8.370 nan 0.000 0.429 1351 K N 0.034 120.367 120.400 -0.111 0.000 2.501 1351 K HA 0.341 4.658 4.320 -0.006 0.000 0.252 1351 K C -0.385 175.944 176.600 -0.452 0.000 0.934 1351 K CA -0.889 55.215 56.287 -0.305 0.000 0.797 1351 K CB 2.390 34.647 32.500 -0.404 0.000 1.270 1351 K HN -0.124 nan 8.250 nan 0.000 0.431 1352 K N 3.217 123.362 120.400 -0.426 0.000 2.276 1352 K HA 0.298 4.615 4.320 -0.006 0.000 0.285 1352 K C -1.190 175.139 176.600 -0.452 0.000 1.062 1352 K CA -0.234 55.870 56.287 -0.304 0.000 0.918 1352 K CB 0.409 32.813 32.500 -0.161 0.000 1.055 1352 K HN 0.323 nan 8.250 nan 0.000 0.477 1353 F N 2.983 122.964 119.950 0.051 0.000 2.480 1353 F HA 0.377 4.900 4.527 -0.006 0.000 0.329 1353 F C 0.204 175.984 175.800 -0.034 0.000 1.091 1353 F CA -0.827 57.187 58.000 0.024 0.000 0.972 1353 F CB 1.720 40.784 39.000 0.106 0.000 1.150 1353 F HN 0.191 nan 8.300 nan 0.000 0.467 1354 V N -1.102 118.901 119.914 0.148 0.000 3.102 1354 V HA 0.826 4.943 4.120 -0.006 0.000 0.312 1354 V C -0.363 175.705 176.094 -0.043 0.000 1.135 1354 V CA -1.149 61.181 62.300 0.050 0.000 1.022 1354 V CB 1.360 33.234 31.823 0.085 0.000 1.056 1354 V HN 0.768 nan 8.190 nan 0.000 0.436 1355 S N 1.038 116.628 115.700 -0.184 0.000 2.632 1355 S HA 0.231 4.698 4.470 -0.006 0.000 0.267 1355 S C 0.842 175.188 174.600 -0.425 0.000 1.276 1355 S CA 0.064 58.012 58.200 -0.419 0.000 0.998 1355 S CB 0.356 63.273 63.200 -0.472 0.000 0.953 1355 S HN 1.177 nan 8.310 nan 0.000 0.547 1356 N N 0.251 118.491 118.700 -0.767 0.000 2.588 1356 N HA -0.079 4.658 4.740 -0.006 0.000 0.190 1356 N C 0.101 175.403 175.510 -0.346 0.000 1.094 1356 N CA 0.397 52.857 53.050 -0.983 0.000 0.921 1356 N CB -0.865 37.139 38.487 -0.806 0.000 0.959 1356 N HN 0.649 nan 8.380 nan 0.000 0.448 1357 I N 0.772 121.241 120.570 -0.167 0.000 2.906 1357 I HA -0.162 4.005 4.170 -0.006 0.000 0.301 1357 I C 0.875 176.988 176.117 -0.005 0.000 1.221 1357 I CA 0.448 61.731 61.300 -0.027 0.000 1.435 1357 I CB 0.609 38.627 38.000 0.031 0.000 1.345 1357 I HN 0.264 nan 8.210 nan 0.000 0.558 1358 T N 5.064 119.628 114.554 0.018 0.000 3.021 1358 T HA 0.061 4.408 4.350 -0.006 0.000 0.245 1358 T C 0.997 175.719 174.700 0.038 0.000 1.028 1358 T CA 0.236 62.357 62.100 0.035 0.000 1.139 1358 T CB 0.131 69.025 68.868 0.044 0.000 0.884 1358 T HN 0.458 nan 8.240 nan 0.000 0.457 1359 R N 2.580 123.101 120.500 0.036 0.000 3.152 1359 R HA 0.153 4.490 4.340 -0.006 0.000 0.209 1359 R C 0.665 176.964 176.300 -0.001 0.000 1.649 1359 R CA -0.009 56.104 56.100 0.022 0.000 1.185 1359 R CB -0.444 29.836 30.300 -0.033 0.000 1.258 1359 R HN 0.417 nan 8.270 nan 0.000 0.656 1360 L N 0.308 121.540 121.223 0.015 0.000 2.127 1360 L HA -0.132 4.205 4.340 -0.006 0.000 0.203 1360 L C 2.392 179.263 176.870 0.001 0.000 1.080 1360 L CA 1.308 56.154 54.840 0.009 0.000 0.768 1360 L CB -0.257 41.811 42.059 0.015 0.000 0.924 1360 L HN 0.491 nan 8.230 nan 0.000 0.444 1361 S N -2.237 113.467 115.700 0.007 0.000 2.384 1361 S HA 0.049 4.516 4.470 -0.006 0.000 0.217 1361 S C 1.252 175.835 174.600 -0.028 0.000 1.041 1361 S CA 0.112 58.312 58.200 0.001 0.000 0.948 1361 S CB 0.048 63.255 63.200 0.011 0.000 0.872 1361 S HN 0.193 nan 8.310 nan 0.000 0.512 1362 S N -0.368 115.313 115.700 -0.030 0.000 2.745 1362 S HA 0.813 5.280 4.470 -0.006 0.000 0.292 1362 S C -0.121 174.196 174.600 -0.472 0.000 1.127 1362 S CA -0.102 57.994 58.200 -0.172 0.000 1.007 1362 S CB 1.133 64.316 63.200 -0.029 0.000 1.165 1362 S HN 0.957 nan 8.310 nan 0.000 0.544 1363 G N 0.177 108.483 108.800 -0.824 0.000 2.660 1363 G HA2 0.496 4.452 3.960 -0.006 0.000 0.290 1363 G HA3 0.496 4.452 3.960 -0.006 0.000 0.290 1363 G C -2.857 171.367 174.900 -1.127 0.000 1.432 1363 G CA -0.891 43.640 45.100 -0.949 0.000 0.807 1363 G HN 0.397 nan 8.290 nan 0.000 0.485 1364 P HA 0.094 nan 4.420 nan 0.000 0.216 1364 P C 0.006 176.866 177.300 -0.732 0.000 1.153 1364 P CA 0.977 63.544 63.100 -0.889 0.000 0.848 1364 P CB 0.104 31.187 31.700 -1.027 0.000 0.787 1365 F N -1.370 118.412 119.950 -0.281 0.000 2.541 1365 F HA 0.418 4.942 4.527 -0.005 0.000 0.331 1365 F C 1.306 176.979 175.800 -0.212 0.000 1.057 1365 F CA -1.533 56.281 58.000 -0.310 0.000 0.975 1365 F CB 0.914 39.493 39.000 -0.701 0.000 1.246 1365 F HN -0.384 nan 8.300 nan 0.000 0.484 1366 R N -0.578 119.989 120.500 0.111 0.000 2.707 1366 R HA 0.351 4.688 4.340 -0.006 0.000 0.270 1366 R C -0.109 176.326 176.300 0.225 0.000 1.083 1366 R CA -0.655 55.526 56.100 0.136 0.000 1.182 1366 R CB 0.408 30.801 30.300 0.156 0.000 1.084 1366 R HN 0.624 nan 8.270 nan 0.000 0.528 1367 T N 1.038 115.714 114.554 0.204 0.000 2.919 1367 T HA 0.201 4.548 4.350 -0.006 0.000 0.302 1367 T C 0.407 175.229 174.700 0.203 0.000 1.031 1367 T CA -0.682 61.563 62.100 0.243 0.000 1.127 1367 T CB 0.254 69.228 68.868 0.176 0.000 0.952 1367 T HN 0.353 nan 8.240 nan 0.000 0.540 1368 I N 5.713 126.375 120.570 0.155 0.000 2.352 1368 I HA 0.221 4.388 4.170 -0.006 0.000 0.290 1368 I C 1.406 177.553 176.117 0.050 0.000 1.036 1368 I CA -0.262 61.047 61.300 0.015 0.000 1.336 1368 I CB 0.436 38.279 38.000 -0.263 0.000 1.407 1368 I HN 0.820 nan 8.210 nan 0.000 0.497 1369 T N 2.667 117.250 114.554 0.049 0.000 2.862 1369 T HA 0.403 4.749 4.350 -0.006 0.000 0.276 1369 T C 1.370 176.144 174.700 0.123 0.000 0.974 1369 T CA -0.761 61.393 62.100 0.090 0.000 0.966 1369 T CB 1.724 70.626 68.868 0.057 0.000 1.072 1369 T HN 0.239 nan 8.240 nan 0.000 0.538 1370 V N 0.685 120.690 119.914 0.153 0.000 2.594 1370 V HA -0.104 4.013 4.120 -0.006 0.000 0.253 1370 V C 2.891 179.184 176.094 0.332 0.000 1.069 1370 V CA 1.865 64.283 62.300 0.196 0.000 1.082 1370 V CB -1.101 30.685 31.823 -0.060 0.000 0.680 1370 V HN 0.878 nan 8.190 nan 0.000 0.469 1371 R N 0.408 121.112 120.500 0.341 0.000 2.061 1371 R HA -0.166 4.171 4.340 -0.006 0.000 0.230 1371 R C 2.085 178.451 176.300 0.110 0.000 1.140 1371 R CA 2.029 58.285 56.100 0.261 0.000 0.940 1371 R CB -0.464 29.768 30.300 -0.113 0.000 0.839 1371 R HN 0.426 nan 8.270 nan 0.000 0.429 1372 D N -0.045 120.389 120.400 0.058 0.000 2.203 1372 D HA -0.176 4.461 4.640 -0.006 0.000 0.199 1372 D C 1.839 178.298 176.300 0.265 0.000 0.997 1372 D CA 2.138 56.207 54.000 0.115 0.000 0.863 1372 D CB -0.277 40.578 40.800 0.092 0.000 0.928 1372 D HN 0.541 nan 8.370 nan 0.000 0.458 1373 T N -1.848 112.864 114.554 0.262 0.000 2.976 1373 T HA -0.024 4.323 4.350 -0.006 0.000 0.257 1373 T C 1.748 176.692 174.700 0.406 0.000 1.051 1373 T CA 0.764 63.123 62.100 0.431 0.000 1.141 1373 T CB -0.050 69.007 68.868 0.315 0.000 0.881 1373 T HN 0.328 nan 8.240 nan 0.000 0.461 1374 M N 0.648 120.476 119.600 0.380 0.000 2.540 1374 M HA 0.490 4.967 4.480 -0.006 0.000 0.404 1374 M C 1.467 178.007 176.300 0.399 0.000 1.133 1374 M CA -0.037 55.494 55.300 0.385 0.000 0.900 1374 M CB 0.490 33.343 32.600 0.423 0.000 1.540 1374 M HN 0.178 nan 8.290 nan 0.000 0.539 1375 S N 0.600 116.471 115.700 0.284 0.000 2.447 1375 S HA -0.162 4.305 4.470 -0.006 0.000 0.233 1375 S C 1.371 176.033 174.600 0.103 0.000 1.006 1375 S CA 1.491 59.750 58.200 0.098 0.000 0.957 1375 S CB -0.577 62.515 63.200 -0.181 0.000 0.773 1375 S HN 0.726 nan 8.310 nan 0.000 0.507 1376 D N 1.230 121.706 120.400 0.127 0.000 2.349 1376 D HA 0.051 4.687 4.640 -0.006 0.000 0.215 1376 D C 0.493 176.856 176.300 0.105 0.000 1.016 1376 D CA -0.114 53.944 54.000 0.097 0.000 0.870 1376 D CB -0.375 40.469 40.800 0.073 0.000 0.917 1376 D HN 0.435 nan 8.370 nan 0.000 0.524 1377 L N 1.237 122.531 121.223 0.118 0.000 2.326 1377 L HA 0.359 4.696 4.340 -0.006 0.000 0.278 1377 L C -2.066 174.792 176.870 -0.021 0.000 1.092 1377 L CA -2.034 52.797 54.840 -0.015 0.000 0.810 1377 L CB 0.418 42.409 42.059 -0.113 0.000 1.153 1377 L HN -0.292 nan 8.230 nan 0.000 0.439 1378 P HA -0.041 nan 4.420 nan 0.000 0.264 1378 P C -0.278 177.053 177.300 0.052 0.000 1.183 1378 P CA -0.109 62.979 63.100 -0.020 0.000 0.763 1378 P CB 0.412 32.084 31.700 -0.047 0.000 0.807 1379 E N 3.381 123.611 120.200 0.051 0.000 2.481 1379 E HA 0.093 4.440 4.350 -0.006 0.000 0.263 1379 E C -0.152 176.483 176.600 0.058 0.000 0.992 1379 E CA -0.036 56.384 56.400 0.034 0.000 0.938 1379 E CB 0.121 29.818 29.700 -0.006 0.000 0.933 1379 E HN 0.400 nan 8.360 nan 0.000 0.453 1380 I N -0.420 120.173 120.570 0.038 0.000 3.264 1380 I HA 0.426 4.593 4.170 -0.006 0.000 0.315 1380 I C -1.000 175.099 176.117 -0.030 0.000 1.154 1380 I CA -1.279 60.035 61.300 0.024 0.000 0.962 1380 I CB 2.074 40.097 38.000 0.039 0.000 1.265 1380 I HN 0.351 nan 8.210 nan 0.000 0.463 1381 Q N 2.039 121.827 119.800 -0.020 0.000 2.301 1381 Q HA 0.316 4.653 4.340 -0.006 0.000 0.267 1381 Q C -0.697 175.295 176.000 -0.012 0.000 1.035 1381 Q CA -0.825 54.968 55.803 -0.017 0.000 0.856 1381 Q CB 1.718 30.453 28.738 -0.004 0.000 1.337 1381 Q HN 0.698 nan 8.270 nan 0.000 0.450 1382 N N 0.149 118.852 118.700 0.005 0.000 2.294 1382 N HA -0.126 4.611 4.740 -0.006 0.000 0.263 1382 N C 0.709 176.223 175.510 0.007 0.000 1.281 1382 N CA 1.703 54.761 53.050 0.013 0.000 0.846 1382 N CB 0.220 38.727 38.487 0.034 0.000 1.061 1382 N HN 0.854 nan 8.380 nan 0.000 0.478 1383 G N 1.951 110.752 108.800 0.002 0.000 2.199 1383 G HA2 -0.284 3.673 3.960 -0.006 0.000 0.254 1383 G HA3 -0.284 3.673 3.960 -0.006 0.000 0.254 1383 G C 0.264 175.159 174.900 -0.008 0.000 0.982 1383 G CA 0.342 45.443 45.100 0.001 0.000 0.632 1383 G HN 1.074 nan 8.290 nan 0.000 0.529 1384 A N -0.013 122.797 122.820 -0.016 0.000 2.581 1384 A HA 0.527 4.843 4.320 -0.006 0.000 0.257 1384 A C 1.421 178.990 177.584 -0.025 0.000 1.022 1384 A CA 2.016 54.041 52.037 -0.021 0.000 0.812 1384 A CB -0.203 18.778 19.000 -0.032 0.000 0.918 1384 A HN 2.071 nan 8.150 nan 0.000 0.516 1385 S N 2.576 118.265 115.700 -0.019 0.000 2.730 1385 S HA 0.206 4.673 4.470 -0.006 0.000 0.244 1385 S C 0.600 175.186 174.600 -0.024 0.000 1.022 1385 S CA -0.483 57.703 58.200 -0.023 0.000 1.014 1385 S CB 0.024 63.212 63.200 -0.020 0.000 0.963 1385 S HN 0.752 nan 8.310 nan 0.000 0.540 1386 N N 1.829 120.519 118.700 -0.017 0.000 2.402 1386 N HA 0.176 4.913 4.740 -0.006 0.000 0.252 1386 N C 0.201 175.699 175.510 -0.019 0.000 1.118 1386 N CA 0.027 53.067 53.050 -0.017 0.000 0.945 1386 N CB 1.004 39.486 38.487 -0.008 0.000 1.147 1386 N HN 0.168 nan 8.380 nan 0.000 0.495 1387 S N 2.078 117.760 115.700 -0.031 0.000 2.522 1387 S HA 0.020 4.487 4.470 -0.006 0.000 0.227 1387 S C -0.061 174.514 174.600 -0.041 0.000 0.986 1387 S CA 0.669 58.848 58.200 -0.035 0.000 0.929 1387 S CB 0.208 63.380 63.200 -0.045 0.000 0.769 1387 S HN 0.598 nan 8.310 nan 0.000 0.529 1388 E N 0.731 120.903 120.200 -0.047 0.000 2.260 1388 E HA 0.511 4.858 4.350 -0.006 0.000 0.266 1388 E C -0.802 175.756 176.600 -0.070 0.000 0.887 1388 E CA -0.358 56.000 56.400 -0.070 0.000 0.777 1388 E CB 1.903 31.563 29.700 -0.067 0.000 1.205 1388 E HN 0.327 nan 8.360 nan 0.000 0.414 1389 I N -1.182 119.326 120.570 -0.104 0.000 3.174 1389 I HA 0.738 4.905 4.170 -0.006 0.000 0.313 1389 I C -2.876 173.145 176.117 -0.161 0.000 1.155 1389 I CA -3.118 58.124 61.300 -0.097 0.000 0.977 1389 I CB 2.386 40.347 38.000 -0.065 0.000 1.248 1389 I HN 0.157 nan 8.210 nan 0.000 0.453 1390 P HA 0.266 nan 4.420 nan 0.000 0.284 1390 P C -1.515 175.715 177.300 -0.118 0.000 1.253 1390 P CA -0.059 62.978 63.100 -0.105 0.000 0.800 1390 P CB 0.224 31.910 31.700 -0.022 0.000 0.961 1391 Y N 1.055 121.325 120.300 -0.049 0.000 2.730 1391 Y HA 0.036 4.583 4.550 -0.004 0.000 0.354 1391 Y C 1.074 176.959 175.900 -0.026 0.000 1.139 1391 Y CA 0.645 58.716 58.100 -0.048 0.000 1.516 1391 Y CB -1.019 37.412 38.460 -0.048 0.000 1.204 1391 Y HN 0.318 nan 8.280 nan 0.000 0.520 1392 N N 3.022 121.785 118.700 0.105 0.000 2.968 1392 N HA 0.443 5.179 4.740 -0.006 0.000 0.271 1392 N C -0.072 175.484 175.510 0.076 0.000 1.174 1392 N CA 0.184 53.278 53.050 0.074 0.000 1.096 1392 N CB 0.038 38.549 38.487 0.041 0.000 1.403 1392 N HN 0.871 nan 8.380 nan 0.000 0.522 1393 G N 0.412 109.263 108.800 0.085 0.000 2.326 1393 G HA2 -0.079 3.878 3.960 -0.006 0.000 0.413 1393 G HA3 -0.079 3.878 3.960 -0.006 0.000 0.413 1393 G C -1.282 173.642 174.900 0.041 0.000 1.444 1393 G CA -0.934 44.202 45.100 0.060 0.000 1.002 1393 G HN 0.117 nan 8.290 nan 0.000 0.649 1394 E N -0.119 120.094 120.200 0.021 0.000 2.322 1394 E HA 0.506 4.853 4.350 -0.006 0.000 0.257 1394 E C -2.167 174.420 176.600 -0.023 0.000 1.155 1394 E CA -1.457 54.935 56.400 -0.013 0.000 0.936 1394 E CB 0.363 30.064 29.700 0.003 0.000 1.130 1394 E HN 0.251 nan 8.360 nan 0.000 0.465 1395 P HA 0.059 nan 4.420 nan 0.000 0.268 1395 P C -0.150 177.184 177.300 0.057 0.000 1.204 1395 P CA 0.002 63.077 63.100 -0.040 0.000 0.768 1395 P CB 0.378 32.026 31.700 -0.088 0.000 0.842 1396 L N 1.537 122.816 121.223 0.095 0.000 2.965 1396 L HA 0.477 4.813 4.340 -0.006 0.000 0.254 1396 L C 0.930 177.877 176.870 0.129 0.000 1.220 1396 L CA 0.600 55.561 54.840 0.202 0.000 1.023 1396 L CB -0.982 41.169 42.059 0.153 0.000 1.355 1396 L HN 0.475 nan 8.230 nan 0.000 0.545 1397 S N -2.456 113.325 115.700 0.135 0.000 2.565 1397 S HA 0.266 4.733 4.470 -0.006 0.000 0.274 1397 S C -0.087 174.650 174.600 0.228 0.000 1.144 1397 S CA -0.582 57.724 58.200 0.178 0.000 0.849 1397 S CB 0.018 63.328 63.200 0.183 0.000 1.103 1397 S HN 0.163 nan 8.310 nan 0.000 0.455 1398 W N 2.438 123.807 121.300 0.115 0.000 2.363 1398 W HA -0.062 4.595 4.660 -0.005 0.000 0.296 1398 W C 1.346 177.931 176.519 0.109 0.000 1.212 1398 W CA 2.262 59.663 57.345 0.094 0.000 1.260 1398 W CB -0.157 29.355 29.460 0.086 0.000 1.131 1398 W HN 0.758 nan 8.180 nan 0.000 0.530 1399 F N 1.603 121.666 119.950 0.187 0.000 2.113 1399 F HA -0.191 4.332 4.527 -0.006 0.000 0.297 1399 F C 2.458 178.156 175.800 -0.170 0.000 1.103 1399 F CA 2.547 60.524 58.000 -0.039 0.000 1.248 1399 F CB -0.928 38.181 39.000 0.182 0.000 0.999 1399 F HN -0.071 nan 8.300 nan 0.000 0.475 1400 Q N -0.169 119.613 119.800 -0.030 0.000 2.084 1400 Q HA -0.183 4.154 4.340 -0.006 0.000 0.202 1400 Q C 2.233 178.081 176.000 -0.254 0.000 0.978 1400 Q CA 1.751 57.469 55.803 -0.142 0.000 0.844 1400 Q CB -0.233 28.502 28.738 -0.006 0.000 0.898 1400 Q HN 0.373 nan 8.270 nan 0.000 0.426 1401 R N -0.083 120.275 120.500 -0.237 0.000 2.237 1401 R HA -0.101 4.236 4.340 -0.006 0.000 0.219 1401 R C 1.970 178.035 176.300 -0.391 0.000 1.080 1401 R CA 0.702 56.642 56.100 -0.267 0.000 0.995 1401 R CB 0.143 30.334 30.300 -0.181 0.000 0.875 1401 R HN 0.286 nan 8.270 nan 0.000 0.462 1402 Q N 0.214 119.672 119.800 -0.571 0.000 2.134 1402 Q HA 0.037 4.373 4.340 -0.006 0.000 0.195 1402 Q C 2.043 177.771 176.000 -0.454 0.000 0.958 1402 Q CA 0.928 56.370 55.803 -0.601 0.000 0.840 1402 Q CB 0.066 28.277 28.738 -0.879 0.000 0.918 1402 Q HN 0.343 nan 8.270 nan 0.000 0.467 1403 L N 0.231 121.155 121.223 -0.498 0.000 2.610 1403 L HA 0.014 4.350 4.340 -0.006 0.000 0.232 1403 L C 1.978 178.710 176.870 -0.230 0.000 1.149 1403 L CA 0.550 55.176 54.840 -0.357 0.000 0.872 1403 L CB -0.034 41.777 42.059 -0.414 0.000 0.992 1403 L HN 0.084 nan 8.230 nan 0.000 0.447 1404 R N -0.495 119.851 120.500 -0.257 0.000 2.316 1404 R HA 0.264 4.601 4.340 -0.006 0.000 0.201 1404 R C 0.798 176.982 176.300 -0.194 0.000 0.888 1404 R CA 0.416 56.382 56.100 -0.223 0.000 1.041 1404 R CB 0.699 30.809 30.300 -0.316 0.000 1.115 1404 R HN 0.290 nan 8.270 nan 0.000 0.559 1405 G N -0.028 108.640 108.800 -0.220 0.000 2.846 1405 G HA2 -0.265 3.692 3.960 -0.006 0.000 0.660 1405 G HA3 -0.265 3.692 3.960 -0.006 0.000 0.660 1405 G C 0.405 175.206 174.900 -0.165 0.000 1.464 1405 G CA -0.129 44.842 45.100 -0.215 0.000 0.891 1405 G HN 0.331 nan 8.290 nan 0.000 0.552 1406 S N -0.322 115.280 115.700 -0.163 0.000 2.528 1406 S HA 0.275 4.742 4.470 -0.006 0.000 0.219 1406 S C 0.911 175.557 174.600 0.077 0.000 0.985 1406 S CA 1.122 59.287 58.200 -0.059 0.000 0.914 1406 S CB -0.183 62.984 63.200 -0.054 0.000 0.776 1406 S HN 0.857 nan 8.310 nan 0.000 0.526 1407 H N -0.141 118.913 119.070 -0.026 0.000 2.815 1407 H HA 0.164 4.716 4.556 -0.006 0.000 0.350 1407 H C -0.462 174.891 175.328 0.041 0.000 1.080 1407 H CA -0.645 55.411 56.048 0.012 0.000 1.433 1407 H CB 0.389 30.147 29.762 -0.006 0.000 1.432 1407 H HN 0.480 nan 8.280 nan 0.000 0.592 1408 Y N 3.357 123.701 120.300 0.074 0.000 2.496 1408 Y HA 0.053 4.600 4.550 -0.005 0.000 0.334 1408 Y C -0.459 175.464 175.900 0.038 0.000 1.080 1408 Y CA -0.239 57.878 58.100 0.028 0.000 1.355 1408 Y CB 0.478 38.940 38.460 0.003 0.000 1.193 1408 Y HN 0.514 nan 8.280 nan 0.000 0.523 1409 Q N 8.991 128.517 119.800 -0.456 0.000 2.709 1409 Q HA 0.269 4.606 4.340 -0.006 0.000 0.232 1409 Q C -2.514 173.343 176.000 -0.238 0.000 0.856 1409 Q CA -1.757 53.821 55.803 -0.375 0.000 0.788 1409 Q CB 1.922 30.605 28.738 -0.091 0.000 1.386 1409 Q HN 0.573 nan 8.270 nan 0.000 0.453 1410 P HA 0.115 nan 4.420 nan 0.000 0.236 1410 P C 0.394 177.679 177.300 -0.026 0.000 1.177 1410 P CA 0.329 63.367 63.100 -0.104 0.000 0.773 1410 P CB 0.401 32.011 31.700 -0.150 0.000 0.878 1411 I N 1.026 121.539 120.570 -0.096 0.000 2.304 1411 I HA 0.190 4.357 4.170 -0.006 0.000 0.291 1411 I C 0.156 176.044 176.117 -0.380 0.000 1.018 1411 I CA -1.463 59.722 61.300 -0.191 0.000 1.260 1411 I CB 0.535 38.458 38.000 -0.127 0.000 1.390 1411 I HN -0.127 nan 8.210 nan 0.000 0.475 1412 L N 8.626 129.448 121.223 -0.669 0.000 2.265 1412 L HA 0.444 4.781 4.340 -0.006 0.000 0.288 1412 L C 0.046 176.734 176.870 -0.303 0.000 1.058 1412 L CA 0.098 54.459 54.840 -0.798 0.000 0.809 1412 L CB 0.426 41.859 42.059 -1.042 0.000 1.179 1412 L HN 0.514 nan 8.230 nan 0.000 0.429 1413 R N 3.691 124.097 120.500 -0.156 0.000 2.668 1413 R HA 0.421 4.757 4.340 -0.006 0.000 0.279 1413 R C -0.420 175.893 176.300 0.021 0.000 0.976 1413 R CA -0.734 55.332 56.100 -0.056 0.000 0.978 1413 R CB 0.906 31.183 30.300 -0.039 0.000 1.133 1413 R HN 0.703 nan 8.270 nan 0.000 0.484 1414 D N 0.574 120.989 120.400 0.024 0.000 2.945 1414 D HA -0.187 4.450 4.640 -0.006 0.000 0.225 1414 D C -0.419 175.909 176.300 0.047 0.000 1.158 1414 D CA 1.191 55.208 54.000 0.030 0.000 0.805 1414 D CB -1.274 39.571 40.800 0.076 0.000 1.098 1414 D HN 0.611 nan 8.370 nan 0.000 0.426 1415 H N 0.217 119.268 119.070 -0.031 0.000 2.768 1415 H HA 0.414 4.967 4.556 -0.005 0.000 0.219 1415 H C 0.492 175.813 175.328 -0.011 0.000 1.898 1415 H CA -0.169 55.872 56.048 -0.010 0.000 1.313 1415 H CB -0.552 29.201 29.762 -0.015 0.000 1.701 1415 H HN 0.340 nan 8.280 nan 0.000 0.534 1416 I N -0.819 119.665 120.570 -0.144 0.000 2.797 1416 I HA 0.547 4.714 4.170 -0.006 0.000 0.307 1416 I C -0.405 175.644 176.117 -0.113 0.000 1.033 1416 I CA -1.293 59.933 61.300 -0.125 0.000 1.071 1416 I CB 1.785 39.742 38.000 -0.072 0.000 1.255 1416 I HN 0.344 nan 8.210 nan 0.000 0.445 1417 C N 1.470 120.734 119.300 -0.061 0.000 3.154 1417 C HA 0.626 5.083 4.460 -0.006 0.000 0.312 1417 C C -0.226 174.785 174.990 0.036 0.000 1.349 1417 C CA -1.140 57.888 59.018 0.018 0.000 1.518 1417 C CB 1.560 29.293 27.740 -0.013 0.000 1.934 1417 C HN 0.923 nan 8.230 nan 0.000 0.462 1418 K N 0.901 121.338 120.400 0.061 0.000 2.355 1418 K HA 0.241 4.558 4.320 -0.006 0.000 0.270 1418 K C -0.410 176.200 176.600 0.017 0.000 1.003 1418 K CA 0.248 56.557 56.287 0.036 0.000 0.957 1418 K CB 0.351 32.858 32.500 0.013 0.000 0.939 1418 K HN 0.721 nan 8.250 nan 0.000 0.482 1419 D N 3.418 123.826 120.400 0.014 0.000 2.422 1419 D HA 0.039 4.676 4.640 -0.006 0.000 0.227 1419 D C -0.189 176.120 176.300 0.015 0.000 1.190 1419 D CA -0.211 53.797 54.000 0.013 0.000 0.905 1419 D CB 0.300 41.106 40.800 0.010 0.000 1.034 1419 D HN 0.229 nan 8.370 nan 0.000 0.507 1420 M N 1.320 120.932 119.600 0.020 0.000 2.226 1420 M HA 0.067 4.543 4.480 -0.006 0.000 0.324 1420 M C 1.088 177.408 176.300 0.033 0.000 1.112 1420 M CA -0.269 55.047 55.300 0.027 0.000 1.176 1420 M CB 0.688 33.312 32.600 0.041 0.000 1.430 1420 M HN 0.388 nan 8.290 nan 0.000 0.462 1421 S N 2.077 117.800 115.700 0.038 0.000 2.576 1421 S HA 0.140 4.607 4.470 -0.006 0.000 0.272 1421 S C -1.846 172.780 174.600 0.044 0.000 1.352 1421 S CA -0.859 57.363 58.200 0.037 0.000 1.021 1421 S CB 0.508 63.732 63.200 0.040 0.000 0.887 1421 S HN 0.433 nan 8.310 nan 0.000 0.542 1422 P HA -0.141 nan 4.420 nan 0.000 0.214 1422 P C 1.775 179.104 177.300 0.047 0.000 1.163 1422 P CA 0.993 64.116 63.100 0.037 0.000 0.889 1422 P CB -0.074 31.642 31.700 0.026 0.000 0.790 1423 L N -0.560 120.691 121.223 0.046 0.000 1.990 1423 L HA -0.204 4.133 4.340 -0.006 0.000 0.213 1423 L C 2.164 179.076 176.870 0.069 0.000 1.072 1423 L CA 1.894 56.764 54.840 0.050 0.000 0.755 1423 L CB -0.750 41.337 42.059 0.048 0.000 0.889 1423 L HN -0.142 nan 8.230 nan 0.000 0.432 1424 V N 0.103 120.074 119.914 0.094 0.000 2.332 1424 V HA -0.318 3.799 4.120 -0.006 0.000 0.248 1424 V C 2.786 178.970 176.094 0.150 0.000 1.055 1424 V CA 1.760 64.155 62.300 0.158 0.000 1.038 1424 V CB -1.198 30.715 31.823 0.150 0.000 0.651 1424 V HN 0.606 nan 8.190 nan 0.000 0.450 1425 A N 0.037 122.918 122.820 0.102 0.000 1.940 1425 A HA -0.130 4.187 4.320 -0.006 0.000 0.219 1425 A C 2.441 180.075 177.584 0.083 0.000 1.176 1425 A CA 2.133 54.225 52.037 0.091 0.000 0.631 1425 A CB -0.759 18.281 19.000 0.067 0.000 0.814 1425 A HN 0.590 nan 8.150 nan 0.000 0.446 1426 A N -0.078 122.792 122.820 0.082 0.000 1.883 1426 A HA -0.193 4.124 4.320 -0.006 0.000 0.217 1426 A C 2.250 179.921 177.584 0.146 0.000 1.186 1426 A CA 1.622 53.723 52.037 0.106 0.000 0.624 1426 A CB -0.505 18.559 19.000 0.107 0.000 0.822 1426 A HN 0.562 nan 8.150 nan 0.000 0.444 1427 R N -0.964 119.591 120.500 0.092 0.000 2.083 1427 R HA -0.106 4.230 4.340 -0.006 0.000 0.237 1427 R C 2.282 178.623 176.300 0.068 0.000 1.137 1427 R CA 1.846 57.962 56.100 0.026 0.000 0.951 1427 R CB -0.448 29.740 30.300 -0.188 0.000 0.851 1427 R HN 0.566 nan 8.270 nan 0.000 0.434 1428 M N -0.326 119.349 119.600 0.126 0.000 2.279 1428 M HA -0.152 4.324 4.480 -0.006 0.000 0.264 1428 M C 2.348 178.599 176.300 -0.081 0.000 1.062 1428 M CA 1.420 56.797 55.300 0.127 0.000 1.099 1428 M CB -0.267 32.438 32.600 0.174 0.000 1.394 1428 M HN 0.108 nan 8.290 nan 0.000 0.426 1429 R N -0.351 120.023 120.500 -0.210 0.000 2.092 1429 R HA -0.109 4.228 4.340 -0.006 0.000 0.231 1429 R C 1.683 177.615 176.300 -0.614 0.000 1.119 1429 R CA 1.081 56.775 56.100 -0.678 0.000 0.970 1429 R CB -0.019 30.031 30.300 -0.417 0.000 0.864 1429 R HN 0.452 nan 8.270 nan 0.000 0.440 1430 H N -0.548 118.406 119.070 -0.194 0.000 2.539 1430 H HA 0.119 4.672 4.556 -0.006 0.000 0.267 1430 H C -0.025 175.278 175.328 -0.040 0.000 0.982 1430 H CA 0.320 56.306 56.048 -0.103 0.000 1.146 1430 H CB 0.170 29.888 29.762 -0.074 0.000 1.382 1430 H HN 0.128 nan 8.280 nan 0.000 0.577 1431 I N 3.187 123.784 120.570 0.046 0.000 2.312 1431 I HA 0.130 4.296 4.170 -0.006 0.000 0.291 1431 I C -1.917 174.262 176.117 0.102 0.000 1.031 1431 I CA -1.862 59.497 61.300 0.098 0.000 1.293 1431 I CB 1.134 39.208 38.000 0.124 0.000 1.403 1431 I HN -0.199 nan 8.210 nan 0.000 0.484 1432 P HA -0.118 nan 4.420 nan 0.000 0.271 1432 P C 0.706 178.090 177.300 0.141 0.000 1.197 1432 P CA 0.256 63.497 63.100 0.236 0.000 0.777 1432 P CB 0.610 32.524 31.700 0.356 0.000 0.827 1433 L N -0.004 121.199 121.223 -0.033 0.000 2.446 1433 L HA 0.098 4.434 4.340 -0.006 0.000 0.219 1433 L C 0.695 177.424 176.870 -0.235 0.000 1.116 1433 L CA 0.361 55.082 54.840 -0.198 0.000 0.844 1433 L CB -0.318 41.536 42.059 -0.342 0.000 0.970 1433 L HN 0.321 nan 8.230 nan 0.000 0.457 1434 F N 1.036 121.004 119.950 0.031 0.000 2.471 1434 F HA 0.226 4.750 4.527 -0.006 0.000 0.353 1434 F C -1.665 174.126 175.800 -0.015 0.000 1.113 1434 F CA -2.544 55.465 58.000 0.015 0.000 1.262 1434 F CB -0.637 38.371 39.000 0.013 0.000 1.146 1434 F HN -0.189 nan 8.300 nan 0.000 0.578 1435 P HA 0.070 nan 4.420 nan 0.000 0.264 1435 P C 0.795 178.115 177.300 0.035 0.000 1.179 1435 P CA 1.308 64.422 63.100 0.023 0.000 0.763 1435 P CB 0.496 32.197 31.700 0.001 0.000 0.806 1436 G N 1.348 110.143 108.800 -0.010 0.000 2.241 1436 G HA2 -0.253 3.703 3.960 -0.006 0.000 0.244 1436 G HA3 -0.253 3.703 3.960 -0.006 0.000 0.244 1436 G C 0.348 175.257 174.900 0.014 0.000 0.998 1436 G CA 0.088 45.183 45.100 -0.007 0.000 0.621 1436 G HN 0.602 nan 8.290 nan 0.000 0.519 1437 S N 2.113 117.843 115.700 0.050 0.000 2.546 1437 S HA 0.475 4.941 4.470 -0.006 0.000 0.290 1437 S C 0.336 174.977 174.600 0.067 0.000 1.290 1437 S CA 0.940 59.184 58.200 0.073 0.000 1.069 1437 S CB 1.030 64.306 63.200 0.126 0.000 0.846 1437 S HN 0.934 nan 8.310 nan 0.000 0.495 1438 D N 0.569 121.005 120.400 0.060 0.000 2.921 1438 D HA 0.187 4.824 4.640 -0.006 0.000 0.329 1438 D C 1.037 177.408 176.300 0.119 0.000 1.293 1438 D CA -0.879 53.198 54.000 0.129 0.000 0.964 1438 D CB -0.470 40.422 40.800 0.153 0.000 1.435 1438 D HN 0.580 nan 8.370 nan 0.000 0.548 1439 W N 0.594 121.971 121.300 0.128 0.000 2.387 1439 W HA -0.122 4.534 4.660 -0.005 0.000 0.272 1439 W C 0.838 177.378 176.519 0.035 0.000 1.224 1439 W CA 0.732 58.113 57.345 0.060 0.000 1.210 1439 W CB -0.744 28.767 29.460 0.086 0.000 1.125 1439 W HN 0.230 nan 8.180 nan 0.000 0.572 1440 R N 0.824 120.804 120.500 -0.867 0.000 2.235 1440 R HA -0.055 4.281 4.340 -0.006 0.000 0.213 1440 R C 1.065 177.181 176.300 -0.307 0.000 1.059 1440 R CA 1.255 56.768 56.100 -0.978 0.000 0.997 1440 R CB -0.373 29.316 30.300 -1.019 0.000 0.884 1440 R HN 0.272 nan 8.270 nan 0.000 0.462 1441 D N 0.737 121.085 120.400 -0.086 0.000 2.339 1441 D HA 0.078 4.714 4.640 -0.006 0.000 0.217 1441 D C 0.465 176.880 176.300 0.192 0.000 1.050 1441 D CA 0.079 54.166 54.000 0.145 0.000 0.856 1441 D CB 0.395 41.278 40.800 0.138 0.000 0.922 1441 D HN 0.122 nan 8.370 nan 0.000 0.518 1442 L N 2.175 123.440 121.223 0.069 0.000 2.514 1442 L HA 0.070 4.407 4.340 -0.006 0.000 0.280 1442 L C -2.140 174.662 176.870 -0.113 0.000 1.223 1442 L CA -1.065 53.783 54.840 0.013 0.000 0.864 1442 L CB 0.062 42.128 42.059 0.012 0.000 1.118 1442 L HN -0.289 nan 8.230 nan 0.000 0.494 1443 P HA 0.134 nan 4.420 nan 0.000 0.284 1443 P C -0.835 176.300 177.300 -0.275 0.000 1.253 1443 P CA -0.506 62.317 63.100 -0.462 0.000 0.800 1443 P CB 0.607 32.059 31.700 -0.413 0.000 0.961 1444 N N 3.042 121.607 118.700 -0.225 0.000 3.322 1444 N HA 0.178 4.915 4.740 -0.006 0.000 0.290 1444 N C -0.473 174.977 175.510 -0.099 0.000 1.297 1444 N CA -0.303 52.691 53.050 -0.094 0.000 1.167 1444 N CB -0.853 37.648 38.487 0.024 0.000 1.434 1444 N HN 0.350 nan 8.380 nan 0.000 0.526 1445 I N -2.685 117.798 120.570 -0.144 0.000 3.067 1445 I HA 0.525 4.691 4.170 -0.006 0.000 0.312 1445 I C -0.259 175.790 176.117 -0.114 0.000 1.073 1445 I CA -1.110 60.116 61.300 -0.123 0.000 1.016 1445 I CB 1.820 39.729 38.000 -0.152 0.000 1.227 1445 I HN -0.018 nan 8.210 nan 0.000 0.456 1446 Q N 1.946 121.692 119.800 -0.089 0.000 2.261 1446 Q HA 0.590 4.927 4.340 -0.006 0.000 0.252 1446 Q C -1.634 174.301 176.000 -0.109 0.000 0.915 1446 Q CA -0.578 55.162 55.803 -0.104 0.000 0.915 1446 Q CB 1.791 30.468 28.738 -0.102 0.000 1.204 1446 Q HN 0.634 nan 8.270 nan 0.000 0.421 1447 V N 2.293 122.137 119.914 -0.117 0.000 2.623 1447 V HA 0.538 4.655 4.120 -0.006 0.000 0.304 1447 V C -0.254 175.800 176.094 -0.066 0.000 1.054 1447 V CA -0.773 61.485 62.300 -0.071 0.000 0.882 1447 V CB 1.574 33.364 31.823 -0.055 0.000 1.002 1447 V HN 0.866 nan 8.190 nan 0.000 0.424 1448 R N 4.827 125.303 120.500 -0.039 0.000 2.248 1448 R HA 0.645 4.982 4.340 -0.006 0.000 0.337 1448 R C -0.303 175.993 176.300 -0.007 0.000 1.085 1448 R CA -0.228 55.851 56.100 -0.035 0.000 0.934 1448 R CB -0.259 30.025 30.300 -0.027 0.000 1.034 1448 R HN 0.742 nan 8.270 nan 0.000 0.465 1449 L N 2.143 123.361 121.223 -0.008 0.000 2.483 1449 L HA 0.178 4.514 4.340 -0.006 0.000 0.275 1449 L C 2.235 179.112 176.870 0.012 0.000 1.220 1449 L CA 0.344 55.191 54.840 0.010 0.000 0.833 1449 L CB 0.622 42.687 42.059 0.010 0.000 1.102 1449 L HN 0.845 nan 8.230 nan 0.000 0.490 1450 G N 0.607 109.419 108.800 0.019 0.000 2.505 1450 G HA2 -0.380 3.577 3.960 -0.006 0.000 0.220 1450 G HA3 -0.380 3.577 3.960 -0.006 0.000 0.220 1450 G C 1.233 176.140 174.900 0.011 0.000 1.145 1450 G CA 1.125 46.235 45.100 0.017 0.000 0.761 1450 G HN 0.921 nan 8.290 nan 0.000 0.571 1451 D N 0.217 120.623 120.400 0.011 0.000 2.149 1451 D HA 0.042 4.678 4.640 -0.006 0.000 0.194 1451 D C 2.064 178.365 176.300 0.002 0.000 1.001 1451 D CA 2.749 56.752 54.000 0.006 0.000 0.849 1451 D CB -0.503 40.300 40.800 0.007 0.000 0.939 1451 D HN 0.611 nan 8.370 nan 0.000 0.449 1452 G N -1.148 107.652 108.800 -0.000 0.000 2.612 1452 G HA2 -0.080 3.876 3.960 -0.006 0.000 0.200 1452 G HA3 -0.080 3.876 3.960 -0.006 0.000 0.200 1452 G C 0.803 175.696 174.900 -0.011 0.000 1.053 1452 G CA 0.373 45.471 45.100 -0.005 0.000 0.707 1452 G HN 0.973 nan 8.290 nan 0.000 0.497 1453 V N 2.525 122.435 119.914 -0.008 0.000 2.814 1453 V HA 0.456 4.572 4.120 -0.006 0.000 0.307 1453 V C 0.823 176.901 176.094 -0.027 0.000 1.089 1453 V CA 0.868 63.162 62.300 -0.009 0.000 1.212 1453 V CB 0.172 31.996 31.823 0.001 0.000 0.912 1453 V HN 0.513 nan 8.190 nan 0.000 0.497 1454 I N 5.160 125.699 120.570 -0.051 0.000 2.297 1454 I HA 0.494 4.660 4.170 -0.006 0.000 0.291 1454 I C 0.784 176.792 176.117 -0.181 0.000 1.033 1454 I CA -0.340 60.876 61.300 -0.139 0.000 1.253 1454 I CB 1.206 39.073 38.000 -0.222 0.000 1.396 1454 I HN 0.817 nan 8.210 nan 0.000 0.476 1455 A N 6.320 129.065 122.820 -0.124 0.000 2.451 1455 A HA 0.304 4.621 4.320 -0.006 0.000 0.266 1455 A C -0.257 177.239 177.584 -0.148 0.000 1.119 1455 A CA -0.003 51.994 52.037 -0.067 0.000 0.786 1455 A CB -0.218 18.761 19.000 -0.035 0.000 1.061 1455 A HN 0.734 nan 8.150 nan 0.000 0.503 1456 H N 1.058 120.115 119.070 -0.022 0.000 2.417 1456 H HA 0.373 4.926 4.556 -0.006 0.000 0.325 1456 H C 0.365 175.668 175.328 -0.042 0.000 1.549 1456 H CA -0.056 55.975 56.048 -0.029 0.000 1.476 1456 H CB 0.414 30.161 29.762 -0.025 0.000 1.732 1456 H HN 0.629 nan 8.280 nan 0.000 0.695 1457 K N 0.462 120.931 120.400 0.114 0.000 2.168 1457 K HA 0.192 4.509 4.320 -0.006 0.000 0.258 1457 K C -0.695 175.901 176.600 -0.006 0.000 1.010 1457 K CA -0.689 55.614 56.287 0.027 0.000 0.929 1457 K CB 0.765 33.279 32.500 0.023 0.000 0.998 1457 K HN 0.153 nan 8.250 nan 0.000 0.479 1458 L N 2.294 123.481 121.223 -0.061 0.000 2.319 1458 L HA 0.076 4.412 4.340 -0.006 0.000 0.280 1458 L C -0.589 176.080 176.870 -0.335 0.000 1.099 1458 L CA 0.548 55.288 54.840 -0.168 0.000 0.828 1458 L CB 0.742 42.686 42.059 -0.191 0.000 1.150 1458 L HN 0.451 nan 8.230 nan 0.000 0.442 1459 Q N 4.680 124.303 119.800 -0.294 0.000 2.290 1459 Q HA 0.287 4.623 4.340 -0.006 0.000 0.259 1459 Q C -1.585 174.225 176.000 -0.317 0.000 0.941 1459 Q CA -0.368 55.288 55.803 -0.245 0.000 0.912 1459 Q CB 1.424 30.096 28.738 -0.111 0.000 1.244 1459 Q HN 0.545 nan 8.270 nan 0.000 0.441 1460 Y N 1.141 121.473 120.300 0.053 0.000 2.595 1460 Y HA 0.134 4.682 4.550 -0.005 0.000 0.336 1460 Y C 1.194 177.091 175.900 -0.005 0.000 0.996 1460 Y CA -0.483 57.652 58.100 0.058 0.000 1.260 1460 Y CB 0.718 39.221 38.460 0.072 0.000 1.108 1460 Y HN 0.635 nan 8.280 nan 0.000 0.509 1461 T N -1.722 112.821 114.554 -0.018 0.000 3.054 1461 T HA 0.303 4.650 4.350 -0.006 0.000 0.255 1461 T C -0.100 174.374 174.700 -0.377 0.000 1.035 1461 T CA 0.060 62.013 62.100 -0.245 0.000 0.941 1461 T CB -0.145 68.451 68.868 -0.454 0.000 1.026 1461 T HN 0.118 nan 8.240 nan 0.000 0.533 1462 F N 0.870 120.921 119.950 0.168 0.000 2.598 1462 F HA 0.521 5.044 4.527 -0.006 0.000 0.327 1462 F C 0.225 176.113 175.800 0.146 0.000 1.057 1462 F CA -1.892 56.199 58.000 0.151 0.000 0.957 1462 F CB 1.239 40.322 39.000 0.139 0.000 1.278 1462 F HN 0.069 nan 8.300 nan 0.000 0.484 1463 H N 1.057 120.274 119.070 0.244 0.000 2.467 1463 H HA 0.194 4.746 4.556 -0.006 0.000 0.326 1463 H C -1.413 173.918 175.328 0.006 0.000 1.094 1463 H CA -0.536 55.534 56.048 0.036 0.000 1.253 1463 H CB 1.512 31.250 29.762 -0.040 0.000 1.439 1463 H HN 0.541 nan 8.280 nan 0.000 0.479 1464 D N 4.436 124.531 120.400 -0.509 0.000 2.380 1464 D HA 0.163 4.800 4.640 -0.006 0.000 0.230 1464 D C 1.254 177.342 176.300 -0.354 0.000 1.154 1464 D CA -0.104 53.719 54.000 -0.295 0.000 0.859 1464 D CB 1.009 41.694 40.800 -0.192 0.000 1.045 1464 D HN 0.591 nan 8.370 nan 0.000 0.495 1465 V N 4.446 124.294 119.914 -0.110 0.000 2.287 1465 V HA -0.284 3.833 4.120 -0.006 0.000 0.248 1465 V C 2.339 178.408 176.094 -0.041 0.000 1.053 1465 V CA 2.941 65.229 62.300 -0.021 0.000 1.027 1465 V CB -1.332 30.510 31.823 0.031 0.000 0.646 1465 V HN 0.605 nan 8.190 nan 0.000 0.447 1466 K N 0.088 120.470 120.400 -0.030 0.000 2.097 1466 K HA -0.172 4.145 4.320 -0.006 0.000 0.205 1466 K C 1.883 178.486 176.600 0.005 0.000 1.050 1466 K CA 1.883 58.171 56.287 0.002 0.000 0.938 1466 K CB -0.784 31.733 32.500 0.028 0.000 0.718 1466 K HN 0.775 nan 8.250 nan 0.000 0.442 1467 N N -1.208 117.469 118.700 -0.038 0.000 2.368 1467 N HA 0.205 4.942 4.740 -0.006 0.000 0.178 1467 N C 1.194 176.597 175.510 -0.178 0.000 1.076 1467 N CA 0.902 53.928 53.050 -0.041 0.000 0.889 1467 N CB 0.956 39.456 38.487 0.021 0.000 1.040 1467 N HN 0.678 nan 8.380 nan 0.000 0.463 1468 G N 0.286 108.912 108.800 -0.291 0.000 2.512 1468 G HA2 -0.280 3.677 3.960 -0.006 0.000 0.240 1468 G HA3 -0.280 3.677 3.960 -0.006 0.000 0.240 1468 G C -0.825 173.785 174.900 -0.483 0.000 1.246 1468 G CA -0.311 44.587 45.100 -0.337 0.000 0.919 1468 G HN 0.163 nan 8.290 nan 0.000 0.577 1469 Y N 0.785 121.030 120.300 -0.091 0.000 2.480 1469 Y HA 0.685 5.232 4.550 -0.006 0.000 0.323 1469 Y C 1.295 177.087 175.900 -0.180 0.000 1.267 1469 Y CA 0.431 58.478 58.100 -0.088 0.000 1.336 1469 Y CB 0.939 39.414 38.460 0.025 0.000 1.361 1469 Y HN 1.147 nan 8.280 nan 0.000 0.518 1470 S N -0.337 115.381 115.700 0.029 0.000 2.722 1470 S HA 0.539 5.006 4.470 -0.006 0.000 0.292 1470 S C 1.438 176.026 174.600 -0.020 0.000 1.135 1470 S CA -0.196 57.955 58.200 -0.083 0.000 1.003 1470 S CB 0.054 63.179 63.200 -0.126 0.000 1.067 1470 S HN 0.837 nan 8.310 nan 0.000 0.546 1471 S N 0.173 115.855 115.700 -0.031 0.000 2.387 1471 S HA 0.019 4.485 4.470 -0.006 0.000 0.230 1471 S C 2.004 176.596 174.600 -0.013 0.000 1.035 1471 S CA 2.935 61.126 58.200 -0.014 0.000 1.014 1471 S CB -1.618 61.577 63.200 -0.008 0.000 0.836 1471 S HN 1.353 nan 8.310 nan 0.000 0.466 1472 T N -0.532 114.015 114.554 -0.012 0.000 2.962 1472 T HA 0.393 4.739 4.350 -0.006 0.000 0.270 1472 T C 2.037 176.729 174.700 -0.014 0.000 1.088 1472 T CA 1.373 63.468 62.100 -0.008 0.000 1.127 1472 T CB -0.645 68.223 68.868 0.000 0.000 0.883 1472 T HN 1.715 nan 8.240 nan 0.000 0.493 1473 G N -0.138 108.657 108.800 -0.009 0.000 2.132 1473 G HA2 0.252 4.209 3.960 -0.006 0.000 0.228 1473 G HA3 0.252 4.209 3.960 -0.006 0.000 0.228 1473 G C 0.195 175.133 174.900 0.063 0.000 1.000 1473 G CA 0.252 45.336 45.100 -0.028 0.000 0.693 1473 G HN 1.415 nan 8.290 nan 0.000 0.515 1474 A N -0.446 122.425 122.820 0.086 0.000 2.293 1474 A HA 0.834 5.151 4.320 -0.006 0.000 0.302 1474 A C 0.405 178.074 177.584 0.141 0.000 1.119 1474 A CA -0.550 51.547 52.037 0.100 0.000 0.823 1474 A CB 0.694 19.703 19.000 0.014 0.000 1.097 1474 A HN 0.869 nan 8.150 nan 0.000 0.491 1475 L N 1.164 122.482 121.223 0.159 0.000 2.453 1475 L HA 0.211 4.547 4.340 -0.006 0.000 0.272 1475 L C 1.462 178.280 176.870 -0.088 0.000 1.182 1475 L CA 0.943 55.846 54.840 0.104 0.000 0.858 1475 L CB 0.306 42.485 42.059 0.200 0.000 1.120 1475 L HN 0.773 nan 8.230 nan 0.000 0.474 1476 R N 1.924 122.311 120.500 -0.188 0.000 2.468 1476 R HA 0.293 4.630 4.340 -0.006 0.000 0.280 1476 R C 0.349 176.680 176.300 0.051 0.000 0.963 1476 R CA -0.143 55.804 56.100 -0.254 0.000 1.083 1476 R CB 0.589 30.664 30.300 -0.374 0.000 1.200 1476 R HN 0.769 nan 8.270 nan 0.000 0.541 1477 G N 0.089 109.002 108.800 0.189 0.000 2.388 1477 G HA2 0.369 4.326 3.960 -0.006 0.000 0.330 1477 G HA3 0.369 4.326 3.960 -0.006 0.000 0.330 1477 G C 0.461 175.627 174.900 0.444 0.000 1.142 1477 G CA -0.481 44.792 45.100 0.289 0.000 0.908 1477 G HN 0.051 nan 8.290 nan 0.000 0.473 1478 V N -1.860 118.288 119.914 0.389 0.000 3.432 1478 V HA 0.472 4.588 4.120 -0.006 0.000 0.298 1478 V C 0.339 176.801 176.094 0.614 0.000 1.464 1478 V CA -0.381 62.164 62.300 0.407 0.000 1.046 1478 V CB -0.609 31.277 31.823 0.104 0.000 0.887 1478 V HN 0.799 nan 8.190 nan 0.000 0.441 1479 C N -0.987 118.634 119.300 0.535 0.000 3.285 1479 C HA 0.572 5.028 4.460 -0.006 0.000 0.325 1479 C C 1.911 176.624 174.990 -0.462 0.000 1.304 1479 C CA 0.658 59.824 59.018 0.247 0.000 1.319 1479 C CB 1.466 29.410 27.740 0.341 0.000 1.640 1479 C HN 0.403 nan 8.230 nan 0.000 0.477 1480 S N 0.877 116.040 115.700 -0.895 0.000 2.402 1480 S HA -0.209 4.258 4.470 -0.006 0.000 0.233 1480 S C 1.834 176.243 174.600 -0.318 0.000 1.030 1480 S CA 1.958 59.652 58.200 -0.843 0.000 1.003 1480 S CB -0.610 62.289 63.200 -0.503 0.000 0.813 1480 S HN 1.032 nan 8.310 nan 0.000 0.477 1481 C N 1.671 120.887 119.300 -0.141 0.000 2.432 1481 C HA 0.301 4.758 4.460 -0.006 0.000 0.280 1481 C C 2.634 177.596 174.990 -0.047 0.000 1.353 1481 C CA -0.079 58.905 59.018 -0.056 0.000 1.766 1481 C CB -1.612 26.125 27.740 -0.006 0.000 1.924 1481 C HN 0.514 nan 8.230 nan 0.000 0.509 1482 A N 0.724 123.524 122.820 -0.034 0.000 2.119 1482 A HA -0.014 4.303 4.320 -0.006 0.000 0.217 1482 A C 2.141 179.723 177.584 -0.004 0.000 1.153 1482 A CA 1.227 53.262 52.037 -0.004 0.000 0.692 1482 A CB -0.562 18.463 19.000 0.042 0.000 0.799 1482 A HN 0.757 nan 8.150 nan 0.000 0.458 1483 E N -1.738 118.449 120.200 -0.022 0.000 2.435 1483 E HA 0.203 4.549 4.350 -0.006 0.000 0.195 1483 E C 1.342 177.941 176.600 -0.002 0.000 1.029 1483 E CA 0.379 56.786 56.400 0.012 0.000 0.865 1483 E CB 0.016 29.718 29.700 0.003 0.000 0.833 1483 E HN 0.707 nan 8.360 nan 0.000 0.510 1484 G N 1.517 110.303 108.800 -0.025 0.000 2.232 1484 G HA2 -0.252 3.705 3.960 -0.006 0.000 0.226 1484 G HA3 -0.252 3.705 3.960 -0.006 0.000 0.226 1484 G C 0.344 175.229 174.900 -0.025 0.000 0.996 1484 G CA 0.034 45.123 45.100 -0.018 0.000 0.626 1484 G HN 0.137 nan 8.290 nan 0.000 0.509 1485 K N 0.866 121.240 120.400 -0.044 0.000 2.140 1485 K HA 0.672 4.989 4.320 -0.006 0.000 0.237 1485 K C 1.044 177.618 176.600 -0.043 0.000 1.045 1485 K CA -0.073 56.188 56.287 -0.043 0.000 0.896 1485 K CB 0.543 33.009 32.500 -0.056 0.000 1.122 1485 K HN 0.540 nan 8.250 nan 0.000 0.503 1486 A N 0.381 123.185 122.820 -0.027 0.000 2.386 1486 A HA 0.079 4.396 4.320 -0.006 0.000 0.246 1486 A C -0.207 177.371 177.584 -0.010 0.000 1.089 1486 A CA -0.435 51.597 52.037 -0.008 0.000 0.790 1486 A CB 0.209 19.211 19.000 0.004 0.000 1.042 1486 A HN 0.755 nan 8.150 nan 0.000 0.497 1487 C N 1.785 121.106 119.300 0.034 0.000 2.624 1487 C HA 0.214 4.671 4.460 -0.006 0.000 0.397 1487 C C 0.505 175.527 174.990 0.055 0.000 1.331 1487 C CA 0.027 59.089 59.018 0.074 0.000 1.716 1487 C CB -1.327 26.504 27.740 0.152 0.000 2.452 1487 C HN 0.800 nan 8.230 nan 0.000 0.586 1488 D N 6.030 126.455 120.400 0.041 0.000 2.352 1488 D HA 0.168 4.805 4.640 -0.006 0.000 0.245 1488 D C -0.948 175.390 176.300 0.063 0.000 1.224 1488 D CA -1.945 52.089 54.000 0.057 0.000 0.879 1488 D CB 1.002 41.850 40.800 0.081 0.000 1.057 1488 D HN 0.347 nan 8.370 nan 0.000 0.491 1489 P HA -0.080 nan 4.420 nan 0.000 0.239 1489 P C 0.365 177.636 177.300 -0.047 0.000 1.184 1489 P CA 0.551 63.650 63.100 -0.001 0.000 0.760 1489 P CB 0.506 32.218 31.700 0.019 0.000 0.884 1490 E N -0.286 119.909 120.200 -0.008 0.000 2.385 1490 E HA 0.022 4.369 4.350 -0.006 0.000 0.194 1490 E C 1.834 178.401 176.600 -0.056 0.000 1.013 1490 E CA 0.474 56.863 56.400 -0.018 0.000 0.866 1490 E CB -0.612 29.101 29.700 0.022 0.000 0.832 1490 E HN 0.263 nan 8.360 nan 0.000 0.500 1491 S N 1.033 116.730 115.700 -0.006 0.000 2.447 1491 S HA -0.097 4.370 4.470 -0.006 0.000 0.233 1491 S C 1.235 175.666 174.600 -0.282 0.000 1.006 1491 S CA 0.145 58.383 58.200 0.063 0.000 0.957 1491 S CB -0.146 63.274 63.200 0.366 0.000 0.773 1491 S HN 0.195 nan 8.310 nan 0.000 0.507 1492 R N 2.361 122.458 120.500 -0.672 0.000 2.484 1492 R HA 0.028 4.365 4.340 -0.006 0.000 0.293 1492 R C -0.471 174.990 176.300 -1.398 0.000 1.023 1492 R CA 0.509 55.596 56.100 -1.688 0.000 1.037 1492 R CB 0.203 29.650 30.300 -1.421 0.000 0.951 1492 R HN 0.327 nan 8.270 nan 0.000 0.418 1493 Q N 3.885 122.668 119.800 -1.695 0.000 2.307 1493 Q HA 0.275 4.612 4.340 -0.006 0.000 0.262 1493 Q C -1.063 174.503 176.000 -0.724 0.000 0.961 1493 Q CA -0.520 54.783 55.803 -0.832 0.000 0.882 1493 Q CB 1.614 30.109 28.738 -0.404 0.000 1.264 1493 Q HN 0.443 nan 8.270 nan 0.000 0.446 1494 F N 0.462 120.285 119.950 -0.212 0.000 2.457 1494 F HA 0.428 4.953 4.527 -0.004 0.000 0.330 1494 F C 1.297 177.068 175.800 -0.048 0.000 1.069 1494 F CA -0.222 57.708 58.000 -0.116 0.000 1.009 1494 F CB 0.840 39.776 39.000 -0.108 0.000 1.276 1494 F HN 0.779 nan 8.300 nan 0.000 0.492 1495 S N 0.705 116.517 115.700 0.187 0.000 3.524 1495 S HA -0.121 4.345 4.470 -0.006 0.000 0.377 1495 S C 0.128 174.779 174.600 0.085 0.000 0.949 1495 S CA 0.983 59.252 58.200 0.116 0.000 1.264 1495 S CB -2.021 61.249 63.200 0.118 0.000 0.918 1495 S HN 0.895 nan 8.310 nan 0.000 0.517 1496 T N 0.137 114.724 114.554 0.055 0.000 2.863 1496 T HA 0.652 4.998 4.350 -0.006 0.000 0.285 1496 T C 1.073 175.772 174.700 -0.001 0.000 1.009 1496 T CA -0.094 62.025 62.100 0.032 0.000 0.989 1496 T CB 1.058 69.946 68.868 0.034 0.000 1.004 1496 T HN 0.858 nan 8.240 nan 0.000 0.455 1497 L N 5.134 126.337 121.223 -0.033 0.000 1.976 1497 L HA 0.320 4.656 4.340 -0.006 0.000 0.209 1497 L C 0.975 177.803 176.870 -0.070 0.000 1.071 1497 L CA 1.710 56.504 54.840 -0.076 0.000 0.746 1497 L CB -0.314 41.659 42.059 -0.144 0.000 0.890 1497 L HN 0.705 nan 8.230 nan 0.000 0.432 1498 I N 1.714 122.270 120.570 -0.024 0.000 2.494 1498 I HA 0.087 4.254 4.170 -0.006 0.000 0.289 1498 I C -1.956 174.182 176.117 0.036 0.000 1.106 1498 I CA -1.752 59.576 61.300 0.046 0.000 1.369 1498 I CB 0.168 38.251 38.000 0.138 0.000 1.410 1498 I HN 0.101 nan 8.210 nan 0.000 0.523 1499 P HA -0.124 nan 4.420 nan 0.000 0.261 1499 P C 0.351 177.645 177.300 -0.010 0.000 1.203 1499 P CA 0.083 63.157 63.100 -0.043 0.000 0.767 1499 P CB 0.278 31.890 31.700 -0.146 0.000 0.785 1500 W N 5.771 126.989 121.300 -0.136 0.000 2.305 1500 W HA -0.327 4.330 4.660 -0.005 0.000 0.308 1500 W C 1.628 178.084 176.519 -0.105 0.000 1.226 1500 W CA 2.063 59.329 57.345 -0.131 0.000 1.253 1500 W CB -0.720 28.614 29.460 -0.209 0.000 1.146 1500 W HN 0.441 nan 8.180 nan 0.000 0.507 1501 C N -0.443 118.818 119.300 -0.064 0.000 2.511 1501 C HA 0.117 4.574 4.460 -0.006 0.000 0.277 1501 C C 2.098 176.882 174.990 -0.343 0.000 1.451 1501 C CA -0.004 58.858 59.018 -0.260 0.000 1.735 1501 C CB -1.930 25.807 27.740 -0.004 0.000 1.704 1501 C HN 0.312 nan 8.230 nan 0.000 0.571 1502 L N 0.905 121.867 121.223 -0.435 0.000 2.221 1502 L HA 0.208 4.545 4.340 -0.006 0.000 0.202 1502 L C -0.467 176.281 176.870 -0.202 0.000 1.074 1502 L CA 1.536 55.995 54.840 -0.634 0.000 0.795 1502 L CB -1.343 39.852 42.059 -1.440 0.000 0.960 1502 L HN 0.074 nan 8.230 nan 0.000 0.458 1503 P HA -0.095 nan 4.420 nan 0.000 0.237 1503 P C 1.274 178.608 177.300 0.055 0.000 1.178 1503 P CA 1.117 64.332 63.100 0.192 0.000 0.766 1503 P CB -0.066 31.791 31.700 0.262 0.000 0.876 1504 H N 0.146 119.045 119.070 -0.285 0.000 2.372 1504 H HA -0.002 4.551 4.556 -0.005 0.000 0.301 1504 H C 0.810 176.066 175.328 -0.119 0.000 1.065 1504 H CA 1.883 57.686 56.048 -0.408 0.000 1.364 1504 H CB 0.401 29.602 29.762 -0.934 0.000 1.406 1504 H HN 0.092 nan 8.280 nan 0.000 0.521 1505 T N -3.098 111.417 114.554 -0.066 0.000 3.145 1505 T HA 0.247 4.594 4.350 -0.006 0.000 0.281 1505 T C 1.765 176.631 174.700 0.278 0.000 1.003 1505 T CA 0.245 62.372 62.100 0.044 0.000 0.901 1505 T CB 0.432 69.349 68.868 0.081 0.000 1.112 1505 T HN 0.281 nan 8.240 nan 0.000 0.535 1506 G N 2.324 111.316 108.800 0.319 0.000 2.422 1506 G HA2 -0.199 3.758 3.960 -0.006 0.000 0.218 1506 G HA3 -0.199 3.758 3.960 -0.006 0.000 0.218 1506 G C 1.601 176.621 174.900 0.201 0.000 1.146 1506 G CA 0.448 45.725 45.100 0.294 0.000 0.769 1506 G HN 0.455 nan 8.290 nan 0.000 0.547 1507 N N 0.606 119.444 118.700 0.230 0.000 2.137 1507 N HA -0.088 4.649 4.740 -0.006 0.000 0.190 1507 N C 2.213 177.676 175.510 -0.079 0.000 1.017 1507 N CA 0.818 53.951 53.050 0.139 0.000 0.859 1507 N CB -0.237 38.334 38.487 0.139 0.000 1.002 1507 N HN 0.251 nan 8.380 nan 0.000 0.428 1508 R N -0.380 120.082 120.500 -0.063 0.000 2.299 1508 R HA 0.105 4.442 4.340 -0.006 0.000 0.197 1508 R C 0.381 176.391 176.300 -0.485 0.000 0.971 1508 R CA 0.580 56.557 56.100 -0.205 0.000 1.030 1508 R CB 0.187 30.406 30.300 -0.134 0.000 0.932 1508 R HN 0.417 nan 8.270 nan 0.000 0.477 1509 H N -1.130 117.634 119.070 -0.511 0.000 2.549 1509 H HA 0.163 4.716 4.556 -0.005 0.000 0.253 1509 H C -0.166 174.749 175.328 -0.689 0.000 1.170 1509 H CA -0.288 55.295 56.048 -0.774 0.000 0.943 1509 H CB 0.498 29.297 29.762 -1.605 0.000 1.849 1509 H HN 0.185 nan 8.280 nan 0.000 0.603 1510 N N 1.512 119.948 118.700 -0.439 0.000 2.850 1510 N HA -0.223 4.514 4.740 -0.006 0.000 0.249 1510 N C -0.747 174.609 175.510 -0.258 0.000 1.060 1510 N CA 0.869 53.690 53.050 -0.381 0.000 0.825 1510 N CB -0.982 37.371 38.487 -0.223 0.000 1.132 1510 N HN 0.665 nan 8.380 nan 0.000 0.564 1511 H N -2.967 116.052 119.070 -0.085 0.000 2.941 1511 H HA -0.185 4.367 4.556 -0.006 0.000 0.279 1511 H C 0.130 175.693 175.328 0.392 0.000 1.247 1511 H CA 1.249 57.378 56.048 0.135 0.000 1.129 1511 H CB -2.297 27.533 29.762 0.113 0.000 1.313 1511 H HN 0.600 nan 8.280 nan 0.000 0.384 1512 W N -1.677 119.829 121.300 0.343 0.000 6.105 1512 W HA -0.166 4.492 4.660 -0.004 0.000 0.377 1512 W C 1.040 177.800 176.519 0.403 0.000 1.366 1512 W CA 0.516 58.029 57.345 0.280 0.000 1.011 1512 W CB -1.699 27.807 29.460 0.077 0.000 2.481 1512 W HN 0.705 nan 8.180 nan 0.000 1.597 1513 A N 0.711 123.792 122.820 0.435 0.000 2.573 1513 A HA 0.369 4.686 4.320 -0.006 0.000 0.250 1513 A C 1.524 179.275 177.584 0.278 0.000 1.049 1513 A CA 1.624 53.840 52.037 0.299 0.000 0.767 1513 A CB -0.351 18.745 19.000 0.161 0.000 0.965 1513 A HN 1.639 nan 8.150 nan 0.000 0.514 1514 G N 1.350 110.313 108.800 0.272 0.000 2.259 1514 G HA2 -0.148 3.809 3.960 -0.006 0.000 0.217 1514 G HA3 -0.148 3.809 3.960 -0.006 0.000 0.217 1514 G C 0.075 175.122 174.900 0.244 0.000 1.001 1514 G CA 0.011 45.233 45.100 0.204 0.000 0.627 1514 G HN 0.911 nan 8.290 nan 0.000 0.501 1515 L N 0.755 122.195 121.223 0.361 0.000 2.540 1515 L HA 0.470 4.807 4.340 -0.006 0.000 0.276 1515 L C 1.270 178.392 176.870 0.420 0.000 1.212 1515 L CA 0.839 55.844 54.840 0.275 0.000 0.893 1515 L CB -0.769 41.386 42.059 0.159 0.000 1.138 1515 L HN 0.413 nan 8.230 nan 0.000 0.491 1516 Y N 0.173 120.549 120.300 0.127 0.000 4.177 1516 Y HA -0.215 4.331 4.550 -0.007 0.000 0.227 1516 Y C 1.180 177.150 175.900 0.116 0.000 1.154 1516 Y CA 0.793 58.966 58.100 0.122 0.000 1.887 1516 Y CB -1.664 36.898 38.460 0.170 0.000 1.594 1516 Y HN 0.719 nan 8.280 nan 0.000 0.668 1517 G N 0.593 109.501 108.800 0.181 0.000 2.425 1517 G HA2 0.644 4.601 3.960 -0.006 0.000 0.302 1517 G HA3 0.644 4.601 3.960 -0.006 0.000 0.302 1517 G C -0.205 174.713 174.900 0.029 0.000 1.159 1517 G CA -0.996 44.171 45.100 0.111 0.000 0.865 1517 G HN 0.212 nan 8.290 nan 0.000 0.515 1518 R N 0.544 121.040 120.500 -0.007 0.000 2.486 1518 R HA 0.400 4.737 4.340 -0.006 0.000 0.286 1518 R C -0.030 176.158 176.300 -0.186 0.000 0.999 1518 R CA -0.712 55.336 56.100 -0.086 0.000 0.993 1518 R CB 1.497 31.753 30.300 -0.073 0.000 1.084 1518 R HN 0.344 nan 8.270 nan 0.000 0.487 1519 L N 1.554 122.591 121.223 -0.309 0.000 2.472 1519 L HA 0.135 4.471 4.340 -0.006 0.000 0.260 1519 L C 0.612 177.214 176.870 -0.448 0.000 1.209 1519 L CA 0.052 54.633 54.840 -0.431 0.000 0.817 1519 L CB 0.302 41.980 42.059 -0.635 0.000 1.106 1519 L HN 0.665 nan 8.230 nan 0.000 0.479 1520 E N -0.248 119.705 120.200 -0.412 0.000 2.210 1520 E HA 0.132 4.479 4.350 -0.006 0.000 0.266 1520 E C -0.185 176.251 176.600 -0.273 0.000 0.883 1520 E CA -0.777 55.419 56.400 -0.340 0.000 0.761 1520 E CB 0.944 30.520 29.700 -0.207 0.000 1.156 1520 E HN 0.473 nan 8.360 nan 0.000 0.412 1521 W N 2.138 123.338 121.300 -0.166 0.000 2.304 1521 W HA -0.209 4.448 4.660 -0.006 0.000 0.315 1521 W C 1.212 177.640 176.519 -0.152 0.000 1.233 1521 W CA 1.038 58.288 57.345 -0.158 0.000 1.261 1521 W CB 0.105 29.482 29.460 -0.138 0.000 1.150 1521 W HN 0.614 nan 8.180 nan 0.000 0.494 1522 D N -0.884 119.571 120.400 0.091 0.000 2.340 1522 D HA 0.079 4.716 4.640 -0.006 0.000 0.220 1522 D C 1.325 177.588 176.300 -0.062 0.000 1.039 1522 D CA 0.715 54.717 54.000 0.003 0.000 0.866 1522 D CB -0.296 40.488 40.800 -0.026 0.000 0.913 1522 D HN 0.116 nan 8.370 nan 0.000 0.523 1523 G N 0.026 108.748 108.800 -0.130 0.000 3.022 1523 G HA2 0.541 4.498 3.960 -0.006 0.000 0.157 1523 G HA3 0.541 4.498 3.960 -0.006 0.000 0.157 1523 G C -0.368 174.452 174.900 -0.134 0.000 1.468 1523 G CA -0.496 44.427 45.100 -0.295 0.000 1.058 1523 G HN 0.195 nan 8.290 nan 0.000 0.581 1524 F N -3.367 116.553 119.950 -0.050 0.000 2.693 1524 F HA 0.664 5.187 4.527 -0.006 0.000 0.309 1524 F C -1.090 174.748 175.800 0.063 0.000 1.129 1524 F CA -1.855 56.189 58.000 0.073 0.000 0.948 1524 F CB 0.954 40.042 39.000 0.147 0.000 1.315 1524 F HN 0.324 nan 8.300 nan 0.000 0.447 1525 F N 1.554 121.696 119.950 0.320 0.000 2.496 1525 F HA 0.363 4.886 4.527 -0.006 0.000 0.344 1525 F C 0.998 176.976 175.800 0.296 0.000 1.155 1525 F CA 0.125 58.248 58.000 0.206 0.000 1.302 1525 F CB 0.938 40.023 39.000 0.140 0.000 1.159 1525 F HN 0.542 nan 8.300 nan 0.000 0.595 1526 S N 0.510 116.419 115.700 0.348 0.000 2.585 1526 S HA 0.087 4.553 4.470 -0.006 0.000 0.273 1526 S C -0.304 174.451 174.600 0.259 0.000 1.339 1526 S CA -0.979 57.389 58.200 0.279 0.000 1.028 1526 S CB 0.439 63.744 63.200 0.176 0.000 0.906 1526 S HN 0.631 nan 8.310 nan 0.000 0.528 1527 T N 3.355 118.016 114.554 0.180 0.000 2.591 1527 T HA -0.063 4.284 4.350 -0.006 0.000 0.245 1527 T C 0.540 175.312 174.700 0.119 0.000 1.031 1527 T CA 0.349 62.520 62.100 0.118 0.000 1.187 1527 T CB -0.704 68.210 68.868 0.077 0.000 1.014 1527 T HN 0.640 nan 8.240 nan 0.000 0.488 1528 T N 3.645 118.253 114.554 0.090 0.000 2.923 1528 T HA 0.114 4.461 4.350 -0.006 0.000 0.304 1528 T C 0.600 175.343 174.700 0.071 0.000 1.044 1528 T CA -0.306 61.839 62.100 0.076 0.000 1.141 1528 T CB 0.452 69.311 68.868 -0.015 0.000 1.023 1528 T HN 0.548 nan 8.240 nan 0.000 0.533 1529 V N 4.162 124.124 119.914 0.080 0.000 2.617 1529 V HA 0.368 4.485 4.120 -0.006 0.000 0.298 1529 V C 1.581 177.688 176.094 0.022 0.000 1.048 1529 V CA 0.222 62.547 62.300 0.041 0.000 0.964 1529 V CB 1.754 33.591 31.823 0.024 0.000 1.004 1529 V HN 1.153 nan 8.190 nan 0.000 0.466 1530 T N 1.930 116.488 114.554 0.007 0.000 3.043 1530 T HA 0.094 4.440 4.350 -0.006 0.000 0.263 1530 T C 0.611 175.300 174.700 -0.019 0.000 1.094 1530 T CA 0.754 62.864 62.100 0.017 0.000 1.127 1530 T CB -0.220 68.648 68.868 0.001 0.000 0.905 1530 T HN 0.580 nan 8.240 nan 0.000 0.490 1531 N N 1.688 120.337 118.700 -0.086 0.000 2.664 1531 N HA 0.355 5.092 4.740 -0.006 0.000 0.268 1531 N C -3.486 171.911 175.510 -0.187 0.000 1.222 1531 N CA -1.763 51.192 53.050 -0.157 0.000 0.805 1531 N CB 1.732 40.171 38.487 -0.080 0.000 1.399 1531 N HN -0.034 nan 8.380 nan 0.000 0.547 1532 P HA 0.143 nan 4.420 nan 0.000 0.263 1532 P C -0.762 176.439 177.300 -0.165 0.000 1.247 1532 P CA 0.376 63.351 63.100 -0.207 0.000 0.876 1532 P CB 0.337 31.886 31.700 -0.252 0.000 0.928 1533 E N 4.866 124.980 120.200 -0.142 0.000 2.158 1533 E HA 0.214 4.561 4.350 -0.006 0.000 0.271 1533 E C -1.775 174.693 176.600 -0.221 0.000 0.911 1533 E CA -2.251 54.049 56.400 -0.166 0.000 0.767 1533 E CB 1.629 31.243 29.700 -0.142 0.000 1.120 1533 E HN 0.173 nan 8.360 nan 0.000 0.405 1534 P HA -0.013 nan 4.420 nan 0.000 0.218 1534 P C 0.929 177.887 177.300 -0.571 0.000 1.149 1534 P CA 1.058 63.821 63.100 -0.563 0.000 0.817 1534 P CB 0.355 31.413 31.700 -1.071 0.000 0.785 1535 M N -0.771 118.545 119.600 -0.473 0.000 2.756 1535 M HA 0.298 4.775 4.480 -0.006 0.000 0.320 1535 M C 0.450 176.599 176.300 -0.253 0.000 1.245 1535 M CA -0.396 54.698 55.300 -0.343 0.000 0.972 1535 M CB 0.102 32.533 32.600 -0.282 0.000 1.327 1535 M HN -0.157 nan 8.290 nan 0.000 0.505 1536 G N 0.196 108.890 108.800 -0.176 0.000 2.557 1536 G HA2 0.262 4.219 3.960 -0.006 0.000 0.302 1536 G HA3 0.262 4.219 3.960 -0.006 0.000 0.302 1536 G C 0.331 175.216 174.900 -0.026 0.000 1.311 1536 G CA -0.395 44.643 45.100 -0.103 0.000 1.030 1536 G HN 0.162 nan 8.290 nan 0.000 0.509 1537 K N -0.433 119.986 120.400 0.032 0.000 1.991 1537 K HA -0.041 4.276 4.320 -0.006 0.000 0.212 1537 K C 1.601 178.256 176.600 0.092 0.000 1.049 1537 K CA 1.104 57.456 56.287 0.108 0.000 0.932 1537 K CB -0.191 32.372 32.500 0.105 0.000 0.717 1537 K HN 0.453 nan 8.250 nan 0.000 0.441 1538 Q N -0.066 119.766 119.800 0.054 0.000 2.402 1538 Q HA 0.166 4.503 4.340 -0.006 0.000 0.238 1538 Q C 0.607 176.620 176.000 0.022 0.000 1.126 1538 Q CA 0.166 55.999 55.803 0.051 0.000 0.904 1538 Q CB 0.934 29.702 28.738 0.049 0.000 1.357 1538 Q HN 0.426 nan 8.270 nan 0.000 0.491 1539 G N 2.463 111.283 108.800 0.034 0.000 2.850 1539 G HA2 -0.014 3.942 3.960 -0.006 0.000 0.211 1539 G HA3 -0.014 3.942 3.960 -0.006 0.000 0.211 1539 G C 0.685 175.581 174.900 -0.007 0.000 1.124 1539 G CA -0.253 44.846 45.100 -0.003 0.000 0.769 1539 G HN 0.349 nan 8.290 nan 0.000 0.535 1540 R N 0.978 121.483 120.500 0.009 0.000 2.609 1540 R HA 0.388 4.724 4.340 -0.006 0.000 0.271 1540 R C -0.154 176.106 176.300 -0.068 0.000 1.403 1540 R CA -0.076 56.007 56.100 -0.028 0.000 1.138 1540 R CB 0.577 30.853 30.300 -0.039 0.000 1.142 1540 R HN 0.117 nan 8.270 nan 0.000 0.559 1541 V N 3.928 123.800 119.914 -0.071 0.000 3.443 1541 V HA 0.102 4.219 4.120 -0.006 0.000 0.277 1541 V C -0.005 176.058 176.094 -0.052 0.000 1.648 1541 V CA -0.093 62.172 62.300 -0.058 0.000 1.058 1541 V CB 0.558 32.349 31.823 -0.054 0.000 0.877 1541 V HN 0.523 nan 8.190 nan 0.000 0.417 1542 L N 1.122 122.314 121.223 -0.051 0.000 2.395 1542 L HA 0.395 4.732 4.340 -0.006 0.000 0.269 1542 L C 0.569 177.408 176.870 -0.051 0.000 1.133 1542 L CA -0.225 54.613 54.840 -0.003 0.000 0.812 1542 L CB 0.429 42.514 42.059 0.044 0.000 1.125 1542 L HN 0.281 nan 8.230 nan 0.000 0.452 1543 H N 3.834 122.853 119.070 -0.086 0.000 2.707 1543 H HA 0.062 4.615 4.556 -0.005 0.000 0.359 1543 H C -1.858 173.331 175.328 -0.231 0.000 1.113 1543 H CA -1.310 54.642 56.048 -0.159 0.000 1.422 1543 H CB 1.804 31.519 29.762 -0.078 0.000 1.443 1543 H HN 0.317 nan 8.280 nan 0.000 0.591 1544 P HA -0.159 nan 4.420 nan 0.000 0.216 1544 P C 0.491 177.689 177.300 -0.171 0.000 1.154 1544 P CA 1.904 64.593 63.100 -0.685 0.000 0.865 1544 P CB 0.383 31.074 31.700 -1.682 0.000 0.789 1545 E N -2.158 118.167 120.200 0.208 0.000 2.354 1545 E HA 0.079 4.426 4.350 -0.006 0.000 0.203 1545 E C 0.625 177.267 176.600 0.070 0.000 0.841 1545 E CA -0.011 56.515 56.400 0.211 0.000 1.046 1545 E CB 0.163 30.053 29.700 0.317 0.000 1.040 1545 E HN 0.348 nan 8.360 nan 0.000 0.504 1546 Q N 1.038 120.868 119.800 0.049 0.000 2.260 1546 Q HA 0.199 4.535 4.340 -0.006 0.000 0.242 1546 Q C -0.505 175.448 176.000 -0.079 0.000 0.932 1546 Q CA -0.266 55.371 55.803 -0.276 0.000 0.891 1546 Q CB 0.736 29.210 28.738 -0.440 0.000 1.222 1546 Q HN 0.212 nan 8.270 nan 0.000 0.453 1547 H N 2.458 121.526 119.070 -0.004 0.000 2.553 1547 H HA 0.252 4.804 4.556 -0.006 0.000 0.222 1547 H C -0.312 175.029 175.328 0.022 0.000 1.779 1547 H CA -0.114 55.945 56.048 0.019 0.000 1.241 1547 H CB -0.591 29.175 29.762 0.006 0.000 1.647 1547 H HN 0.542 nan 8.280 nan 0.000 0.523 1548 R N -1.510 119.064 120.500 0.123 0.000 2.781 1548 R HA 0.588 4.925 4.340 -0.006 0.000 0.268 1548 R C -0.535 175.809 176.300 0.074 0.000 1.047 1548 R CA -1.048 55.097 56.100 0.074 0.000 0.925 1548 R CB 1.084 31.398 30.300 0.023 0.000 1.246 1548 R HN 0.006 nan 8.270 nan 0.000 0.456 1549 V N -0.722 119.218 119.914 0.044 0.000 3.441 1549 V HA 0.543 4.660 4.120 -0.006 0.000 0.300 1549 V C 0.828 176.964 176.094 0.070 0.000 1.062 1549 V CA -0.539 61.782 62.300 0.034 0.000 1.064 1549 V CB 0.976 32.792 31.823 -0.011 0.000 1.197 1549 V HN 0.644 nan 8.190 nan 0.000 0.451 1550 V N 0.554 120.522 119.914 0.090 0.000 2.963 1550 V HA 0.519 4.635 4.120 -0.006 0.000 0.306 1550 V C 0.610 176.800 176.094 0.160 0.000 1.077 1550 V CA 0.270 62.668 62.300 0.163 0.000 1.124 1550 V CB 0.367 32.338 31.823 0.247 0.000 0.987 1550 V HN 1.466 nan 8.190 nan 0.000 0.487 1551 S N 2.223 117.996 115.700 0.121 0.000 2.616 1551 S HA 0.417 4.884 4.470 -0.006 0.000 0.277 1551 S C 0.885 175.521 174.600 0.060 0.000 1.234 1551 S CA -0.178 58.034 58.200 0.020 0.000 1.028 1551 S CB 1.486 64.518 63.200 -0.280 0.000 0.988 1551 S HN 0.791 nan 8.310 nan 0.000 0.522 1552 V N 1.960 121.791 119.914 -0.138 0.000 2.278 1552 V HA -0.240 3.877 4.120 -0.006 0.000 0.251 1552 V C 2.913 178.928 176.094 -0.131 0.000 1.062 1552 V CA 2.561 64.643 62.300 -0.364 0.000 1.038 1552 V CB -1.178 30.344 31.823 -0.501 0.000 0.646 1552 V HN 0.959 nan 8.190 nan 0.000 0.447 1553 R N 0.367 120.872 120.500 0.009 0.000 2.080 1553 R HA -0.198 4.138 4.340 -0.006 0.000 0.236 1553 R C 2.228 178.631 176.300 0.171 0.000 1.137 1553 R CA 2.151 58.337 56.100 0.143 0.000 0.943 1553 R CB -0.601 29.864 30.300 0.276 0.000 0.846 1553 R HN 0.654 nan 8.270 nan 0.000 0.431 1554 E N -0.942 119.389 120.200 0.217 0.000 2.070 1554 E HA -0.249 4.097 4.350 -0.006 0.000 0.197 1554 E C 2.146 178.820 176.600 0.123 0.000 1.004 1554 E CA 1.669 58.222 56.400 0.255 0.000 0.805 1554 E CB -0.230 29.675 29.700 0.340 0.000 0.744 1554 E HN 0.402 nan 8.360 nan 0.000 0.451 1555 C N 0.445 119.796 119.300 0.085 0.000 2.425 1555 C HA -0.076 4.381 4.460 -0.006 0.000 0.277 1555 C C 2.830 177.792 174.990 -0.048 0.000 1.280 1555 C CA 0.703 59.703 59.018 -0.029 0.000 1.744 1555 C CB -0.950 26.836 27.740 0.078 0.000 1.989 1555 C HN 0.511 nan 8.230 nan 0.000 0.491 1556 A N 0.084 122.911 122.820 0.012 0.000 2.015 1556 A HA -0.126 4.191 4.320 -0.006 0.000 0.219 1556 A C 2.287 180.000 177.584 0.215 0.000 1.163 1556 A CA 1.181 53.307 52.037 0.147 0.000 0.646 1556 A CB -0.374 18.730 19.000 0.175 0.000 0.806 1556 A HN 0.598 nan 8.150 nan 0.000 0.448 1557 R N 0.032 120.612 120.500 0.133 0.000 2.127 1557 R HA -0.046 4.291 4.340 -0.006 0.000 0.217 1557 R C 2.464 178.847 176.300 0.138 0.000 1.074 1557 R CA 1.355 57.565 56.100 0.183 0.000 0.991 1557 R CB -0.473 29.972 30.300 0.242 0.000 0.895 1557 R HN 0.717 nan 8.270 nan 0.000 0.450 1558 S N 0.554 116.152 115.700 -0.170 0.000 2.423 1558 S HA -0.055 4.411 4.470 -0.006 0.000 0.231 1558 S C 1.108 175.602 174.600 -0.175 0.000 1.014 1558 S CA 0.443 58.393 58.200 -0.417 0.000 0.965 1558 S CB 0.035 62.440 63.200 -1.324 0.000 0.785 1558 S HN 0.134 nan 8.310 nan 0.000 0.495 1559 Q N 0.473 120.221 119.800 -0.088 0.000 2.222 1559 Q HA 0.433 4.770 4.340 -0.006 0.000 0.211 1559 Q C 0.933 176.910 176.000 -0.039 0.000 1.013 1559 Q CA 0.241 55.995 55.803 -0.081 0.000 0.993 1559 Q CB 0.327 29.032 28.738 -0.055 0.000 1.151 1559 Q HN 0.413 nan 8.270 nan 0.000 0.544 1560 G N 0.165 108.843 108.800 -0.203 0.000 3.440 1560 G HA2 0.194 4.150 3.960 -0.006 0.000 0.263 1560 G HA3 0.194 4.150 3.960 -0.006 0.000 0.263 1560 G C -0.279 174.498 174.900 -0.205 0.000 1.236 1560 G CA -0.326 44.697 45.100 -0.129 0.000 0.927 1560 G HN 0.284 nan 8.290 nan 0.000 0.530 1561 F N 1.468 121.385 119.950 -0.055 0.000 2.533 1561 F HA 0.216 4.741 4.527 -0.005 0.000 0.378 1561 F C -1.514 174.254 175.800 -0.054 0.000 1.070 1561 F CA -1.922 56.036 58.000 -0.071 0.000 1.172 1561 F CB 0.942 39.978 39.000 0.059 0.000 1.085 1561 F HN 0.015 nan 8.300 nan 0.000 0.552 1562 P HA -0.042 nan 4.420 nan 0.000 0.268 1562 P C -0.074 177.288 177.300 0.105 0.000 1.208 1562 P CA 0.091 63.217 63.100 0.043 0.000 0.777 1562 P CB 0.698 32.425 31.700 0.044 0.000 0.875 1563 D N -0.253 120.180 120.400 0.055 0.000 2.312 1563 D HA -0.080 4.557 4.640 -0.006 0.000 0.211 1563 D C 1.553 177.883 176.300 0.050 0.000 0.964 1563 D CA 1.093 55.152 54.000 0.098 0.000 0.877 1563 D CB -0.345 40.546 40.800 0.152 0.000 0.924 1563 D HN 0.240 nan 8.370 nan 0.000 0.515 1564 S N -0.126 115.585 115.700 0.019 0.000 2.368 1564 S HA -0.173 4.294 4.470 -0.006 0.000 0.225 1564 S C 0.812 175.351 174.600 -0.101 0.000 1.030 1564 S CA 0.189 58.369 58.200 -0.034 0.000 0.999 1564 S CB -0.471 62.709 63.200 -0.035 0.000 0.844 1564 S HN 0.331 nan 8.310 nan 0.000 0.459 1565 Y N 3.998 124.180 120.300 -0.197 0.000 2.810 1565 Y HA 0.015 4.561 4.550 -0.006 0.000 0.332 1565 Y C 0.536 176.009 175.900 -0.712 0.000 1.243 1565 Y CA 0.142 58.017 58.100 -0.376 0.000 1.537 1565 Y CB 0.387 38.670 38.460 -0.295 0.000 1.265 1565 Y HN 0.020 nan 8.280 nan 0.000 0.572 1566 R N 6.236 126.234 120.500 -0.837 0.000 2.312 1566 R HA 0.320 4.657 4.340 -0.006 0.000 0.311 1566 R C -1.329 174.513 176.300 -0.764 0.000 1.004 1566 R CA -0.607 55.094 56.100 -0.666 0.000 0.902 1566 R CB 0.458 30.512 30.300 -0.409 0.000 1.073 1566 R HN 0.485 nan 8.270 nan 0.000 0.457 1567 F N 1.584 121.498 119.950 -0.061 0.000 2.541 1567 F HA 0.564 5.088 4.527 -0.006 0.000 0.331 1567 F C -0.030 175.795 175.800 0.042 0.000 1.057 1567 F CA -1.167 56.816 58.000 -0.027 0.000 0.975 1567 F CB 0.948 39.900 39.000 -0.080 0.000 1.246 1567 F HN 0.318 nan 8.300 nan 0.000 0.484 1568 F N 0.296 120.286 119.950 0.067 0.000 2.569 1568 F HA 0.742 5.267 4.527 -0.004 0.000 0.312 1568 F C -0.045 175.714 175.800 -0.068 0.000 1.109 1568 F CA -0.177 57.801 58.000 -0.035 0.000 0.919 1568 F CB 1.697 40.648 39.000 -0.082 0.000 1.211 1568 F HN 0.802 nan 8.300 nan 0.000 0.446 1569 G N 4.069 112.417 108.800 -0.752 0.000 2.422 1569 G HA2 -0.029 3.928 3.960 -0.006 0.000 0.607 1569 G HA3 -0.029 3.928 3.960 -0.006 0.000 0.607 1569 G C -1.226 173.498 174.900 -0.294 0.000 1.270 1569 G CA -0.606 44.184 45.100 -0.516 0.000 0.992 1569 G HN 1.146 nan 8.290 nan 0.000 0.499 1570 N N -0.449 118.150 118.700 -0.168 0.000 2.285 1570 N HA 0.268 5.005 4.740 -0.006 0.000 0.262 1570 N C 1.778 177.255 175.510 -0.055 0.000 1.299 1570 N CA 0.111 53.104 53.050 -0.095 0.000 0.930 1570 N CB 0.537 38.999 38.487 -0.042 0.000 1.157 1570 N HN 1.009 nan 8.380 nan 0.000 0.532 1571 I N -0.667 119.888 120.570 -0.026 0.000 2.315 1571 I HA -0.176 3.991 4.170 -0.006 0.000 0.248 1571 I C 1.851 178.008 176.117 0.068 0.000 1.117 1571 I CA 0.927 62.218 61.300 -0.015 0.000 1.404 1571 I CB 0.002 38.011 38.000 0.016 0.000 1.071 1571 I HN 0.415 nan 8.210 nan 0.000 0.419 1572 L N 0.232 121.524 121.223 0.114 0.000 2.072 1572 L HA -0.197 4.140 4.340 -0.006 0.000 0.205 1572 L C 2.118 179.115 176.870 0.212 0.000 1.079 1572 L CA 1.176 56.120 54.840 0.173 0.000 0.752 1572 L CB -0.895 41.243 42.059 0.131 0.000 0.906 1572 L HN 0.231 nan 8.230 nan 0.000 0.436 1573 D N 0.262 120.777 120.400 0.191 0.000 2.104 1573 D HA -0.166 4.471 4.640 -0.006 0.000 0.194 1573 D C 2.327 178.743 176.300 0.194 0.000 0.994 1573 D CA 1.227 55.388 54.000 0.269 0.000 0.830 1573 D CB -0.092 40.735 40.800 0.046 0.000 0.959 1573 D HN 0.203 nan 8.370 nan 0.000 0.452 1574 R N -0.396 120.126 120.500 0.037 0.000 2.073 1574 R HA -0.100 4.237 4.340 -0.006 0.000 0.234 1574 R C 2.373 178.574 176.300 -0.164 0.000 1.134 1574 R CA 0.954 56.999 56.100 -0.091 0.000 0.952 1574 R CB -0.371 29.822 30.300 -0.179 0.000 0.850 1574 R HN 0.360 nan 8.270 nan 0.000 0.433 1575 H N 0.456 119.488 119.070 -0.063 0.000 2.319 1575 H HA -0.155 4.398 4.556 -0.006 0.000 0.297 1575 H C 2.221 177.535 175.328 -0.023 0.000 1.097 1575 H CA 1.934 57.941 56.048 -0.068 0.000 1.285 1575 H CB -0.092 29.655 29.762 -0.025 0.000 1.368 1575 H HN 0.156 nan 8.280 nan 0.000 0.495 1576 R N 0.998 121.621 120.500 0.204 0.000 2.073 1576 R HA -0.138 4.198 4.340 -0.006 0.000 0.234 1576 R C 2.328 178.746 176.300 0.197 0.000 1.134 1576 R CA 1.623 57.828 56.100 0.175 0.000 0.952 1576 R CB -0.000 30.408 30.300 0.181 0.000 0.850 1576 R HN 0.386 nan 8.270 nan 0.000 0.433 1577 Q N -0.219 119.745 119.800 0.273 0.000 2.096 1577 Q HA -0.144 4.193 4.340 -0.006 0.000 0.204 1577 Q C 2.184 178.259 176.000 0.124 0.000 0.982 1577 Q CA 1.909 57.867 55.803 0.259 0.000 0.850 1577 Q CB -0.052 28.837 28.738 0.252 0.000 0.901 1577 Q HN 0.207 nan 8.270 nan 0.000 0.422 1578 V N 0.598 120.469 119.914 -0.072 0.000 2.244 1578 V HA -0.200 3.916 4.120 -0.006 0.000 0.244 1578 V C 2.312 178.457 176.094 0.085 0.000 1.042 1578 V CA 2.042 64.285 62.300 -0.095 0.000 1.006 1578 V CB -1.388 30.239 31.823 -0.327 0.000 0.641 1578 V HN 0.561 nan 8.190 nan 0.000 0.446 1579 G N 0.265 109.100 108.800 0.057 0.000 2.469 1579 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.220 1579 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.220 1579 G C 1.399 176.337 174.900 0.063 0.000 1.136 1579 G CA 1.156 46.293 45.100 0.062 0.000 0.759 1579 G HN 0.512 nan 8.290 nan 0.000 0.562 1580 N N 0.884 119.634 118.700 0.083 0.000 2.446 1580 N HA 0.142 4.879 4.740 -0.006 0.000 0.179 1580 N C 1.203 176.759 175.510 0.077 0.000 1.054 1580 N CA 0.593 53.685 53.050 0.069 0.000 0.905 1580 N CB -0.012 38.523 38.487 0.079 0.000 0.973 1580 N HN 0.366 nan 8.380 nan 0.000 0.448 1581 A N 0.544 123.441 122.820 0.128 0.000 2.386 1581 A HA 0.338 4.654 4.320 -0.006 0.000 0.248 1581 A C 0.308 177.894 177.584 0.003 0.000 1.082 1581 A CA -0.363 51.750 52.037 0.128 0.000 0.789 1581 A CB 0.560 19.756 19.000 0.328 0.000 1.025 1581 A HN -0.032 nan 8.150 nan 0.000 0.490 1582 V N 3.447 123.322 119.914 -0.066 0.000 2.508 1582 V HA 0.164 4.280 4.120 -0.006 0.000 0.281 1582 V C -2.042 173.903 176.094 -0.249 0.000 1.041 1582 V CA -0.954 61.258 62.300 -0.146 0.000 1.016 1582 V CB 0.701 32.419 31.823 -0.176 0.000 0.984 1582 V HN 0.730 nan 8.190 nan 0.000 0.478 1583 P HA 0.082 nan 4.420 nan 0.000 0.260 1583 P C -2.050 175.044 177.300 -0.344 0.000 1.185 1583 P CA -0.867 62.038 63.100 -0.325 0.000 0.763 1583 P CB 0.173 31.751 31.700 -0.204 0.000 0.776 1584 P HA -0.163 nan 4.420 nan 0.000 0.214 1584 P C -1.181 176.003 177.300 -0.193 0.000 1.163 1584 P CA 2.400 65.292 63.100 -0.347 0.000 0.889 1584 P CB -1.624 29.826 31.700 -0.416 0.000 0.790 1585 P HA -0.191 nan 4.420 nan 0.000 0.217 1585 P C 1.612 178.872 177.300 -0.066 0.000 1.151 1585 P CA 1.093 64.165 63.100 -0.046 0.000 0.849 1585 P CB -0.435 31.270 31.700 0.008 0.000 0.787 1586 L N -0.499 120.642 121.223 -0.137 0.000 2.044 1586 L HA 0.037 4.374 4.340 -0.006 0.000 0.205 1586 L C 2.234 178.965 176.870 -0.232 0.000 1.075 1586 L CA 2.014 56.707 54.840 -0.245 0.000 0.747 1586 L CB -1.630 40.294 42.059 -0.224 0.000 0.903 1586 L HN -0.126 nan 8.230 nan 0.000 0.435 1587 A N -0.632 122.091 122.820 -0.162 0.000 1.972 1587 A HA -0.250 4.067 4.320 -0.006 0.000 0.219 1587 A C 2.444 180.066 177.584 0.062 0.000 1.169 1587 A CA 1.910 53.915 52.037 -0.053 0.000 0.635 1587 A CB -0.624 18.292 19.000 -0.141 0.000 0.810 1587 A HN 0.522 nan 8.150 nan 0.000 0.446 1588 K N -0.341 120.043 120.400 -0.027 0.000 2.062 1588 K HA -0.017 4.300 4.320 -0.006 0.000 0.205 1588 K C 2.172 178.732 176.600 -0.066 0.000 1.051 1588 K CA 1.033 57.308 56.287 -0.020 0.000 0.941 1588 K CB -0.302 32.186 32.500 -0.020 0.000 0.719 1588 K HN 0.354 nan 8.250 nan 0.000 0.440 1589 A N 1.497 124.250 122.820 -0.112 0.000 1.902 1589 A HA -0.139 4.178 4.320 -0.006 0.000 0.217 1589 A C 2.062 179.530 177.584 -0.194 0.000 1.181 1589 A CA 1.392 53.341 52.037 -0.147 0.000 0.623 1589 A CB -0.536 18.274 19.000 -0.316 0.000 0.818 1589 A HN 0.325 nan 8.150 nan 0.000 0.443 1590 I N -0.422 120.010 120.570 -0.230 0.000 2.142 1590 I HA -0.199 3.967 4.170 -0.006 0.000 0.240 1590 I C 2.784 178.749 176.117 -0.253 0.000 1.078 1590 I CA 1.139 62.303 61.300 -0.226 0.000 1.343 1590 I CB -0.852 37.064 38.000 -0.140 0.000 1.046 1590 I HN 0.396 nan 8.210 nan 0.000 0.405 1591 G N 1.379 109.998 108.800 -0.302 0.000 2.513 1591 G HA2 -0.252 3.704 3.960 -0.006 0.000 0.219 1591 G HA3 -0.252 3.704 3.960 -0.006 0.000 0.219 1591 G C 1.695 176.391 174.900 -0.339 0.000 1.160 1591 G CA 0.813 45.582 45.100 -0.551 0.000 0.767 1591 G HN 0.303 nan 8.290 nan 0.000 0.571 1592 L N 0.164 121.267 121.223 -0.199 0.000 2.191 1592 L HA -0.029 4.308 4.340 -0.006 0.000 0.212 1592 L C 2.860 179.659 176.870 -0.119 0.000 1.103 1592 L CA 0.718 55.480 54.840 -0.130 0.000 0.769 1592 L CB -0.264 41.756 42.059 -0.064 0.000 0.908 1592 L HN 0.131 nan 8.230 nan 0.000 0.438 1593 E N 0.398 120.518 120.200 -0.133 0.000 2.072 1593 E HA -0.154 4.192 4.350 -0.006 0.000 0.191 1593 E C 2.270 178.793 176.600 -0.129 0.000 0.985 1593 E CA 1.214 57.555 56.400 -0.099 0.000 0.801 1593 E CB -0.095 29.549 29.700 -0.093 0.000 0.750 1593 E HN 0.536 nan 8.360 nan 0.000 0.452 1594 I N 0.705 121.134 120.570 -0.234 0.000 2.546 1594 I HA -0.200 3.967 4.170 -0.006 0.000 0.255 1594 I C 2.482 178.428 176.117 -0.285 0.000 1.163 1594 I CA 0.721 61.818 61.300 -0.338 0.000 1.457 1594 I CB -0.188 37.484 38.000 -0.547 0.000 1.092 1594 I HN 0.031 nan 8.210 nan 0.000 0.434 1595 K N 1.363 121.632 120.400 -0.218 0.000 2.152 1595 K HA -0.150 4.167 4.320 -0.006 0.000 0.206 1595 K C 2.046 178.597 176.600 -0.082 0.000 1.048 1595 K CA 1.233 57.433 56.287 -0.145 0.000 0.933 1595 K CB 0.007 32.439 32.500 -0.114 0.000 0.721 1595 K HN 0.293 nan 8.250 nan 0.000 0.447 1596 L N -0.111 121.074 121.223 -0.062 0.000 2.313 1596 L HA -0.147 4.190 4.340 -0.006 0.000 0.214 1596 L C 2.128 179.003 176.870 0.008 0.000 1.119 1596 L CA 0.428 55.258 54.840 -0.016 0.000 0.809 1596 L CB -0.071 41.986 42.059 -0.002 0.000 0.933 1596 L HN 0.291 nan 8.230 nan 0.000 0.449 1597 C N -0.590 118.708 119.300 -0.003 0.000 2.514 1597 C HA 0.061 4.518 4.460 -0.006 0.000 0.271 1597 C C 2.381 177.437 174.990 0.109 0.000 1.399 1597 C CA 0.008 59.073 59.018 0.079 0.000 1.765 1597 C CB -0.635 27.186 27.740 0.135 0.000 1.893 1597 C HN 0.446 nan 8.230 nan 0.000 0.531 1598 L N -0.465 120.774 121.223 0.026 0.000 2.416 1598 L HA 0.118 4.455 4.340 -0.006 0.000 0.216 1598 L C 1.898 178.798 176.870 0.050 0.000 1.098 1598 L CA 0.474 55.348 54.840 0.056 0.000 0.840 1598 L CB -0.296 41.762 42.059 -0.002 0.000 0.981 1598 L HN 0.215 nan 8.230 nan 0.000 0.462 1599 L N 0.097 121.338 121.223 0.029 0.000 2.629 1599 L HA 0.337 4.674 4.340 -0.006 0.000 0.230 1599 L C 1.435 178.327 176.870 0.037 0.000 1.151 1599 L CA 0.155 55.011 54.840 0.028 0.000 0.924 1599 L CB -0.884 41.183 42.059 0.013 0.000 1.137 1599 L HN 0.146 nan 8.230 nan 0.000 0.457 1600 S N 0.000 115.731 115.700 0.052 0.000 2.498 1600 S HA 0.000 4.467 4.470 -0.006 0.000 0.327 1600 S CA 0.000 58.232 58.200 0.054 0.000 1.107 1600 S CB 0.000 63.243 63.200 0.071 0.000 0.593 1600 S HN 0.000 nan 8.310 nan 0.000 0.517