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 2win_1_D DATA FIRST_RESID 729 DATA SEQUENCE LDEDIIAEEN IVSRSEFPES WLWNVEDLKE PPKNGISTKL MNIFLKDSIT DATA SEQUENCE TWEILAVSMS DKKGICVADP FEVTVMQDFF IDLRLPYSVV RNEQVEIRAV DATA SEQUENCE LYNYRQNQEL KVRVELLHNP AFcSLATTKR RHQQTVTIPP KSSLSVPYVI DATA SEQUENCE VPLKTGLQEV EVKAAVYHHF ISDGVRKSLK VVPEGIRMNK TVAVRTLDPE DATA SEQUENCE RLGREGVQKE DIPPADLSDQ VPDTESETRI LLQGTPVAQM TEDAVDAERL DATA SEQUENCE KHLIVTPSGC GEQNMIGMTP TVIAVHYLDE TEQWEKFGLE KRQGALELIK DATA SEQUENCE KGYTQQLAFR QPSXXXXAFV KRAPSTWLTA YVVKVFSLAV NLIAIDSQVL DATA SEQUENCE cGAVKWLILE KQKPDGVFQE DAPVIHQEMI GGLRNNNEKD MALTAFVLIS DATA SEQUENCE LQEAKDIcEE QVNSLPGSIT KAGDFLEANY MNLQRSYTVA IAGYALAQMG DATA SEQUENCE RLKGPLLNKF LTTAKDKNRW EDPGKQLYNV EATSYALLAL LQLKDFDFVP DATA SEQUENCE PVVRWLNEQR YYGGGYGSTQ ATFMVFQALA QYQKDAPDHQ ELNLDVSLQL DATA SEQUENCE PSRSSKITHR IHWESASLLR SEETKENEGF TVTAEGKGQG TLSVVTMYHA DATA SEQUENCE KAKDQLTcNK FDLKVTIKPA PXXXXXXQDA KNTMILEIcT RYRGDQDATM DATA SEQUENCE SILDISMMTG FAPDTDDLKQ LANGVDRYIS KYELDKAFSD RNTLIIYLDK DATA SEQUENCE VSHSEDDcLA FKVHQYFNVE LIQPGAVKVY AYYNLEEScT RFYHPEKEDG DATA SEQUENCE KLNKLcRDEL cRcAEENcFI XXSDDKVTLE ERLDKAcEPG VDYVYKTRLV DATA SEQUENCE KVQLSNDFDE YIMAIEQTIK SGSDEVQVGQ QRTFISPIKc REALKLEEKK DATA SEQUENCE HYLMWGLSSD FWGEKPNLSY IIGKDTWVEH WPEEDEcQDE ENQKQcQDLG DATA SEQUENCE AFTESMVVFG cPN 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 729 L HA 0.000 nan 4.340 nan 0.000 0.249 729 L C 0.000 176.880 176.870 0.017 0.000 1.165 729 L CA 0.000 54.847 54.840 0.012 0.000 0.813 729 L CB 0.000 42.065 42.059 0.010 0.000 0.961 730 D N -0.402 120.007 120.400 0.014 0.000 2.389 730 D HA 0.158 4.798 4.640 -0.001 0.000 0.206 730 D C 0.790 177.098 176.300 0.013 0.000 1.055 730 D CA 0.704 54.717 54.000 0.021 0.000 0.856 730 D CB 0.684 41.497 40.800 0.022 0.000 0.957 730 D HN 0.787 nan 8.370 nan 0.000 0.509 731 E N 0.564 120.758 120.200 -0.011 0.000 2.442 731 E HA -0.064 4.285 4.350 -0.001 0.000 0.260 731 E C -0.118 176.425 176.600 -0.094 0.000 1.148 731 E CA 0.104 56.477 56.400 -0.045 0.000 0.976 731 E CB 0.443 30.105 29.700 -0.062 0.000 0.967 731 E HN 0.008 nan 8.360 nan 0.000 0.454 732 D N 2.003 122.300 120.400 -0.171 0.000 3.032 732 D HA 0.184 4.824 4.640 -0.001 0.000 0.241 732 D C -0.767 175.205 176.300 -0.546 0.000 1.196 732 D CA 0.327 54.149 54.000 -0.296 0.000 0.927 732 D CB -0.600 40.014 40.800 -0.310 0.000 1.129 732 D HN 0.292 nan 8.370 nan 0.000 0.458 733 I N -0.231 120.076 120.570 -0.438 0.000 3.334 733 I HA 0.337 4.506 4.170 -0.001 0.000 0.316 733 I C -1.236 174.751 176.117 -0.216 0.000 1.251 733 I CA -1.217 59.794 61.300 -0.482 0.000 0.929 733 I CB 1.735 39.335 38.000 -0.667 0.000 1.317 733 I HN -0.303 nan 8.210 nan 0.000 0.479 734 I N 2.783 123.263 120.570 -0.150 0.000 2.359 734 I HA 0.502 4.672 4.170 -0.001 0.000 0.294 734 I C 0.548 176.649 176.117 -0.027 0.000 0.987 734 I CA 0.009 61.302 61.300 -0.011 0.000 1.225 734 I CB 1.473 39.506 38.000 0.054 0.000 1.366 734 I HN 0.520 nan 8.210 nan 0.000 0.466 735 A N 4.803 127.625 122.820 0.003 0.000 2.366 735 A HA 0.171 4.490 4.320 -0.001 0.000 0.250 735 A C 1.396 178.993 177.584 0.021 0.000 1.099 735 A CA -0.125 51.915 52.037 0.005 0.000 0.794 735 A CB 0.207 19.217 19.000 0.017 0.000 1.056 735 A HN 0.812 nan 8.150 nan 0.000 0.499 736 E N -0.080 120.135 120.200 0.025 0.000 2.150 736 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 736 E C 1.136 177.760 176.600 0.040 0.000 0.985 736 E CA 1.583 58.005 56.400 0.037 0.000 0.814 736 E CB -0.021 29.703 29.700 0.041 0.000 0.752 736 E HN 0.718 nan 8.360 nan 0.000 0.466 737 E N 0.087 120.309 120.200 0.037 0.000 2.478 737 E HA -0.004 4.346 4.350 -0.001 0.000 0.198 737 E C 0.766 177.389 176.600 0.038 0.000 1.046 737 E CA 0.455 56.877 56.400 0.036 0.000 0.870 737 E CB -0.097 29.622 29.700 0.033 0.000 0.818 737 E HN 0.310 nan 8.360 nan 0.000 0.527 738 N N -0.395 118.330 118.700 0.041 0.000 2.187 738 N HA 0.219 4.959 4.740 -0.001 0.000 0.212 738 N C -0.590 174.953 175.510 0.055 0.000 1.152 738 N CA -0.085 52.993 53.050 0.046 0.000 0.872 738 N CB 0.822 39.340 38.487 0.051 0.000 1.025 738 N HN 0.024 nan 8.380 nan 0.000 0.514 739 I N 1.931 122.534 120.570 0.055 0.000 2.337 739 I HA 0.201 4.370 4.170 -0.001 0.000 0.285 739 I C -0.419 175.732 176.117 0.058 0.000 1.041 739 I CA -0.667 60.672 61.300 0.065 0.000 1.199 739 I CB 1.358 39.402 38.000 0.074 0.000 1.370 739 I HN -0.224 nan 8.210 nan 0.000 0.470 740 V N 5.756 125.702 119.914 0.053 0.000 2.415 740 V HA 0.083 4.202 4.120 -0.001 0.000 0.267 740 V C 0.753 176.875 176.094 0.046 0.000 1.042 740 V CA 0.010 62.335 62.300 0.042 0.000 1.000 740 V CB 0.727 32.568 31.823 0.030 0.000 1.015 740 V HN 0.718 nan 8.190 nan 0.000 0.478 741 S N 5.632 121.360 115.700 0.047 0.000 2.576 741 S HA 0.354 4.823 4.470 -0.001 0.000 0.276 741 S C 0.371 174.993 174.600 0.037 0.000 1.339 741 S CA -0.570 57.667 58.200 0.061 0.000 1.039 741 S CB 0.455 63.696 63.200 0.069 0.000 0.902 741 S HN 0.653 nan 8.310 nan 0.000 0.516 742 R N 1.435 121.973 120.500 0.064 0.000 2.298 742 R HA 0.243 4.582 4.340 -0.001 0.000 0.310 742 R C 0.877 177.099 176.300 -0.130 0.000 1.068 742 R CA -0.134 55.933 56.100 -0.054 0.000 0.957 742 R CB 0.664 30.974 30.300 0.018 0.000 1.003 742 R HN 0.820 nan 8.270 nan 0.000 0.454 743 S N 1.156 116.644 115.700 -0.353 0.000 2.670 743 S HA 0.026 4.496 4.470 -0.001 0.000 0.241 743 S C 0.236 174.519 174.600 -0.530 0.000 1.077 743 S CA -0.498 57.550 58.200 -0.254 0.000 0.899 743 S CB 0.257 63.413 63.200 -0.074 0.000 0.835 743 S HN 0.549 nan 8.310 nan 0.000 0.481 744 E N 1.570 121.409 120.200 -0.603 0.000 1.985 744 E HA 0.165 4.514 4.350 -0.001 0.000 0.268 744 E C -1.469 174.762 176.600 -0.615 0.000 1.219 744 E CA 0.018 56.144 56.400 -0.456 0.000 0.942 744 E CB -0.125 29.374 29.700 -0.334 0.000 1.045 744 E HN 0.472 nan 8.360 nan 0.000 0.413 745 F N 3.350 123.319 119.950 0.033 0.000 2.471 745 F HA 0.284 4.811 4.527 -0.001 0.000 0.318 745 F C -2.020 173.857 175.800 0.127 0.000 1.308 745 F CA -2.321 55.730 58.000 0.085 0.000 1.162 745 F CB 0.410 39.447 39.000 0.062 0.000 1.383 745 F HN 0.224 nan 8.300 nan 0.000 0.552 746 P HA 0.238 nan 4.420 nan 0.000 0.274 746 P C 0.475 178.033 177.300 0.431 0.000 1.231 746 P CA -0.247 63.015 63.100 0.270 0.000 0.790 746 P CB 1.247 33.051 31.700 0.173 0.000 0.951 747 E N -0.278 120.125 120.200 0.339 0.000 2.276 747 E HA 0.056 4.405 4.350 -0.001 0.000 0.193 747 E C -0.128 176.716 176.600 0.406 0.000 0.983 747 E CA 0.445 57.047 56.400 0.336 0.000 0.861 747 E CB 0.225 30.042 29.700 0.195 0.000 0.817 747 E HN 0.499 nan 8.360 nan 0.000 0.485 748 S N 0.531 116.449 115.700 0.364 0.000 2.689 748 S HA 0.412 4.882 4.470 -0.001 0.000 0.274 748 S C -0.846 173.944 174.600 0.317 0.000 1.176 748 S CA -1.160 57.220 58.200 0.300 0.000 1.014 748 S CB 0.690 63.986 63.200 0.160 0.000 1.071 748 S HN 0.342 nan 8.310 nan 0.000 0.478 749 W N 2.038 123.367 121.300 0.048 0.000 3.505 749 W HA 0.755 5.414 4.660 -0.001 0.000 0.338 749 W C -0.223 176.327 176.519 0.051 0.000 1.159 749 W CA -1.474 55.876 57.345 0.008 0.000 0.981 749 W CB -0.490 28.899 29.460 -0.118 0.000 1.575 749 W HN 1.040 nan 8.180 nan 0.000 0.608 750 L N 1.552 122.875 121.223 0.167 0.000 3.634 750 L HA -0.233 4.106 4.340 -0.001 0.000 0.423 750 L C 0.006 176.882 176.870 0.011 0.000 1.253 750 L CA 0.075 54.870 54.840 -0.076 0.000 0.885 750 L CB -1.508 40.145 42.059 -0.677 0.000 1.789 750 L HN 0.645 nan 8.230 nan 0.000 0.904 751 W N 2.527 123.802 121.300 -0.041 0.000 1.395 751 W HA 0.245 4.904 4.660 -0.001 0.000 0.451 751 W C 0.380 176.886 176.519 -0.023 0.000 0.619 751 W CA -0.291 57.034 57.345 -0.034 0.000 2.212 751 W CB -0.349 29.110 29.460 -0.002 0.000 1.537 751 W HN 0.514 nan 8.180 nan 0.000 0.275 752 N N 0.177 118.789 118.700 -0.146 0.000 2.518 752 N HA 0.521 5.261 4.740 -0.001 0.000 0.284 752 N C -1.364 174.008 175.510 -0.230 0.000 1.230 752 N CA -0.918 52.052 53.050 -0.134 0.000 0.941 752 N CB 2.126 40.578 38.487 -0.057 0.000 1.219 752 N HN -0.262 nan 8.380 nan 0.000 0.560 753 V N 1.178 121.001 119.914 -0.152 0.000 2.569 753 V HA 0.337 4.457 4.120 -0.001 0.000 0.301 753 V C -0.974 175.063 176.094 -0.095 0.000 1.044 753 V CA -0.628 61.583 62.300 -0.149 0.000 0.874 753 V CB 1.573 33.314 31.823 -0.136 0.000 1.002 753 V HN 0.589 nan 8.190 nan 0.000 0.424 754 E N 2.412 122.557 120.200 -0.092 0.000 2.248 754 E HA 0.545 4.894 4.350 -0.001 0.000 0.267 754 E C -1.600 174.963 176.600 -0.061 0.000 0.877 754 E CA -0.770 55.591 56.400 -0.066 0.000 0.759 754 E CB 2.835 32.499 29.700 -0.061 0.000 1.182 754 E HN 0.597 nan 8.360 nan 0.000 0.418 755 D N 1.532 121.904 120.400 -0.047 0.000 2.163 755 D HA 0.332 4.972 4.640 -0.001 0.000 0.248 755 D C -0.127 176.151 176.300 -0.037 0.000 1.035 755 D CA -0.439 53.536 54.000 -0.042 0.000 0.872 755 D CB 1.359 42.138 40.800 -0.035 0.000 1.183 755 D HN 0.178 nan 8.370 nan 0.000 0.445 756 L N 2.883 124.084 121.223 -0.037 0.000 2.397 756 L HA 0.236 4.576 4.340 -0.001 0.000 0.263 756 L C 1.208 178.062 176.870 -0.027 0.000 1.136 756 L CA -0.114 54.706 54.840 -0.033 0.000 1.019 756 L CB 0.206 42.244 42.059 -0.036 0.000 1.352 756 L HN 0.120 nan 8.230 nan 0.000 0.420 757 K N 0.797 121.182 120.400 -0.024 0.000 2.373 757 K HA 0.172 4.491 4.320 -0.001 0.000 0.202 757 K C 0.079 176.668 176.600 -0.018 0.000 1.025 757 K CA -0.131 56.143 56.287 -0.020 0.000 1.115 757 K CB 0.614 33.103 32.500 -0.019 0.000 0.858 757 K HN 0.439 nan 8.250 nan 0.000 0.525 758 E N 1.553 121.741 120.200 -0.020 0.000 2.408 758 E HA 0.065 4.415 4.350 -0.001 0.000 0.259 758 E C -2.499 174.091 176.600 -0.017 0.000 1.110 758 E CA -1.859 54.530 56.400 -0.017 0.000 0.929 758 E CB -0.225 29.463 29.700 -0.019 0.000 0.971 758 E HN -0.132 nan 8.360 nan 0.000 0.438 759 P HA 0.018 nan 4.420 nan 0.000 0.255 759 P C -2.394 174.898 177.300 -0.015 0.000 1.173 759 P CA -0.541 62.551 63.100 -0.013 0.000 0.780 759 P CB -0.262 31.431 31.700 -0.012 0.000 0.758 760 P HA 0.240 nan 4.420 nan 0.000 0.275 760 P C -0.578 176.713 177.300 -0.014 0.000 1.227 760 P CA -0.040 63.050 63.100 -0.016 0.000 0.781 760 P CB 0.854 32.545 31.700 -0.015 0.000 0.906 761 K N 2.523 122.914 120.400 -0.015 0.000 2.613 761 K HA 0.277 4.596 4.320 -0.001 0.000 0.248 761 K C -0.444 176.147 176.600 -0.014 0.000 0.959 761 K CA -0.613 55.665 56.287 -0.014 0.000 0.855 761 K CB 1.018 33.510 32.500 -0.014 0.000 1.143 761 K HN 0.457 nan 8.250 nan 0.000 0.437 762 N N 1.467 120.160 118.700 -0.013 0.000 2.776 762 N HA -0.224 4.516 4.740 -0.001 0.000 0.249 762 N C 0.448 175.950 175.510 -0.014 0.000 1.111 762 N CA 0.298 53.340 53.050 -0.012 0.000 0.711 762 N CB -0.675 37.804 38.487 -0.012 0.000 1.065 762 N HN 1.090 nan 8.380 nan 0.000 0.556 763 G N -0.463 108.329 108.800 -0.014 0.000 2.153 763 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.252 763 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.252 763 G C -0.104 174.785 174.900 -0.018 0.000 0.994 763 G CA 0.540 45.631 45.100 -0.015 0.000 0.698 763 G HN 0.437 nan 8.290 nan 0.000 0.521 764 I N 1.648 122.207 120.570 -0.019 0.000 2.466 764 I HA 0.356 4.526 4.170 -0.001 0.000 0.279 764 I C 0.612 176.714 176.117 -0.025 0.000 1.033 764 I CA -0.819 60.467 61.300 -0.023 0.000 1.123 764 I CB 0.860 38.845 38.000 -0.024 0.000 1.237 764 I HN 0.026 nan 8.210 nan 0.000 0.460 765 S N 4.158 119.842 115.700 -0.027 0.000 2.614 765 S HA 0.579 5.048 4.470 -0.001 0.000 0.265 765 S C 0.336 174.917 174.600 -0.032 0.000 1.303 765 S CA -0.172 58.012 58.200 -0.027 0.000 1.000 765 S CB 0.994 64.178 63.200 -0.027 0.000 0.935 765 S HN 0.615 nan 8.310 nan 0.000 0.551 766 T N 1.980 116.515 114.554 -0.031 0.000 3.170 766 T HA 0.324 4.674 4.350 -0.001 0.000 0.315 766 T C -0.815 173.864 174.700 -0.033 0.000 0.967 766 T CA -0.691 61.387 62.100 -0.036 0.000 1.024 766 T CB 0.956 69.804 68.868 -0.034 0.000 1.018 766 T HN 0.516 nan 8.240 nan 0.000 0.449 767 K N 4.187 124.564 120.400 -0.038 0.000 2.206 767 K HA 0.610 4.929 4.320 -0.001 0.000 0.264 767 K C -0.995 175.585 176.600 -0.034 0.000 0.967 767 K CA -0.834 55.434 56.287 -0.033 0.000 0.844 767 K CB 0.822 33.301 32.500 -0.035 0.000 1.099 767 K HN 0.498 nan 8.250 nan 0.000 0.441 768 L N 6.055 127.264 121.223 -0.023 0.000 2.264 768 L HA 0.391 4.730 4.340 -0.001 0.000 0.287 768 L C -0.184 176.684 176.870 -0.004 0.000 1.039 768 L CA -0.542 54.287 54.840 -0.018 0.000 0.829 768 L CB 1.145 43.196 42.059 -0.014 0.000 1.211 768 L HN 0.614 nan 8.230 nan 0.000 0.427 769 M N 3.057 122.656 119.600 -0.001 0.000 2.318 769 M HA 0.238 4.717 4.480 -0.001 0.000 0.347 769 M C 0.013 176.342 176.300 0.048 0.000 1.175 769 M CA -0.017 55.297 55.300 0.023 0.000 1.075 769 M CB 1.464 34.074 32.600 0.016 0.000 1.614 769 M HN 0.474 nan 8.290 nan 0.000 0.456 770 N N 4.409 123.160 118.700 0.084 0.000 2.817 770 N HA 0.362 5.102 4.740 -0.001 0.000 0.234 770 N C -0.884 174.757 175.510 0.219 0.000 1.066 770 N CA -0.387 52.728 53.050 0.108 0.000 0.926 770 N CB 0.595 39.145 38.487 0.106 0.000 1.176 770 N HN 0.594 nan 8.380 nan 0.000 0.506 771 I N -0.710 119.978 120.570 0.197 0.000 2.764 771 I HA 0.386 4.555 4.170 -0.001 0.000 0.294 771 I C -0.833 175.485 176.117 0.335 0.000 1.045 771 I CA -0.518 60.983 61.300 0.334 0.000 1.340 771 I CB 0.742 38.923 38.000 0.302 0.000 1.436 771 I HN 0.200 nan 8.210 nan 0.000 0.567 772 F N 4.446 124.432 119.950 0.060 0.000 2.307 772 F HA 0.452 4.978 4.527 -0.001 0.000 0.369 772 F C 0.066 175.700 175.800 -0.276 0.000 1.076 772 F CA -0.825 57.129 58.000 -0.076 0.000 1.149 772 F CB 1.082 40.020 39.000 -0.102 0.000 1.410 772 F HN 0.303 nan 8.300 nan 0.000 0.481 773 L N 4.437 125.593 121.223 -0.112 0.000 2.514 773 L HA 0.007 4.347 4.340 -0.001 0.000 0.280 773 L C 0.770 177.396 176.870 -0.406 0.000 1.223 773 L CA -0.073 54.602 54.840 -0.276 0.000 0.864 773 L CB 0.157 42.204 42.059 -0.020 0.000 1.118 773 L HN 0.460 nan 8.230 nan 0.000 0.494 774 K N 1.817 121.825 120.400 -0.654 0.000 2.386 774 K HA 0.092 4.411 4.320 -0.001 0.000 0.249 774 K C 0.505 177.019 176.600 -0.143 0.000 1.055 774 K CA -0.407 55.600 56.287 -0.466 0.000 0.930 774 K CB 0.317 32.448 32.500 -0.616 0.000 1.230 774 K HN 0.431 nan 8.250 nan 0.000 0.507 775 D N 0.037 120.327 120.400 -0.184 0.000 2.333 775 D HA -0.013 4.626 4.640 -0.001 0.000 0.208 775 D C -0.145 176.209 176.300 0.090 0.000 0.984 775 D CA 0.507 54.409 54.000 -0.163 0.000 0.873 775 D CB -0.001 40.499 40.800 -0.501 0.000 0.935 775 D HN 0.192 nan 8.370 nan 0.000 0.521 776 S N 1.023 116.893 115.700 0.283 0.000 2.555 776 S HA 0.055 4.524 4.470 -0.001 0.000 0.293 776 S C 0.797 175.467 174.600 0.116 0.000 1.248 776 S CA -0.064 58.379 58.200 0.404 0.000 1.096 776 S CB 0.163 63.605 63.200 0.403 0.000 0.881 776 S HN 0.145 nan 8.310 nan 0.000 0.498 777 I N 4.267 124.812 120.570 -0.042 0.000 2.260 777 I HA 0.205 4.375 4.170 -0.001 0.000 0.297 777 I C 0.799 176.706 176.117 -0.351 0.000 1.143 777 I CA 0.051 61.191 61.300 -0.266 0.000 1.271 777 I CB -0.256 37.401 38.000 -0.571 0.000 1.461 777 I HN 0.557 nan 8.210 nan 0.000 0.530 778 T N 2.755 117.086 114.554 -0.372 0.000 2.649 778 T HA 0.312 4.661 4.350 -0.001 0.000 0.305 778 T C -0.850 173.565 174.700 -0.474 0.000 1.409 778 T CA -0.329 61.507 62.100 -0.441 0.000 1.021 778 T CB 1.822 70.378 68.868 -0.521 0.000 1.726 778 T HN 0.264 nan 8.240 nan 0.000 0.475 779 T N 2.149 116.440 114.554 -0.438 0.000 2.756 779 T HA 0.523 4.873 4.350 -0.001 0.000 0.290 779 T C -0.918 173.595 174.700 -0.313 0.000 0.985 779 T CA -0.242 61.674 62.100 -0.308 0.000 0.955 779 T CB 0.074 68.829 68.868 -0.189 0.000 0.930 779 T HN 0.409 nan 8.240 nan 0.000 0.451 780 W N 1.790 123.090 121.300 0.000 0.000 2.303 780 W HA 0.453 5.113 4.660 -0.001 0.000 0.334 780 W C 0.828 177.313 176.519 -0.056 0.000 1.197 780 W CA -0.748 56.611 57.345 0.024 0.000 1.262 780 W CB 0.624 30.152 29.460 0.113 0.000 1.153 780 W HN 0.508 nan 8.180 nan 0.000 0.596 781 E N 2.812 123.135 120.200 0.205 0.000 2.186 781 E HA 0.320 4.670 4.350 -0.001 0.000 0.255 781 E C -1.095 175.545 176.600 0.066 0.000 0.881 781 E CA -0.459 55.990 56.400 0.080 0.000 0.752 781 E CB 0.598 30.328 29.700 0.050 0.000 1.176 781 E HN 0.379 nan 8.360 nan 0.000 0.421 782 I N 5.076 125.682 120.570 0.060 0.000 2.325 782 I HA 0.181 4.350 4.170 -0.001 0.000 0.291 782 I C -0.366 175.776 176.117 0.042 0.000 1.019 782 I CA -0.682 60.632 61.300 0.024 0.000 1.302 782 I CB 0.782 38.819 38.000 0.062 0.000 1.401 782 I HN 0.381 nan 8.210 nan 0.000 0.485 783 L N 7.413 128.637 121.223 0.000 0.000 2.313 783 L HA 0.766 5.106 4.340 -0.001 0.000 0.283 783 L C -0.270 176.577 176.870 -0.038 0.000 1.013 783 L CA -0.134 54.706 54.840 0.001 0.000 0.816 783 L CB 1.327 43.393 42.059 0.012 0.000 1.236 783 L HN 0.674 nan 8.230 nan 0.000 0.419 784 A N 4.712 127.511 122.820 -0.035 0.000 2.350 784 A HA 0.854 5.173 4.320 -0.001 0.000 0.324 784 A C -1.426 176.122 177.584 -0.059 0.000 1.118 784 A CA -0.544 51.455 52.037 -0.063 0.000 0.783 784 A CB 1.645 20.609 19.000 -0.060 0.000 1.236 784 A HN 0.512 nan 8.150 nan 0.000 0.457 785 V N 2.362 122.228 119.914 -0.080 0.000 2.524 785 V HA 0.483 4.602 4.120 -0.001 0.000 0.297 785 V C 0.030 176.081 176.094 -0.072 0.000 1.035 785 V CA -0.422 61.838 62.300 -0.067 0.000 0.867 785 V CB 1.782 33.563 31.823 -0.069 0.000 1.004 785 V HN 1.085 nan 8.190 nan 0.000 0.426 786 S N 4.656 120.323 115.700 -0.055 0.000 2.508 786 S HA 0.803 5.273 4.470 -0.001 0.000 0.284 786 S C -0.533 174.041 174.600 -0.044 0.000 1.192 786 S CA -0.661 57.508 58.200 -0.053 0.000 1.070 786 S CB 1.658 64.831 63.200 -0.046 0.000 1.004 786 S HN 0.672 nan 8.310 nan 0.000 0.493 787 M N 3.778 123.351 119.600 -0.045 0.000 2.065 787 M HA 0.433 4.913 4.480 -0.001 0.000 0.308 787 M C -0.426 175.855 176.300 -0.032 0.000 0.939 787 M CA -0.172 55.106 55.300 -0.036 0.000 0.890 787 M CB 0.835 33.412 32.600 -0.039 0.000 1.383 787 M HN 0.763 nan 8.290 nan 0.000 0.381 788 S N 1.213 116.896 115.700 -0.027 0.000 2.541 788 S HA 0.403 4.873 4.470 -0.001 0.000 0.283 788 S C 0.557 175.145 174.600 -0.020 0.000 1.196 788 S CA -0.578 57.608 58.200 -0.024 0.000 1.062 788 S CB 0.715 63.901 63.200 -0.023 0.000 1.009 788 S HN 0.737 nan 8.310 nan 0.000 0.502 789 D N 3.120 123.509 120.400 -0.018 0.000 2.336 789 D HA 0.095 4.734 4.640 -0.001 0.000 0.229 789 D C 0.845 177.137 176.300 -0.014 0.000 1.061 789 D CA 0.538 54.529 54.000 -0.015 0.000 0.875 789 D CB 0.116 40.907 40.800 -0.014 0.000 0.904 789 D HN 0.516 nan 8.370 nan 0.000 0.525 790 K N -0.449 119.942 120.400 -0.015 0.000 2.380 790 K HA 0.172 4.491 4.320 -0.001 0.000 0.200 790 K C 1.100 177.692 176.600 -0.013 0.000 1.201 790 K CA -0.043 56.236 56.287 -0.013 0.000 0.916 790 K CB 0.703 33.194 32.500 -0.014 0.000 1.187 790 K HN -0.145 nan 8.250 nan 0.000 0.498 791 K N 1.068 121.459 120.400 -0.015 0.000 2.399 791 K HA 0.216 4.536 4.320 -0.001 0.000 0.204 791 K C 0.589 177.180 176.600 -0.015 0.000 1.023 791 K CA 0.371 56.649 56.287 -0.015 0.000 1.127 791 K CB 0.940 33.430 32.500 -0.016 0.000 0.856 791 K HN 0.360 nan 8.250 nan 0.000 0.514 792 G N 2.218 111.009 108.800 -0.015 0.000 2.601 792 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.261 792 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.261 792 G C -0.032 174.857 174.900 -0.018 0.000 1.289 792 G CA -0.140 44.952 45.100 -0.015 0.000 0.920 792 G HN 0.322 nan 8.290 nan 0.000 0.571 793 I N -0.492 120.069 120.570 -0.016 0.000 2.662 793 I HA 0.535 4.705 4.170 -0.001 0.000 0.291 793 I C 0.319 176.425 176.117 -0.018 0.000 1.046 793 I CA -0.144 61.144 61.300 -0.019 0.000 1.361 793 I CB 0.940 38.930 38.000 -0.016 0.000 1.429 793 I HN 0.956 nan 8.210 nan 0.000 0.558 794 C N 6.944 126.231 119.300 -0.022 0.000 2.832 794 C HA 0.429 4.889 4.460 -0.001 0.000 0.383 794 C C -0.947 174.030 174.990 -0.022 0.000 1.046 794 C CA -0.517 58.489 59.018 -0.020 0.000 1.242 794 C CB 0.445 28.172 27.740 -0.021 0.000 1.693 794 C HN 0.526 nan 8.230 nan 0.000 0.497 795 V N 6.478 126.383 119.914 -0.015 0.000 2.348 795 V HA 0.595 4.715 4.120 -0.001 0.000 0.270 795 V C 1.099 177.187 176.094 -0.010 0.000 1.037 795 V CA 0.262 62.554 62.300 -0.014 0.000 0.872 795 V CB 0.919 32.738 31.823 -0.006 0.000 1.002 795 V HN 1.124 nan 8.190 nan 0.000 0.464 796 A N 4.288 127.100 122.820 -0.014 0.000 2.366 796 A HA 0.370 4.689 4.320 -0.001 0.000 0.249 796 A C 0.086 177.675 177.584 0.009 0.000 1.084 796 A CA -0.495 51.537 52.037 -0.008 0.000 0.794 796 A CB 0.110 19.098 19.000 -0.019 0.000 1.034 796 A HN 0.777 nan 8.150 nan 0.000 0.491 797 D N 1.740 122.151 120.400 0.019 0.000 2.390 797 D HA 0.376 5.016 4.640 -0.001 0.000 0.249 797 D C -2.189 174.151 176.300 0.068 0.000 1.144 797 D CA -0.592 53.431 54.000 0.038 0.000 0.880 797 D CB 0.097 40.921 40.800 0.040 0.000 1.182 797 D HN 0.204 nan 8.370 nan 0.000 0.451 798 P HA -0.000 nan 4.420 nan 0.000 0.262 798 P C -0.652 176.737 177.300 0.148 0.000 1.182 798 P CA -0.005 63.146 63.100 0.085 0.000 0.761 798 P CB 0.135 31.864 31.700 0.049 0.000 0.795 799 F N 3.191 123.142 119.950 0.001 0.000 2.402 799 F HA 0.298 4.824 4.527 -0.001 0.000 0.355 799 F C 0.150 175.968 175.800 0.030 0.000 1.123 799 F CA -0.811 57.195 58.000 0.009 0.000 1.021 799 F CB 1.083 40.082 39.000 -0.001 0.000 1.160 799 F HN 0.249 nan 8.300 nan 0.000 0.451 800 E N 4.746 124.605 120.200 -0.569 0.000 2.216 800 E HA 0.500 4.849 4.350 -0.001 0.000 0.279 800 E C -1.216 174.991 176.600 -0.655 0.000 0.997 800 E CA -0.865 55.272 56.400 -0.438 0.000 0.817 800 E CB 2.324 31.885 29.700 -0.231 0.000 1.096 800 E HN 0.379 nan 8.360 nan 0.000 0.393 801 V N 3.132 122.872 119.914 -0.290 0.000 2.407 801 V HA 0.177 4.297 4.120 -0.001 0.000 0.291 801 V C -0.223 175.872 176.094 0.002 0.000 1.018 801 V CA -0.736 61.482 62.300 -0.137 0.000 0.842 801 V CB 1.784 33.649 31.823 0.070 0.000 0.996 801 V HN 0.689 nan 8.190 nan 0.000 0.426 802 T N 4.875 119.399 114.554 -0.049 0.000 2.729 802 T HA 0.417 4.766 4.350 -0.001 0.000 0.296 802 T C -0.081 174.609 174.700 -0.016 0.000 0.928 802 T CA -0.159 61.904 62.100 -0.061 0.000 1.045 802 T CB 1.036 69.851 68.868 -0.089 0.000 0.902 802 T HN 0.351 nan 8.240 nan 0.000 0.500 803 V N 5.895 125.793 119.914 -0.027 0.000 2.313 803 V HA 0.504 4.623 4.120 -0.001 0.000 0.278 803 V C -0.071 175.954 176.094 -0.115 0.000 1.017 803 V CA -0.590 61.709 62.300 -0.001 0.000 0.823 803 V CB 0.979 32.882 31.823 0.134 0.000 1.010 803 V HN 0.846 nan 8.190 nan 0.000 0.443 804 M N 3.619 123.152 119.600 -0.112 0.000 2.691 804 M HA 0.629 5.109 4.480 -0.001 0.000 0.293 804 M C -1.415 174.833 176.300 -0.087 0.000 1.259 804 M CA -0.591 54.601 55.300 -0.181 0.000 0.827 804 M CB 2.972 35.470 32.600 -0.171 0.000 1.753 804 M HN 0.671 nan 8.290 nan 0.000 0.465 805 Q N 0.468 120.245 119.800 -0.038 0.000 2.345 805 Q HA 0.229 4.568 4.340 -0.001 0.000 0.275 805 Q C -0.735 175.473 176.000 0.346 0.000 1.063 805 Q CA -0.638 55.249 55.803 0.141 0.000 0.819 805 Q CB 2.009 30.835 28.738 0.147 0.000 1.356 805 Q HN 0.755 nan 8.270 nan 0.000 0.418 806 D N 1.390 121.962 120.400 0.287 0.000 2.190 806 D HA -0.077 4.563 4.640 -0.001 0.000 0.200 806 D C -0.218 176.358 176.300 0.460 0.000 0.992 806 D CA 1.533 55.729 54.000 0.326 0.000 0.854 806 D CB 0.103 41.027 40.800 0.206 0.000 0.936 806 D HN 0.306 nan 8.370 nan 0.000 0.462 807 F N 0.001 120.128 119.950 0.295 0.000 2.596 807 F HA 0.454 4.980 4.527 -0.001 0.000 0.311 807 F C -1.567 174.439 175.800 0.344 0.000 1.116 807 F CA -1.179 56.946 58.000 0.209 0.000 0.957 807 F CB 1.021 40.079 39.000 0.098 0.000 1.250 807 F HN -0.149 nan 8.300 nan 0.000 0.444 808 F N 3.954 123.460 119.950 -0.739 0.000 2.877 808 F HA 0.757 5.284 4.527 -0.001 0.000 0.319 808 F C -2.201 173.327 175.800 -0.452 0.000 1.174 808 F CA -1.595 56.088 58.000 -0.529 0.000 0.903 808 F CB 1.085 40.008 39.000 -0.128 0.000 1.357 808 F HN 0.306 nan 8.300 nan 0.000 0.472 809 I N 1.125 121.727 120.570 0.054 0.000 2.509 809 I HA 0.318 4.487 4.170 -0.001 0.000 0.293 809 I C -1.374 174.895 176.117 0.253 0.000 1.020 809 I CA -0.506 60.825 61.300 0.051 0.000 1.088 809 I CB 1.881 39.890 38.000 0.015 0.000 1.267 809 I HN 0.589 nan 8.210 nan 0.000 0.430 810 D N 6.383 126.928 120.400 0.242 0.000 2.514 810 D HA 0.198 4.838 4.640 -0.001 0.000 0.267 810 D C -0.750 175.602 176.300 0.087 0.000 1.165 810 D CA -0.574 53.564 54.000 0.229 0.000 0.958 810 D CB 0.529 41.596 40.800 0.446 0.000 0.992 810 D HN 0.193 nan 8.370 nan 0.000 0.506 811 L N 3.294 124.526 121.223 0.014 0.000 2.530 811 L HA 0.213 4.553 4.340 -0.001 0.000 0.273 811 L C -0.043 176.800 176.870 -0.045 0.000 1.141 811 L CA 0.480 55.310 54.840 -0.017 0.000 0.905 811 L CB -0.042 41.990 42.059 -0.044 0.000 1.202 811 L HN 0.160 nan 8.230 nan 0.000 0.473 812 R N 5.822 126.315 120.500 -0.012 0.000 2.246 812 R HA 0.496 4.835 4.340 -0.001 0.000 0.332 812 R C -1.244 175.047 176.300 -0.015 0.000 0.974 812 R CA -0.953 55.138 56.100 -0.015 0.000 0.837 812 R CB 0.964 31.270 30.300 0.010 0.000 1.145 812 R HN 0.389 nan 8.270 nan 0.000 0.467 813 L N 4.199 125.407 121.223 -0.025 0.000 2.334 813 L HA 0.489 4.829 4.340 -0.001 0.000 0.276 813 L C -1.891 174.984 176.870 0.009 0.000 1.014 813 L CA -2.131 52.700 54.840 -0.016 0.000 0.815 813 L CB 0.942 42.981 42.059 -0.033 0.000 1.268 813 L HN 0.403 nan 8.230 nan 0.000 0.428 814 P HA 0.021 nan 4.420 nan 0.000 0.270 814 P C 0.324 177.671 177.300 0.079 0.000 1.223 814 P CA -0.176 62.956 63.100 0.053 0.000 0.785 814 P CB 0.379 32.108 31.700 0.048 0.000 0.923 815 Y N 1.241 121.543 120.300 0.004 0.000 2.128 815 Y HA -0.159 4.390 4.550 -0.001 0.000 0.284 815 Y C 0.647 176.559 175.900 0.020 0.000 1.154 815 Y CA 1.959 60.066 58.100 0.011 0.000 1.149 815 Y CB 0.014 38.480 38.460 0.009 0.000 0.976 815 Y HN 0.397 nan 8.280 nan 0.000 0.505 816 S N 0.007 115.714 115.700 0.012 0.000 2.536 816 S HA 0.622 5.092 4.470 -0.001 0.000 0.271 816 S C -1.185 173.430 174.600 0.025 0.000 1.134 816 S CA -0.378 57.779 58.200 -0.071 0.000 0.897 816 S CB 1.669 64.852 63.200 -0.027 0.000 1.094 816 S HN 0.613 nan 8.310 nan 0.000 0.473 817 V N -0.029 119.893 119.914 0.012 0.000 2.540 817 V HA 0.798 4.917 4.120 -0.001 0.000 0.302 817 V C -0.158 175.954 176.094 0.030 0.000 1.035 817 V CA -0.958 61.367 62.300 0.043 0.000 0.873 817 V CB 1.157 33.025 31.823 0.074 0.000 0.992 817 V HN 0.812 nan 8.190 nan 0.000 0.428 818 V N 4.254 124.189 119.914 0.034 0.000 2.637 818 V HA 0.265 4.384 4.120 -0.001 0.000 0.296 818 V C 0.975 177.077 176.094 0.014 0.000 1.046 818 V CA -0.165 62.146 62.300 0.019 0.000 1.066 818 V CB 0.742 32.581 31.823 0.026 0.000 0.968 818 V HN 1.077 nan 8.190 nan 0.000 0.483 819 R N 4.168 124.663 120.500 -0.009 0.000 2.623 819 R HA 0.060 4.400 4.340 -0.001 0.000 0.271 819 R C 1.013 177.309 176.300 -0.007 0.000 1.043 819 R CA 1.144 57.232 56.100 -0.020 0.000 1.083 819 R CB -0.308 29.968 30.300 -0.040 0.000 0.974 819 R HN 0.943 nan 8.270 nan 0.000 0.436 820 N N 0.321 119.017 118.700 -0.007 0.000 2.951 820 N HA -0.230 4.510 4.740 -0.001 0.000 0.213 820 N C -1.061 174.452 175.510 0.004 0.000 0.877 820 N CA 1.365 54.412 53.050 -0.004 0.000 1.042 820 N CB -0.585 37.899 38.487 -0.006 0.000 1.005 820 N HN 0.687 nan 8.380 nan 0.000 0.604 821 E N 1.851 122.063 120.200 0.021 0.000 2.290 821 E HA 0.075 4.425 4.350 -0.001 0.000 0.277 821 E C -0.011 176.614 176.600 0.042 0.000 1.035 821 E CA -0.018 56.405 56.400 0.037 0.000 0.873 821 E CB 0.932 30.664 29.700 0.053 0.000 1.029 821 E HN 0.159 nan 8.360 nan 0.000 0.419 822 Q N 3.387 123.197 119.800 0.017 0.000 2.295 822 Q HA 0.252 4.592 4.340 -0.001 0.000 0.259 822 Q C -0.754 175.305 176.000 0.098 0.000 0.976 822 Q CA -0.476 55.302 55.803 -0.043 0.000 0.923 822 Q CB 0.654 29.233 28.738 -0.264 0.000 1.185 822 Q HN 0.400 nan 8.270 nan 0.000 0.410 823 V N 0.622 120.608 119.914 0.120 0.000 3.102 823 V HA 0.609 4.728 4.120 -0.001 0.000 0.312 823 V C -0.952 175.262 176.094 0.201 0.000 1.135 823 V CA -1.106 61.329 62.300 0.225 0.000 1.022 823 V CB 1.891 33.797 31.823 0.138 0.000 1.056 823 V HN 0.869 nan 8.190 nan 0.000 0.436 824 E N 2.147 122.482 120.200 0.224 0.000 2.151 824 E HA 0.611 4.961 4.350 -0.001 0.000 0.275 824 E C -0.904 175.755 176.600 0.098 0.000 0.936 824 E CA -0.852 55.651 56.400 0.172 0.000 0.777 824 E CB 1.703 31.520 29.700 0.194 0.000 1.108 824 E HN 0.860 nan 8.360 nan 0.000 0.401 825 I N 1.313 121.937 120.570 0.091 0.000 2.460 825 I HA 0.582 4.752 4.170 -0.001 0.000 0.298 825 I C -0.310 175.866 176.117 0.097 0.000 0.989 825 I CA -1.133 60.207 61.300 0.067 0.000 1.173 825 I CB 1.464 39.477 38.000 0.023 0.000 1.338 825 I HN 0.226 nan 8.210 nan 0.000 0.456 826 R N 4.299 124.837 120.500 0.064 0.000 2.457 826 R HA 0.721 5.060 4.340 -0.001 0.000 0.284 826 R C -0.644 175.706 176.300 0.083 0.000 1.024 826 R CA -0.799 55.338 56.100 0.061 0.000 1.025 826 R CB 1.654 31.970 30.300 0.026 0.000 1.063 826 R HN 0.896 nan 8.270 nan 0.000 0.493 827 A N 2.661 125.538 122.820 0.095 0.000 2.815 827 A HA 0.342 4.661 4.320 -0.001 0.000 0.318 827 A C -0.645 176.950 177.584 0.018 0.000 1.186 827 A CA -0.660 51.438 52.037 0.100 0.000 0.754 827 A CB 0.671 19.815 19.000 0.240 0.000 1.151 827 A HN 0.347 nan 8.150 nan 0.000 0.452 828 V N 2.774 122.664 119.914 -0.039 0.000 2.455 828 V HA 0.221 4.340 4.120 -0.001 0.000 0.273 828 V C -0.277 175.645 176.094 -0.287 0.000 1.045 828 V CA -0.080 62.093 62.300 -0.212 0.000 0.976 828 V CB 0.770 32.407 31.823 -0.311 0.000 0.993 828 V HN 0.632 nan 8.190 nan 0.000 0.475 829 L N 6.712 127.737 121.223 -0.330 0.000 2.262 829 L HA 0.458 4.798 4.340 -0.001 0.000 0.288 829 L C -0.397 176.209 176.870 -0.441 0.000 1.035 829 L CA -0.061 54.602 54.840 -0.296 0.000 0.820 829 L CB 0.482 42.509 42.059 -0.052 0.000 1.204 829 L HN 0.469 nan 8.230 nan 0.000 0.424 830 Y N 2.135 122.113 120.300 -0.538 0.000 2.310 830 Y HA 0.421 4.971 4.550 -0.001 0.000 0.326 830 Y C 0.693 176.361 175.900 -0.388 0.000 1.151 830 Y CA -0.251 57.499 58.100 -0.583 0.000 1.195 830 Y CB 1.101 39.061 38.460 -0.832 0.000 1.210 830 Y HN 0.526 nan 8.280 nan 0.000 0.483 831 N N 2.242 120.809 118.700 -0.221 0.000 2.576 831 N HA 0.186 4.925 4.740 -0.001 0.000 0.269 831 N C -1.601 173.800 175.510 -0.181 0.000 1.058 831 N CA -0.652 52.375 53.050 -0.038 0.000 0.860 831 N CB 0.200 38.702 38.487 0.025 0.000 1.249 831 N HN 0.539 nan 8.380 nan 0.000 0.525 832 Y N 1.453 121.842 120.300 0.147 0.000 2.708 832 Y HA 0.377 4.927 4.550 -0.001 0.000 0.287 832 Y C 0.781 176.744 175.900 0.105 0.000 1.145 832 Y CA -0.647 57.530 58.100 0.128 0.000 1.249 832 Y CB 0.301 38.848 38.460 0.146 0.000 1.152 832 Y HN 0.178 nan 8.280 nan 0.000 0.532 833 R N 1.307 121.913 120.500 0.177 0.000 2.594 833 R HA 0.030 4.370 4.340 -0.001 0.000 0.272 833 R C 0.972 177.338 176.300 0.111 0.000 1.074 833 R CA 0.058 56.234 56.100 0.128 0.000 1.105 833 R CB 0.994 31.347 30.300 0.087 0.000 1.008 833 R HN 0.487 nan 8.270 nan 0.000 0.472 834 Q N 2.097 121.956 119.800 0.099 0.000 1.927 834 Q HA -0.218 4.122 4.340 -0.001 0.000 0.210 834 Q C 0.425 176.466 176.000 0.068 0.000 1.001 834 Q CA 2.013 57.866 55.803 0.083 0.000 0.862 834 Q CB -0.251 28.530 28.738 0.072 0.000 0.934 834 Q HN 0.671 nan 8.270 nan 0.000 0.420 835 N N -0.903 117.833 118.700 0.061 0.000 2.672 835 N HA 0.223 4.962 4.740 -0.001 0.000 0.295 835 N C -1.446 174.093 175.510 0.048 0.000 1.924 835 N CA -0.417 52.661 53.050 0.047 0.000 0.851 835 N CB 0.855 39.363 38.487 0.036 0.000 1.281 835 N HN 0.207 nan 8.380 nan 0.000 0.494 836 Q N 1.075 120.912 119.800 0.060 0.000 2.533 836 Q HA 0.171 4.511 4.340 -0.001 0.000 0.251 836 Q C -1.146 174.890 176.000 0.059 0.000 0.966 836 Q CA -0.442 55.406 55.803 0.074 0.000 0.714 836 Q CB 0.901 29.728 28.738 0.148 0.000 1.284 836 Q HN 0.447 nan 8.270 nan 0.000 0.478 837 E N 3.811 124.028 120.200 0.028 0.000 2.376 837 E HA 0.173 4.522 4.350 -0.001 0.000 0.266 837 E C -0.818 175.794 176.600 0.020 0.000 1.009 837 E CA -0.172 56.235 56.400 0.012 0.000 0.902 837 E CB 0.808 30.503 29.700 -0.008 0.000 0.972 837 E HN 0.502 nan 8.360 nan 0.000 0.439 838 L N 3.036 124.264 121.223 0.008 0.000 2.289 838 L HA 0.267 4.607 4.340 -0.001 0.000 0.285 838 L C 0.155 177.025 176.870 -0.001 0.000 1.049 838 L CA -1.113 53.726 54.840 -0.002 0.000 0.804 838 L CB 1.093 43.092 42.059 -0.100 0.000 1.195 838 L HN 0.572 nan 8.230 nan 0.000 0.428 839 K N 3.395 123.818 120.400 0.038 0.000 2.262 839 K HA 0.336 4.656 4.320 -0.001 0.000 0.288 839 K C -1.002 175.680 176.600 0.136 0.000 1.090 839 K CA -0.219 56.102 56.287 0.055 0.000 0.918 839 K CB 0.295 32.823 32.500 0.046 0.000 1.139 839 K HN 0.334 nan 8.250 nan 0.000 0.462 840 V N 4.736 124.705 119.914 0.091 0.000 2.612 840 V HA 0.470 4.590 4.120 -0.001 0.000 0.301 840 V C -0.015 176.198 176.094 0.199 0.000 1.046 840 V CA -0.885 61.485 62.300 0.116 0.000 0.946 840 V CB 1.476 33.360 31.823 0.101 0.000 1.003 840 V HN 0.732 nan 8.190 nan 0.000 0.459 841 R N 3.046 123.673 120.500 0.211 0.000 2.358 841 R HA 0.663 5.003 4.340 -0.001 0.000 0.309 841 R C -1.669 174.719 176.300 0.145 0.000 1.026 841 R CA -0.293 55.930 56.100 0.206 0.000 0.909 841 R CB 1.652 32.084 30.300 0.219 0.000 1.153 841 R HN 0.589 nan 8.270 nan 0.000 0.515 842 V N 3.612 123.611 119.914 0.141 0.000 2.472 842 V HA 0.465 4.584 4.120 -0.001 0.000 0.290 842 V C -0.848 175.334 176.094 0.147 0.000 1.037 842 V CA -0.319 62.074 62.300 0.156 0.000 0.908 842 V CB 1.675 33.612 31.823 0.190 0.000 0.985 842 V HN 0.929 nan 8.190 nan 0.000 0.454 843 E N 4.781 125.053 120.200 0.121 0.000 2.293 843 E HA 0.445 4.795 4.350 -0.001 0.000 0.270 843 E C -1.976 174.635 176.600 0.019 0.000 0.879 843 E CA -0.982 55.474 56.400 0.094 0.000 0.756 843 E CB 2.090 31.834 29.700 0.074 0.000 1.208 843 E HN 0.662 nan 8.360 nan 0.000 0.428 844 L N 5.515 126.736 121.223 -0.004 0.000 2.264 844 L HA 0.334 4.673 4.340 -0.001 0.000 0.287 844 L C -1.348 175.509 176.870 -0.022 0.000 1.039 844 L CA -0.477 54.262 54.840 -0.168 0.000 0.829 844 L CB 0.497 42.308 42.059 -0.413 0.000 1.211 844 L HN 0.567 nan 8.230 nan 0.000 0.427 845 L N 4.488 125.699 121.223 -0.020 0.000 2.506 845 L HA 0.095 4.435 4.340 -0.001 0.000 0.281 845 L C 0.347 177.258 176.870 0.069 0.000 1.228 845 L CA 0.530 55.397 54.840 0.044 0.000 0.850 845 L CB -0.147 41.933 42.059 0.035 0.000 1.110 845 L HN 0.666 nan 8.230 nan 0.000 0.496 846 H N 3.089 122.183 119.070 0.039 0.000 2.629 846 H HA 0.386 4.942 4.556 -0.001 0.000 0.357 846 H C -0.409 174.965 175.328 0.077 0.000 1.121 846 H CA -0.005 56.077 56.048 0.056 0.000 1.406 846 H CB 0.587 30.386 29.762 0.062 0.000 1.456 846 H HN 0.573 nan 8.280 nan 0.000 0.579 847 N N 4.728 122.989 118.700 -0.733 0.000 2.542 847 N HA 0.140 4.880 4.740 -0.001 0.000 0.288 847 N C -2.337 172.888 175.510 -0.475 0.000 1.115 847 N CA -1.941 50.852 53.050 -0.428 0.000 0.924 847 N CB 1.940 40.434 38.487 0.012 0.000 1.526 847 N HN 0.412 nan 8.380 nan 0.000 0.515 848 P HA -0.120 nan 4.420 nan 0.000 0.220 848 P C 0.805 178.059 177.300 -0.077 0.000 1.144 848 P CA 0.901 63.956 63.100 -0.075 0.000 0.800 848 P CB 0.323 32.050 31.700 0.045 0.000 0.772 849 A N -1.700 121.029 122.820 -0.153 0.000 2.067 849 A HA 0.073 4.392 4.320 -0.001 0.000 0.217 849 A C 0.897 178.154 177.584 -0.546 0.000 1.156 849 A CA 0.680 52.511 52.037 -0.343 0.000 0.683 849 A CB -0.671 18.054 19.000 -0.458 0.000 0.808 849 A HN 0.120 nan 8.150 nan 0.000 0.455 850 F N -2.884 117.015 119.950 -0.085 0.000 2.575 850 F HA 0.520 5.046 4.527 -0.001 0.000 0.330 850 F C 0.074 175.839 175.800 -0.059 0.000 1.056 850 F CA -1.039 56.919 58.000 -0.070 0.000 0.964 850 F CB 1.590 40.541 39.000 -0.080 0.000 1.258 850 F HN -0.122 nan 8.300 nan 0.000 0.484 851 c N 2.899 121.598 118.600 0.164 0.000 2.362 851 c HA 0.754 5.324 4.570 -0.001 0.000 0.309 851 c C -0.254 173.861 174.090 0.042 0.000 1.110 851 c CA -0.289 56.087 56.329 0.078 0.000 1.485 851 c CB -1.562 40.963 42.510 0.025 0.000 1.949 851 c HN 0.831 nan 8.230 nan 0.000 0.419 852 S N 4.616 120.341 115.700 0.041 0.000 2.841 852 S HA 0.568 5.038 4.470 -0.001 0.000 0.318 852 S C 0.723 175.298 174.600 -0.041 0.000 1.127 852 S CA -0.807 57.374 58.200 -0.032 0.000 0.883 852 S CB 0.756 63.923 63.200 -0.055 0.000 1.271 852 S HN 0.574 nan 8.310 nan 0.000 0.567 853 L N 0.472 121.605 121.223 -0.150 0.000 2.362 853 L HA 0.162 4.502 4.340 -0.001 0.000 0.219 853 L C 1.360 178.252 176.870 0.036 0.000 1.134 853 L CA 0.859 55.641 54.840 -0.097 0.000 0.807 853 L CB -0.770 41.162 42.059 -0.212 0.000 0.927 853 L HN 0.776 nan 8.230 nan 0.000 0.447 854 A N 0.467 123.332 122.820 0.074 0.000 2.302 854 A HA 0.467 4.786 4.320 -0.001 0.000 0.295 854 A C 0.488 178.194 177.584 0.203 0.000 1.235 854 A CA -0.220 51.918 52.037 0.170 0.000 0.876 854 A CB 0.012 19.133 19.000 0.202 0.000 1.133 854 A HN 0.298 nan 8.150 nan 0.000 0.533 855 T N -1.278 113.307 114.554 0.052 0.000 2.804 855 T HA 0.498 4.847 4.350 -0.001 0.000 0.272 855 T C 1.427 175.818 174.700 -0.515 0.000 0.986 855 T CA 0.295 62.266 62.100 -0.216 0.000 0.999 855 T CB 0.471 69.267 68.868 -0.120 0.000 1.307 855 T HN 0.867 nan 8.240 nan 0.000 0.586 856 T N -1.412 112.730 114.554 -0.687 0.000 2.833 856 T HA 0.018 4.368 4.350 -0.001 0.000 0.269 856 T C 1.310 175.925 174.700 -0.142 0.000 1.054 856 T CA 0.821 62.675 62.100 -0.411 0.000 1.135 856 T CB -0.394 68.333 68.868 -0.233 0.000 0.869 856 T HN 0.664 nan 8.240 nan 0.000 0.466 857 K N -0.202 120.139 120.400 -0.099 0.000 2.402 857 K HA 0.301 4.620 4.320 -0.001 0.000 0.204 857 K C 0.626 177.223 176.600 -0.005 0.000 1.056 857 K CA -0.324 55.946 56.287 -0.028 0.000 1.069 857 K CB 0.913 33.408 32.500 -0.008 0.000 0.888 857 K HN 0.195 nan 8.250 nan 0.000 0.546 858 R N 1.508 122.002 120.500 -0.010 0.000 2.534 858 R HA 0.309 4.649 4.340 -0.001 0.000 0.301 858 R C -1.098 175.241 176.300 0.064 0.000 0.961 858 R CA -0.562 55.557 56.100 0.032 0.000 0.871 858 R CB 1.159 31.482 30.300 0.039 0.000 1.170 858 R HN -0.052 nan 8.270 nan 0.000 0.446 859 R N 2.614 123.164 120.500 0.083 0.000 2.294 859 R HA 0.151 4.490 4.340 -0.001 0.000 0.319 859 R C -0.375 176.020 176.300 0.158 0.000 0.984 859 R CA -0.605 55.562 56.100 0.112 0.000 0.861 859 R CB 1.215 31.565 30.300 0.083 0.000 1.104 859 R HN 0.521 nan 8.270 nan 0.000 0.451 860 H N 5.087 124.216 119.070 0.098 0.000 2.821 860 H HA 0.077 4.632 4.556 -0.001 0.000 0.262 860 H C -0.961 174.464 175.328 0.161 0.000 1.402 860 H CA -0.291 55.834 56.048 0.129 0.000 1.293 860 H CB 0.559 30.412 29.762 0.152 0.000 1.533 860 H HN 0.609 nan 8.280 nan 0.000 0.528 861 Q N 3.701 123.436 119.800 -0.108 0.000 2.337 861 Q HA 0.379 4.719 4.340 -0.001 0.000 0.270 861 Q C -1.191 174.761 176.000 -0.079 0.000 1.043 861 Q CA -1.200 54.570 55.803 -0.055 0.000 0.794 861 Q CB 2.421 31.183 28.738 0.040 0.000 1.281 861 Q HN 0.410 nan 8.270 nan 0.000 0.446 862 Q N 0.701 120.464 119.800 -0.061 0.000 2.194 862 Q HA 0.569 4.909 4.340 -0.001 0.000 0.245 862 Q C -0.738 175.286 176.000 0.041 0.000 0.993 862 Q CA -0.422 55.359 55.803 -0.036 0.000 0.930 862 Q CB 1.962 30.634 28.738 -0.110 0.000 1.238 862 Q HN 0.707 nan 8.270 nan 0.000 0.486 863 T N 0.605 115.178 114.554 0.032 0.000 3.305 863 T HA 0.420 4.769 4.350 -0.001 0.000 0.348 863 T C -0.577 174.096 174.700 -0.045 0.000 1.394 863 T CA -0.514 61.625 62.100 0.066 0.000 1.549 863 T CB -0.164 68.789 68.868 0.142 0.000 0.962 863 T HN 0.450 nan 8.240 nan 0.000 0.609 864 V N -0.047 119.832 119.914 -0.059 0.000 3.234 864 V HA 0.886 5.005 4.120 -0.001 0.000 0.317 864 V C -0.002 176.067 176.094 -0.041 0.000 1.081 864 V CA -0.599 61.641 62.300 -0.100 0.000 1.037 864 V CB 1.581 33.345 31.823 -0.099 0.000 1.148 864 V HN 0.477 nan 8.190 nan 0.000 0.453 865 T N 2.218 116.742 114.554 -0.051 0.000 2.861 865 T HA 0.706 5.055 4.350 -0.001 0.000 0.287 865 T C -0.512 174.165 174.700 -0.038 0.000 1.003 865 T CA -0.147 61.934 62.100 -0.031 0.000 0.977 865 T CB 1.193 70.043 68.868 -0.030 0.000 0.996 865 T HN 0.642 nan 8.240 nan 0.000 0.448 866 I N 4.175 124.730 120.570 -0.025 0.000 2.389 866 I HA 0.356 4.526 4.170 -0.001 0.000 0.288 866 I C -2.440 173.657 176.117 -0.033 0.000 0.999 866 I CA -2.744 58.536 61.300 -0.034 0.000 1.129 866 I CB 2.036 40.026 38.000 -0.016 0.000 1.288 866 I HN 0.296 nan 8.210 nan 0.000 0.444 867 P HA 0.136 nan 4.420 nan 0.000 0.269 867 P C -2.515 174.768 177.300 -0.029 0.000 1.215 867 P CA -1.046 62.031 63.100 -0.038 0.000 0.780 867 P CB -0.206 31.463 31.700 -0.053 0.000 0.898 868 P HA 0.040 nan 4.420 nan 0.000 0.268 868 P C -0.407 176.894 177.300 0.002 0.000 1.205 868 P CA 0.227 63.331 63.100 0.007 0.000 0.771 868 P CB 0.079 31.793 31.700 0.024 0.000 0.858 869 K N -0.495 119.904 120.400 -0.001 0.000 3.096 869 K HA -0.116 4.204 4.320 -0.001 0.000 0.266 869 K C 0.030 176.602 176.600 -0.047 0.000 1.043 869 K CA 0.788 57.079 56.287 0.008 0.000 0.758 869 K CB -2.105 30.449 32.500 0.089 0.000 1.260 869 K HN 0.761 nan 8.250 nan 0.000 0.481 870 S N -2.017 113.596 115.700 -0.146 0.000 2.752 870 S HA 0.741 5.211 4.470 -0.001 0.000 0.284 870 S C -0.486 173.996 174.600 -0.198 0.000 1.189 870 S CA -0.325 57.817 58.200 -0.098 0.000 0.835 870 S CB 2.258 65.458 63.200 0.000 0.000 1.192 870 S HN 0.366 nan 8.310 nan 0.000 0.506 871 S N -0.070 115.535 115.700 -0.157 0.000 2.709 871 S HA 0.897 5.367 4.470 -0.001 0.000 0.302 871 S C -1.395 173.067 174.600 -0.229 0.000 1.127 871 S CA -0.791 57.214 58.200 -0.325 0.000 0.905 871 S CB 1.366 64.222 63.200 -0.574 0.000 1.151 871 S HN 1.572 nan 8.310 nan 0.000 0.510 872 L N 1.088 122.138 121.223 -0.289 0.000 2.562 872 L HA 0.636 4.975 4.340 -0.001 0.000 0.266 872 L C -0.481 176.279 176.870 -0.183 0.000 0.949 872 L CA -0.101 54.633 54.840 -0.177 0.000 0.879 872 L CB 1.846 43.834 42.059 -0.118 0.000 1.278 872 L HN 0.925 nan 8.230 nan 0.000 0.404 873 S N 3.441 119.058 115.700 -0.138 0.000 2.565 873 S HA 0.789 5.258 4.470 -0.001 0.000 0.274 873 S C -0.756 173.790 174.600 -0.091 0.000 1.309 873 S CA -0.342 57.792 58.200 -0.109 0.000 1.043 873 S CB 0.762 63.916 63.200 -0.078 0.000 0.939 873 S HN 0.512 nan 8.310 nan 0.000 0.504 874 V N 7.494 127.362 119.914 -0.076 0.000 2.380 874 V HA 0.392 4.512 4.120 -0.001 0.000 0.286 874 V C -2.382 173.590 176.094 -0.203 0.000 1.015 874 V CA -1.795 60.422 62.300 -0.138 0.000 0.834 874 V CB 1.376 33.145 31.823 -0.090 0.000 1.009 874 V HN 0.741 nan 8.190 nan 0.000 0.428 875 P HA 0.326 nan 4.420 nan 0.000 0.272 875 P C -1.373 175.691 177.300 -0.394 0.000 1.223 875 P CA -0.019 62.972 63.100 -0.182 0.000 0.784 875 P CB 0.301 31.937 31.700 -0.106 0.000 0.923 876 Y N -0.300 120.026 120.300 0.044 0.000 2.298 876 Y HA 0.237 4.787 4.550 -0.001 0.000 0.322 876 Y C -0.341 175.551 175.900 -0.015 0.000 1.138 876 Y CA -1.001 57.113 58.100 0.024 0.000 1.127 876 Y CB 1.228 39.694 38.460 0.011 0.000 1.178 876 Y HN 0.103 nan 8.280 nan 0.000 0.428 877 V N 4.107 124.079 119.914 0.096 0.000 2.461 877 V HA 0.761 4.881 4.120 -0.001 0.000 0.275 877 V C 0.009 176.087 176.094 -0.027 0.000 1.047 877 V CA -0.418 61.890 62.300 0.012 0.000 0.955 877 V CB 0.433 32.208 31.823 -0.082 0.000 0.988 877 V HN 0.633 nan 8.190 nan 0.000 0.471 878 I N 2.299 122.857 120.570 -0.021 0.000 2.969 878 I HA 0.900 5.069 4.170 -0.001 0.000 0.307 878 I C -1.123 175.027 176.117 0.055 0.000 1.149 878 I CA -1.226 60.075 61.300 0.001 0.000 1.008 878 I CB 2.622 40.579 38.000 -0.072 0.000 1.232 878 I HN 0.350 nan 8.210 nan 0.000 0.435 879 V N 3.047 123.039 119.914 0.129 0.000 2.462 879 V HA 0.392 4.511 4.120 -0.001 0.000 0.288 879 V C -2.459 173.722 176.094 0.145 0.000 1.020 879 V CA -1.474 60.888 62.300 0.102 0.000 0.857 879 V CB 1.461 33.289 31.823 0.009 0.000 1.013 879 V HN 0.642 nan 8.190 nan 0.000 0.431 880 P HA 0.196 nan 4.420 nan 0.000 0.265 880 P C 0.453 177.679 177.300 -0.122 0.000 1.193 880 P CA 0.397 63.445 63.100 -0.088 0.000 0.765 880 P CB 0.844 32.534 31.700 -0.017 0.000 0.823 881 L N 2.141 123.235 121.223 -0.216 0.000 2.547 881 L HA 0.206 4.545 4.340 -0.001 0.000 0.218 881 L C 0.934 177.741 176.870 -0.105 0.000 1.048 881 L CA 0.418 55.197 54.840 -0.101 0.000 0.859 881 L CB -0.194 41.836 42.059 -0.047 0.000 1.128 881 L HN 0.339 nan 8.230 nan 0.000 0.483 882 K N 0.675 120.966 120.400 -0.181 0.000 2.324 882 K HA 0.471 4.791 4.320 -0.001 0.000 0.253 882 K C -0.277 176.227 176.600 -0.161 0.000 0.932 882 K CA -0.606 55.590 56.287 -0.151 0.000 0.799 882 K CB 1.749 34.163 32.500 -0.144 0.000 1.154 882 K HN -0.084 nan 8.250 nan 0.000 0.425 883 T N -0.685 113.797 114.554 -0.120 0.000 2.766 883 T HA 0.556 4.906 4.350 -0.001 0.000 0.295 883 T C 0.749 175.388 174.700 -0.101 0.000 1.024 883 T CA 0.288 62.325 62.100 -0.105 0.000 1.018 883 T CB 0.589 69.404 68.868 -0.088 0.000 1.002 883 T HN 1.208 nan 8.240 nan 0.000 0.532 884 G N -0.138 108.611 108.800 -0.086 0.000 2.603 884 G HA2 0.111 4.070 3.960 -0.001 0.000 0.686 884 G HA3 0.111 4.070 3.960 -0.001 0.000 0.686 884 G C -0.796 174.065 174.900 -0.064 0.000 1.286 884 G CA -0.539 44.518 45.100 -0.072 0.000 0.871 884 G HN 1.298 nan 8.290 nan 0.000 0.568 885 L N 1.357 122.552 121.223 -0.047 0.000 2.617 885 L HA 0.353 4.693 4.340 -0.001 0.000 0.282 885 L C 1.020 177.886 176.870 -0.007 0.000 1.174 885 L CA 0.082 54.905 54.840 -0.028 0.000 1.016 885 L CB -0.170 41.877 42.059 -0.019 0.000 1.337 885 L HN 0.586 nan 8.230 nan 0.000 0.460 886 Q N 3.233 123.042 119.800 0.016 0.000 2.189 886 Q HA 0.336 4.676 4.340 -0.001 0.000 0.193 886 Q C -0.434 175.663 176.000 0.162 0.000 1.034 886 Q CA -0.265 55.576 55.803 0.063 0.000 1.062 886 Q CB 0.861 29.595 28.738 -0.006 0.000 1.118 886 Q HN 0.664 nan 8.270 nan 0.000 0.569 887 E N 0.031 120.386 120.200 0.257 0.000 2.260 887 E HA 0.430 4.780 4.350 -0.001 0.000 0.266 887 E C -1.625 175.066 176.600 0.152 0.000 0.887 887 E CA -0.388 56.115 56.400 0.171 0.000 0.777 887 E CB 1.489 31.250 29.700 0.102 0.000 1.205 887 E HN 0.218 nan 8.360 nan 0.000 0.414 888 V N 4.074 123.980 119.914 -0.013 0.000 2.435 888 V HA 0.427 4.547 4.120 -0.001 0.000 0.290 888 V C -0.309 175.727 176.094 -0.096 0.000 1.030 888 V CA -0.548 61.642 62.300 -0.183 0.000 0.881 888 V CB 1.551 33.167 31.823 -0.344 0.000 0.983 888 V HN 0.740 nan 8.190 nan 0.000 0.445 889 E N 3.462 123.601 120.200 -0.102 0.000 2.263 889 E HA 0.672 5.021 4.350 -0.001 0.000 0.268 889 E C -1.508 175.040 176.600 -0.086 0.000 0.884 889 E CA -0.569 55.801 56.400 -0.050 0.000 0.766 889 E CB 2.258 31.956 29.700 -0.003 0.000 1.196 889 E HN 0.617 nan 8.360 nan 0.000 0.416 890 V N 0.875 120.751 119.914 -0.065 0.000 2.735 890 V HA 0.711 4.830 4.120 -0.001 0.000 0.310 890 V C -0.873 175.226 176.094 0.008 0.000 1.061 890 V CA -0.838 61.417 62.300 -0.075 0.000 0.913 890 V CB 1.737 33.484 31.823 -0.126 0.000 1.005 890 V HN 0.597 nan 8.190 nan 0.000 0.428 891 K N 2.377 122.795 120.400 0.031 0.000 2.385 891 K HA 0.957 5.277 4.320 -0.001 0.000 0.248 891 K C -0.902 175.761 176.600 0.105 0.000 0.955 891 K CA -0.576 55.755 56.287 0.072 0.000 0.816 891 K CB 2.577 35.117 32.500 0.066 0.000 1.250 891 K HN 1.251 nan 8.250 nan 0.000 0.434 892 A N 0.882 123.791 122.820 0.149 0.000 2.540 892 A HA 0.777 5.096 4.320 -0.001 0.000 0.297 892 A C -1.812 175.919 177.584 0.245 0.000 1.056 892 A CA -0.596 51.563 52.037 0.202 0.000 0.700 892 A CB 1.707 20.870 19.000 0.272 0.000 1.280 892 A HN 0.691 nan 8.150 nan 0.000 0.398 893 A N 0.977 123.876 122.820 0.132 0.000 2.454 893 A HA 0.845 5.164 4.320 -0.001 0.000 0.302 893 A C -0.214 177.319 177.584 -0.085 0.000 1.079 893 A CA -0.135 51.923 52.037 0.035 0.000 0.731 893 A CB 1.295 20.271 19.000 -0.040 0.000 1.299 893 A HN 2.186 nan 8.150 nan 0.000 0.413 894 V N -0.723 119.086 119.914 -0.176 0.000 2.617 894 V HA 0.646 4.765 4.120 -0.001 0.000 0.298 894 V C -0.601 175.402 176.094 -0.152 0.000 1.048 894 V CA -0.871 61.340 62.300 -0.147 0.000 0.964 894 V CB 0.467 32.146 31.823 -0.240 0.000 1.004 894 V HN 0.665 nan 8.190 nan 0.000 0.466 895 Y N 4.075 124.294 120.300 -0.136 0.000 2.346 895 Y HA 0.380 4.930 4.550 -0.001 0.000 0.330 895 Y C 1.548 177.334 175.900 -0.189 0.000 1.178 895 Y CA 1.090 59.047 58.100 -0.239 0.000 1.331 895 Y CB 0.159 38.490 38.460 -0.215 0.000 1.253 895 Y HN 0.921 nan 8.280 nan 0.000 0.529 896 H N -1.119 117.862 119.070 -0.149 0.000 4.919 896 H HA -0.304 4.252 4.556 -0.001 0.000 0.068 896 H C 0.055 175.222 175.328 -0.269 0.000 0.578 896 H CA 1.571 57.494 56.048 -0.207 0.000 1.013 896 H CB -1.224 28.446 29.762 -0.153 0.000 0.454 896 H HN 0.792 nan 8.280 nan 0.000 0.774 897 H N 0.320 119.361 119.070 -0.048 0.000 2.683 897 H HA 0.168 4.724 4.556 -0.001 0.000 0.339 897 H C 0.065 175.283 175.328 -0.184 0.000 1.081 897 H CA -0.200 55.817 56.048 -0.050 0.000 1.432 897 H CB 0.241 29.985 29.762 -0.030 0.000 1.462 897 H HN 0.038 nan 8.280 nan 0.000 0.557 898 F N 5.048 125.096 119.950 0.164 0.000 2.606 898 F HA 0.241 4.768 4.527 -0.001 0.000 0.347 898 F C -0.213 175.627 175.800 0.066 0.000 1.207 898 F CA -0.016 58.030 58.000 0.077 0.000 1.306 898 F CB -0.353 38.685 39.000 0.064 0.000 1.657 898 F HN 0.249 nan 8.300 nan 0.000 0.606 899 I N 0.204 120.857 120.570 0.138 0.000 2.934 899 I HA 0.660 4.829 4.170 -0.001 0.000 0.306 899 I C -0.393 175.816 176.117 0.154 0.000 1.110 899 I CA -0.844 60.541 61.300 0.142 0.000 1.019 899 I CB 2.474 40.530 38.000 0.094 0.000 1.227 899 I HN 0.177 nan 8.210 nan 0.000 0.434 900 S N 1.569 117.425 115.700 0.260 0.000 2.615 900 S HA 0.693 5.162 4.470 -0.001 0.000 0.268 900 S C -1.880 172.901 174.600 0.302 0.000 1.146 900 S CA -0.777 57.605 58.200 0.304 0.000 0.818 900 S CB 2.631 65.938 63.200 0.178 0.000 1.111 900 S HN 0.723 nan 8.310 nan 0.000 0.465 901 D N -0.772 119.782 120.400 0.257 0.000 2.726 901 D HA 0.524 5.163 4.640 -0.001 0.000 0.203 901 D C -0.402 175.976 176.300 0.129 0.000 1.297 901 D CA 0.210 54.308 54.000 0.164 0.000 0.863 901 D CB 1.384 42.254 40.800 0.118 0.000 1.669 901 D HN 0.968 nan 8.370 nan 0.000 0.561 902 G N 0.977 109.847 108.800 0.117 0.000 2.400 902 G HA2 0.617 4.577 3.960 -0.001 0.000 0.333 902 G HA3 0.617 4.577 3.960 -0.001 0.000 0.333 902 G C -0.932 174.046 174.900 0.129 0.000 1.143 902 G CA -0.573 44.589 45.100 0.103 0.000 0.914 902 G HN 0.353 nan 8.290 nan 0.000 0.480 903 V N 1.427 121.413 119.914 0.120 0.000 2.483 903 V HA 0.509 4.628 4.120 -0.001 0.000 0.297 903 V C 0.139 176.317 176.094 0.140 0.000 1.027 903 V CA -0.802 61.604 62.300 0.176 0.000 0.855 903 V CB 1.699 33.589 31.823 0.113 0.000 0.995 903 V HN 0.795 nan 8.190 nan 0.000 0.424 904 R N 3.885 124.515 120.500 0.216 0.000 2.724 904 R HA 0.390 4.729 4.340 -0.001 0.000 0.284 904 R C -0.096 176.324 176.300 0.201 0.000 1.481 904 R CA -0.379 55.809 56.100 0.147 0.000 1.652 904 R CB 0.340 30.701 30.300 0.102 0.000 1.175 904 R HN 0.655 nan 8.270 nan 0.000 0.613 905 K N 0.394 120.880 120.400 0.144 0.000 2.090 905 K HA 0.359 4.679 4.320 -0.001 0.000 0.250 905 K C -0.418 176.224 176.600 0.070 0.000 1.004 905 K CA -0.402 55.955 56.287 0.117 0.000 0.919 905 K CB 1.558 34.043 32.500 -0.024 0.000 1.045 905 K HN 0.174 nan 8.250 nan 0.000 0.471 906 S N 1.355 117.096 115.700 0.069 0.000 2.521 906 S HA 0.475 4.945 4.470 -0.001 0.000 0.295 906 S C -0.904 173.712 174.600 0.026 0.000 1.098 906 S CA -0.983 57.250 58.200 0.055 0.000 0.999 906 S CB 0.858 64.094 63.200 0.059 0.000 1.034 906 S HN 0.521 nan 8.310 nan 0.000 0.483 907 L N 0.061 121.304 121.223 0.033 0.000 2.362 907 L HA 0.714 5.054 4.340 -0.001 0.000 0.271 907 L C -0.850 176.003 176.870 -0.028 0.000 1.002 907 L CA -1.028 53.807 54.840 -0.009 0.000 0.818 907 L CB 1.291 43.356 42.059 0.010 0.000 1.298 907 L HN 0.348 nan 8.230 nan 0.000 0.420 908 K N 2.412 122.731 120.400 -0.135 0.000 2.322 908 K HA 0.394 4.714 4.320 -0.001 0.000 0.283 908 K C -0.864 175.675 176.600 -0.102 0.000 1.042 908 K CA -0.496 55.699 56.287 -0.153 0.000 0.958 908 K CB 1.760 34.083 32.500 -0.295 0.000 0.984 908 K HN 0.473 nan 8.250 nan 0.000 0.473 909 V N 4.566 124.437 119.914 -0.072 0.000 2.275 909 V HA 0.136 4.255 4.120 -0.001 0.000 0.272 909 V C -0.211 175.840 176.094 -0.072 0.000 1.028 909 V CA -0.834 61.432 62.300 -0.057 0.000 0.810 909 V CB 1.068 32.848 31.823 -0.072 0.000 1.043 909 V HN 0.453 nan 8.190 nan 0.000 0.453 910 V N 8.310 128.186 119.914 -0.064 0.000 2.472 910 V HA 0.414 4.534 4.120 -0.001 0.000 0.290 910 V C -1.383 174.670 176.094 -0.068 0.000 1.037 910 V CA -1.469 60.784 62.300 -0.078 0.000 0.908 910 V CB 1.903 33.684 31.823 -0.071 0.000 0.985 910 V HN 0.623 nan 8.190 nan 0.000 0.454 911 P HA 0.020 nan 4.420 nan 0.000 0.313 911 P C -0.427 176.844 177.300 -0.049 0.000 1.332 911 P CA -0.105 62.955 63.100 -0.067 0.000 0.777 911 P CB 0.394 32.046 31.700 -0.080 0.000 1.599 912 E N -0.531 119.649 120.200 -0.033 0.000 2.167 912 E HA 0.599 4.948 4.350 -0.001 0.000 0.247 912 E C -0.039 176.561 176.600 0.000 0.000 0.961 912 E CA -0.865 55.530 56.400 -0.009 0.000 0.797 912 E CB 0.116 29.817 29.700 0.002 0.000 1.182 912 E HN 0.471 nan 8.360 nan 0.000 0.437 913 G N 2.091 110.893 108.800 0.003 0.000 2.708 913 G HA2 0.607 4.567 3.960 -0.001 0.000 0.289 913 G HA3 0.607 4.567 3.960 -0.001 0.000 0.289 913 G C -1.595 173.358 174.900 0.089 0.000 1.416 913 G CA -0.857 44.271 45.100 0.046 0.000 0.829 913 G HN 0.468 nan 8.290 nan 0.000 0.480 914 I N 0.056 120.681 120.570 0.093 0.000 2.619 914 I HA 0.524 4.693 4.170 -0.001 0.000 0.292 914 I C -0.310 175.782 176.117 -0.042 0.000 1.100 914 I CA -1.165 60.163 61.300 0.047 0.000 1.043 914 I CB 1.848 39.849 38.000 0.002 0.000 1.239 914 I HN 0.338 nan 8.210 nan 0.000 0.420 915 R N 7.096 127.553 120.500 -0.071 0.000 2.640 915 R HA 0.393 4.732 4.340 -0.001 0.000 0.270 915 R C -0.825 175.324 176.300 -0.251 0.000 1.024 915 R CA 0.405 56.376 56.100 -0.215 0.000 1.085 915 R CB 0.568 30.782 30.300 -0.143 0.000 0.963 915 R HN 0.694 nan 8.270 nan 0.000 0.426 916 M N 1.837 121.214 119.600 -0.373 0.000 2.562 916 M HA 0.117 4.597 4.480 -0.001 0.000 0.281 916 M C -1.128 175.023 176.300 -0.248 0.000 1.195 916 M CA -0.781 54.327 55.300 -0.320 0.000 0.888 916 M CB 2.479 34.841 32.600 -0.396 0.000 1.731 916 M HN 0.545 nan 8.290 nan 0.000 0.493 917 N N 1.082 119.733 118.700 -0.083 0.000 2.765 917 N HA 0.266 5.005 4.740 -0.001 0.000 0.277 917 N C -1.489 174.066 175.510 0.075 0.000 1.750 917 N CA -0.708 52.352 53.050 0.016 0.000 0.827 917 N CB 0.409 38.892 38.487 -0.006 0.000 1.200 917 N HN 0.463 nan 8.380 nan 0.000 0.494 918 K N 0.446 120.949 120.400 0.172 0.000 2.489 918 K HA 0.074 4.394 4.320 -0.001 0.000 0.278 918 K C -0.184 176.470 176.600 0.089 0.000 1.000 918 K CA 0.440 56.814 56.287 0.145 0.000 1.012 918 K CB 0.349 32.973 32.500 0.207 0.000 0.903 918 K HN 0.308 nan 8.250 nan 0.000 0.485 919 T N 2.732 117.319 114.554 0.056 0.000 2.761 919 T HA 0.046 4.396 4.350 -0.001 0.000 0.296 919 T C 1.710 176.427 174.700 0.028 0.000 0.934 919 T CA -0.613 61.510 62.100 0.038 0.000 1.091 919 T CB 1.005 69.888 68.868 0.025 0.000 0.896 919 T HN 0.273 nan 8.240 nan 0.000 0.515 920 V N 2.550 122.481 119.914 0.027 0.000 2.221 920 V HA 0.186 4.306 4.120 -0.001 0.000 0.242 920 V C 1.150 177.241 176.094 -0.004 0.000 1.041 920 V CA 1.747 64.054 62.300 0.012 0.000 0.995 920 V CB -0.638 31.200 31.823 0.024 0.000 0.635 920 V HN 1.055 nan 8.190 nan 0.000 0.448 921 A N -0.946 121.873 122.820 -0.002 0.000 2.608 921 A HA 0.663 4.982 4.320 -0.001 0.000 0.292 921 A C -1.312 176.270 177.584 -0.003 0.000 1.066 921 A CA 0.057 52.087 52.037 -0.013 0.000 0.676 921 A CB 1.946 20.923 19.000 -0.038 0.000 1.277 921 A HN 0.918 nan 8.150 nan 0.000 0.413 922 V N -0.597 119.315 119.914 -0.005 0.000 2.439 922 V HA 0.790 4.909 4.120 -0.001 0.000 0.277 922 V C -0.542 175.551 176.094 -0.003 0.000 1.008 922 V CA -0.625 61.675 62.300 0.001 0.000 0.846 922 V CB 0.467 32.293 31.823 0.004 0.000 1.031 922 V HN 0.920 nan 8.190 nan 0.000 0.441 923 R N 1.676 122.175 120.500 -0.003 0.000 2.912 923 R HA 0.818 5.158 4.340 -0.001 0.000 0.262 923 R C -0.585 175.717 176.300 0.002 0.000 1.057 923 R CA -0.793 55.304 56.100 -0.004 0.000 0.981 923 R CB 2.378 32.671 30.300 -0.012 0.000 1.201 923 R HN 0.656 nan 8.270 nan 0.000 0.484 924 T N 1.924 116.479 114.554 0.003 0.000 2.837 924 T HA 0.393 4.742 4.350 -0.001 0.000 0.285 924 T C -0.229 174.476 174.700 0.007 0.000 0.984 924 T CA -0.533 61.572 62.100 0.007 0.000 1.049 924 T CB 0.635 69.509 68.868 0.009 0.000 0.947 924 T HN 0.161 nan 8.240 nan 0.000 0.472 925 L N 3.646 124.875 121.223 0.010 0.000 2.276 925 L HA 0.503 4.843 4.340 -0.001 0.000 0.286 925 L C -0.362 176.514 176.870 0.011 0.000 1.024 925 L CA -0.464 54.382 54.840 0.010 0.000 0.826 925 L CB 0.861 42.928 42.059 0.014 0.000 1.211 925 L HN 0.618 nan 8.230 nan 0.000 0.422 926 D N 4.896 125.301 120.400 0.009 0.000 2.351 926 D HA 0.221 4.861 4.640 -0.001 0.000 0.235 926 D C -2.184 174.120 176.300 0.007 0.000 1.331 926 D CA -1.325 52.681 54.000 0.009 0.000 0.959 926 D CB 2.033 42.840 40.800 0.013 0.000 1.432 926 D HN 0.035 nan 8.370 nan 0.000 0.544 927 P HA -0.136 nan 4.420 nan 0.000 0.216 927 P C 1.138 178.440 177.300 0.004 0.000 1.150 927 P CA 0.917 64.020 63.100 0.004 0.000 0.837 927 P CB 0.445 32.147 31.700 0.003 0.000 0.786 928 E N -0.746 119.455 120.200 0.003 0.000 2.267 928 E HA -0.222 4.127 4.350 -0.001 0.000 0.197 928 E C 2.008 178.612 176.600 0.006 0.000 0.998 928 E CA 1.322 57.724 56.400 0.002 0.000 0.830 928 E CB -0.155 29.543 29.700 -0.002 0.000 0.751 928 E HN -0.050 nan 8.360 nan 0.000 0.491 929 R N -0.852 119.653 120.500 0.008 0.000 2.215 929 R HA 0.346 4.685 4.340 -0.001 0.000 0.190 929 R C -0.218 176.088 176.300 0.010 0.000 0.968 929 R CA 0.440 56.547 56.100 0.011 0.000 1.122 929 R CB 0.161 30.470 30.300 0.015 0.000 1.151 929 R HN 0.120 nan 8.270 nan 0.000 0.582 930 L N 0.973 122.201 121.223 0.008 0.000 2.275 930 L HA 0.480 4.820 4.340 -0.001 0.000 0.288 930 L C 0.634 177.507 176.870 0.005 0.000 1.046 930 L CA 0.080 54.923 54.840 0.007 0.000 0.805 930 L CB 1.863 43.925 42.059 0.006 0.000 1.193 930 L HN 0.680 nan 8.230 nan 0.000 0.426 931 G N 2.095 110.897 108.800 0.004 0.000 2.176 931 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.253 931 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.253 931 G C 0.841 175.743 174.900 0.004 0.000 0.979 931 G CA 0.618 45.719 45.100 0.003 0.000 0.641 931 G HN 0.823 nan 8.290 nan 0.000 0.530 932 R N -0.300 120.203 120.500 0.005 0.000 3.844 932 R HA -0.424 3.916 4.340 -0.001 0.000 0.414 932 R C 1.548 177.851 176.300 0.005 0.000 0.248 932 R CA 3.517 59.620 56.100 0.005 0.000 1.320 932 R CB -1.652 28.651 30.300 0.005 0.000 0.937 932 R HN 1.040 nan 8.270 nan 0.000 0.585 933 E N -1.245 118.957 120.200 0.004 0.000 3.442 933 E HA -0.370 3.980 4.350 -0.001 0.000 0.345 933 E C 0.959 177.561 176.600 0.004 0.000 1.218 933 E CA 3.254 59.657 56.400 0.004 0.000 1.674 933 E CB -1.348 28.355 29.700 0.004 0.000 1.582 933 E HN 0.928 nan 8.360 nan 0.000 0.332 934 G N -1.750 107.053 108.800 0.004 0.000 3.987 934 G HA2 0.055 4.015 3.960 -0.001 0.000 0.220 934 G HA3 0.055 4.015 3.960 -0.001 0.000 0.220 934 G C -0.264 174.638 174.900 0.004 0.000 0.871 934 G CA 0.376 45.478 45.100 0.004 0.000 0.881 934 G HN 1.043 nan 8.290 nan 0.000 0.674 935 V N -0.763 119.153 119.914 0.005 0.000 2.464 935 V HA 0.592 4.712 4.120 -0.001 0.000 0.255 935 V C 0.028 176.125 176.094 0.006 0.000 0.946 935 V CA -0.602 61.701 62.300 0.006 0.000 0.988 935 V CB 0.597 32.424 31.823 0.007 0.000 1.210 935 V HN 0.370 nan 8.190 nan 0.000 0.523 936 Q N 3.177 122.980 119.800 0.006 0.000 2.269 936 Q HA 0.144 4.483 4.340 -0.001 0.000 0.300 936 Q C -0.003 176.001 176.000 0.006 0.000 1.070 936 Q CA 0.469 56.275 55.803 0.005 0.000 0.957 936 Q CB 0.657 29.398 28.738 0.005 0.000 1.131 936 Q HN 0.883 nan 8.270 nan 0.000 0.377 937 K N 2.292 122.694 120.400 0.003 0.000 2.166 937 K HA 0.649 4.969 4.320 -0.001 0.000 0.245 937 K C -1.210 175.386 176.600 -0.008 0.000 0.967 937 K CA -0.860 55.428 56.287 0.002 0.000 0.863 937 K CB 1.675 34.176 32.500 0.001 0.000 1.107 937 K HN 0.387 nan 8.250 nan 0.000 0.436 938 E N 0.734 120.924 120.200 -0.016 0.000 2.294 938 E HA 0.264 4.613 4.350 -0.001 0.000 0.272 938 E C -1.655 174.900 176.600 -0.076 0.000 0.896 938 E CA -0.446 55.930 56.400 -0.039 0.000 0.802 938 E CB 0.949 30.628 29.700 -0.035 0.000 1.267 938 E HN 0.595 nan 8.360 nan 0.000 0.406 939 D N 3.998 124.348 120.400 -0.083 0.000 2.312 939 D HA 0.285 4.925 4.640 -0.001 0.000 0.252 939 D C 0.038 176.229 176.300 -0.180 0.000 1.150 939 D CA 0.179 54.110 54.000 -0.115 0.000 0.870 939 D CB 0.807 41.560 40.800 -0.078 0.000 1.153 939 D HN 0.394 nan 8.370 nan 0.000 0.457 940 I N 3.774 124.166 120.570 -0.297 0.000 2.420 940 I HA 0.197 4.367 4.170 -0.001 0.000 0.282 940 I C -2.326 173.603 176.117 -0.313 0.000 1.019 940 I CA -2.084 58.975 61.300 -0.401 0.000 1.130 940 I CB 1.818 39.312 38.000 -0.844 0.000 1.262 940 I HN -0.060 nan 8.210 nan 0.000 0.454 941 P HA 0.174 nan 4.420 nan 0.000 0.271 941 P C -2.325 174.919 177.300 -0.093 0.000 1.216 941 P CA -0.826 62.207 63.100 -0.112 0.000 0.776 941 P CB -0.099 31.554 31.700 -0.078 0.000 0.881 942 P HA 0.153 nan 4.420 nan 0.000 0.275 942 P C -0.872 176.411 177.300 -0.028 0.000 1.266 942 P CA -0.441 62.653 63.100 -0.011 0.000 0.793 942 P CB 0.491 32.195 31.700 0.006 0.000 1.074 943 A N 1.416 124.217 122.820 -0.031 0.000 2.396 943 A HA 0.140 4.459 4.320 -0.001 0.000 0.279 943 A C 1.363 178.888 177.584 -0.097 0.000 1.165 943 A CA -0.344 51.649 52.037 -0.073 0.000 0.824 943 A CB -0.451 18.485 19.000 -0.106 0.000 1.100 943 A HN 0.654 nan 8.150 nan 0.000 0.516 944 D N 3.739 124.087 120.400 -0.087 0.000 2.117 944 D HA -0.194 4.446 4.640 -0.001 0.000 0.198 944 D C 0.812 177.043 176.300 -0.114 0.000 0.982 944 D CA 0.954 54.908 54.000 -0.077 0.000 0.828 944 D CB -0.889 39.881 40.800 -0.050 0.000 0.967 944 D HN 0.874 nan 8.370 nan 0.000 0.464 945 L N 1.132 122.247 121.223 -0.180 0.000 4.105 945 L HA -0.221 4.118 4.340 -0.001 0.000 0.484 945 L C 1.194 177.996 176.870 -0.113 0.000 1.129 945 L CA 0.633 55.318 54.840 -0.259 0.000 0.657 945 L CB -3.309 38.389 42.059 -0.601 0.000 1.409 945 L HN 0.121 nan 8.230 nan 0.000 0.770 946 S N -1.156 114.516 115.700 -0.047 0.000 2.500 946 S HA -0.105 4.364 4.470 -0.001 0.000 0.239 946 S C 0.985 175.594 174.600 0.016 0.000 0.989 946 S CA 0.658 58.850 58.200 -0.013 0.000 0.951 946 S CB -0.336 62.862 63.200 -0.003 0.000 0.759 946 S HN 0.830 nan 8.310 nan 0.000 0.523 947 D N 0.317 120.745 120.400 0.046 0.000 2.772 947 D HA 0.133 4.773 4.640 -0.001 0.000 0.272 947 D C -0.044 176.346 176.300 0.150 0.000 1.314 947 D CA -0.408 53.645 54.000 0.089 0.000 0.835 947 D CB -0.566 40.296 40.800 0.103 0.000 1.080 947 D HN 0.511 nan 8.370 nan 0.000 0.482 948 Q N 0.977 120.845 119.800 0.113 0.000 2.294 948 Q HA 0.279 4.618 4.340 -0.001 0.000 0.257 948 Q C -0.483 175.589 176.000 0.120 0.000 0.955 948 Q CA -0.649 55.256 55.803 0.170 0.000 0.936 948 Q CB 1.382 30.164 28.738 0.074 0.000 1.188 948 Q HN -0.001 nan 8.270 nan 0.000 0.420 949 V N 7.816 127.812 119.914 0.137 0.000 2.509 949 V HA 0.033 4.152 4.120 -0.001 0.000 0.297 949 V C -1.953 174.173 176.094 0.054 0.000 1.014 949 V CA -0.862 61.484 62.300 0.077 0.000 1.127 949 V CB 0.112 31.970 31.823 0.058 0.000 0.925 949 V HN 0.826 nan 8.190 nan 0.000 0.480 950 P HA 0.046 nan 4.420 nan 0.000 0.266 950 P C 0.363 177.664 177.300 0.002 0.000 1.193 950 P CA 0.457 63.565 63.100 0.013 0.000 0.770 950 P CB 0.202 31.903 31.700 0.002 0.000 0.836 951 D N -0.371 120.029 120.400 -0.000 0.000 2.947 951 D HA -0.125 4.515 4.640 -0.001 0.000 0.224 951 D C -0.794 175.502 176.300 -0.006 0.000 1.132 951 D CA 1.521 55.514 54.000 -0.011 0.000 0.801 951 D CB -1.589 39.193 40.800 -0.030 0.000 1.097 951 D HN 0.495 nan 8.370 nan 0.000 0.431 952 T N -1.949 112.620 114.554 0.024 0.000 2.893 952 T HA 0.699 5.049 4.350 -0.001 0.000 0.291 952 T C 0.008 174.765 174.700 0.095 0.000 1.028 952 T CA -0.935 61.197 62.100 0.055 0.000 0.995 952 T CB 2.128 71.049 68.868 0.089 0.000 1.051 952 T HN 0.115 nan 8.240 nan 0.000 0.470 953 E N 1.388 121.657 120.200 0.115 0.000 2.318 953 E HA 0.644 4.993 4.350 -0.001 0.000 0.265 953 E C -0.485 176.200 176.600 0.142 0.000 1.069 953 E CA -0.901 55.561 56.400 0.104 0.000 0.893 953 E CB 0.807 30.553 29.700 0.078 0.000 1.076 953 E HN 0.853 nan 8.360 nan 0.000 0.414 954 S N -0.232 115.527 115.700 0.099 0.000 2.592 954 S HA 0.404 4.873 4.470 -0.001 0.000 0.275 954 S C -1.031 173.605 174.600 0.061 0.000 1.169 954 S CA -1.183 57.079 58.200 0.104 0.000 0.958 954 S CB 0.657 63.929 63.200 0.120 0.000 1.095 954 S HN 0.661 nan 8.310 nan 0.000 0.471 955 E N 1.365 121.598 120.200 0.055 0.000 2.202 955 E HA 0.672 5.021 4.350 -0.001 0.000 0.272 955 E C -1.068 175.553 176.600 0.034 0.000 0.951 955 E CA -0.854 55.566 56.400 0.032 0.000 0.813 955 E CB 1.504 31.217 29.700 0.021 0.000 1.151 955 E HN 0.443 nan 8.360 nan 0.000 0.398 956 T N 2.395 116.962 114.554 0.021 0.000 2.779 956 T HA 0.340 4.690 4.350 -0.001 0.000 0.280 956 T C -0.553 174.153 174.700 0.010 0.000 0.987 956 T CA -0.692 61.427 62.100 0.032 0.000 0.966 956 T CB 0.900 69.799 68.868 0.051 0.000 0.933 956 T HN 0.415 nan 8.240 nan 0.000 0.442 957 R N 3.610 124.123 120.500 0.022 0.000 2.387 957 R HA 0.578 4.917 4.340 -0.001 0.000 0.314 957 R C -0.886 175.426 176.300 0.020 0.000 0.958 957 R CA -0.637 55.466 56.100 0.005 0.000 0.846 957 R CB 0.600 30.901 30.300 0.003 0.000 1.147 957 R HN 0.601 nan 8.270 nan 0.000 0.447 958 I N 5.685 126.253 120.570 -0.003 0.000 2.353 958 I HA 0.299 4.468 4.170 -0.001 0.000 0.293 958 I C -0.410 175.703 176.117 -0.006 0.000 0.992 958 I CA -0.777 60.536 61.300 0.022 0.000 1.268 958 I CB 1.648 39.650 38.000 0.004 0.000 1.387 958 I HN 0.475 nan 8.210 nan 0.000 0.478 959 L N 7.460 128.688 121.223 0.009 0.000 2.349 959 L HA 0.559 4.899 4.340 -0.001 0.000 0.278 959 L C -1.325 175.540 176.870 -0.008 0.000 0.996 959 L CA -0.524 54.309 54.840 -0.011 0.000 0.825 959 L CB 1.443 43.498 42.059 -0.005 0.000 1.243 959 L HN 0.544 nan 8.230 nan 0.000 0.412 960 L N 5.040 126.245 121.223 -0.030 0.000 2.287 960 L HA 0.535 4.874 4.340 -0.001 0.000 0.287 960 L C -0.584 176.272 176.870 -0.024 0.000 1.022 960 L CA -0.093 54.733 54.840 -0.022 0.000 0.814 960 L CB 1.761 43.800 42.059 -0.033 0.000 1.217 960 L HN 0.612 nan 8.230 nan 0.000 0.420 961 Q N 2.173 121.965 119.800 -0.013 0.000 2.323 961 Q HA 0.565 4.905 4.340 -0.001 0.000 0.271 961 Q C -0.492 175.503 176.000 -0.008 0.000 1.048 961 Q CA -0.671 55.123 55.803 -0.015 0.000 0.792 961 Q CB 2.170 30.901 28.738 -0.013 0.000 1.280 961 Q HN 0.691 nan 8.270 nan 0.000 0.441 962 G N 1.611 110.403 108.800 -0.013 0.000 2.370 962 G HA2 0.336 4.296 3.960 -0.001 0.000 0.272 962 G HA3 0.336 4.296 3.960 -0.001 0.000 0.272 962 G C -0.488 174.412 174.900 0.001 0.000 1.208 962 G CA -0.225 44.873 45.100 -0.004 0.000 0.856 962 G HN 0.569 nan 8.290 nan 0.000 0.500 963 T N 5.111 119.676 114.554 0.018 0.000 3.400 963 T HA 0.360 4.709 4.350 -0.001 0.000 0.362 963 T C -2.272 172.460 174.700 0.053 0.000 1.823 963 T CA -0.764 61.352 62.100 0.027 0.000 1.374 963 T CB 0.882 69.766 68.868 0.027 0.000 1.130 963 T HN 0.332 nan 8.240 nan 0.000 0.744 964 P HA 0.340 nan 4.420 nan 0.000 0.275 964 P C -0.652 176.730 177.300 0.137 0.000 1.227 964 P CA -0.559 62.617 63.100 0.126 0.000 0.781 964 P CB 0.780 32.552 31.700 0.121 0.000 0.906 965 V N -0.380 119.645 119.914 0.185 0.000 2.340 965 V HA 0.771 4.891 4.120 -0.001 0.000 0.277 965 V C 0.185 176.431 176.094 0.253 0.000 1.017 965 V CA -0.928 61.479 62.300 0.179 0.000 0.820 965 V CB 0.521 32.438 31.823 0.155 0.000 1.028 965 V HN 0.635 nan 8.190 nan 0.000 0.436 966 A N 3.671 126.613 122.820 0.204 0.000 2.599 966 A HA 0.873 5.192 4.320 -0.001 0.000 0.257 966 A C 0.327 177.969 177.584 0.097 0.000 1.641 966 A CA 0.024 52.177 52.037 0.193 0.000 0.842 966 A CB 0.250 19.374 19.000 0.207 0.000 1.599 966 A HN 1.139 nan 8.150 nan 0.000 0.585 967 Q N -3.481 116.362 119.800 0.071 0.000 1.569 967 Q HA -0.044 4.295 4.340 -0.001 0.000 0.226 967 Q C -1.185 174.825 176.000 0.017 0.000 1.054 967 Q CA 0.141 55.957 55.803 0.021 0.000 0.600 967 Q CB -0.668 28.053 28.738 -0.028 0.000 4.664 967 Q HN 1.345 nan 8.270 nan 0.000 0.405 968 M N -0.740 118.866 119.600 0.010 0.000 3.915 968 M HA -0.113 4.366 4.480 -0.001 0.000 0.159 968 M C -1.077 175.249 176.300 0.043 0.000 1.506 968 M CA 1.143 56.461 55.300 0.030 0.000 1.055 968 M CB -2.499 30.118 32.600 0.028 0.000 1.336 968 M HN 0.703 nan 8.290 nan 0.000 0.327 969 T N 2.019 116.614 114.554 0.069 0.000 3.829 969 T HA 0.253 4.603 4.350 -0.001 0.000 0.332 969 T C -0.229 174.569 174.700 0.162 0.000 0.845 969 T CA -0.782 61.371 62.100 0.089 0.000 1.010 969 T CB 1.462 70.344 68.868 0.024 0.000 1.051 969 T HN 0.423 nan 8.240 nan 0.000 0.465 970 E N 2.868 123.245 120.200 0.295 0.000 2.265 970 E HA 0.111 4.460 4.350 -0.001 0.000 0.272 970 E C -0.072 176.664 176.600 0.226 0.000 1.067 970 E CA -0.607 55.926 56.400 0.221 0.000 0.900 970 E CB 0.623 30.414 29.700 0.152 0.000 1.017 970 E HN 0.467 nan 8.360 nan 0.000 0.431 971 D N 1.664 122.145 120.400 0.134 0.000 2.461 971 D HA -0.023 4.617 4.640 -0.001 0.000 0.231 971 D C 0.263 176.641 176.300 0.130 0.000 1.208 971 D CA 0.468 54.538 54.000 0.117 0.000 0.879 971 D CB 0.670 41.518 40.800 0.081 0.000 1.220 971 D HN 0.489 nan 8.370 nan 0.000 0.480 972 A N 1.426 124.329 122.820 0.137 0.000 2.951 972 A HA 0.468 4.788 4.320 -0.001 0.000 0.239 972 A C -0.067 177.643 177.584 0.210 0.000 1.623 972 A CA -0.542 51.614 52.037 0.197 0.000 0.868 972 A CB 0.103 19.201 19.000 0.162 0.000 1.712 972 A HN 0.334 nan 8.150 nan 0.000 0.558 973 V N 1.077 121.198 119.914 0.344 0.000 2.686 973 V HA 0.044 4.164 4.120 -0.001 0.000 0.295 973 V C 1.404 177.636 176.094 0.231 0.000 1.055 973 V CA 0.616 63.087 62.300 0.285 0.000 1.050 973 V CB 1.025 33.054 31.823 0.342 0.000 0.984 973 V HN 0.992 nan 8.190 nan 0.000 0.482 974 D N 3.173 123.693 120.400 0.200 0.000 2.149 974 D HA -0.177 4.463 4.640 -0.001 0.000 0.198 974 D C 1.671 178.047 176.300 0.127 0.000 0.990 974 D CA 1.938 56.024 54.000 0.143 0.000 0.839 974 D CB 0.054 40.932 40.800 0.129 0.000 0.948 974 D HN 0.921 nan 8.370 nan 0.000 0.460 975 A N -1.357 121.553 122.820 0.150 0.000 3.870 975 A HA -0.401 3.919 4.320 -0.001 0.000 0.246 975 A C 1.957 179.623 177.584 0.137 0.000 0.669 975 A CA 2.998 55.111 52.037 0.126 0.000 1.221 975 A CB -2.340 16.710 19.000 0.084 0.000 1.199 975 A HN 0.527 nan 8.150 nan 0.000 0.685 976 E N -0.088 120.163 120.200 0.084 0.000 2.160 976 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 976 E C 1.577 178.167 176.600 -0.017 0.000 0.991 976 E CA 1.599 58.019 56.400 0.033 0.000 0.810 976 E CB -0.721 28.989 29.700 0.017 0.000 0.742 976 E HN 0.911 nan 8.360 nan 0.000 0.466 977 R N -0.893 119.578 120.500 -0.048 0.000 2.935 977 R HA 0.492 4.832 4.340 -0.001 0.000 0.354 977 R C -0.013 176.176 176.300 -0.186 0.000 1.206 977 R CA -0.110 55.906 56.100 -0.140 0.000 1.082 977 R CB -0.052 30.116 30.300 -0.220 0.000 1.431 977 R HN 0.272 nan 8.270 nan 0.000 0.582 978 L N 1.411 122.615 121.223 -0.031 0.000 2.574 978 L HA 0.314 4.653 4.340 -0.001 0.000 0.258 978 L C -0.792 176.123 176.870 0.074 0.000 1.520 978 L CA -0.171 54.677 54.840 0.013 0.000 0.775 978 L CB 0.585 42.657 42.059 0.021 0.000 1.028 978 L HN 0.095 nan 8.230 nan 0.000 0.516 979 K N 1.669 122.134 120.400 0.109 0.000 2.901 979 K HA 0.292 4.611 4.320 -0.001 0.000 0.199 979 K C 0.384 177.061 176.600 0.128 0.000 1.140 979 K CA -0.265 56.096 56.287 0.124 0.000 1.030 979 K CB 0.206 32.690 32.500 -0.027 0.000 1.437 979 K HN 0.500 nan 8.250 nan 0.000 0.552 980 H N -1.212 117.889 119.070 0.051 0.000 3.950 980 H HA 0.121 4.677 4.556 -0.001 0.000 0.262 980 H C 1.098 176.442 175.328 0.027 0.000 1.115 980 H CA -0.274 55.792 56.048 0.030 0.000 1.171 980 H CB 0.104 29.870 29.762 0.007 0.000 1.477 980 H HN 0.153 nan 8.280 nan 0.000 0.729 981 L N 1.662 122.638 121.223 -0.412 0.000 2.362 981 L HA 0.016 4.355 4.340 -0.001 0.000 0.219 981 L C 0.673 177.502 176.870 -0.069 0.000 1.134 981 L CA 0.468 55.152 54.840 -0.260 0.000 0.807 981 L CB -0.090 41.725 42.059 -0.406 0.000 0.927 981 L HN 0.184 nan 8.230 nan 0.000 0.447 982 I N 1.389 121.958 120.570 -0.003 0.000 2.330 982 I HA 0.039 4.209 4.170 -0.001 0.000 0.280 982 I C 0.192 176.350 176.117 0.069 0.000 1.069 982 I CA 0.191 61.528 61.300 0.061 0.000 1.873 982 I CB -1.009 37.068 38.000 0.127 0.000 1.476 982 I HN -0.180 nan 8.210 nan 0.000 0.813 983 V N 2.895 122.846 119.914 0.063 0.000 2.498 983 V HA 0.158 4.278 4.120 -0.001 0.000 0.279 983 V C 0.935 177.066 176.094 0.062 0.000 1.048 983 V CA -0.426 61.916 62.300 0.069 0.000 0.967 983 V CB 1.382 33.251 31.823 0.076 0.000 0.988 983 V HN 0.526 nan 8.190 nan 0.000 0.473 984 T N 7.958 122.546 114.554 0.058 0.000 2.751 984 T HA 0.186 4.536 4.350 -0.001 0.000 0.290 984 T C -2.274 172.455 174.700 0.049 0.000 0.919 984 T CA -0.545 61.587 62.100 0.053 0.000 1.136 984 T CB 0.382 69.279 68.868 0.048 0.000 0.875 984 T HN 0.491 nan 8.240 nan 0.000 0.532 985 P HA 0.214 nan 4.420 nan 0.000 0.264 985 P C -0.489 176.835 177.300 0.040 0.000 1.193 985 P CA -0.041 63.087 63.100 0.046 0.000 0.763 985 P CB 0.474 32.206 31.700 0.053 0.000 0.810 986 S N 1.244 116.960 115.700 0.027 0.000 2.587 986 S HA 0.842 5.312 4.470 -0.001 0.000 0.269 986 S C -0.196 174.404 174.600 0.001 0.000 1.154 986 S CA -0.095 58.121 58.200 0.028 0.000 0.824 986 S CB 1.564 64.786 63.200 0.037 0.000 1.118 986 S HN 0.860 nan 8.310 nan 0.000 0.462 987 G N -0.117 108.689 108.800 0.009 0.000 2.341 987 G HA2 0.043 4.003 3.960 -0.001 0.000 0.196 987 G HA3 0.043 4.003 3.960 -0.001 0.000 0.196 987 G C 0.267 175.117 174.900 -0.083 0.000 1.231 987 G CA -0.112 44.974 45.100 -0.023 0.000 1.155 987 G HN 1.445 nan 8.290 nan 0.000 0.529 988 C N -0.325 118.820 119.300 -0.259 0.000 1.822 988 C HA 0.720 5.180 4.460 -0.001 0.000 0.085 988 C C 2.802 176.981 174.990 -1.350 0.000 2.775 988 C CA 1.353 59.987 59.018 -0.640 0.000 1.806 988 C CB -0.096 27.173 27.740 -0.784 0.000 2.480 988 C HN 1.437 nan 8.230 nan 0.000 0.258 989 G N 0.134 108.090 108.800 -1.406 0.000 2.447 989 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.211 989 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.211 989 G C 1.394 176.015 174.900 -0.466 0.000 1.184 989 G CA 0.883 45.298 45.100 -1.142 0.000 0.813 989 G HN 0.861 nan 8.290 nan 0.000 0.540 990 E N 0.143 120.175 120.200 -0.279 0.000 2.170 990 E HA -0.011 4.338 4.350 -0.001 0.000 0.191 990 E C 2.212 178.722 176.600 -0.151 0.000 0.981 990 E CA 0.456 56.797 56.400 -0.100 0.000 0.830 990 E CB -0.356 29.366 29.700 0.036 0.000 0.775 990 E HN 0.440 nan 8.360 nan 0.000 0.470 991 Q N 0.725 120.396 119.800 -0.214 0.000 2.170 991 Q HA -0.149 4.191 4.340 -0.001 0.000 0.203 991 Q C 1.853 177.770 176.000 -0.139 0.000 0.976 991 Q CA 1.417 57.089 55.803 -0.218 0.000 0.858 991 Q CB -0.204 28.443 28.738 -0.152 0.000 0.907 991 Q HN 0.225 nan 8.270 nan 0.000 0.433 992 N N 0.171 118.778 118.700 -0.155 0.000 2.270 992 N HA -0.099 4.640 4.740 -0.001 0.000 0.181 992 N C 1.524 177.028 175.510 -0.010 0.000 1.016 992 N CA 1.042 54.044 53.050 -0.080 0.000 0.870 992 N CB 0.126 38.546 38.487 -0.111 0.000 0.979 992 N HN 0.097 nan 8.380 nan 0.000 0.431 993 M N 0.164 119.763 119.600 -0.001 0.000 2.156 993 M HA 0.040 4.520 4.480 -0.001 0.000 0.264 993 M C 1.935 178.305 176.300 0.117 0.000 1.067 993 M CA 0.819 56.181 55.300 0.103 0.000 1.131 993 M CB -0.800 31.900 32.600 0.167 0.000 1.368 993 M HN 0.184 nan 8.290 nan 0.000 0.416 994 I N -0.434 120.160 120.570 0.039 0.000 2.454 994 I HA -0.170 3.999 4.170 -0.001 0.000 0.254 994 I C 2.328 178.476 176.117 0.052 0.000 1.156 994 I CA 1.254 62.571 61.300 0.028 0.000 1.433 994 I CB -0.864 37.091 38.000 -0.076 0.000 1.082 994 I HN 0.318 nan 8.210 nan 0.000 0.432 995 G N 0.275 109.098 108.800 0.038 0.000 2.603 995 G HA2 0.008 3.968 3.960 -0.001 0.000 0.214 995 G HA3 0.008 3.968 3.960 -0.001 0.000 0.214 995 G C 1.677 176.621 174.900 0.073 0.000 1.140 995 G CA 0.807 45.937 45.100 0.051 0.000 0.800 995 G HN 0.341 nan 8.290 nan 0.000 0.533 996 M N -0.205 119.447 119.600 0.086 0.000 2.510 996 M HA 0.254 4.734 4.480 -0.001 0.000 0.256 996 M C 2.493 178.870 176.300 0.129 0.000 1.132 996 M CA 1.792 57.148 55.300 0.095 0.000 1.105 996 M CB -1.301 31.353 32.600 0.091 0.000 1.375 996 M HN 0.089 nan 8.290 nan 0.000 0.477 997 T N 1.871 116.526 114.554 0.170 0.000 2.652 997 T HA -0.097 4.253 4.350 -0.001 0.000 0.267 997 T C -0.203 174.648 174.700 0.252 0.000 1.039 997 T CA 2.090 64.342 62.100 0.254 0.000 1.153 997 T CB -1.060 67.995 68.868 0.312 0.000 0.863 997 T HN 0.624 nan 8.240 nan 0.000 0.428 998 P HA -0.075 nan 4.420 nan 0.000 0.215 998 P C 1.460 178.771 177.300 0.019 0.000 1.153 998 P CA 1.421 64.573 63.100 0.086 0.000 0.853 998 P CB -0.353 31.386 31.700 0.066 0.000 0.788 999 T N 0.219 114.801 114.554 0.047 0.000 2.777 999 T HA -0.066 4.284 4.350 -0.001 0.000 0.266 999 T C 2.056 176.784 174.700 0.047 0.000 1.040 999 T CA 1.230 63.349 62.100 0.033 0.000 1.141 999 T CB -0.979 67.921 68.868 0.055 0.000 0.868 999 T HN -0.117 nan 8.240 nan 0.000 0.444 1000 V N 1.268 121.234 119.914 0.088 0.000 2.261 1000 V HA -0.104 4.015 4.120 -0.001 0.000 0.246 1000 V C 2.351 178.506 176.094 0.103 0.000 1.047 1000 V CA 1.320 63.683 62.300 0.105 0.000 1.015 1000 V CB -0.526 31.385 31.823 0.146 0.000 0.642 1000 V HN 0.357 nan 8.190 nan 0.000 0.446 1001 I N 0.379 121.010 120.570 0.103 0.000 2.614 1001 I HA -0.079 4.091 4.170 -0.001 0.000 0.258 1001 I C 2.249 178.327 176.117 -0.065 0.000 1.189 1001 I CA 1.298 62.591 61.300 -0.011 0.000 1.462 1001 I CB -0.572 37.388 38.000 -0.068 0.000 1.092 1001 I HN 0.175 nan 8.210 nan 0.000 0.442 1002 A N -0.464 122.271 122.820 -0.141 0.000 1.873 1002 A HA -0.117 4.202 4.320 -0.001 0.000 0.215 1002 A C 2.341 179.827 177.584 -0.162 0.000 1.186 1002 A CA 1.959 53.824 52.037 -0.287 0.000 0.616 1002 A CB -1.120 17.694 19.000 -0.311 0.000 0.823 1002 A HN 0.247 nan 8.150 nan 0.000 0.442 1003 V N -0.254 119.666 119.914 0.010 0.000 2.343 1003 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 1003 V C 2.479 178.676 176.094 0.170 0.000 1.051 1003 V CA 2.466 64.883 62.300 0.195 0.000 1.036 1003 V CB -1.094 30.869 31.823 0.233 0.000 0.654 1003 V HN 0.861 nan 8.190 nan 0.000 0.451 1004 H N -1.226 117.870 119.070 0.044 0.000 2.421 1004 H HA -0.229 4.326 4.556 -0.001 0.000 0.298 1004 H C 2.035 177.383 175.328 0.034 0.000 1.087 1004 H CA 2.080 58.148 56.048 0.033 0.000 1.330 1004 H CB -0.147 29.615 29.762 -0.001 0.000 1.388 1004 H HN 0.529 nan 8.280 nan 0.000 0.526 1005 Y N 0.058 120.295 120.300 -0.106 0.000 2.269 1005 Y HA 0.011 4.560 4.550 -0.001 0.000 0.294 1005 Y C 1.959 177.722 175.900 -0.229 0.000 1.120 1005 Y CA 1.103 59.114 58.100 -0.148 0.000 1.159 1005 Y CB -0.007 38.383 38.460 -0.117 0.000 1.024 1005 Y HN 0.183 nan 8.280 nan 0.000 0.532 1006 L N -0.240 120.830 121.223 -0.256 0.000 2.291 1006 L HA -0.150 4.189 4.340 -0.001 0.000 0.214 1006 L C 1.619 178.329 176.870 -0.267 0.000 1.120 1006 L CA 0.980 55.481 54.840 -0.564 0.000 0.799 1006 L CB -0.407 40.804 42.059 -1.413 0.000 0.925 1006 L HN 0.172 nan 8.230 nan 0.000 0.446 1007 D N -0.051 120.355 120.400 0.009 0.000 2.123 1007 D HA -0.130 4.510 4.640 -0.001 0.000 0.200 1007 D C 2.066 178.324 176.300 -0.070 0.000 0.976 1007 D CA 0.970 55.035 54.000 0.108 0.000 0.831 1007 D CB 0.057 40.900 40.800 0.071 0.000 0.974 1007 D HN 0.206 nan 8.370 nan 0.000 0.469 1008 E N -0.234 119.832 120.200 -0.223 0.000 2.435 1008 E HA -0.017 4.332 4.350 -0.001 0.000 0.195 1008 E C 1.515 177.974 176.600 -0.236 0.000 1.029 1008 E CA 0.618 56.875 56.400 -0.238 0.000 0.865 1008 E CB 0.104 29.615 29.700 -0.315 0.000 0.833 1008 E HN 0.403 nan 8.360 nan 0.000 0.510 1009 T N -1.154 113.229 114.554 -0.286 0.000 3.044 1009 T HA -0.009 4.341 4.350 -0.001 0.000 0.260 1009 T C 0.565 175.182 174.700 -0.140 0.000 1.019 1009 T CA -0.029 61.919 62.100 -0.254 0.000 0.921 1009 T CB 0.059 68.686 68.868 -0.401 0.000 1.053 1009 T HN 0.089 nan 8.240 nan 0.000 0.533 1010 E N 1.674 121.826 120.200 -0.080 0.000 2.202 1010 E HA -0.335 4.014 4.350 -0.001 0.000 0.214 1010 E C -0.190 176.417 176.600 0.011 0.000 1.303 1010 E CA 0.844 57.261 56.400 0.028 0.000 0.714 1010 E CB -2.421 27.301 29.700 0.037 0.000 1.130 1010 E HN 0.788 nan 8.360 nan 0.000 0.356 1011 Q N -1.213 118.523 119.800 -0.106 0.000 2.222 1011 Q HA 0.120 4.460 4.340 -0.001 0.000 0.206 1011 Q C 0.720 176.685 176.000 -0.058 0.000 0.877 1011 Q CA -0.001 55.751 55.803 -0.086 0.000 0.958 1011 Q CB -0.139 28.522 28.738 -0.128 0.000 1.075 1011 Q HN 0.506 nan 8.270 nan 0.000 0.483 1012 W N 1.301 122.620 121.300 0.032 0.000 2.525 1012 W HA -0.075 4.585 4.660 -0.001 0.000 0.259 1012 W C 1.586 178.175 176.519 0.116 0.000 1.253 1012 W CA 0.584 57.980 57.345 0.085 0.000 1.262 1012 W CB 0.390 29.870 29.460 0.032 0.000 1.122 1012 W HN 0.293 nan 8.180 nan 0.000 0.607 1013 E N 0.318 120.676 120.200 0.263 0.000 2.046 1013 E HA -0.161 4.188 4.350 -0.001 0.000 0.190 1013 E C 1.963 178.650 176.600 0.144 0.000 0.982 1013 E CA 0.862 57.367 56.400 0.175 0.000 0.800 1013 E CB -0.160 29.609 29.700 0.115 0.000 0.756 1013 E HN 0.091 nan 8.360 nan 0.000 0.449 1014 K N 0.074 120.552 120.400 0.129 0.000 2.365 1014 K HA -0.006 4.314 4.320 -0.001 0.000 0.197 1014 K C 1.591 178.261 176.600 0.117 0.000 1.042 1014 K CA 0.453 56.798 56.287 0.096 0.000 0.987 1014 K CB -0.042 32.502 32.500 0.074 0.000 0.779 1014 K HN 0.133 nan 8.250 nan 0.000 0.484 1015 F N 1.033 120.990 119.950 0.011 0.000 2.317 1015 F HA 0.244 4.770 4.527 -0.001 0.000 0.290 1015 F C 0.402 176.251 175.800 0.081 0.000 1.075 1015 F CA 1.026 59.022 58.000 -0.007 0.000 1.380 1015 F CB 0.781 39.695 39.000 -0.143 0.000 1.093 1015 F HN 0.110 nan 8.300 nan 0.000 0.524 1016 G N 0.924 109.914 108.800 0.318 0.000 2.951 1016 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.508 1016 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.508 1016 G C 0.122 175.264 174.900 0.404 0.000 1.203 1016 G CA -0.226 45.012 45.100 0.230 0.000 1.209 1016 G HN 0.286 nan 8.290 nan 0.000 0.552 1017 L N 0.939 122.317 121.223 0.258 0.000 2.046 1017 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 1017 L C 2.671 179.568 176.870 0.044 0.000 1.077 1017 L CA 2.128 57.059 54.840 0.151 0.000 0.747 1017 L CB -0.198 41.904 42.059 0.072 0.000 0.896 1017 L HN 0.770 nan 8.230 nan 0.000 0.432 1018 E N 0.021 120.255 120.200 0.056 0.000 2.526 1018 E HA -0.128 4.221 4.350 -0.001 0.000 0.198 1018 E C 1.399 178.027 176.600 0.047 0.000 1.091 1018 E CA 0.618 57.030 56.400 0.020 0.000 0.880 1018 E CB -0.276 29.433 29.700 0.016 0.000 0.873 1018 E HN 0.389 nan 8.360 nan 0.000 0.527 1019 K N 0.174 120.654 120.400 0.133 0.000 2.334 1019 K HA 0.172 4.491 4.320 -0.001 0.000 0.195 1019 K C 1.937 178.661 176.600 0.207 0.000 1.045 1019 K CA -0.007 56.410 56.287 0.216 0.000 1.004 1019 K CB 0.183 32.898 32.500 0.359 0.000 0.837 1019 K HN 0.020 nan 8.250 nan 0.000 0.510 1020 R N 1.471 121.953 120.500 -0.029 0.000 2.096 1020 R HA -0.183 4.156 4.340 -0.001 0.000 0.235 1020 R C 2.253 178.430 176.300 -0.204 0.000 1.127 1020 R CA 1.531 57.373 56.100 -0.429 0.000 0.968 1020 R CB 0.077 29.610 30.300 -1.278 0.000 0.861 1020 R HN 0.002 nan 8.270 nan 0.000 0.440 1021 Q N -0.054 119.658 119.800 -0.148 0.000 2.135 1021 Q HA -0.079 4.261 4.340 -0.001 0.000 0.204 1021 Q C 1.719 177.699 176.000 -0.032 0.000 0.981 1021 Q CA 2.098 57.846 55.803 -0.091 0.000 0.856 1021 Q CB -0.625 28.070 28.738 -0.072 0.000 0.902 1021 Q HN 0.470 nan 8.270 nan 0.000 0.425 1022 G N -0.808 107.997 108.800 0.008 0.000 2.534 1022 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.217 1022 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.217 1022 G C 1.289 176.223 174.900 0.056 0.000 1.128 1022 G CA 0.653 45.776 45.100 0.038 0.000 0.784 1022 G HN 0.485 nan 8.290 nan 0.000 0.542 1023 A N 0.484 123.345 122.820 0.067 0.000 1.911 1023 A HA 0.301 4.621 4.320 -0.001 0.000 0.212 1023 A C 2.235 179.843 177.584 0.041 0.000 1.189 1023 A CA 0.459 52.549 52.037 0.087 0.000 0.639 1023 A CB -0.251 18.852 19.000 0.170 0.000 0.839 1023 A HN 0.226 nan 8.150 nan 0.000 0.449 1024 L N 0.445 121.667 121.223 -0.002 0.000 2.079 1024 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 1024 L C 2.302 179.164 176.870 -0.013 0.000 1.081 1024 L CA 1.967 56.793 54.840 -0.024 0.000 0.752 1024 L CB -1.433 40.590 42.059 -0.061 0.000 0.896 1024 L HN 0.552 nan 8.230 nan 0.000 0.433 1025 E N -0.369 119.830 120.200 -0.003 0.000 2.106 1025 E HA -0.174 4.175 4.350 -0.001 0.000 0.192 1025 E C 2.354 178.967 176.600 0.022 0.000 0.984 1025 E CA 0.678 57.081 56.400 0.006 0.000 0.806 1025 E CB -0.018 29.687 29.700 0.009 0.000 0.750 1025 E HN 0.450 nan 8.360 nan 0.000 0.458 1026 L N 0.632 121.873 121.223 0.031 0.000 2.156 1026 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 1026 L C 2.347 179.241 176.870 0.040 0.000 1.095 1026 L CA 0.657 55.521 54.840 0.041 0.000 0.770 1026 L CB -0.250 41.840 42.059 0.051 0.000 0.914 1026 L HN 0.160 nan 8.230 nan 0.000 0.439 1027 I N 0.003 120.590 120.570 0.028 0.000 2.233 1027 I HA -0.276 3.894 4.170 -0.001 0.000 0.243 1027 I C 2.661 178.783 176.117 0.009 0.000 1.093 1027 I CA 1.256 62.565 61.300 0.014 0.000 1.380 1027 I CB -0.268 37.729 38.000 -0.004 0.000 1.067 1027 I HN 0.223 nan 8.210 nan 0.000 0.413 1028 K N 1.546 121.948 120.400 0.002 0.000 2.148 1028 K HA -0.220 4.099 4.320 -0.001 0.000 0.204 1028 K C 2.194 178.850 176.600 0.094 0.000 1.050 1028 K CA 1.373 57.672 56.287 0.021 0.000 0.942 1028 K CB 0.041 32.536 32.500 -0.008 0.000 0.724 1028 K HN 0.108 nan 8.250 nan 0.000 0.446 1029 K N -0.363 120.077 120.400 0.066 0.000 2.097 1029 K HA -0.070 4.250 4.320 -0.001 0.000 0.205 1029 K C 1.957 178.605 176.600 0.080 0.000 1.050 1029 K CA 1.349 57.678 56.287 0.070 0.000 0.938 1029 K CB -0.164 32.367 32.500 0.052 0.000 0.718 1029 K HN 0.301 nan 8.250 nan 0.000 0.442 1030 G N -0.166 108.680 108.800 0.078 0.000 2.422 1030 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.218 1030 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.218 1030 G C 1.334 176.294 174.900 0.099 0.000 1.140 1030 G CA 0.683 45.830 45.100 0.080 0.000 0.775 1030 G HN 0.438 nan 8.290 nan 0.000 0.545 1031 Y N 1.921 122.194 120.300 -0.045 0.000 2.200 1031 Y HA -0.108 4.442 4.550 -0.001 0.000 0.290 1031 Y C 2.914 178.841 175.900 0.044 0.000 1.137 1031 Y CA 2.174 60.227 58.100 -0.078 0.000 1.163 1031 Y CB -0.333 37.995 38.460 -0.220 0.000 0.988 1031 Y HN 0.164 nan 8.280 nan 0.000 0.518 1032 T N 0.620 115.190 114.554 0.026 0.000 2.777 1032 T HA -0.195 4.154 4.350 -0.001 0.000 0.266 1032 T C 1.660 176.337 174.700 -0.038 0.000 1.040 1032 T CA 1.786 63.860 62.100 -0.044 0.000 1.141 1032 T CB -0.233 68.674 68.868 0.065 0.000 0.868 1032 T HN 0.478 nan 8.240 nan 0.000 0.444 1033 Q N 0.399 120.221 119.800 0.036 0.000 2.224 1033 Q HA -0.097 4.242 4.340 -0.001 0.000 0.203 1033 Q C 2.325 178.441 176.000 0.194 0.000 0.970 1033 Q CA 0.914 56.780 55.803 0.105 0.000 0.865 1033 Q CB -0.132 28.679 28.738 0.122 0.000 0.922 1033 Q HN 0.353 nan 8.270 nan 0.000 0.445 1034 Q N 0.723 120.593 119.800 0.117 0.000 2.311 1034 Q HA -0.015 4.325 4.340 -0.001 0.000 0.203 1034 Q C 1.586 177.653 176.000 0.111 0.000 0.954 1034 Q CA 0.803 56.704 55.803 0.164 0.000 0.885 1034 Q CB 0.112 28.961 28.738 0.185 0.000 0.963 1034 Q HN 0.383 nan 8.270 nan 0.000 0.471 1035 L N -0.607 120.593 121.223 -0.039 0.000 2.291 1035 L HA 0.042 4.381 4.340 -0.001 0.000 0.214 1035 L C 1.861 178.686 176.870 -0.075 0.000 1.120 1035 L CA 0.733 55.515 54.840 -0.097 0.000 0.799 1035 L CB -0.468 41.480 42.059 -0.186 0.000 0.925 1035 L HN 0.184 nan 8.230 nan 0.000 0.446 1036 A N -0.987 121.779 122.820 -0.089 0.000 2.235 1036 A HA 0.031 4.350 4.320 -0.001 0.000 0.208 1036 A C 1.066 178.294 177.584 -0.593 0.000 1.172 1036 A CA 0.661 52.508 52.037 -0.316 0.000 0.786 1036 A CB -0.493 18.270 19.000 -0.395 0.000 0.804 1036 A HN 0.419 nan 8.150 nan 0.000 0.479 1037 F N -1.194 118.708 119.950 -0.080 0.000 2.817 1037 F HA 0.299 4.826 4.527 -0.001 0.000 0.319 1037 F C 0.763 176.504 175.800 -0.098 0.000 1.136 1037 F CA -0.515 57.434 58.000 -0.084 0.000 1.177 1037 F CB 0.513 39.455 39.000 -0.098 0.000 1.088 1037 F HN 0.049 nan 8.300 nan 0.000 0.520 1038 R N 2.382 122.884 120.500 0.003 0.000 2.308 1038 R HA 0.232 4.571 4.340 -0.001 0.000 0.325 1038 R C 0.061 176.314 176.300 -0.078 0.000 1.161 1038 R CA -0.088 55.978 56.100 -0.057 0.000 1.022 1038 R CB 0.257 30.512 30.300 -0.074 0.000 1.091 1038 R HN 0.350 nan 8.270 nan 0.000 0.497 1039 Q N 3.942 123.686 119.800 -0.093 0.000 2.584 1039 Q HA 0.033 4.373 4.340 -0.001 0.000 0.235 1039 Q C -1.222 174.707 176.000 -0.117 0.000 1.079 1039 Q CA -1.344 54.400 55.803 -0.098 0.000 0.977 1039 Q CB 0.394 29.064 28.738 -0.112 0.000 1.293 1039 Q HN 0.486 nan 8.270 nan 0.000 0.553 1040 P HA -0.186 nan 4.420 nan 0.000 0.219 1040 P C 0.555 177.795 177.300 -0.101 0.000 1.144 1040 P CA 1.052 64.113 63.100 -0.066 0.000 0.806 1040 P CB 0.085 31.767 31.700 -0.030 0.000 0.771 1047 F N 1.468 121.478 119.950 0.099 0.000 2.412 1047 F HA 0.363 4.889 4.527 -0.001 0.000 0.348 1047 F C 1.866 177.759 175.800 0.155 0.000 1.102 1047 F CA 0.759 58.866 58.000 0.177 0.000 1.196 1047 F CB 1.758 40.830 39.000 0.119 0.000 1.144 1047 F HN 0.409 nan 8.300 nan 0.000 0.541 1048 V N 0.614 120.739 119.914 0.352 0.000 2.594 1048 V HA -0.230 3.889 4.120 -0.001 0.000 0.253 1048 V C 1.659 177.845 176.094 0.153 0.000 1.069 1048 V CA 1.629 64.041 62.300 0.186 0.000 1.082 1048 V CB -0.882 30.998 31.823 0.096 0.000 0.680 1048 V HN 0.778 nan 8.190 nan 0.000 0.469 1049 K N 0.420 120.938 120.400 0.196 0.000 2.365 1049 K HA 0.049 4.368 4.320 -0.001 0.000 0.199 1049 K C 1.407 178.065 176.600 0.097 0.000 1.045 1049 K CA 0.381 56.736 56.287 0.112 0.000 0.962 1049 K CB -0.037 32.505 32.500 0.071 0.000 0.759 1049 K HN 0.547 nan 8.250 nan 0.000 0.469 1050 R N 0.768 121.355 120.500 0.145 0.000 2.573 1050 R HA 0.396 4.736 4.340 -0.001 0.000 0.272 1050 R C -0.832 175.528 176.300 0.099 0.000 1.009 1050 R CA -0.418 55.753 56.100 0.118 0.000 1.059 1050 R CB 0.976 31.373 30.300 0.162 0.000 1.112 1050 R HN 0.016 nan 8.270 nan 0.000 0.517 1051 A N 4.273 127.146 122.820 0.087 0.000 2.462 1051 A HA 0.282 4.601 4.320 -0.001 0.000 0.243 1051 A C -2.027 175.616 177.584 0.099 0.000 1.076 1051 A CA -1.244 50.848 52.037 0.091 0.000 0.773 1051 A CB -0.199 18.858 19.000 0.095 0.000 1.010 1051 A HN 0.595 nan 8.150 nan 0.000 0.493 1052 P HA 0.035 nan 4.420 nan 0.000 0.265 1052 P C -0.179 177.224 177.300 0.171 0.000 1.193 1052 P CA 0.268 63.393 63.100 0.041 0.000 0.765 1052 P CB 0.723 32.372 31.700 -0.085 0.000 0.823 1053 S N 1.415 117.207 115.700 0.153 0.000 2.508 1053 S HA 0.275 4.744 4.470 -0.001 0.000 0.284 1053 S C 1.333 176.135 174.600 0.336 0.000 1.192 1053 S CA -0.411 57.929 58.200 0.234 0.000 1.070 1053 S CB 0.385 63.711 63.200 0.210 0.000 1.004 1053 S HN 0.394 nan 8.310 nan 0.000 0.493 1054 T N 3.874 118.649 114.554 0.369 0.000 2.812 1054 T HA -0.058 4.292 4.350 -0.001 0.000 0.264 1054 T C 1.217 176.121 174.700 0.340 0.000 1.042 1054 T CA 1.117 63.452 62.100 0.391 0.000 1.140 1054 T CB -0.350 68.692 68.868 0.289 0.000 0.870 1054 T HN 0.853 nan 8.240 nan 0.000 0.445 1055 W N 1.489 122.868 121.300 0.133 0.000 2.379 1055 W HA 0.015 4.675 4.660 -0.001 0.000 0.307 1055 W C 1.907 178.515 176.519 0.148 0.000 1.200 1055 W CA 0.383 57.779 57.345 0.086 0.000 1.297 1055 W CB -0.554 28.864 29.460 -0.070 0.000 1.140 1055 W HN 0.099 nan 8.180 nan 0.000 0.507 1056 L N 0.799 122.262 121.223 0.399 0.000 2.012 1056 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 1056 L C 2.313 179.190 176.870 0.012 0.000 1.073 1056 L CA 2.829 57.789 54.840 0.199 0.000 0.748 1056 L CB -1.382 40.834 42.059 0.263 0.000 0.891 1056 L HN -0.031 nan 8.230 nan 0.000 0.431 1057 T N -0.237 114.351 114.554 0.056 0.000 2.788 1057 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 1057 T C 1.865 176.546 174.700 -0.031 0.000 1.044 1057 T CA 1.293 63.393 62.100 -0.000 0.000 1.139 1057 T CB -0.495 68.428 68.868 0.092 0.000 0.867 1057 T HN 0.529 nan 8.240 nan 0.000 0.454 1058 A N 0.173 122.995 122.820 0.003 0.000 1.969 1058 A HA -0.034 4.285 4.320 -0.001 0.000 0.218 1058 A C 2.068 179.576 177.584 -0.128 0.000 1.169 1058 A CA 1.148 53.156 52.037 -0.047 0.000 0.635 1058 A CB -0.812 18.207 19.000 0.032 0.000 0.810 1058 A HN 0.581 nan 8.150 nan 0.000 0.445 1059 Y N 0.359 120.459 120.300 -0.333 0.000 2.314 1059 Y HA -0.082 4.467 4.550 -0.001 0.000 0.293 1059 Y C 2.245 177.966 175.900 -0.299 0.000 1.129 1059 Y CA 1.408 59.270 58.100 -0.397 0.000 1.201 1059 Y CB -0.174 37.806 38.460 -0.801 0.000 0.999 1059 Y HN 0.059 nan 8.280 nan 0.000 0.541 1060 V N -0.823 118.927 119.914 -0.274 0.000 2.332 1060 V HA -0.332 3.788 4.120 -0.001 0.000 0.248 1060 V C 2.306 178.150 176.094 -0.417 0.000 1.055 1060 V CA 1.865 63.938 62.300 -0.378 0.000 1.038 1060 V CB -0.915 30.633 31.823 -0.459 0.000 0.651 1060 V HN 0.328 nan 8.190 nan 0.000 0.450 1061 V N -0.043 119.678 119.914 -0.323 0.000 2.407 1061 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 1061 V C 2.395 178.396 176.094 -0.155 0.000 1.055 1061 V CA 2.328 64.505 62.300 -0.205 0.000 1.049 1061 V CB -0.732 30.999 31.823 -0.154 0.000 0.662 1061 V HN 0.587 nan 8.190 nan 0.000 0.455 1062 K N 0.149 120.379 120.400 -0.284 0.000 2.026 1062 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 1062 K C 2.061 178.538 176.600 -0.205 0.000 1.048 1062 K CA 1.847 57.964 56.287 -0.283 0.000 0.929 1062 K CB -0.174 32.047 32.500 -0.466 0.000 0.713 1062 K HN 0.333 nan 8.250 nan 0.000 0.439 1063 V N 0.840 120.526 119.914 -0.380 0.000 2.323 1063 V HA -0.190 3.930 4.120 -0.001 0.000 0.244 1063 V C 2.155 178.318 176.094 0.115 0.000 1.041 1063 V CA 1.523 63.723 62.300 -0.167 0.000 1.025 1063 V CB -0.599 31.053 31.823 -0.285 0.000 0.656 1063 V HN 0.210 nan 8.190 nan 0.000 0.451 1064 F N 1.158 121.040 119.950 -0.113 0.000 2.102 1064 F HA -0.153 4.373 4.527 -0.001 0.000 0.298 1064 F C 2.732 178.513 175.800 -0.031 0.000 1.105 1064 F CA 1.720 59.702 58.000 -0.030 0.000 1.239 1064 F CB -1.118 37.884 39.000 0.004 0.000 0.991 1064 F HN 0.052 nan 8.300 nan 0.000 0.474 1065 S N 0.027 115.818 115.700 0.151 0.000 2.419 1065 S HA -0.151 4.318 4.470 -0.001 0.000 0.233 1065 S C 2.102 176.724 174.600 0.036 0.000 1.016 1065 S CA 0.875 59.117 58.200 0.069 0.000 0.974 1065 S CB -0.479 62.740 63.200 0.032 0.000 0.786 1065 S HN 0.374 nan 8.310 nan 0.000 0.492 1066 L N 0.541 121.786 121.223 0.036 0.000 2.270 1066 L HA 0.235 4.575 4.340 -0.001 0.000 0.210 1066 L C 1.559 178.419 176.870 -0.018 0.000 1.104 1066 L CA 0.570 55.397 54.840 -0.022 0.000 0.804 1066 L CB -0.200 41.839 42.059 -0.034 0.000 0.937 1066 L HN 0.276 nan 8.230 nan 0.000 0.450 1067 A N -0.851 121.963 122.820 -0.010 0.000 2.684 1067 A HA 0.257 4.576 4.320 -0.001 0.000 0.288 1067 A C 1.489 179.024 177.584 -0.082 0.000 1.337 1067 A CA 0.397 52.408 52.037 -0.045 0.000 0.946 1067 A CB -0.566 18.379 19.000 -0.093 0.000 1.093 1067 A HN 0.309 nan 8.150 nan 0.000 0.543 1068 V N -3.013 116.877 119.914 -0.040 0.000 2.788 1068 V HA -0.095 4.024 4.120 -0.001 0.000 0.251 1068 V C 1.267 177.332 176.094 -0.047 0.000 1.068 1068 V CA 2.026 64.296 62.300 -0.049 0.000 1.090 1068 V CB -0.970 30.846 31.823 -0.011 0.000 0.710 1068 V HN 0.591 nan 8.190 nan 0.000 0.467 1069 N N 0.238 118.927 118.700 -0.019 0.000 2.353 1069 N HA 0.294 5.034 4.740 -0.001 0.000 0.185 1069 N C 1.571 177.065 175.510 -0.028 0.000 1.098 1069 N CA 0.387 53.428 53.050 -0.015 0.000 0.872 1069 N CB 0.143 38.639 38.487 0.014 0.000 0.970 1069 N HN 0.427 nan 8.380 nan 0.000 0.467 1070 L N 0.525 121.725 121.223 -0.038 0.000 2.145 1070 L HA 0.265 4.604 4.340 -0.001 0.000 0.201 1070 L C 1.086 177.903 176.870 -0.089 0.000 1.075 1070 L CA 0.604 55.416 54.840 -0.047 0.000 0.773 1070 L CB -0.156 41.887 42.059 -0.027 0.000 0.936 1070 L HN 0.161 nan 8.230 nan 0.000 0.451 1071 I N -3.823 116.665 120.570 -0.137 0.000 3.516 1071 I HA 0.660 4.830 4.170 -0.001 0.000 0.302 1071 I C -0.417 175.567 176.117 -0.222 0.000 1.143 1071 I CA -1.216 59.971 61.300 -0.187 0.000 1.003 1071 I CB 1.789 39.635 38.000 -0.256 0.000 1.347 1071 I HN -0.243 nan 8.210 nan 0.000 0.486 1072 A N 3.003 125.663 122.820 -0.266 0.000 2.650 1072 A HA 0.519 4.839 4.320 -0.001 0.000 0.320 1072 A C -0.200 177.158 177.584 -0.376 0.000 1.466 1072 A CA -0.357 51.538 52.037 -0.236 0.000 1.099 1072 A CB -0.782 18.128 19.000 -0.152 0.000 1.136 1072 A HN 0.438 nan 8.150 nan 0.000 0.532 1073 I N 2.088 122.477 120.570 -0.301 0.000 2.396 1073 I HA 0.083 4.253 4.170 -0.001 0.000 0.289 1073 I C 0.321 176.425 176.117 -0.021 0.000 1.056 1073 I CA -0.262 60.892 61.300 -0.244 0.000 1.365 1073 I CB 0.737 38.675 38.000 -0.103 0.000 1.407 1073 I HN 0.535 nan 8.210 nan 0.000 0.509 1074 D N 4.157 124.634 120.400 0.128 0.000 2.390 1074 D HA 0.093 4.732 4.640 -0.001 0.000 0.249 1074 D C 0.987 177.370 176.300 0.139 0.000 1.144 1074 D CA 0.231 54.323 54.000 0.154 0.000 0.880 1074 D CB 1.170 42.107 40.800 0.228 0.000 1.182 1074 D HN 0.421 nan 8.370 nan 0.000 0.451 1075 S N 2.572 118.323 115.700 0.086 0.000 2.406 1075 S HA -0.131 4.339 4.470 -0.001 0.000 0.228 1075 S C 1.707 176.348 174.600 0.069 0.000 1.020 1075 S CA 0.519 58.761 58.200 0.070 0.000 0.965 1075 S CB 0.015 63.243 63.200 0.046 0.000 0.798 1075 S HN 0.554 nan 8.310 nan 0.000 0.488 1076 Q N 0.785 120.626 119.800 0.069 0.000 2.079 1076 Q HA -0.018 4.321 4.340 -0.001 0.000 0.200 1076 Q C 2.426 178.459 176.000 0.055 0.000 0.974 1076 Q CA 1.086 56.923 55.803 0.056 0.000 0.840 1076 Q CB -0.710 28.058 28.738 0.051 0.000 0.898 1076 Q HN 0.457 nan 8.270 nan 0.000 0.430 1077 V N 1.018 120.982 119.914 0.082 0.000 2.323 1077 V HA -0.196 3.923 4.120 -0.001 0.000 0.244 1077 V C 2.308 178.421 176.094 0.031 0.000 1.041 1077 V CA 1.177 63.514 62.300 0.061 0.000 1.025 1077 V CB -0.649 31.248 31.823 0.124 0.000 0.656 1077 V HN 0.190 nan 8.190 nan 0.000 0.451 1078 L N 0.312 121.587 121.223 0.086 0.000 1.994 1078 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 1078 L C 2.369 179.252 176.870 0.022 0.000 1.071 1078 L CA 2.263 57.133 54.840 0.051 0.000 0.745 1078 L CB -0.924 41.206 42.059 0.118 0.000 0.892 1078 L HN 0.372 nan 8.230 nan 0.000 0.431 1079 c N 0.087 118.712 118.600 0.041 0.000 2.432 1079 c HA 0.043 4.613 4.570 -0.001 0.000 0.280 1079 c C 2.742 176.860 174.090 0.047 0.000 1.353 1079 c CA 0.295 56.648 56.329 0.040 0.000 1.766 1079 c CB -2.009 40.525 42.510 0.040 0.000 1.924 1079 c HN 0.763 nan 8.230 nan 0.000 0.509 1080 G N 0.716 109.539 108.800 0.039 0.000 2.422 1080 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.218 1080 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.218 1080 G C 1.832 176.772 174.900 0.067 0.000 1.146 1080 G CA 1.040 46.166 45.100 0.043 0.000 0.769 1080 G HN 0.604 nan 8.290 nan 0.000 0.547 1081 A N -0.038 122.801 122.820 0.032 0.000 1.930 1081 A HA 0.223 4.542 4.320 -0.001 0.000 0.215 1081 A C 2.563 180.246 177.584 0.165 0.000 1.176 1081 A CA 1.464 53.542 52.037 0.067 0.000 0.632 1081 A CB -0.385 18.586 19.000 -0.049 0.000 0.819 1081 A HN 0.221 nan 8.150 nan 0.000 0.445 1082 V N 0.533 120.503 119.914 0.093 0.000 2.343 1082 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 1082 V C 2.513 178.681 176.094 0.123 0.000 1.051 1082 V CA 2.327 64.681 62.300 0.090 0.000 1.036 1082 V CB -0.648 31.203 31.823 0.046 0.000 0.654 1082 V HN 0.688 nan 8.190 nan 0.000 0.451 1083 K N -1.312 119.163 120.400 0.124 0.000 2.209 1083 K HA -0.254 4.065 4.320 -0.001 0.000 0.204 1083 K C 1.996 178.693 176.600 0.162 0.000 1.048 1083 K CA 1.789 58.147 56.287 0.118 0.000 0.940 1083 K CB -0.216 32.345 32.500 0.101 0.000 0.729 1083 K HN 0.602 nan 8.250 nan 0.000 0.451 1084 W N 1.239 122.556 121.300 0.028 0.000 2.407 1084 W HA -0.065 4.594 4.660 -0.001 0.000 0.305 1084 W C 1.386 177.944 176.519 0.064 0.000 1.196 1084 W CA 1.001 58.367 57.345 0.035 0.000 1.311 1084 W CB -0.230 29.245 29.460 0.025 0.000 1.135 1084 W HN -0.061 nan 8.180 nan 0.000 0.514 1085 L N 0.389 121.696 121.223 0.140 0.000 2.191 1085 L HA -0.230 4.110 4.340 -0.001 0.000 0.212 1085 L C 2.231 179.132 176.870 0.053 0.000 1.103 1085 L CA 1.206 56.060 54.840 0.022 0.000 0.769 1085 L CB -0.651 41.532 42.059 0.206 0.000 0.908 1085 L HN 0.086 nan 8.230 nan 0.000 0.438 1086 I N -0.755 119.842 120.570 0.046 0.000 2.339 1086 I HA -0.218 3.951 4.170 -0.001 0.000 0.245 1086 I C 2.079 178.130 176.117 -0.111 0.000 1.096 1086 I CA 1.099 62.406 61.300 0.012 0.000 1.408 1086 I CB -0.065 37.961 38.000 0.042 0.000 1.092 1086 I HN 0.164 nan 8.210 nan 0.000 0.423 1087 L N -0.081 121.072 121.223 -0.116 0.000 2.509 1087 L HA 0.016 4.355 4.340 -0.001 0.000 0.222 1087 L C 2.159 178.906 176.870 -0.205 0.000 1.123 1087 L CA 0.473 55.237 54.840 -0.127 0.000 0.856 1087 L CB -0.191 41.831 42.059 -0.061 0.000 0.985 1087 L HN 0.236 nan 8.230 nan 0.000 0.456 1088 E N -0.032 119.952 120.200 -0.361 0.000 2.329 1088 E HA 0.101 4.451 4.350 -0.001 0.000 0.189 1088 E C 0.634 176.977 176.600 -0.428 0.000 0.997 1088 E CA 0.314 56.436 56.400 -0.463 0.000 1.062 1088 E CB 0.211 29.378 29.700 -0.888 0.000 1.260 1088 E HN 0.045 nan 8.360 nan 0.000 0.490 1089 K N 2.045 122.122 120.400 -0.539 0.000 3.165 1089 K HA 0.216 4.536 4.320 -0.001 0.000 0.259 1089 K C -0.198 176.231 176.600 -0.286 0.000 1.282 1089 K CA 0.009 56.099 56.287 -0.328 0.000 1.259 1089 K CB 0.106 32.437 32.500 -0.282 0.000 1.546 1089 K HN 0.173 nan 8.250 nan 0.000 0.384 1090 Q N 1.102 120.663 119.800 -0.399 0.000 2.269 1090 Q HA 0.210 4.549 4.340 -0.001 0.000 0.263 1090 Q C -1.080 174.668 176.000 -0.421 0.000 0.983 1090 Q CA -0.495 54.927 55.803 -0.635 0.000 0.777 1090 Q CB 1.524 29.809 28.738 -0.756 0.000 1.273 1090 Q HN 0.094 nan 8.270 nan 0.000 0.440 1091 K N 3.608 123.768 120.400 -0.400 0.000 2.219 1091 K HA 0.144 4.464 4.320 -0.001 0.000 0.258 1091 K C -1.820 174.630 176.600 -0.250 0.000 1.008 1091 K CA -1.508 54.613 56.287 -0.276 0.000 0.928 1091 K CB 0.505 32.850 32.500 -0.258 0.000 0.983 1091 K HN 0.390 nan 8.250 nan 0.000 0.484 1092 P HA -0.199 nan 4.420 nan 0.000 0.218 1092 P C 0.301 177.530 177.300 -0.118 0.000 1.146 1092 P CA 1.353 64.376 63.100 -0.128 0.000 0.813 1092 P CB 0.072 31.718 31.700 -0.089 0.000 0.778 1093 D N -2.165 118.153 120.400 -0.137 0.000 2.355 1093 D HA 0.061 4.700 4.640 -0.001 0.000 0.218 1093 D C 1.461 177.686 176.300 -0.126 0.000 1.004 1093 D CA 0.923 54.867 54.000 -0.095 0.000 0.880 1093 D CB -0.845 39.909 40.800 -0.077 0.000 0.911 1093 D HN 0.245 nan 8.370 nan 0.000 0.528 1094 G N -0.662 107.998 108.800 -0.232 0.000 2.179 1094 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.220 1094 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.220 1094 G C 0.071 174.744 174.900 -0.379 0.000 0.990 1094 G CA 0.027 44.976 45.100 -0.251 0.000 0.646 1094 G HN 0.355 nan 8.290 nan 0.000 0.517 1095 V N 1.464 121.081 119.914 -0.495 0.000 2.614 1095 V HA 0.565 4.685 4.120 -0.001 0.000 0.291 1095 V C 0.431 176.288 176.094 -0.395 0.000 1.049 1095 V CA -0.113 61.903 62.300 -0.474 0.000 1.038 1095 V CB 0.799 32.210 31.823 -0.687 0.000 0.980 1095 V HN 0.207 nan 8.190 nan 0.000 0.481 1096 F N 3.329 123.204 119.950 -0.126 0.000 2.410 1096 F HA 0.456 4.983 4.527 -0.001 0.000 0.349 1096 F C 0.425 176.197 175.800 -0.047 0.000 1.117 1096 F CA -0.096 57.862 58.000 -0.070 0.000 1.104 1096 F CB 1.151 40.146 39.000 -0.008 0.000 1.122 1096 F HN 0.451 nan 8.300 nan 0.000 0.483 1097 Q N 2.602 122.449 119.800 0.077 0.000 2.282 1097 Q HA 0.288 4.628 4.340 -0.001 0.000 0.260 1097 Q C -1.015 175.038 176.000 0.089 0.000 0.964 1097 Q CA -1.010 54.823 55.803 0.050 0.000 0.880 1097 Q CB 1.712 30.440 28.738 -0.016 0.000 1.286 1097 Q HN 0.610 nan 8.270 nan 0.000 0.445 1098 E N 2.458 122.713 120.200 0.092 0.000 2.167 1098 E HA 0.094 4.443 4.350 -0.001 0.000 0.284 1098 E C -0.845 175.804 176.600 0.081 0.000 1.016 1098 E CA 0.064 56.529 56.400 0.108 0.000 0.817 1098 E CB 0.927 30.684 29.700 0.096 0.000 1.080 1098 E HN 0.577 nan 8.360 nan 0.000 0.397 1099 D N 3.221 123.682 120.400 0.103 0.000 2.422 1099 D HA 0.194 4.834 4.640 -0.001 0.000 0.218 1099 D C -0.365 175.989 176.300 0.089 0.000 1.047 1099 D CA 0.455 54.506 54.000 0.086 0.000 0.885 1099 D CB 0.670 41.527 40.800 0.095 0.000 1.035 1099 D HN 0.362 nan 8.370 nan 0.000 0.502 1100 A N 1.651 124.540 122.820 0.115 0.000 2.943 1100 A HA 0.511 4.831 4.320 -0.001 0.000 0.327 1100 A C -2.707 174.933 177.584 0.094 0.000 1.141 1100 A CA -1.218 50.879 52.037 0.101 0.000 0.773 1100 A CB 0.766 19.839 19.000 0.121 0.000 1.143 1100 A HN -0.196 nan 8.150 nan 0.000 0.463 1101 P HA 0.164 nan 4.420 nan 0.000 0.265 1101 P C 0.634 177.941 177.300 0.010 0.000 1.193 1101 P CA 0.148 63.255 63.100 0.011 0.000 0.765 1101 P CB 0.685 32.369 31.700 -0.027 0.000 0.823 1102 V N 2.184 122.090 119.914 -0.012 0.000 2.872 1102 V HA 0.016 4.136 4.120 -0.001 0.000 0.307 1102 V C 1.559 177.637 176.094 -0.027 0.000 1.072 1102 V CA 0.153 62.459 62.300 0.009 0.000 1.148 1102 V CB -0.364 31.455 31.823 -0.006 0.000 0.954 1102 V HN 0.450 nan 8.190 nan 0.000 0.490 1103 I N 1.389 121.964 120.570 0.008 0.000 2.113 1103 I HA -0.114 4.055 4.170 -0.001 0.000 0.238 1103 I C 1.403 177.435 176.117 -0.140 0.000 1.070 1103 I CA 1.213 62.473 61.300 -0.067 0.000 1.332 1103 I CB -0.545 37.409 38.000 -0.077 0.000 1.044 1103 I HN 0.716 nan 8.210 nan 0.000 0.402 1104 H N 3.962 123.009 119.070 -0.039 0.000 3.330 1104 H HA 0.063 4.619 4.556 -0.001 0.000 0.260 1104 H C 0.445 175.678 175.328 -0.159 0.000 1.439 1104 H CA 0.089 56.096 56.048 -0.069 0.000 1.540 1104 H CB 0.278 30.000 29.762 -0.067 0.000 1.698 1104 H HN 0.364 nan 8.280 nan 0.000 0.516 1105 Q N 1.960 121.714 119.800 -0.076 0.000 2.387 1105 Q HA -0.062 4.277 4.340 -0.001 0.000 0.211 1105 Q C 1.342 177.251 176.000 -0.153 0.000 0.952 1105 Q CA 0.313 56.021 55.803 -0.157 0.000 0.957 1105 Q CB 0.318 28.984 28.738 -0.120 0.000 1.002 1105 Q HN 0.745 nan 8.270 nan 0.000 0.502 1106 E N -0.714 119.400 120.200 -0.143 0.000 2.511 1106 E HA -0.041 4.309 4.350 -0.001 0.000 0.209 1106 E C 1.460 177.928 176.600 -0.219 0.000 0.986 1106 E CA 0.133 56.421 56.400 -0.188 0.000 0.974 1106 E CB -0.116 29.358 29.700 -0.377 0.000 1.030 1106 E HN 0.399 nan 8.360 nan 0.000 0.490 1107 M N 0.173 119.630 119.600 -0.239 0.000 2.509 1107 M HA 0.287 4.767 4.480 -0.001 0.000 0.250 1107 M C 2.045 178.179 176.300 -0.278 0.000 1.132 1107 M CA 0.488 55.665 55.300 -0.204 0.000 1.080 1107 M CB -0.539 31.968 32.600 -0.153 0.000 1.408 1107 M HN 0.060 nan 8.290 nan 0.000 0.484 1108 I N -1.465 118.764 120.570 -0.569 0.000 2.761 1108 I HA 0.408 4.578 4.170 -0.001 0.000 0.261 1108 I C 1.327 177.311 176.117 -0.222 0.000 1.198 1108 I CA 0.489 61.303 61.300 -0.809 0.000 1.482 1108 I CB -0.876 36.376 38.000 -1.247 0.000 1.100 1108 I HN 0.482 nan 8.210 nan 0.000 0.445 1109 G N 1.680 110.436 108.800 -0.074 0.000 2.523 1109 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.271 1109 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.271 1109 G C 0.825 175.676 174.900 -0.082 0.000 1.146 1109 G CA 0.092 45.284 45.100 0.154 0.000 0.961 1109 G HN 0.607 nan 8.290 nan 0.000 0.549 1110 G N -0.343 108.291 108.800 -0.278 0.000 2.708 1110 G HA2 0.278 4.237 3.960 -0.001 0.000 0.210 1110 G HA3 0.278 4.237 3.960 -0.001 0.000 0.210 1110 G C 1.490 175.917 174.900 -0.789 0.000 1.141 1110 G CA 1.379 45.783 45.100 -1.158 0.000 0.788 1110 G HN 0.647 nan 8.290 nan 0.000 0.531 1111 L N -0.412 120.587 121.223 -0.374 0.000 2.554 1111 L HA 0.282 4.622 4.340 -0.001 0.000 0.226 1111 L C 2.519 179.203 176.870 -0.311 0.000 1.137 1111 L CA 0.434 55.119 54.840 -0.258 0.000 0.863 1111 L CB -0.152 41.762 42.059 -0.242 0.000 0.985 1111 L HN 0.154 nan 8.230 nan 0.000 0.451 1112 R N 0.076 120.349 120.500 -0.378 0.000 2.148 1112 R HA -0.071 4.269 4.340 -0.001 0.000 0.223 1112 R C 0.824 176.971 176.300 -0.255 0.000 1.088 1112 R CA 0.258 56.182 56.100 -0.293 0.000 0.985 1112 R CB 0.014 30.172 30.300 -0.237 0.000 0.880 1112 R HN 0.252 nan 8.270 nan 0.000 0.451 1113 N N 1.251 119.751 118.700 -0.334 0.000 2.438 1113 N HA -0.044 4.696 4.740 -0.001 0.000 0.267 1113 N C -0.355 175.064 175.510 -0.152 0.000 1.222 1113 N CA 0.442 53.347 53.050 -0.243 0.000 0.930 1113 N CB 0.468 38.776 38.487 -0.299 0.000 1.083 1113 N HN 0.234 nan 8.380 nan 0.000 0.476 1114 N N 2.169 120.807 118.700 -0.104 0.000 2.443 1114 N HA -0.114 4.626 4.740 -0.001 0.000 0.184 1114 N C -0.505 174.979 175.510 -0.043 0.000 1.037 1114 N CA 0.336 53.346 53.050 -0.066 0.000 0.896 1114 N CB -0.059 38.398 38.487 -0.049 0.000 0.959 1114 N HN 0.502 nan 8.380 nan 0.000 0.442 1115 N N 2.486 121.157 118.700 -0.048 0.000 2.434 1115 N HA -0.011 4.728 4.740 -0.001 0.000 0.268 1115 N C -0.572 174.936 175.510 -0.004 0.000 1.256 1115 N CA 0.585 53.620 53.050 -0.024 0.000 0.914 1115 N CB 0.133 38.603 38.487 -0.028 0.000 1.088 1115 N HN 0.156 nan 8.380 nan 0.000 0.478 1116 E N 0.260 120.469 120.200 0.015 0.000 2.240 1116 E HA -0.276 4.073 4.350 -0.001 0.000 0.194 1116 E C 0.159 176.793 176.600 0.057 0.000 1.385 1116 E CA 0.414 56.839 56.400 0.042 0.000 0.686 1116 E CB -0.830 28.894 29.700 0.040 0.000 1.125 1116 E HN 0.716 nan 8.360 nan 0.000 0.359 1117 K N -0.664 119.765 120.400 0.049 0.000 2.426 1117 K HA 0.002 4.321 4.320 -0.001 0.000 0.193 1117 K C 0.572 177.227 176.600 0.092 0.000 1.028 1117 K CA 0.440 56.758 56.287 0.053 0.000 1.047 1117 K CB 0.473 32.983 32.500 0.018 0.000 0.821 1117 K HN -0.009 nan 8.250 nan 0.000 0.513 1118 D N 0.555 121.025 120.400 0.116 0.000 2.347 1118 D HA 0.027 4.667 4.640 -0.001 0.000 0.213 1118 D C 1.540 177.995 176.300 0.258 0.000 0.985 1118 D CA 0.732 54.827 54.000 0.158 0.000 0.879 1118 D CB 0.274 41.182 40.800 0.181 0.000 0.919 1118 D HN 0.226 nan 8.370 nan 0.000 0.526 1119 M N -0.304 119.430 119.600 0.224 0.000 2.691 1119 M HA 0.248 4.727 4.480 -0.001 0.000 0.261 1119 M C 2.135 178.544 176.300 0.183 0.000 1.227 1119 M CA 0.328 55.768 55.300 0.233 0.000 1.197 1119 M CB -0.655 32.034 32.600 0.149 0.000 1.294 1119 M HN -0.053 nan 8.290 nan 0.000 0.508 1120 A N 0.844 123.756 122.820 0.152 0.000 1.877 1120 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 1120 A C 2.155 179.857 177.584 0.197 0.000 1.186 1120 A CA 1.476 53.608 52.037 0.158 0.000 0.620 1120 A CB -0.959 18.147 19.000 0.176 0.000 0.822 1120 A HN 0.378 nan 8.150 nan 0.000 0.443 1121 L N -0.182 121.153 121.223 0.188 0.000 2.017 1121 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 1121 L C 2.444 179.452 176.870 0.230 0.000 1.073 1121 L CA 2.853 57.826 54.840 0.222 0.000 0.745 1121 L CB -1.147 41.023 42.059 0.184 0.000 0.894 1121 L HN 0.373 nan 8.230 nan 0.000 0.432 1122 T N -0.087 114.605 114.554 0.229 0.000 2.788 1122 T HA -0.145 4.205 4.350 -0.001 0.000 0.268 1122 T C 1.860 176.656 174.700 0.161 0.000 1.044 1122 T CA 1.299 63.554 62.100 0.259 0.000 1.139 1122 T CB -0.495 68.564 68.868 0.319 0.000 0.867 1122 T HN 0.522 nan 8.240 nan 0.000 0.454 1123 A N 0.480 123.400 122.820 0.167 0.000 1.968 1123 A HA 0.097 4.417 4.320 -0.001 0.000 0.217 1123 A C 1.962 179.600 177.584 0.089 0.000 1.169 1123 A CA 0.847 52.949 52.037 0.108 0.000 0.638 1123 A CB -0.773 18.280 19.000 0.088 0.000 0.812 1123 A HN 0.486 nan 8.150 nan 0.000 0.446 1124 F N 0.608 120.561 119.950 0.005 0.000 2.084 1124 F HA -0.121 4.406 4.527 -0.001 0.000 0.296 1124 F C 2.213 177.978 175.800 -0.058 0.000 1.111 1124 F CA 1.980 59.995 58.000 0.026 0.000 1.224 1124 F CB -0.158 38.913 39.000 0.117 0.000 0.991 1124 F HN 0.020 nan 8.300 nan 0.000 0.471 1125 V N 0.490 120.404 119.914 0.001 0.000 2.407 1125 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 1125 V C 2.294 178.148 176.094 -0.400 0.000 1.055 1125 V CA 1.570 63.680 62.300 -0.316 0.000 1.049 1125 V CB -0.822 30.562 31.823 -0.731 0.000 0.662 1125 V HN 0.409 nan 8.190 nan 0.000 0.455 1126 L N 0.074 121.121 121.223 -0.293 0.000 2.046 1126 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 1126 L C 2.167 178.941 176.870 -0.159 0.000 1.077 1126 L CA 1.857 56.592 54.840 -0.176 0.000 0.747 1126 L CB -0.509 41.519 42.059 -0.052 0.000 0.896 1126 L HN 0.227 nan 8.230 nan 0.000 0.432 1127 I N -1.229 119.244 120.570 -0.161 0.000 2.226 1127 I HA -0.290 3.880 4.170 -0.001 0.000 0.245 1127 I C 2.264 178.290 176.117 -0.151 0.000 1.100 1127 I CA 1.372 62.591 61.300 -0.136 0.000 1.374 1127 I CB -0.449 37.545 38.000 -0.009 0.000 1.057 1127 I HN 0.198 nan 8.210 nan 0.000 0.413 1128 S N 0.757 116.316 115.700 -0.236 0.000 2.423 1128 S HA -0.020 4.450 4.470 -0.001 0.000 0.231 1128 S C 1.940 176.456 174.600 -0.140 0.000 1.014 1128 S CA 0.992 59.064 58.200 -0.214 0.000 0.965 1128 S CB -0.175 62.849 63.200 -0.293 0.000 0.785 1128 S HN 0.362 nan 8.310 nan 0.000 0.495 1129 L N 0.956 122.096 121.223 -0.138 0.000 2.240 1129 L HA -0.017 4.322 4.340 -0.001 0.000 0.211 1129 L C 2.479 179.313 176.870 -0.061 0.000 1.106 1129 L CA 0.857 55.647 54.840 -0.084 0.000 0.793 1129 L CB -0.389 41.628 42.059 -0.070 0.000 0.927 1129 L HN 0.333 nan 8.230 nan 0.000 0.446 1130 Q N -0.192 119.560 119.800 -0.080 0.000 2.269 1130 Q HA -0.106 4.234 4.340 -0.001 0.000 0.201 1130 Q C 1.629 177.595 176.000 -0.056 0.000 0.946 1130 Q CA 0.752 56.511 55.803 -0.074 0.000 0.877 1130 Q CB 0.149 28.818 28.738 -0.114 0.000 0.963 1130 Q HN 0.527 nan 8.270 nan 0.000 0.472 1131 E N 0.524 120.693 120.200 -0.051 0.000 2.427 1131 E HA -0.007 4.342 4.350 -0.001 0.000 0.196 1131 E C 0.813 177.405 176.600 -0.014 0.000 1.028 1131 E CA 0.509 56.896 56.400 -0.022 0.000 0.864 1131 E CB 0.262 29.958 29.700 -0.006 0.000 0.813 1131 E HN 0.202 nan 8.360 nan 0.000 0.514 1132 A N 0.896 123.703 122.820 -0.022 0.000 2.545 1132 A HA 0.118 4.438 4.320 -0.001 0.000 0.277 1132 A C 1.496 179.078 177.584 -0.005 0.000 1.301 1132 A CA -0.294 51.738 52.037 -0.007 0.000 0.935 1132 A CB 0.033 19.027 19.000 -0.010 0.000 1.093 1132 A HN -0.023 nan 8.150 nan 0.000 0.519 1133 K N 0.503 120.896 120.400 -0.011 0.000 1.967 1133 K HA -0.164 4.156 4.320 -0.001 0.000 0.212 1133 K C 0.951 177.550 176.600 -0.001 0.000 1.044 1133 K CA 1.854 58.136 56.287 -0.009 0.000 0.942 1133 K CB -0.141 32.348 32.500 -0.017 0.000 0.726 1133 K HN 0.301 nan 8.250 nan 0.000 0.440 1134 D N 0.770 121.169 120.400 -0.001 0.000 2.190 1134 D HA -0.176 4.464 4.640 -0.001 0.000 0.200 1134 D C 1.819 178.123 176.300 0.007 0.000 0.992 1134 D CA 1.198 55.199 54.000 0.002 0.000 0.854 1134 D CB -0.142 40.660 40.800 0.003 0.000 0.936 1134 D HN 0.365 nan 8.370 nan 0.000 0.462 1135 I N -0.475 120.101 120.570 0.010 0.000 2.500 1135 I HA -0.116 4.053 4.170 -0.001 0.000 0.252 1135 I C 0.702 176.830 176.117 0.018 0.000 1.142 1135 I CA 0.543 61.852 61.300 0.016 0.000 1.451 1135 I CB 0.165 38.178 38.000 0.022 0.000 1.093 1135 I HN -0.045 nan 8.210 nan 0.000 0.430 1136 c N 1.149 119.758 118.600 0.015 0.000 3.276 1136 c HA 0.291 4.861 4.570 -0.001 0.000 0.226 1136 c C 1.376 175.475 174.090 0.014 0.000 1.502 1136 c CA -0.591 55.749 56.329 0.018 0.000 1.488 1136 c CB -0.836 41.687 42.510 0.022 0.000 2.014 1136 c HN 0.387 nan 8.230 nan 0.000 0.492 1137 E N 0.365 120.572 120.200 0.011 0.000 2.290 1137 E HA -0.052 4.298 4.350 -0.001 0.000 0.199 1137 E C 1.729 178.334 176.600 0.010 0.000 0.912 1137 E CA 0.382 56.787 56.400 0.009 0.000 0.924 1137 E CB 0.444 30.147 29.700 0.005 0.000 0.901 1137 E HN 0.490 nan 8.360 nan 0.000 0.487 1138 E N 1.084 121.290 120.200 0.010 0.000 2.318 1138 E HA -0.054 4.295 4.350 -0.001 0.000 0.193 1138 E C 1.624 178.233 176.600 0.013 0.000 0.998 1138 E CA 0.935 57.341 56.400 0.010 0.000 0.859 1138 E CB 0.295 30.001 29.700 0.009 0.000 0.812 1138 E HN 0.137 nan 8.360 nan 0.000 0.492 1139 Q N -0.854 118.956 119.800 0.017 0.000 2.376 1139 Q HA 0.174 4.514 4.340 -0.001 0.000 0.206 1139 Q C -0.413 175.600 176.000 0.023 0.000 0.921 1139 Q CA 0.324 56.139 55.803 0.021 0.000 0.911 1139 Q CB 1.467 30.220 28.738 0.025 0.000 1.032 1139 Q HN 0.014 nan 8.270 nan 0.000 0.510 1140 V N 1.554 121.481 119.914 0.022 0.000 2.409 1140 V HA 0.151 4.270 4.120 -0.001 0.000 0.290 1140 V C -0.097 176.007 176.094 0.018 0.000 1.017 1140 V CA -0.465 61.849 62.300 0.024 0.000 0.841 1140 V CB 1.445 33.286 31.823 0.030 0.000 1.003 1140 V HN 0.253 nan 8.190 nan 0.000 0.426 1141 N N 1.932 120.641 118.700 0.015 0.000 2.392 1141 N HA -0.075 4.664 4.740 -0.001 0.000 0.177 1141 N C 1.577 177.092 175.510 0.008 0.000 1.066 1141 N CA 0.743 53.799 53.050 0.010 0.000 0.895 1141 N CB 0.319 38.810 38.487 0.008 0.000 0.988 1141 N HN 0.704 nan 8.380 nan 0.000 0.457 1142 S N 0.254 115.961 115.700 0.011 0.000 2.631 1142 S HA 0.079 4.548 4.470 -0.001 0.000 0.217 1142 S C 1.545 176.154 174.600 0.014 0.000 0.958 1142 S CA -0.170 58.035 58.200 0.008 0.000 0.920 1142 S CB -0.003 63.200 63.200 0.004 0.000 0.776 1142 S HN 0.140 nan 8.310 nan 0.000 0.517 1143 L N 2.508 123.742 121.223 0.018 0.000 2.023 1143 L HA 0.251 4.590 4.340 -0.001 0.000 0.205 1143 L C -1.160 175.720 176.870 0.017 0.000 1.073 1143 L CA 1.420 56.273 54.840 0.023 0.000 0.745 1143 L CB -1.280 40.790 42.059 0.019 0.000 0.900 1143 L HN 0.093 nan 8.230 nan 0.000 0.435 1144 P HA -0.118 nan 4.420 nan 0.000 0.216 1144 P C 1.598 178.900 177.300 0.004 0.000 1.153 1144 P CA 1.903 65.005 63.100 0.003 0.000 0.858 1144 P CB -0.406 31.294 31.700 -0.000 0.000 0.789 1145 G N -0.939 107.862 108.800 0.003 0.000 2.408 1145 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.217 1145 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.217 1145 G C 1.864 176.765 174.900 0.002 0.000 1.150 1145 G CA 1.044 46.143 45.100 -0.001 0.000 0.776 1145 G HN 0.319 nan 8.290 nan 0.000 0.542 1146 S N 0.013 115.720 115.700 0.012 0.000 2.387 1146 S HA 0.009 4.478 4.470 -0.001 0.000 0.226 1146 S C 2.406 177.044 174.600 0.062 0.000 1.026 1146 S CA 0.700 58.918 58.200 0.030 0.000 0.972 1146 S CB -0.258 62.978 63.200 0.060 0.000 0.814 1146 S HN 0.360 nan 8.310 nan 0.000 0.477 1147 I N 1.197 121.797 120.570 0.049 0.000 2.208 1147 I HA -0.183 3.987 4.170 -0.001 0.000 0.245 1147 I C 2.520 178.657 176.117 0.032 0.000 1.097 1147 I CA 1.572 62.896 61.300 0.041 0.000 1.363 1147 I CB -0.825 37.181 38.000 0.010 0.000 1.051 1147 I HN 0.343 nan 8.210 nan 0.000 0.413 1148 T N 0.473 115.038 114.554 0.019 0.000 2.777 1148 T HA -0.123 4.227 4.350 -0.001 0.000 0.266 1148 T C 1.985 176.702 174.700 0.028 0.000 1.040 1148 T CA 0.913 63.021 62.100 0.013 0.000 1.141 1148 T CB -0.072 68.798 68.868 0.003 0.000 0.868 1148 T HN 0.142 nan 8.240 nan 0.000 0.444 1149 K N 1.639 122.055 120.400 0.026 0.000 2.009 1149 K HA 0.040 4.359 4.320 -0.001 0.000 0.210 1149 K C 2.612 179.254 176.600 0.070 0.000 1.049 1149 K CA 1.493 57.797 56.287 0.027 0.000 0.929 1149 K CB -0.936 31.555 32.500 -0.015 0.000 0.714 1149 K HN 0.364 nan 8.250 nan 0.000 0.440 1150 A N 0.701 123.580 122.820 0.098 0.000 1.978 1150 A HA -0.091 4.229 4.320 -0.001 0.000 0.220 1150 A C 2.407 180.093 177.584 0.170 0.000 1.170 1150 A CA 2.101 54.246 52.037 0.180 0.000 0.636 1150 A CB -0.890 18.285 19.000 0.291 0.000 0.810 1150 A HN 0.418 nan 8.150 nan 0.000 0.448 1151 G N -0.577 108.283 108.800 0.100 0.000 2.464 1151 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.217 1151 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.217 1151 G C 1.026 175.963 174.900 0.062 0.000 1.138 1151 G CA 1.035 46.171 45.100 0.059 0.000 0.793 1151 G HN 0.452 nan 8.290 nan 0.000 0.539 1152 D N 0.192 120.640 120.400 0.080 0.000 2.097 1152 D HA -0.091 4.549 4.640 -0.001 0.000 0.197 1152 D C 1.883 178.247 176.300 0.108 0.000 0.984 1152 D CA 0.428 54.471 54.000 0.071 0.000 0.826 1152 D CB -0.386 40.455 40.800 0.068 0.000 0.973 1152 D HN 0.292 nan 8.370 nan 0.000 0.460 1153 F N 1.232 121.195 119.950 0.023 0.000 2.113 1153 F HA -0.070 4.456 4.527 -0.001 0.000 0.297 1153 F C 2.043 177.877 175.800 0.057 0.000 1.103 1153 F CA 1.100 59.120 58.000 0.034 0.000 1.248 1153 F CB -0.191 38.830 39.000 0.035 0.000 0.999 1153 F HN -0.123 nan 8.300 nan 0.000 0.475 1154 L N -0.026 121.277 121.223 0.133 0.000 2.141 1154 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 1154 L C 2.458 179.349 176.870 0.035 0.000 1.094 1154 L CA 1.738 56.623 54.840 0.075 0.000 0.763 1154 L CB -0.856 41.303 42.059 0.167 0.000 0.908 1154 L HN 0.258 nan 8.230 nan 0.000 0.437 1155 E N 0.617 120.817 120.200 -0.000 0.000 2.106 1155 E HA -0.202 4.148 4.350 -0.001 0.000 0.192 1155 E C 2.215 178.802 176.600 -0.022 0.000 0.984 1155 E CA 1.081 57.462 56.400 -0.031 0.000 0.806 1155 E CB 0.081 29.750 29.700 -0.052 0.000 0.750 1155 E HN 0.445 nan 8.360 nan 0.000 0.458 1156 A N 0.917 123.695 122.820 -0.071 0.000 1.968 1156 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 1156 A C 1.341 178.856 177.584 -0.116 0.000 1.169 1156 A CA 0.977 52.962 52.037 -0.088 0.000 0.638 1156 A CB -0.047 18.891 19.000 -0.104 0.000 0.812 1156 A HN 0.184 nan 8.150 nan 0.000 0.446 1157 N N -1.436 117.139 118.700 -0.208 0.000 2.380 1157 N HA 0.177 4.917 4.740 -0.001 0.000 0.255 1157 N C 0.171 175.638 175.510 -0.072 0.000 1.158 1157 N CA -0.091 52.836 53.050 -0.205 0.000 0.878 1157 N CB 0.066 38.292 38.487 -0.436 0.000 1.138 1157 N HN 0.601 nan 8.380 nan 0.000 0.509 1158 Y N 0.621 120.858 120.300 -0.105 0.000 2.436 1158 Y HA 0.168 4.717 4.550 -0.001 0.000 0.288 1158 Y C 1.765 177.654 175.900 -0.019 0.000 1.112 1158 Y CA 0.818 58.889 58.100 -0.047 0.000 1.220 1158 Y CB 0.378 38.818 38.460 -0.034 0.000 1.073 1158 Y HN -0.038 nan 8.280 nan 0.000 0.552 1159 M N 0.009 119.666 119.600 0.095 0.000 2.619 1159 M HA -0.029 4.451 4.480 -0.001 0.000 0.251 1159 M C -0.113 176.172 176.300 -0.025 0.000 1.106 1159 M CA 1.018 56.344 55.300 0.044 0.000 1.086 1159 M CB -1.093 31.542 32.600 0.058 0.000 1.465 1159 M HN 0.342 nan 8.290 nan 0.000 0.506 1160 N N 0.892 119.561 118.700 -0.053 0.000 2.671 1160 N HA 0.360 5.099 4.740 -0.001 0.000 0.303 1160 N C -0.901 174.565 175.510 -0.074 0.000 1.351 1160 N CA -0.123 52.894 53.050 -0.055 0.000 0.991 1160 N CB 0.658 39.115 38.487 -0.050 0.000 1.307 1160 N HN 0.182 nan 8.380 nan 0.000 0.512 1161 L N 0.201 121.363 121.223 -0.102 0.000 2.362 1161 L HA 0.391 4.731 4.340 -0.001 0.000 0.271 1161 L C 0.591 177.420 176.870 -0.069 0.000 1.002 1161 L CA -0.666 54.111 54.840 -0.105 0.000 0.818 1161 L CB 2.262 44.202 42.059 -0.199 0.000 1.298 1161 L HN 0.082 nan 8.230 nan 0.000 0.420 1162 Q N 0.779 120.556 119.800 -0.039 0.000 2.580 1162 Q HA 0.234 4.574 4.340 -0.001 0.000 0.239 1162 Q C 0.189 176.189 176.000 -0.001 0.000 0.873 1162 Q CA 0.298 56.089 55.803 -0.020 0.000 0.951 1162 Q CB 0.599 29.329 28.738 -0.014 0.000 1.172 1162 Q HN 0.518 nan 8.270 nan 0.000 0.616 1163 R N 1.153 121.663 120.500 0.016 0.000 2.484 1163 R HA 0.122 4.462 4.340 -0.001 0.000 0.293 1163 R C 1.229 177.583 176.300 0.089 0.000 1.023 1163 R CA 0.026 56.160 56.100 0.057 0.000 1.037 1163 R CB 0.451 30.796 30.300 0.076 0.000 0.951 1163 R HN 0.056 nan 8.270 nan 0.000 0.418 1164 S N 2.111 117.885 115.700 0.124 0.000 2.423 1164 S HA -0.186 4.284 4.470 -0.001 0.000 0.231 1164 S C 1.427 176.174 174.600 0.246 0.000 1.014 1164 S CA 0.915 59.234 58.200 0.198 0.000 0.965 1164 S CB -0.214 63.098 63.200 0.187 0.000 0.785 1164 S HN 0.661 nan 8.310 nan 0.000 0.495 1165 Y N 2.651 123.010 120.300 0.098 0.000 2.163 1165 Y HA -0.170 4.380 4.550 -0.001 0.000 0.288 1165 Y C 2.515 178.432 175.900 0.029 0.000 1.136 1165 Y CA 1.749 59.893 58.100 0.073 0.000 1.147 1165 Y CB -0.800 37.684 38.460 0.040 0.000 0.987 1165 Y HN 0.159 nan 8.280 nan 0.000 0.509 1166 T N -0.336 114.292 114.554 0.124 0.000 2.746 1166 T HA -0.165 4.184 4.350 -0.001 0.000 0.267 1166 T C 2.012 176.678 174.700 -0.056 0.000 1.039 1166 T CA 1.641 63.752 62.100 0.018 0.000 1.142 1166 T CB -0.690 68.207 68.868 0.048 0.000 0.866 1166 T HN 0.206 nan 8.240 nan 0.000 0.444 1167 V N 1.584 121.479 119.914 -0.033 0.000 2.407 1167 V HA -0.136 3.983 4.120 -0.001 0.000 0.248 1167 V C 2.825 179.025 176.094 0.177 0.000 1.055 1167 V CA 1.616 63.896 62.300 -0.034 0.000 1.049 1167 V CB -1.153 30.692 31.823 0.038 0.000 0.662 1167 V HN 0.526 nan 8.190 nan 0.000 0.455 1168 A N -0.179 122.682 122.820 0.069 0.000 1.854 1168 A HA -0.121 4.199 4.320 -0.001 0.000 0.214 1168 A C 2.240 179.816 177.584 -0.014 0.000 1.192 1168 A CA 1.736 53.796 52.037 0.038 0.000 0.611 1168 A CB -0.520 18.353 19.000 -0.211 0.000 0.832 1168 A HN 0.461 nan 8.150 nan 0.000 0.442 1169 I N -0.681 119.729 120.570 -0.267 0.000 2.454 1169 I HA -0.195 3.975 4.170 -0.001 0.000 0.254 1169 I C 2.358 178.425 176.117 -0.083 0.000 1.156 1169 I CA 1.224 62.289 61.300 -0.392 0.000 1.433 1169 I CB -0.028 37.540 38.000 -0.721 0.000 1.082 1169 I HN 0.324 nan 8.210 nan 0.000 0.432 1170 A N 0.026 122.860 122.820 0.023 0.000 2.030 1170 A HA 0.118 4.437 4.320 -0.001 0.000 0.215 1170 A C 2.264 179.956 177.584 0.181 0.000 1.164 1170 A CA 0.899 53.023 52.037 0.145 0.000 0.697 1170 A CB -0.968 18.167 19.000 0.225 0.000 0.827 1170 A HN 0.465 nan 8.150 nan 0.000 0.457 1171 G N -1.420 107.493 108.800 0.188 0.000 2.408 1171 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.217 1171 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.217 1171 G C 1.490 176.266 174.900 -0.206 0.000 1.150 1171 G CA 1.255 46.295 45.100 -0.100 0.000 0.776 1171 G HN 0.552 nan 8.290 nan 0.000 0.542 1172 Y N 1.947 122.135 120.300 -0.186 0.000 2.373 1172 Y HA 0.270 4.820 4.550 -0.001 0.000 0.293 1172 Y C 2.668 178.520 175.900 -0.081 0.000 1.129 1172 Y CA 0.578 58.601 58.100 -0.128 0.000 1.226 1172 Y CB -0.163 38.303 38.460 0.011 0.000 1.000 1172 Y HN 0.220 nan 8.280 nan 0.000 0.549 1173 A N -0.373 122.360 122.820 -0.145 0.000 2.066 1173 A HA 0.012 4.332 4.320 -0.001 0.000 0.218 1173 A C 1.989 179.454 177.584 -0.198 0.000 1.157 1173 A CA 1.345 53.263 52.037 -0.198 0.000 0.670 1173 A CB -0.659 18.308 19.000 -0.055 0.000 0.804 1173 A HN 0.517 nan 8.150 nan 0.000 0.453 1174 L N -1.828 119.279 121.223 -0.194 0.000 2.515 1174 L HA 0.142 4.482 4.340 -0.001 0.000 0.223 1174 L C 2.757 179.491 176.870 -0.227 0.000 1.079 1174 L CA 0.656 55.376 54.840 -0.200 0.000 0.857 1174 L CB -0.217 41.698 42.059 -0.240 0.000 1.050 1174 L HN 0.337 nan 8.230 nan 0.000 0.476 1175 A N -0.047 122.616 122.820 -0.262 0.000 1.969 1175 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 1175 A C 2.165 179.624 177.584 -0.209 0.000 1.169 1175 A CA 1.168 53.065 52.037 -0.232 0.000 0.635 1175 A CB -0.278 18.593 19.000 -0.215 0.000 0.810 1175 A HN 0.428 nan 8.150 nan 0.000 0.445 1176 Q N -0.868 118.760 119.800 -0.287 0.000 2.170 1176 Q HA -0.086 4.253 4.340 -0.001 0.000 0.203 1176 Q C 1.931 177.835 176.000 -0.159 0.000 0.976 1176 Q CA 1.665 57.318 55.803 -0.250 0.000 0.858 1176 Q CB -0.255 28.272 28.738 -0.352 0.000 0.907 1176 Q HN 0.753 nan 8.270 nan 0.000 0.433 1177 M N -1.620 117.889 119.600 -0.151 0.000 2.514 1177 M HA 0.147 4.627 4.480 -0.001 0.000 0.258 1177 M C 1.025 177.267 176.300 -0.096 0.000 1.119 1177 M CA 0.806 56.042 55.300 -0.107 0.000 1.111 1177 M CB 0.617 33.160 32.600 -0.096 0.000 1.390 1177 M HN 0.338 nan 8.290 nan 0.000 0.475 1178 G N 1.834 110.566 108.800 -0.114 0.000 2.132 1178 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.228 1178 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.228 1178 G C 0.271 175.107 174.900 -0.106 0.000 1.000 1178 G CA -0.180 44.859 45.100 -0.101 0.000 0.693 1178 G HN 0.510 nan 8.290 nan 0.000 0.515 1179 R N -0.758 119.666 120.500 -0.127 0.000 2.893 1179 R HA 0.416 4.756 4.340 -0.001 0.000 0.317 1179 R C 0.175 176.365 176.300 -0.183 0.000 1.239 1179 R CA -0.357 55.665 56.100 -0.129 0.000 1.128 1179 R CB 0.345 30.578 30.300 -0.111 0.000 1.377 1179 R HN 0.224 nan 8.270 nan 0.000 0.583 1180 L N 1.166 122.271 121.223 -0.196 0.000 2.679 1180 L HA 0.337 4.676 4.340 -0.001 0.000 0.238 1180 L C -0.753 176.010 176.870 -0.178 0.000 1.330 1180 L CA -0.098 54.588 54.840 -0.256 0.000 0.935 1180 L CB 0.059 41.928 42.059 -0.316 0.000 1.243 1180 L HN -0.025 nan 8.230 nan 0.000 0.484 1181 K N -0.010 120.307 120.400 -0.138 0.000 2.246 1181 K HA 0.893 5.213 4.320 -0.001 0.000 0.239 1181 K C 0.571 177.132 176.600 -0.066 0.000 1.089 1181 K CA -0.681 55.555 56.287 -0.086 0.000 0.892 1181 K CB 0.785 33.245 32.500 -0.067 0.000 1.334 1181 K HN 0.280 nan 8.250 nan 0.000 0.507 1182 G N 1.095 109.873 108.800 -0.038 0.000 2.582 1182 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.288 1182 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.288 1182 G C -1.474 173.423 174.900 -0.006 0.000 1.247 1182 G CA 0.269 45.356 45.100 -0.021 0.000 0.972 1182 G HN 0.506 nan 8.290 nan 0.000 0.557 1183 P HA -0.056 nan 4.420 nan 0.000 0.216 1183 P C 2.230 179.570 177.300 0.066 0.000 1.150 1183 P CA 1.826 64.946 63.100 0.033 0.000 0.837 1183 P CB -0.078 31.642 31.700 0.033 0.000 0.786 1184 L N -1.075 120.168 121.223 0.033 0.000 2.083 1184 L HA -0.139 4.201 4.340 -0.001 0.000 0.209 1184 L C 2.662 179.557 176.870 0.042 0.000 1.083 1184 L CA 1.372 56.225 54.840 0.021 0.000 0.752 1184 L CB -1.843 40.062 42.059 -0.256 0.000 0.899 1184 L HN -0.043 nan 8.230 nan 0.000 0.433 1185 L N -0.335 120.885 121.223 -0.006 0.000 2.093 1185 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 1185 L C 2.260 179.198 176.870 0.113 0.000 1.085 1185 L CA 1.536 56.393 54.840 0.028 0.000 0.755 1185 L CB -0.816 41.231 42.059 -0.021 0.000 0.904 1185 L HN 0.337 nan 8.230 nan 0.000 0.435 1186 N N 0.040 118.789 118.700 0.083 0.000 2.142 1186 N HA -0.242 4.498 4.740 -0.001 0.000 0.186 1186 N C 1.933 177.505 175.510 0.104 0.000 1.023 1186 N CA 1.687 54.778 53.050 0.068 0.000 0.852 1186 N CB -0.150 38.361 38.487 0.040 0.000 0.998 1186 N HN 0.435 nan 8.380 nan 0.000 0.424 1187 K N -0.774 119.726 120.400 0.166 0.000 2.026 1187 K HA -0.170 4.150 4.320 -0.001 0.000 0.208 1187 K C 2.053 178.799 176.600 0.243 0.000 1.048 1187 K CA 1.240 57.637 56.287 0.183 0.000 0.929 1187 K CB -0.479 32.161 32.500 0.233 0.000 0.713 1187 K HN 0.215 nan 8.250 nan 0.000 0.439 1188 F N 1.727 121.821 119.950 0.239 0.000 2.161 1188 F HA -0.187 4.339 4.527 -0.001 0.000 0.300 1188 F C 1.598 177.595 175.800 0.328 0.000 1.089 1188 F CA 1.420 59.606 58.000 0.310 0.000 1.282 1188 F CB -0.056 39.103 39.000 0.264 0.000 1.010 1188 F HN -0.002 nan 8.300 nan 0.000 0.485 1189 L N -0.337 120.957 121.223 0.118 0.000 2.072 1189 L HA -0.138 4.201 4.340 -0.001 0.000 0.205 1189 L C 2.531 179.274 176.870 -0.213 0.000 1.079 1189 L CA 1.622 56.368 54.840 -0.157 0.000 0.752 1189 L CB -1.250 40.676 42.059 -0.222 0.000 0.906 1189 L HN 0.273 nan 8.230 nan 0.000 0.436 1190 T N -5.087 109.402 114.554 -0.108 0.000 3.055 1190 T HA -0.084 4.266 4.350 -0.001 0.000 0.265 1190 T C 1.701 176.299 174.700 -0.171 0.000 1.111 1190 T CA 1.142 63.172 62.100 -0.116 0.000 1.118 1190 T CB -0.392 68.444 68.868 -0.053 0.000 0.909 1190 T HN 0.142 nan 8.240 nan 0.000 0.501 1191 T N 2.330 116.778 114.554 -0.178 0.000 2.821 1191 T HA 0.263 4.613 4.350 -0.001 0.000 0.267 1191 T C 1.204 175.574 174.700 -0.550 0.000 1.046 1191 T CA 0.780 62.747 62.100 -0.222 0.000 1.139 1191 T CB -0.629 68.232 68.868 -0.012 0.000 0.871 1191 T HN 0.726 nan 8.240 nan 0.000 0.454 1192 A N 2.028 124.245 122.820 -1.006 0.000 2.520 1192 A HA 0.259 4.579 4.320 -0.001 0.000 0.245 1192 A C 0.336 177.513 177.584 -0.678 0.000 1.072 1192 A CA -0.039 51.158 52.037 -1.400 0.000 0.761 1192 A CB -0.056 17.824 19.000 -1.866 0.000 1.004 1192 A HN 0.363 nan 8.150 nan 0.000 0.499 1193 K N 2.102 122.161 120.400 -0.569 0.000 2.258 1193 K HA 0.267 4.586 4.320 -0.001 0.000 0.284 1193 K C -0.551 175.856 176.600 -0.321 0.000 1.051 1193 K CA -0.138 55.941 56.287 -0.346 0.000 0.923 1193 K CB 0.299 32.641 32.500 -0.263 0.000 1.046 1193 K HN 0.737 nan 8.250 nan 0.000 0.474 1194 D N 3.107 123.377 120.400 -0.218 0.000 3.077 1194 D HA -0.200 4.440 4.640 -0.001 0.000 0.217 1194 D C -0.885 175.290 176.300 -0.208 0.000 1.162 1194 D CA 1.227 55.123 54.000 -0.174 0.000 0.943 1194 D CB -0.786 39.925 40.800 -0.149 0.000 1.122 1194 D HN 0.867 nan 8.370 nan 0.000 0.413 1195 K N -1.103 119.147 120.400 -0.251 0.000 3.257 1195 K HA -0.283 4.037 4.320 -0.001 0.000 0.270 1195 K C 0.460 176.803 176.600 -0.427 0.000 0.984 1195 K CA 1.276 57.431 56.287 -0.221 0.000 0.739 1195 K CB -2.279 30.187 32.500 -0.056 0.000 1.351 1195 K HN 0.839 nan 8.250 nan 0.000 0.463 1196 N N -1.013 117.419 118.700 -0.447 0.000 1.872 1196 N HA -0.025 4.714 4.740 -0.001 0.000 0.223 1196 N C -0.526 174.658 175.510 -0.542 0.000 1.424 1196 N CA -0.698 52.132 53.050 -0.368 0.000 0.710 1196 N CB 0.627 38.974 38.487 -0.233 0.000 1.074 1196 N HN 0.347 nan 8.380 nan 0.000 0.544 1197 R N -0.509 119.559 120.500 -0.720 0.000 2.633 1197 R HA 0.211 4.550 4.340 -0.001 0.000 0.255 1197 R C -2.020 173.933 176.300 -0.579 0.000 1.106 1197 R CA -0.812 54.772 56.100 -0.861 0.000 0.959 1197 R CB 0.615 29.864 30.300 -1.750 0.000 1.259 1197 R HN 0.043 nan 8.270 nan 0.000 0.453 1198 W N 3.865 124.940 121.300 -0.374 0.000 2.296 1198 W HA 0.218 4.878 4.660 -0.001 0.000 0.333 1198 W C -0.325 176.125 176.519 -0.115 0.000 0.931 1198 W CA -0.261 56.965 57.345 -0.198 0.000 1.538 1198 W CB 1.238 30.625 29.460 -0.121 0.000 1.417 1198 W HN 0.714 nan 8.180 nan 0.000 0.380 1199 E N 1.042 121.232 120.200 -0.018 0.000 2.222 1199 E HA 0.534 4.883 4.350 -0.001 0.000 0.267 1199 E C -0.894 175.743 176.600 0.061 0.000 0.963 1199 E CA -0.744 55.682 56.400 0.043 0.000 0.837 1199 E CB 2.140 31.839 29.700 -0.002 0.000 1.183 1199 E HN -0.046 nan 8.360 nan 0.000 0.403 1200 D N 1.363 121.820 120.400 0.094 0.000 2.819 1200 D HA 0.241 4.881 4.640 -0.001 0.000 0.232 1200 D C -2.455 173.886 176.300 0.068 0.000 1.160 1200 D CA -1.756 52.289 54.000 0.074 0.000 0.858 1200 D CB 1.811 42.666 40.800 0.092 0.000 1.610 1200 D HN 0.310 nan 8.370 nan 0.000 0.481 1201 P HA 0.188 nan 4.420 nan 0.000 0.250 1201 P C 0.065 177.396 177.300 0.051 0.000 1.198 1201 P CA 0.398 63.521 63.100 0.039 0.000 1.118 1201 P CB 0.207 31.920 31.700 0.023 0.000 1.208 1202 G N 2.668 111.509 108.800 0.068 0.000 2.498 1202 G HA2 0.096 4.056 3.960 -0.001 0.000 0.181 1202 G HA3 0.096 4.056 3.960 -0.001 0.000 0.181 1202 G C -1.198 173.751 174.900 0.082 0.000 1.169 1202 G CA -0.760 44.393 45.100 0.088 0.000 0.992 1202 G HN 0.270 nan 8.290 nan 0.000 0.490 1203 K N 0.499 120.961 120.400 0.104 0.000 2.276 1203 K HA 0.242 4.561 4.320 -0.001 0.000 0.259 1203 K C 1.068 177.637 176.600 -0.052 0.000 1.001 1203 K CA -0.047 56.211 56.287 -0.048 0.000 0.927 1203 K CB 1.079 33.395 32.500 -0.306 0.000 0.969 1203 K HN 0.511 nan 8.250 nan 0.000 0.490 1204 Q N 0.836 120.580 119.800 -0.094 0.000 2.269 1204 Q HA -0.010 4.329 4.340 -0.001 0.000 0.201 1204 Q C 1.814 177.746 176.000 -0.113 0.000 0.946 1204 Q CA 0.714 56.489 55.803 -0.047 0.000 0.877 1204 Q CB 0.083 28.793 28.738 -0.046 0.000 0.963 1204 Q HN 0.540 nan 8.270 nan 0.000 0.472 1205 L N -0.343 120.719 121.223 -0.268 0.000 2.141 1205 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 1205 L C 1.741 178.526 176.870 -0.141 0.000 1.094 1205 L CA 0.998 55.650 54.840 -0.313 0.000 0.763 1205 L CB -0.355 41.479 42.059 -0.374 0.000 0.908 1205 L HN 0.258 nan 8.230 nan 0.000 0.437 1206 Y N -0.196 120.106 120.300 0.004 0.000 2.314 1206 Y HA -0.100 4.450 4.550 -0.001 0.000 0.293 1206 Y C 2.448 178.448 175.900 0.166 0.000 1.129 1206 Y CA 0.377 58.490 58.100 0.022 0.000 1.201 1206 Y CB -0.772 37.617 38.460 -0.119 0.000 0.999 1206 Y HN 0.240 nan 8.280 nan 0.000 0.541 1207 N N -0.191 118.673 118.700 0.273 0.000 2.171 1207 N HA -0.118 4.622 4.740 -0.001 0.000 0.184 1207 N C 2.027 177.728 175.510 0.318 0.000 1.021 1207 N CA 1.251 54.474 53.050 0.289 0.000 0.854 1207 N CB -0.758 37.881 38.487 0.254 0.000 0.994 1207 N HN 0.157 nan 8.380 nan 0.000 0.426 1208 V N 1.513 121.570 119.914 0.238 0.000 2.343 1208 V HA -0.197 3.923 4.120 -0.001 0.000 0.247 1208 V C 2.354 178.571 176.094 0.206 0.000 1.051 1208 V CA 1.654 64.069 62.300 0.193 0.000 1.036 1208 V CB -0.492 31.259 31.823 -0.120 0.000 0.654 1208 V HN 0.397 nan 8.190 nan 0.000 0.451 1209 E N 0.343 120.699 120.200 0.260 0.000 2.072 1209 E HA -0.197 4.152 4.350 -0.001 0.000 0.191 1209 E C 2.252 179.134 176.600 0.469 0.000 0.985 1209 E CA 1.259 57.892 56.400 0.388 0.000 0.801 1209 E CB -0.217 29.809 29.700 0.543 0.000 0.750 1209 E HN 0.549 nan 8.360 nan 0.000 0.452 1210 A N 0.330 123.429 122.820 0.466 0.000 1.902 1210 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 1210 A C 2.359 180.050 177.584 0.179 0.000 1.181 1210 A CA 2.021 54.240 52.037 0.305 0.000 0.623 1210 A CB -0.907 18.330 19.000 0.395 0.000 0.818 1210 A HN 0.347 nan 8.150 nan 0.000 0.443 1211 T N -0.043 114.644 114.554 0.222 0.000 2.867 1211 T HA -0.072 4.278 4.350 -0.001 0.000 0.268 1211 T C 2.202 176.944 174.700 0.070 0.000 1.057 1211 T CA 1.461 63.664 62.100 0.171 0.000 1.136 1211 T CB -0.229 68.799 68.868 0.266 0.000 0.874 1211 T HN 0.483 nan 8.240 nan 0.000 0.466 1212 S N 0.650 116.398 115.700 0.080 0.000 2.356 1212 S HA -0.069 4.401 4.470 -0.001 0.000 0.223 1212 S C 1.752 176.241 174.600 -0.184 0.000 1.032 1212 S CA 1.038 59.205 58.200 -0.055 0.000 1.005 1212 S CB -0.508 62.639 63.200 -0.088 0.000 0.867 1212 S HN 0.544 nan 8.310 nan 0.000 0.449 1213 Y N 1.739 121.957 120.300 -0.136 0.000 2.224 1213 Y HA -0.097 4.452 4.550 -0.001 0.000 0.289 1213 Y C 2.628 178.378 175.900 -0.250 0.000 1.146 1213 Y CA 0.766 58.725 58.100 -0.235 0.000 1.182 1213 Y CB -0.607 37.768 38.460 -0.140 0.000 0.983 1213 Y HN 0.277 nan 8.280 nan 0.000 0.524 1214 A N -0.403 122.340 122.820 -0.128 0.000 1.930 1214 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 1214 A C 2.133 179.645 177.584 -0.120 0.000 1.175 1214 A CA 1.474 53.347 52.037 -0.274 0.000 0.627 1214 A CB -0.947 17.259 19.000 -1.323 0.000 0.815 1214 A HN 0.413 nan 8.150 nan 0.000 0.443 1215 L N -0.093 121.062 121.223 -0.112 0.000 2.017 1215 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 1215 L C 2.258 179.099 176.870 -0.049 0.000 1.073 1215 L CA 1.673 56.501 54.840 -0.020 0.000 0.745 1215 L CB -0.583 41.471 42.059 -0.008 0.000 0.894 1215 L HN 0.399 nan 8.230 nan 0.000 0.432 1216 L N -0.675 120.430 121.223 -0.196 0.000 2.127 1216 L HA -0.200 4.139 4.340 -0.001 0.000 0.211 1216 L C 2.631 179.476 176.870 -0.042 0.000 1.089 1216 L CA 1.105 55.774 54.840 -0.285 0.000 0.757 1216 L CB -0.925 40.580 42.059 -0.923 0.000 0.899 1216 L HN 0.403 nan 8.230 nan 0.000 0.434 1217 A N 0.255 123.078 122.820 0.004 0.000 1.873 1217 A HA -0.144 4.175 4.320 -0.001 0.000 0.215 1217 A C 2.227 179.789 177.584 -0.038 0.000 1.186 1217 A CA 1.301 53.373 52.037 0.058 0.000 0.616 1217 A CB -0.632 18.226 19.000 -0.238 0.000 0.823 1217 A HN 0.356 nan 8.150 nan 0.000 0.442 1218 L N -0.608 120.621 121.223 0.011 0.000 2.083 1218 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 1218 L C 2.409 179.219 176.870 -0.099 0.000 1.083 1218 L CA 0.907 55.761 54.840 0.023 0.000 0.752 1218 L CB -0.539 41.614 42.059 0.157 0.000 0.899 1218 L HN 0.359 nan 8.230 nan 0.000 0.433 1219 L N -0.781 120.403 121.223 -0.066 0.000 2.217 1219 L HA -0.165 4.174 4.340 -0.001 0.000 0.211 1219 L C 2.544 179.368 176.870 -0.077 0.000 1.107 1219 L CA 0.621 55.395 54.840 -0.110 0.000 0.783 1219 L CB -0.332 41.740 42.059 0.022 0.000 0.919 1219 L HN 0.261 nan 8.230 nan 0.000 0.442 1220 Q N 0.492 120.287 119.800 -0.009 0.000 2.187 1220 Q HA -0.044 4.296 4.340 -0.001 0.000 0.199 1220 Q C 1.904 177.871 176.000 -0.056 0.000 0.957 1220 Q CA 1.260 57.065 55.803 0.003 0.000 0.857 1220 Q CB 0.068 28.834 28.738 0.048 0.000 0.929 1220 Q HN 0.481 nan 8.270 nan 0.000 0.453 1221 L N -0.018 121.150 121.223 -0.093 0.000 2.592 1221 L HA 0.182 4.521 4.340 -0.001 0.000 0.227 1221 L C -0.097 176.701 176.870 -0.119 0.000 1.127 1221 L CA 0.075 54.856 54.840 -0.099 0.000 0.884 1221 L CB -0.009 41.987 42.059 -0.105 0.000 1.065 1221 L HN 0.113 nan 8.230 nan 0.000 0.457 1222 K N 0.909 121.173 120.400 -0.228 0.000 3.239 1222 K HA -0.205 4.114 4.320 -0.001 0.000 0.270 1222 K C -0.273 176.089 176.600 -0.396 0.000 1.049 1222 K CA 0.513 56.557 56.287 -0.405 0.000 0.769 1222 K CB -1.277 31.222 32.500 -0.003 0.000 1.305 1222 K HN 0.146 nan 8.250 nan 0.000 0.469 1223 D N 0.465 120.613 120.400 -0.421 0.000 2.622 1223 D HA 0.195 4.834 4.640 -0.001 0.000 0.262 1223 D C 0.179 176.417 176.300 -0.102 0.000 1.189 1223 D CA -0.684 53.234 54.000 -0.137 0.000 0.985 1223 D CB -0.096 40.705 40.800 0.002 0.000 0.994 1223 D HN 0.167 nan 8.370 nan 0.000 0.513 1224 F N 0.195 120.230 119.950 0.141 0.000 2.816 1224 F HA 0.100 4.627 4.527 -0.001 0.000 0.302 1224 F C 1.444 177.339 175.800 0.158 0.000 1.178 1224 F CA 0.046 58.135 58.000 0.148 0.000 1.421 1224 F CB 0.197 39.258 39.000 0.102 0.000 1.114 1224 F HN 0.127 nan 8.300 nan 0.000 0.573 1225 D N -1.207 119.369 120.400 0.293 0.000 2.354 1225 D HA -0.021 4.619 4.640 -0.001 0.000 0.209 1225 D C 1.291 177.753 176.300 0.269 0.000 1.015 1225 D CA 0.676 54.826 54.000 0.250 0.000 0.867 1225 D CB -0.060 40.870 40.800 0.217 0.000 0.933 1225 D HN 0.298 nan 8.370 nan 0.000 0.520 1226 F N 0.023 120.049 119.950 0.127 0.000 2.706 1226 F HA 0.137 4.663 4.527 -0.001 0.000 0.313 1226 F C 1.463 177.350 175.800 0.144 0.000 1.096 1226 F CA 0.015 58.089 58.000 0.124 0.000 1.219 1226 F CB 0.629 39.709 39.000 0.134 0.000 1.051 1226 F HN -0.275 nan 8.300 nan 0.000 0.568 1227 V N 1.437 121.487 119.914 0.227 0.000 2.379 1227 V HA -0.052 4.068 4.120 -0.001 0.000 0.243 1227 V C -0.522 175.642 176.094 0.117 0.000 1.035 1227 V CA 1.375 63.797 62.300 0.203 0.000 1.035 1227 V CB -1.455 30.539 31.823 0.284 0.000 0.673 1227 V HN 0.099 nan 8.190 nan 0.000 0.457 1228 P HA -0.134 nan 4.420 nan 0.000 0.216 1228 P C -1.431 175.869 177.300 -0.001 0.000 1.157 1228 P CA 2.107 65.256 63.100 0.082 0.000 0.880 1228 P CB -1.313 30.443 31.700 0.095 0.000 0.791 1229 P HA -0.097 nan 4.420 nan 0.000 0.217 1229 P C 1.609 178.875 177.300 -0.056 0.000 1.150 1229 P CA 1.049 64.084 63.100 -0.108 0.000 0.832 1229 P CB -0.445 31.092 31.700 -0.272 0.000 0.787 1230 V N -0.428 119.455 119.914 -0.053 0.000 2.307 1230 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 1230 V C 2.479 178.640 176.094 0.112 0.000 1.045 1230 V CA 1.706 64.048 62.300 0.069 0.000 1.024 1230 V CB -1.260 30.664 31.823 0.168 0.000 0.651 1230 V HN -0.051 nan 8.190 nan 0.000 0.449 1231 V N 0.213 120.127 119.914 0.001 0.000 2.407 1231 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 1231 V C 2.567 178.631 176.094 -0.049 0.000 1.055 1231 V CA 2.389 64.622 62.300 -0.112 0.000 1.049 1231 V CB -0.877 30.699 31.823 -0.412 0.000 0.662 1231 V HN 0.507 nan 8.190 nan 0.000 0.455 1232 R N -1.149 119.346 120.500 -0.007 0.000 2.105 1232 R HA -0.260 4.079 4.340 -0.001 0.000 0.239 1232 R C 2.164 178.495 176.300 0.051 0.000 1.135 1232 R CA 2.294 58.400 56.100 0.011 0.000 0.967 1232 R CB -0.402 29.912 30.300 0.023 0.000 0.861 1232 R HN 0.651 nan 8.270 nan 0.000 0.442 1233 W N 1.051 122.310 121.300 -0.068 0.000 2.363 1233 W HA -0.128 4.532 4.660 -0.001 0.000 0.296 1233 W C 1.484 177.968 176.519 -0.059 0.000 1.212 1233 W CA 1.229 58.541 57.345 -0.055 0.000 1.260 1233 W CB -0.119 29.316 29.460 -0.041 0.000 1.131 1233 W HN 0.053 nan 8.180 nan 0.000 0.530 1234 L N 0.592 121.862 121.223 0.079 0.000 2.005 1234 L HA -0.249 4.090 4.340 -0.001 0.000 0.207 1234 L C 2.284 179.007 176.870 -0.245 0.000 1.072 1234 L CA 1.453 56.228 54.840 -0.108 0.000 0.744 1234 L CB -1.150 40.909 42.059 -0.000 0.000 0.895 1234 L HN -0.038 nan 8.230 nan 0.000 0.433 1235 N N 0.160 118.758 118.700 -0.170 0.000 2.223 1235 N HA -0.177 4.563 4.740 -0.001 0.000 0.185 1235 N C 1.674 177.068 175.510 -0.192 0.000 1.016 1235 N CA 1.117 54.069 53.050 -0.162 0.000 0.863 1235 N CB -0.171 38.263 38.487 -0.090 0.000 0.983 1235 N HN 0.428 nan 8.380 nan 0.000 0.429 1236 E N 0.348 120.417 120.200 -0.218 0.000 2.274 1236 E HA -0.078 4.271 4.350 -0.001 0.000 0.194 1236 E C 1.458 177.879 176.600 -0.298 0.000 0.996 1236 E CA 0.433 56.701 56.400 -0.220 0.000 0.840 1236 E CB 0.078 29.659 29.700 -0.199 0.000 0.772 1236 E HN 0.334 nan 8.360 nan 0.000 0.491 1237 Q N 0.345 119.883 119.800 -0.437 0.000 2.291 1237 Q HA -0.045 4.294 4.340 -0.001 0.000 0.205 1237 Q C 0.313 176.135 176.000 -0.296 0.000 0.970 1237 Q CA 0.444 55.984 55.803 -0.438 0.000 0.876 1237 Q CB -0.058 28.317 28.738 -0.604 0.000 0.935 1237 Q HN 0.205 nan 8.270 nan 0.000 0.455 1238 R N -0.129 120.173 120.500 -0.330 0.000 3.333 1238 R HA -0.232 4.108 4.340 -0.001 0.000 0.256 1238 R C -0.896 175.014 176.300 -0.649 0.000 1.010 1238 R CA 0.230 56.041 56.100 -0.481 0.000 0.680 1238 R CB -2.260 27.895 30.300 -0.241 0.000 1.102 1238 R HN 0.190 nan 8.270 nan 0.000 0.440 1239 Y N 0.357 120.282 120.300 -0.625 0.000 2.404 1239 Y HA 0.217 4.767 4.550 -0.001 0.000 0.344 1239 Y C 0.026 175.682 175.900 -0.406 0.000 0.970 1239 Y CA -0.901 56.943 58.100 -0.428 0.000 1.180 1239 Y CB 0.374 38.672 38.460 -0.271 0.000 1.138 1239 Y HN 0.137 nan 8.280 nan 0.000 0.510 1240 Y N 4.605 124.698 120.300 -0.345 0.000 2.583 1240 Y HA 0.382 4.931 4.550 -0.001 0.000 0.294 1240 Y C 1.369 177.198 175.900 -0.119 0.000 1.170 1240 Y CA -0.053 57.994 58.100 -0.088 0.000 1.265 1240 Y CB -0.200 38.309 38.460 0.082 0.000 1.119 1240 Y HN 0.904 nan 8.280 nan 0.000 0.522 1241 G N 0.115 108.466 108.800 -0.748 0.000 2.752 1241 G HA2 0.193 4.153 3.960 -0.001 0.000 0.234 1241 G HA3 0.193 4.153 3.960 -0.001 0.000 0.234 1241 G C 0.170 175.050 174.900 -0.034 0.000 1.367 1241 G CA -0.145 44.727 45.100 -0.381 0.000 0.879 1241 G HN 1.235 nan 8.290 nan 0.000 0.563 1242 G N -1.938 106.964 108.800 0.170 0.000 2.757 1242 G HA2 0.518 4.477 3.960 -0.001 0.000 0.686 1242 G HA3 0.518 4.477 3.960 -0.001 0.000 0.686 1242 G C 1.255 176.229 174.900 0.123 0.000 1.452 1242 G CA 0.784 45.992 45.100 0.180 0.000 0.922 1242 G HN 3.250 nan 8.290 nan 0.000 0.588 1243 G N -0.423 108.450 108.800 0.121 0.000 2.592 1243 G HA2 0.456 4.416 3.960 -0.001 0.000 0.685 1243 G HA3 0.456 4.416 3.960 -0.001 0.000 0.685 1243 G C -0.334 174.662 174.900 0.160 0.000 1.278 1243 G CA 0.047 45.229 45.100 0.138 0.000 0.822 1243 G HN 2.236 nan 8.290 nan 0.000 0.652 1244 Y N 1.534 121.869 120.300 0.058 0.000 2.865 1244 Y HA 0.281 4.830 4.550 -0.001 0.000 0.338 1244 Y C 1.508 177.441 175.900 0.054 0.000 1.269 1244 Y CA 1.941 60.072 58.100 0.051 0.000 1.585 1244 Y CB 0.399 38.882 38.460 0.038 0.000 1.224 1244 Y HN 2.490 nan 8.280 nan 0.000 0.554 1245 G N 4.079 112.545 108.800 -0.556 0.000 2.295 1245 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.287 1245 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.287 1245 G C 0.309 175.145 174.900 -0.106 0.000 1.055 1245 G CA 0.555 45.401 45.100 -0.424 0.000 0.922 1245 G HN 1.483 nan 8.290 nan 0.000 0.503 1246 S N -1.895 113.809 115.700 0.007 0.000 2.624 1246 S HA 0.391 4.860 4.470 -0.001 0.000 0.246 1246 S C 1.509 176.227 174.600 0.196 0.000 1.072 1246 S CA 0.840 59.129 58.200 0.150 0.000 1.045 1246 S CB 0.705 64.062 63.200 0.263 0.000 0.851 1246 S HN 0.297 nan 8.310 nan 0.000 0.480 1247 T N 2.457 117.089 114.554 0.131 0.000 2.701 1247 T HA -0.069 4.281 4.350 -0.001 0.000 0.263 1247 T C 1.891 176.771 174.700 0.299 0.000 1.040 1247 T CA 1.333 63.539 62.100 0.178 0.000 1.147 1247 T CB -0.172 68.732 68.868 0.060 0.000 0.865 1247 T HN 0.351 nan 8.240 nan 0.000 0.426 1248 Q N 0.709 120.681 119.800 0.287 0.000 2.137 1248 Q HA 0.200 4.539 4.340 -0.001 0.000 0.198 1248 Q C 2.684 178.930 176.000 0.410 0.000 0.960 1248 Q CA 1.189 57.245 55.803 0.421 0.000 0.847 1248 Q CB -0.682 28.322 28.738 0.443 0.000 0.915 1248 Q HN 0.544 nan 8.270 nan 0.000 0.448 1249 A N 0.457 123.467 122.820 0.317 0.000 1.972 1249 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 1249 A C 2.206 180.012 177.584 0.370 0.000 1.169 1249 A CA 1.905 54.093 52.037 0.252 0.000 0.635 1249 A CB -0.487 18.570 19.000 0.094 0.000 0.810 1249 A HN 0.351 nan 8.150 nan 0.000 0.446 1250 T N -1.669 113.157 114.554 0.453 0.000 2.901 1250 T HA 0.035 4.384 4.350 -0.001 0.000 0.252 1250 T C 1.588 176.579 174.700 0.485 0.000 1.035 1250 T CA 1.063 63.467 62.100 0.506 0.000 1.142 1250 T CB -0.320 68.805 68.868 0.429 0.000 0.869 1250 T HN 0.442 nan 8.240 nan 0.000 0.442 1251 F N 1.540 121.674 119.950 0.306 0.000 2.216 1251 F HA -0.042 4.485 4.527 -0.001 0.000 0.300 1251 F C 1.977 177.883 175.800 0.177 0.000 1.085 1251 F CA 1.049 59.202 58.000 0.254 0.000 1.326 1251 F CB -0.148 39.029 39.000 0.295 0.000 1.027 1251 F HN 0.003 nan 8.300 nan 0.000 0.497 1252 M N -1.116 118.637 119.600 0.255 0.000 2.357 1252 M HA 0.006 4.485 4.480 -0.001 0.000 0.266 1252 M C 2.355 178.608 176.300 -0.079 0.000 1.095 1252 M CA 0.708 56.008 55.300 0.000 0.000 1.156 1252 M CB -1.286 31.288 32.600 -0.045 0.000 1.365 1252 M HN 0.124 nan 8.290 nan 0.000 0.447 1253 V N -0.064 119.835 119.914 -0.024 0.000 2.626 1253 V HA -0.192 3.927 4.120 -0.001 0.000 0.252 1253 V C 1.705 177.602 176.094 -0.329 0.000 1.067 1253 V CA 1.615 63.811 62.300 -0.173 0.000 1.081 1253 V CB -0.367 31.335 31.823 -0.203 0.000 0.686 1253 V HN 0.256 nan 8.190 nan 0.000 0.468 1254 F N -0.623 119.265 119.950 -0.104 0.000 2.714 1254 F HA 0.161 4.688 4.527 -0.001 0.000 0.294 1254 F C 2.262 178.071 175.800 0.014 0.000 1.120 1254 F CA 0.969 58.875 58.000 -0.157 0.000 1.398 1254 F CB -0.077 38.746 39.000 -0.295 0.000 1.120 1254 F HN 0.158 nan 8.300 nan 0.000 0.589 1255 Q N 0.365 120.172 119.800 0.012 0.000 2.187 1255 Q HA -0.045 4.295 4.340 -0.001 0.000 0.199 1255 Q C 2.188 178.192 176.000 0.006 0.000 0.957 1255 Q CA 1.183 56.948 55.803 -0.064 0.000 0.857 1255 Q CB 0.035 28.574 28.738 -0.332 0.000 0.929 1255 Q HN 0.340 nan 8.270 nan 0.000 0.453 1256 A N 0.534 123.334 122.820 -0.033 0.000 1.898 1256 A HA -0.018 4.302 4.320 -0.001 0.000 0.214 1256 A C 1.934 179.583 177.584 0.108 0.000 1.183 1256 A CA 0.582 52.607 52.037 -0.020 0.000 0.622 1256 A CB -0.422 18.524 19.000 -0.089 0.000 0.824 1256 A HN 0.400 nan 8.150 nan 0.000 0.444 1257 L N -0.758 120.554 121.223 0.149 0.000 2.217 1257 L HA -0.106 4.234 4.340 -0.001 0.000 0.211 1257 L C 2.962 180.053 176.870 0.368 0.000 1.107 1257 L CA 0.823 55.829 54.840 0.277 0.000 0.783 1257 L CB -0.431 41.814 42.059 0.310 0.000 0.919 1257 L HN 0.444 nan 8.230 nan 0.000 0.442 1258 A N -0.339 122.693 122.820 0.354 0.000 1.872 1258 A HA -0.225 4.095 4.320 -0.001 0.000 0.214 1258 A C 2.208 179.847 177.584 0.092 0.000 1.187 1258 A CA 1.343 53.460 52.037 0.134 0.000 0.614 1258 A CB -0.406 18.720 19.000 0.210 0.000 0.826 1258 A HN 0.332 nan 8.150 nan 0.000 0.442 1259 Q N -1.270 118.622 119.800 0.154 0.000 2.170 1259 Q HA -0.203 4.137 4.340 -0.001 0.000 0.203 1259 Q C 1.714 177.792 176.000 0.131 0.000 0.976 1259 Q CA 2.014 57.890 55.803 0.122 0.000 0.858 1259 Q CB -0.688 28.113 28.738 0.106 0.000 0.907 1259 Q HN 0.738 nan 8.270 nan 0.000 0.433 1260 Y N 0.011 120.346 120.300 0.058 0.000 2.384 1260 Y HA -0.207 4.343 4.550 -0.001 0.000 0.289 1260 Y C 1.579 177.513 175.900 0.055 0.000 1.152 1260 Y CA 1.583 59.729 58.100 0.076 0.000 1.258 1260 Y CB 0.216 38.724 38.460 0.080 0.000 0.979 1260 Y HN 0.186 nan 8.280 nan 0.000 0.549 1261 Q N 0.146 119.919 119.800 -0.046 0.000 2.250 1261 Q HA -0.039 4.300 4.340 -0.001 0.000 0.200 1261 Q C 1.969 177.886 176.000 -0.138 0.000 0.941 1261 Q CA 0.971 56.684 55.803 -0.150 0.000 0.872 1261 Q CB -0.053 28.621 28.738 -0.107 0.000 0.965 1261 Q HN 0.522 nan 8.270 nan 0.000 0.480 1262 K N 1.174 121.528 120.400 -0.077 0.000 2.062 1262 K HA -0.121 4.199 4.320 -0.001 0.000 0.205 1262 K C 1.224 177.796 176.600 -0.047 0.000 1.051 1262 K CA 1.487 57.741 56.287 -0.056 0.000 0.941 1262 K CB 0.008 32.497 32.500 -0.017 0.000 0.719 1262 K HN 0.237 nan 8.250 nan 0.000 0.440 1263 D N 0.403 120.796 120.400 -0.011 0.000 2.336 1263 D HA 0.038 4.677 4.640 -0.001 0.000 0.229 1263 D C 0.068 176.354 176.300 -0.024 0.000 1.061 1263 D CA -0.156 53.876 54.000 0.054 0.000 0.875 1263 D CB -0.069 40.845 40.800 0.189 0.000 0.904 1263 D HN 0.020 nan 8.370 nan 0.000 0.525 1264 A N 1.253 123.970 122.820 -0.172 0.000 2.488 1264 A HA 0.360 4.680 4.320 -0.001 0.000 0.249 1264 A C -1.220 176.200 177.584 -0.272 0.000 1.083 1264 A CA -0.833 51.030 52.037 -0.289 0.000 0.768 1264 A CB 0.526 19.314 19.000 -0.353 0.000 1.017 1264 A HN 0.093 nan 8.150 nan 0.000 0.496 1265 P HA 0.119 nan 4.420 nan 0.000 0.214 1265 P C -0.184 176.965 177.300 -0.252 0.000 1.163 1265 P CA 0.754 63.647 63.100 -0.345 0.000 0.881 1265 P CB 0.202 31.634 31.700 -0.447 0.000 0.775 1266 D N -4.498 115.799 120.400 -0.173 0.000 2.954 1266 D HA -0.171 4.468 4.640 -0.001 0.000 0.200 1266 D C -0.263 176.035 176.300 -0.004 0.000 1.022 1266 D CA 1.198 55.143 54.000 -0.091 0.000 1.003 1266 D CB -2.632 38.090 40.800 -0.129 0.000 1.073 1266 D HN 0.486 nan 8.370 nan 0.000 0.438 1267 H N -0.025 118.953 119.070 -0.154 0.000 2.939 1267 H HA -0.172 4.383 4.556 -0.001 0.000 0.313 1267 H C -0.332 174.934 175.328 -0.104 0.000 0.949 1267 H CA 1.928 57.910 56.048 -0.110 0.000 1.000 1267 H CB -0.857 28.876 29.762 -0.049 0.000 1.600 1267 H HN 0.552 nan 8.280 nan 0.000 0.344 1268 Q N 2.292 121.912 119.800 -0.301 0.000 2.666 1268 Q HA 0.470 4.810 4.340 -0.001 0.000 0.276 1268 Q C -1.503 174.344 176.000 -0.256 0.000 0.952 1268 Q CA -0.648 55.005 55.803 -0.250 0.000 0.850 1268 Q CB 1.895 30.401 28.738 -0.386 0.000 1.512 1268 Q HN 0.571 nan 8.270 nan 0.000 0.395 1269 E N 2.130 122.244 120.200 -0.143 0.000 2.611 1269 E HA 0.219 4.569 4.350 -0.001 0.000 0.385 1269 E C -1.457 175.140 176.600 -0.005 0.000 1.045 1269 E CA -0.332 56.008 56.400 -0.099 0.000 0.712 1269 E CB 0.242 29.872 29.700 -0.117 0.000 1.519 1269 E HN 0.541 nan 8.360 nan 0.000 0.389 1270 L N 2.625 123.894 121.223 0.077 0.000 2.417 1270 L HA 0.428 4.767 4.340 -0.001 0.000 0.258 1270 L C -0.173 176.737 176.870 0.067 0.000 1.088 1270 L CA -0.657 54.254 54.840 0.118 0.000 0.975 1270 L CB 0.393 42.605 42.059 0.255 0.000 1.341 1270 L HN 0.351 nan 8.230 nan 0.000 0.431 1271 N N 3.811 122.505 118.700 -0.010 0.000 2.841 1271 N HA 0.350 5.089 4.740 -0.001 0.000 0.257 1271 N C -1.141 174.290 175.510 -0.131 0.000 1.396 1271 N CA -0.208 52.778 53.050 -0.106 0.000 0.823 1271 N CB 0.587 39.062 38.487 -0.019 0.000 1.162 1271 N HN 0.408 nan 8.380 nan 0.000 0.503 1272 L N 0.658 121.787 121.223 -0.156 0.000 2.289 1272 L HA 0.416 4.756 4.340 -0.001 0.000 0.285 1272 L C -0.073 176.728 176.870 -0.115 0.000 1.049 1272 L CA -0.670 54.112 54.840 -0.096 0.000 0.804 1272 L CB 1.407 43.436 42.059 -0.049 0.000 1.195 1272 L HN 0.208 nan 8.230 nan 0.000 0.428 1273 D N 3.022 123.386 120.400 -0.060 0.000 2.434 1273 D HA 0.259 4.899 4.640 -0.001 0.000 0.275 1273 D C -0.773 175.529 176.300 0.004 0.000 1.172 1273 D CA -0.275 53.706 54.000 -0.031 0.000 0.916 1273 D CB 1.119 41.907 40.800 -0.019 0.000 1.041 1273 D HN 0.008 nan 8.370 nan 0.000 0.501 1274 V N 2.443 122.371 119.914 0.023 0.000 2.546 1274 V HA 0.441 4.560 4.120 -0.001 0.000 0.284 1274 V C 0.648 176.779 176.094 0.062 0.000 1.050 1274 V CA -0.422 61.904 62.300 0.044 0.000 0.981 1274 V CB 1.305 33.161 31.823 0.054 0.000 0.990 1274 V HN 0.618 nan 8.190 nan 0.000 0.474 1275 S N 5.681 121.416 115.700 0.057 0.000 2.536 1275 S HA 0.849 5.319 4.470 -0.001 0.000 0.298 1275 S C -1.048 173.599 174.600 0.079 0.000 1.083 1275 S CA -0.867 57.368 58.200 0.057 0.000 0.995 1275 S CB 1.651 64.873 63.200 0.037 0.000 1.058 1275 S HN 0.467 nan 8.310 nan 0.000 0.488 1276 L N 1.889 123.157 121.223 0.075 0.000 2.381 1276 L HA 0.551 4.890 4.340 -0.001 0.000 0.274 1276 L C -0.373 176.531 176.870 0.057 0.000 0.988 1276 L CA -0.420 54.471 54.840 0.084 0.000 0.824 1276 L CB 1.973 44.058 42.059 0.045 0.000 1.263 1276 L HN 0.796 nan 8.230 nan 0.000 0.410 1277 Q N 3.969 123.827 119.800 0.097 0.000 2.523 1277 Q HA 0.473 4.812 4.340 -0.001 0.000 0.251 1277 Q C -1.554 174.506 176.000 0.100 0.000 1.033 1277 Q CA -0.699 55.148 55.803 0.073 0.000 0.746 1277 Q CB 1.048 29.828 28.738 0.070 0.000 1.189 1277 Q HN 0.515 nan 8.270 nan 0.000 0.508 1278 L N 4.330 125.566 121.223 0.022 0.000 2.375 1278 L HA 0.439 4.779 4.340 -0.001 0.000 0.268 1278 L C -1.555 175.330 176.870 0.024 0.000 1.058 1278 L CA -2.018 52.831 54.840 0.014 0.000 0.803 1278 L CB 0.526 42.488 42.059 -0.162 0.000 1.212 1278 L HN 0.468 nan 8.230 nan 0.000 0.451 1279 P HA -0.176 nan 4.420 nan 0.000 0.220 1279 P C 1.353 178.658 177.300 0.008 0.000 1.144 1279 P CA 1.301 64.419 63.100 0.030 0.000 0.800 1279 P CB 0.056 31.778 31.700 0.036 0.000 0.772 1280 S N -0.316 115.379 115.700 -0.008 0.000 2.465 1280 S HA -0.212 4.257 4.470 -0.001 0.000 0.241 1280 S C 1.275 175.869 174.600 -0.010 0.000 1.000 1280 S CA 0.098 58.289 58.200 -0.015 0.000 0.964 1280 S CB -1.129 62.052 63.200 -0.031 0.000 0.763 1280 S HN 0.128 nan 8.310 nan 0.000 0.512 1281 R N 1.970 122.468 120.500 -0.004 0.000 2.897 1281 R HA -0.177 4.163 4.340 -0.001 0.000 0.149 1281 R C 0.167 176.465 176.300 -0.002 0.000 0.362 1281 R CA 0.946 57.046 56.100 0.000 0.000 0.555 1281 R CB -1.051 29.254 30.300 0.008 0.000 1.533 1281 R HN 0.710 nan 8.270 nan 0.000 0.507 1282 S N -0.648 115.049 115.700 -0.006 0.000 2.628 1282 S HA 0.066 4.535 4.470 -0.001 0.000 0.246 1282 S C 0.873 175.468 174.600 -0.007 0.000 1.062 1282 S CA 0.137 58.333 58.200 -0.006 0.000 1.028 1282 S CB 0.602 63.798 63.200 -0.007 0.000 0.985 1282 S HN 0.600 nan 8.310 nan 0.000 0.551 1283 S N 0.576 116.271 115.700 -0.009 0.000 3.756 1283 S HA 0.727 5.196 4.470 -0.001 0.000 0.183 1283 S C -0.763 173.830 174.600 -0.011 0.000 1.093 1283 S CA -0.363 57.831 58.200 -0.011 0.000 1.303 1283 S CB 0.753 63.945 63.200 -0.014 0.000 1.593 1283 S HN 0.137 nan 8.310 nan 0.000 0.841 1284 K N -0.268 120.123 120.400 -0.015 0.000 2.735 1284 K HA 0.571 4.891 4.320 -0.001 0.000 0.295 1284 K C -2.131 174.455 176.600 -0.025 0.000 1.052 1284 K CA -0.341 55.937 56.287 -0.016 0.000 0.853 1284 K CB 1.452 33.942 32.500 -0.016 0.000 1.535 1284 K HN 0.651 nan 8.250 nan 0.000 0.383 1285 I N 0.966 121.523 120.570 -0.022 0.000 2.644 1285 I HA 0.364 4.534 4.170 -0.001 0.000 0.291 1285 I C -1.052 175.042 176.117 -0.038 0.000 1.180 1285 I CA -0.529 60.753 61.300 -0.031 0.000 1.040 1285 I CB 2.587 40.597 38.000 0.017 0.000 1.255 1285 I HN 0.382 nan 8.210 nan 0.000 0.422 1286 T N 3.597 118.072 114.554 -0.133 0.000 3.483 1286 T HA 0.356 4.706 4.350 -0.001 0.000 0.329 1286 T C -1.095 173.454 174.700 -0.252 0.000 1.014 1286 T CA -0.630 61.406 62.100 -0.106 0.000 1.056 1286 T CB 0.763 69.589 68.868 -0.070 0.000 1.090 1286 T HN 0.411 nan 8.240 nan 0.000 0.460 1287 H N 2.803 121.879 119.070 0.009 0.000 2.529 1287 H HA 0.484 5.040 4.556 -0.001 0.000 0.348 1287 H C 0.054 175.387 175.328 0.007 0.000 1.079 1287 H CA -0.821 55.234 56.048 0.012 0.000 1.198 1287 H CB 2.032 31.797 29.762 0.006 0.000 1.521 1287 H HN 0.561 nan 8.280 nan 0.000 0.514 1288 R N 2.861 123.436 120.500 0.124 0.000 2.338 1288 R HA 0.426 4.766 4.340 -0.001 0.000 0.317 1288 R C -0.807 175.518 176.300 0.041 0.000 0.968 1288 R CA -0.743 55.385 56.100 0.047 0.000 0.849 1288 R CB 1.205 31.566 30.300 0.101 0.000 1.128 1288 R HN 0.346 nan 8.270 nan 0.000 0.448 1289 I N 5.338 125.868 120.570 -0.067 0.000 2.395 1289 I HA 0.211 4.381 4.170 -0.001 0.000 0.282 1289 I C 0.404 176.472 176.117 -0.083 0.000 1.107 1289 I CA -0.453 60.828 61.300 -0.032 0.000 1.210 1289 I CB -0.276 37.712 38.000 -0.020 0.000 1.456 1289 I HN 0.634 nan 8.210 nan 0.000 0.504 1290 H N 3.286 122.393 119.070 0.062 0.000 2.534 1290 H HA 0.057 4.613 4.556 -0.001 0.000 0.364 1290 H C 0.699 176.107 175.328 0.133 0.000 1.328 1290 H CA -0.270 55.839 56.048 0.101 0.000 1.415 1290 H CB 1.515 31.333 29.762 0.092 0.000 1.573 1290 H HN 0.554 nan 8.280 nan 0.000 0.601 1291 W N 1.747 123.129 121.300 0.137 0.000 1.183 1291 W HA -0.269 4.390 4.660 -0.001 0.000 0.258 1291 W C 1.586 178.138 176.519 0.053 0.000 0.716 1291 W CA 1.529 58.912 57.345 0.064 0.000 0.885 1291 W CB -0.169 29.318 29.460 0.044 0.000 0.970 1291 W HN 0.822 nan 8.180 nan 0.000 0.556 1292 E N 0.764 120.731 120.200 -0.388 0.000 2.786 1292 E HA -0.460 3.890 4.350 -0.001 0.000 0.237 1292 E C 1.806 178.208 176.600 -0.330 0.000 0.950 1292 E CA 3.300 59.469 56.400 -0.385 0.000 1.380 1292 E CB -1.952 27.735 29.700 -0.022 0.000 1.351 1292 E HN 0.437 nan 8.360 nan 0.000 0.484 1293 S N 2.525 118.144 115.700 -0.136 0.000 2.354 1293 S HA -0.029 4.441 4.470 -0.001 0.000 0.219 1293 S C 2.066 176.587 174.600 -0.132 0.000 1.035 1293 S CA 3.093 61.233 58.200 -0.100 0.000 1.037 1293 S CB -1.028 62.161 63.200 -0.018 0.000 0.956 1293 S HN 1.212 nan 8.310 nan 0.000 0.428 1294 A N 2.182 124.949 122.820 -0.087 0.000 4.368 1294 A HA -0.418 3.901 4.320 -0.001 0.000 0.362 1294 A C 2.302 179.837 177.584 -0.081 0.000 2.036 1294 A CA 4.204 56.192 52.037 -0.082 0.000 0.807 1294 A CB -2.514 16.393 19.000 -0.155 0.000 1.408 1294 A HN 1.666 nan 8.150 nan 0.000 0.477 1295 S N -0.123 115.503 115.700 -0.124 0.000 2.434 1295 S HA -0.126 4.343 4.470 -0.001 0.000 0.243 1295 S C 0.894 175.455 174.600 -0.065 0.000 1.045 1295 S CA 1.516 59.661 58.200 -0.092 0.000 1.019 1295 S CB -1.010 62.123 63.200 -0.113 0.000 0.811 1295 S HN 1.803 nan 8.310 nan 0.000 0.485 1296 L N 2.176 123.360 121.223 -0.064 0.000 2.776 1296 L HA 0.061 4.401 4.340 -0.001 0.000 0.283 1296 L C -0.584 176.261 176.870 -0.041 0.000 1.194 1296 L CA 0.382 55.194 54.840 -0.046 0.000 0.947 1296 L CB -0.346 41.694 42.059 -0.032 0.000 1.255 1296 L HN 0.237 nan 8.230 nan 0.000 0.481 1297 L N 6.900 128.097 121.223 -0.042 0.000 2.385 1297 L HA 0.314 4.653 4.340 -0.001 0.000 0.285 1297 L C 0.574 177.406 176.870 -0.064 0.000 1.125 1297 L CA 0.422 55.234 54.840 -0.046 0.000 0.890 1297 L CB 0.019 42.055 42.059 -0.039 0.000 1.251 1297 L HN 0.516 nan 8.230 nan 0.000 0.445 1298 R N 1.743 122.190 120.500 -0.088 0.000 2.340 1298 R HA 0.558 4.898 4.340 -0.001 0.000 0.300 1298 R C 0.057 176.251 176.300 -0.176 0.000 1.069 1298 R CA -0.196 55.806 56.100 -0.162 0.000 0.984 1298 R CB 0.979 31.133 30.300 -0.245 0.000 1.003 1298 R HN 0.690 nan 8.270 nan 0.000 0.459 1299 S N 1.571 117.166 115.700 -0.176 0.000 2.570 1299 S HA 0.571 5.040 4.470 -0.001 0.000 0.286 1299 S C -0.831 173.685 174.600 -0.139 0.000 1.099 1299 S CA -1.130 56.992 58.200 -0.129 0.000 0.913 1299 S CB 2.669 65.824 63.200 -0.075 0.000 1.085 1299 S HN 0.377 nan 8.310 nan 0.000 0.480 1300 E N 0.853 120.990 120.200 -0.106 0.000 2.314 1300 E HA 0.569 4.919 4.350 -0.001 0.000 0.272 1300 E C -1.411 175.143 176.600 -0.077 0.000 0.884 1300 E CA -0.533 55.813 56.400 -0.090 0.000 0.753 1300 E CB 2.214 31.855 29.700 -0.100 0.000 1.213 1300 E HN 0.742 nan 8.360 nan 0.000 0.432 1301 E N 0.415 120.578 120.200 -0.062 0.000 2.222 1301 E HA 0.549 4.898 4.350 -0.001 0.000 0.267 1301 E C -0.955 175.611 176.600 -0.057 0.000 0.884 1301 E CA -0.755 55.615 56.400 -0.051 0.000 0.764 1301 E CB 1.926 31.608 29.700 -0.030 0.000 1.169 1301 E HN 0.410 nan 8.360 nan 0.000 0.413 1302 T N -1.073 113.448 114.554 -0.055 0.000 2.937 1302 T HA 0.372 4.721 4.350 -0.001 0.000 0.297 1302 T C 0.228 174.915 174.700 -0.021 0.000 0.991 1302 T CA -1.071 60.999 62.100 -0.051 0.000 0.990 1302 T CB 1.147 69.962 68.868 -0.087 0.000 0.991 1302 T HN 0.340 nan 8.240 nan 0.000 0.440 1303 K N 1.061 121.454 120.400 -0.012 0.000 2.555 1303 K HA 0.081 4.401 4.320 -0.001 0.000 0.193 1303 K C 0.608 177.212 176.600 0.007 0.000 1.032 1303 K CA 0.450 56.740 56.287 0.004 0.000 1.004 1303 K CB 0.287 32.790 32.500 0.006 0.000 0.804 1303 K HN 0.697 nan 8.250 nan 0.000 0.496 1304 E N 1.214 121.414 120.200 -0.000 0.000 2.222 1304 E HA 0.099 4.448 4.350 -0.001 0.000 0.267 1304 E C -1.310 175.297 176.600 0.011 0.000 0.884 1304 E CA -0.807 55.595 56.400 0.005 0.000 0.764 1304 E CB 1.071 30.772 29.700 0.001 0.000 1.169 1304 E HN -0.104 nan 8.360 nan 0.000 0.413 1305 N N 3.682 122.391 118.700 0.014 0.000 2.415 1305 N HA 0.044 4.783 4.740 -0.001 0.000 0.250 1305 N C -1.164 174.374 175.510 0.046 0.000 1.127 1305 N CA 0.223 53.289 53.050 0.026 0.000 0.945 1305 N CB 0.468 38.952 38.487 -0.005 0.000 1.196 1305 N HN 0.357 nan 8.380 nan 0.000 0.499 1306 E N 1.224 121.482 120.200 0.096 0.000 2.281 1306 E HA 0.504 4.854 4.350 -0.001 0.000 0.262 1306 E C -0.288 176.439 176.600 0.211 0.000 0.933 1306 E CA -1.055 55.422 56.400 0.127 0.000 0.809 1306 E CB 1.585 31.354 29.700 0.115 0.000 1.242 1306 E HN 0.566 nan 8.360 nan 0.000 0.418 1307 G N 1.620 110.511 108.800 0.153 0.000 2.547 1307 G HA2 0.513 4.472 3.960 -0.001 0.000 0.327 1307 G HA3 0.513 4.472 3.960 -0.001 0.000 0.327 1307 G C -0.539 174.439 174.900 0.129 0.000 1.118 1307 G CA -0.440 44.709 45.100 0.082 0.000 1.022 1307 G HN 0.281 nan 8.290 nan 0.000 0.464 1308 F N 0.434 120.381 119.950 -0.004 0.000 2.631 1308 F HA 0.909 5.436 4.527 -0.001 0.000 0.350 1308 F C -0.043 175.757 175.800 0.000 0.000 1.080 1308 F CA -1.245 56.754 58.000 -0.001 0.000 1.026 1308 F CB 1.517 40.518 39.000 0.002 0.000 1.347 1308 F HN 0.188 nan 8.300 nan 0.000 0.501 1309 T N 1.083 115.726 114.554 0.149 0.000 2.886 1309 T HA 0.590 4.939 4.350 -0.001 0.000 0.292 1309 T C -1.105 173.678 174.700 0.138 0.000 1.012 1309 T CA -0.610 61.511 62.100 0.035 0.000 0.982 1309 T CB 1.910 70.794 68.868 0.026 0.000 1.018 1309 T HN 0.557 nan 8.240 nan 0.000 0.451 1310 V N 2.682 122.642 119.914 0.077 0.000 2.483 1310 V HA 0.647 4.766 4.120 -0.001 0.000 0.295 1310 V C 0.004 176.133 176.094 0.057 0.000 1.035 1310 V CA -0.631 61.733 62.300 0.106 0.000 0.896 1310 V CB 1.944 33.832 31.823 0.108 0.000 0.986 1310 V HN 1.009 nan 8.190 nan 0.000 0.447 1311 T N 3.940 118.529 114.554 0.058 0.000 2.864 1311 T HA 0.693 5.042 4.350 -0.001 0.000 0.299 1311 T C -0.040 174.680 174.700 0.032 0.000 1.011 1311 T CA -0.207 61.914 62.100 0.036 0.000 0.975 1311 T CB 1.433 70.320 68.868 0.032 0.000 0.962 1311 T HN 0.939 nan 8.240 nan 0.000 0.448 1312 A N 2.927 125.761 122.820 0.023 0.000 2.269 1312 A HA 0.911 5.231 4.320 -0.001 0.000 0.319 1312 A C -0.173 177.417 177.584 0.009 0.000 1.110 1312 A CA -0.621 51.426 52.037 0.017 0.000 0.847 1312 A CB 1.043 20.052 19.000 0.014 0.000 1.161 1312 A HN 0.798 nan 8.150 nan 0.000 0.497 1313 E N -0.648 119.553 120.200 0.002 0.000 2.400 1313 E HA 0.484 4.834 4.350 -0.001 0.000 0.285 1313 E C -0.413 176.180 176.600 -0.012 0.000 1.005 1313 E CA 0.102 56.501 56.400 -0.002 0.000 0.816 1313 E CB 1.525 31.226 29.700 0.002 0.000 1.220 1313 E HN 2.270 nan 8.360 nan 0.000 0.426 1314 G N 2.338 111.132 108.800 -0.010 0.000 2.498 1314 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.651 1314 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.651 1314 G C -1.246 173.646 174.900 -0.014 0.000 1.284 1314 G CA -0.495 44.596 45.100 -0.015 0.000 0.950 1314 G HN 0.486 nan 8.290 nan 0.000 0.511 1315 K N -0.010 120.380 120.400 -0.017 0.000 2.102 1315 K HA 0.751 5.071 4.320 -0.001 0.000 0.244 1315 K C 0.803 177.396 176.600 -0.012 0.000 1.021 1315 K CA 0.969 57.245 56.287 -0.017 0.000 0.913 1315 K CB 0.838 33.323 32.500 -0.024 0.000 1.062 1315 K HN 2.440 nan 8.250 nan 0.000 0.485 1316 G N -0.047 108.748 108.800 -0.008 0.000 2.619 1316 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.686 1316 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.686 1316 G C -1.572 173.337 174.900 0.014 0.000 1.256 1316 G CA -0.851 44.254 45.100 0.010 0.000 0.826 1316 G HN 0.523 nan 8.290 nan 0.000 0.619 1317 Q N -0.146 119.671 119.800 0.028 0.000 2.321 1317 Q HA 0.669 5.009 4.340 -0.001 0.000 0.270 1317 Q C 0.275 176.292 176.000 0.028 0.000 1.032 1317 Q CA -0.169 55.650 55.803 0.027 0.000 0.784 1317 Q CB 1.661 30.421 28.738 0.035 0.000 1.264 1317 Q HN 1.543 nan 8.270 nan 0.000 0.448 1318 G N 1.103 109.915 108.800 0.020 0.000 2.949 1318 G HA2 0.710 4.670 3.960 -0.001 0.000 0.285 1318 G HA3 0.710 4.670 3.960 -0.001 0.000 0.285 1318 G C -1.256 173.653 174.900 0.014 0.000 1.395 1318 G CA -0.463 44.647 45.100 0.016 0.000 0.901 1318 G HN 0.479 nan 8.290 nan 0.000 0.519 1319 T N 0.024 114.584 114.554 0.010 0.000 2.893 1319 T HA 0.526 4.876 4.350 -0.001 0.000 0.293 1319 T C -1.446 173.260 174.700 0.010 0.000 1.027 1319 T CA -0.302 61.803 62.100 0.010 0.000 0.988 1319 T CB 1.821 70.694 68.868 0.008 0.000 1.043 1319 T HN 0.473 nan 8.240 nan 0.000 0.461 1320 L N 3.731 124.962 121.223 0.013 0.000 2.342 1320 L HA 0.695 5.035 4.340 -0.001 0.000 0.276 1320 L C -0.438 176.445 176.870 0.021 0.000 0.997 1320 L CA -0.295 54.557 54.840 0.020 0.000 0.838 1320 L CB 1.264 43.340 42.059 0.028 0.000 1.224 1320 L HN 0.721 nan 8.230 nan 0.000 0.416 1321 S N 4.171 119.884 115.700 0.023 0.000 2.596 1321 S HA 0.820 5.290 4.470 -0.001 0.000 0.318 1321 S C -0.780 173.842 174.600 0.036 0.000 1.097 1321 S CA -0.707 57.507 58.200 0.023 0.000 1.080 1321 S CB 1.461 64.670 63.200 0.014 0.000 0.991 1321 S HN 0.335 nan 8.310 nan 0.000 0.471 1322 V N 3.725 123.667 119.914 0.047 0.000 2.417 1322 V HA 0.646 4.766 4.120 -0.001 0.000 0.291 1322 V C -0.512 175.615 176.094 0.055 0.000 1.024 1322 V CA -0.574 61.769 62.300 0.071 0.000 0.861 1322 V CB 1.486 33.382 31.823 0.121 0.000 0.985 1322 V HN 0.856 nan 8.190 nan 0.000 0.436 1323 V N 3.599 123.544 119.914 0.053 0.000 2.709 1323 V HA 0.637 4.756 4.120 -0.001 0.000 0.308 1323 V C 0.079 176.207 176.094 0.057 0.000 1.062 1323 V CA -0.565 61.764 62.300 0.048 0.000 0.901 1323 V CB 2.536 34.380 31.823 0.034 0.000 1.003 1323 V HN 0.978 nan 8.190 nan 0.000 0.425 1324 T N 1.889 116.486 114.554 0.072 0.000 2.895 1324 T HA 0.803 5.152 4.350 -0.001 0.000 0.283 1324 T C -0.522 174.258 174.700 0.134 0.000 1.014 1324 T CA -0.647 61.507 62.100 0.091 0.000 1.037 1324 T CB 1.907 70.821 68.868 0.077 0.000 1.006 1324 T HN 0.614 nan 8.240 nan 0.000 0.468 1325 M N 3.481 123.158 119.600 0.128 0.000 2.259 1325 M HA 0.596 5.076 4.480 -0.001 0.000 0.304 1325 M C -1.913 174.476 176.300 0.148 0.000 1.019 1325 M CA -0.851 54.506 55.300 0.096 0.000 0.922 1325 M CB 1.320 33.923 32.600 0.006 0.000 1.600 1325 M HN 0.997 nan 8.290 nan 0.000 0.433 1326 Y N 0.646 120.885 120.300 -0.101 0.000 2.744 1326 Y HA 0.530 5.080 4.550 -0.001 0.000 0.330 1326 Y C -1.508 174.275 175.900 -0.194 0.000 1.263 1326 Y CA -1.254 56.782 58.100 -0.106 0.000 1.065 1326 Y CB 1.098 39.551 38.460 -0.012 0.000 1.306 1326 Y HN 0.507 nan 8.280 nan 0.000 0.459 1327 H N 1.666 120.734 119.070 -0.002 0.000 2.690 1327 H HA 0.639 5.194 4.556 -0.001 0.000 0.289 1327 H C -0.255 175.031 175.328 -0.070 0.000 1.089 1327 H CA -0.113 55.874 56.048 -0.102 0.000 1.299 1327 H CB 1.127 30.897 29.762 0.014 0.000 1.405 1327 H HN 0.876 nan 8.280 nan 0.000 0.463 1328 A N 3.702 126.376 122.820 -0.243 0.000 2.313 1328 A HA 0.161 4.481 4.320 -0.001 0.000 0.261 1328 A C 0.574 178.201 177.584 0.072 0.000 1.090 1328 A CA -0.586 51.437 52.037 -0.022 0.000 0.807 1328 A CB 0.538 19.443 19.000 -0.159 0.000 1.055 1328 A HN 0.671 nan 8.150 nan 0.000 0.492 1329 K N 1.522 121.987 120.400 0.108 0.000 2.273 1329 K HA 0.431 4.751 4.320 -0.001 0.000 0.287 1329 K C -0.140 176.489 176.600 0.048 0.000 1.089 1329 K CA -0.099 56.232 56.287 0.075 0.000 0.909 1329 K CB 0.299 32.845 32.500 0.076 0.000 1.123 1329 K HN 0.721 nan 8.250 nan 0.000 0.473 1330 A N 4.780 127.621 122.820 0.036 0.000 2.409 1330 A HA 0.121 4.440 4.320 -0.001 0.000 0.267 1330 A C 0.130 177.730 177.584 0.026 0.000 1.127 1330 A CA -0.288 51.765 52.037 0.026 0.000 0.795 1330 A CB 0.179 19.193 19.000 0.022 0.000 1.061 1330 A HN 0.840 nan 8.150 nan 0.000 0.502 1331 K N 2.231 122.645 120.400 0.024 0.000 3.387 1331 K HA 0.017 4.337 4.320 -0.001 0.000 0.300 1331 K C -0.514 176.098 176.600 0.020 0.000 0.980 1331 K CA 0.214 56.514 56.287 0.022 0.000 1.098 1331 K CB -0.418 32.094 32.500 0.020 0.000 1.227 1331 K HN 0.747 nan 8.250 nan 0.000 0.367 1332 D N 0.297 120.710 120.400 0.021 0.000 2.811 1332 D HA -0.258 4.382 4.640 -0.001 0.000 0.231 1332 D C 0.125 176.438 176.300 0.021 0.000 1.157 1332 D CA 0.907 54.920 54.000 0.021 0.000 0.716 1332 D CB -1.248 39.564 40.800 0.020 0.000 1.077 1332 D HN 0.593 nan 8.370 nan 0.000 0.428 1333 Q N 0.114 119.926 119.800 0.019 0.000 2.326 1333 Q HA -0.007 4.333 4.340 -0.001 0.000 0.314 1333 Q C 0.200 176.212 176.000 0.019 0.000 1.091 1333 Q CA -0.351 55.462 55.803 0.017 0.000 0.974 1333 Q CB 0.431 29.177 28.738 0.014 0.000 1.220 1333 Q HN 0.172 nan 8.270 nan 0.000 0.398 1334 L N 5.157 126.390 121.223 0.017 0.000 2.771 1334 L HA -0.097 4.243 4.340 -0.001 0.000 0.278 1334 L C 1.183 178.068 176.870 0.026 0.000 1.175 1334 L CA 1.470 56.322 54.840 0.020 0.000 0.973 1334 L CB -0.186 41.880 42.059 0.013 0.000 1.286 1334 L HN 1.015 nan 8.230 nan 0.000 0.481 1335 T N -0.301 114.273 114.554 0.034 0.000 3.085 1335 T HA -0.050 4.299 4.350 -0.001 0.000 0.263 1335 T C 1.743 176.471 174.700 0.047 0.000 1.127 1335 T CA 0.558 62.681 62.100 0.039 0.000 1.103 1335 T CB -0.131 68.762 68.868 0.043 0.000 0.921 1335 T HN 0.689 nan 8.240 nan 0.000 0.510 1336 c N 1.520 120.151 118.600 0.052 0.000 2.587 1336 c HA 0.203 4.772 4.570 -0.001 0.000 0.287 1336 c C 0.676 174.810 174.090 0.073 0.000 1.374 1336 c CA -0.102 56.272 56.329 0.075 0.000 1.770 1336 c CB -1.072 41.488 42.510 0.083 0.000 2.137 1336 c HN 0.855 nan 8.230 nan 0.000 0.550 1337 N N 1.507 120.228 118.700 0.034 0.000 2.661 1337 N HA -0.240 4.499 4.740 -0.001 0.000 0.304 1337 N C -0.258 175.221 175.510 -0.052 0.000 1.273 1337 N CA 1.288 54.328 53.050 -0.016 0.000 0.684 1337 N CB -0.911 37.563 38.487 -0.022 0.000 1.036 1337 N HN 0.826 nan 8.380 nan 0.000 0.527 1338 K N -1.233 119.063 120.400 -0.173 0.000 3.368 1338 K HA -0.083 4.237 4.320 -0.001 0.000 0.225 1338 K C -1.085 175.152 176.600 -0.605 0.000 1.163 1338 K CA 0.522 56.522 56.287 -0.478 0.000 0.910 1338 K CB -1.208 31.116 32.500 -0.293 0.000 1.663 1338 K HN 0.453 nan 8.250 nan 0.000 0.611 1339 F N 1.778 121.702 119.950 -0.045 0.000 3.361 1339 F HA 0.217 4.744 4.527 -0.001 0.000 0.390 1339 F C -0.674 175.139 175.800 0.022 0.000 1.251 1339 F CA -1.093 56.929 58.000 0.037 0.000 1.260 1339 F CB 1.149 40.198 39.000 0.081 0.000 1.847 1339 F HN -0.204 nan 8.300 nan 0.000 0.673 1340 D N 3.057 123.545 120.400 0.147 0.000 2.382 1340 D HA 0.436 5.076 4.640 -0.001 0.000 0.245 1340 D C -0.777 175.599 176.300 0.128 0.000 1.120 1340 D CA 0.334 54.397 54.000 0.105 0.000 0.890 1340 D CB 1.845 42.680 40.800 0.058 0.000 1.201 1340 D HN 0.292 nan 8.370 nan 0.000 0.433 1341 L N 1.943 123.218 121.223 0.088 0.000 2.580 1341 L HA 0.334 4.673 4.340 -0.001 0.000 0.266 1341 L C -1.587 175.307 176.870 0.040 0.000 0.955 1341 L CA -0.570 54.309 54.840 0.066 0.000 0.886 1341 L CB 1.588 43.681 42.059 0.055 0.000 1.263 1341 L HN 0.119 nan 8.230 nan 0.000 0.406 1342 K N 4.029 124.445 120.400 0.028 0.000 2.450 1342 K HA 0.747 5.067 4.320 -0.001 0.000 0.257 1342 K C -1.231 175.366 176.600 -0.006 0.000 0.953 1342 K CA -0.401 55.896 56.287 0.017 0.000 0.844 1342 K CB 2.312 34.821 32.500 0.015 0.000 1.103 1342 K HN 0.316 nan 8.250 nan 0.000 0.429 1343 V N 2.778 122.691 119.914 -0.002 0.000 2.398 1343 V HA 0.508 4.627 4.120 -0.001 0.000 0.286 1343 V C -0.340 175.726 176.094 -0.046 0.000 1.026 1343 V CA -0.595 61.676 62.300 -0.048 0.000 0.868 1343 V CB 1.785 33.595 31.823 -0.021 0.000 0.982 1343 V HN 0.776 nan 8.190 nan 0.000 0.443 1344 T N 5.607 120.090 114.554 -0.118 0.000 2.876 1344 T HA 0.670 5.019 4.350 -0.001 0.000 0.289 1344 T C -0.865 173.732 174.700 -0.171 0.000 1.014 1344 T CA -0.296 61.746 62.100 -0.097 0.000 0.986 1344 T CB 1.890 70.712 68.868 -0.077 0.000 1.021 1344 T HN 0.475 nan 8.240 nan 0.000 0.458 1345 I N 2.905 123.411 120.570 -0.107 0.000 2.439 1345 I HA 0.503 4.673 4.170 -0.001 0.000 0.285 1345 I C -1.048 175.012 176.117 -0.095 0.000 1.021 1345 I CA -0.473 60.745 61.300 -0.137 0.000 1.091 1345 I CB 0.686 38.652 38.000 -0.057 0.000 1.242 1345 I HN 0.471 nan 8.210 nan 0.000 0.439 1346 K N 7.586 127.917 120.400 -0.114 0.000 2.385 1346 K HA 0.659 4.978 4.320 -0.001 0.000 0.248 1346 K C -2.653 173.903 176.600 -0.073 0.000 0.955 1346 K CA -1.787 54.454 56.287 -0.076 0.000 0.816 1346 K CB 1.601 34.061 32.500 -0.067 0.000 1.250 1346 K HN 0.256 nan 8.250 nan 0.000 0.434 1347 P HA 0.017 nan 4.420 nan 0.000 0.271 1347 P C -1.200 176.086 177.300 -0.025 0.000 1.244 1347 P CA -0.278 62.807 63.100 -0.024 0.000 0.793 1347 P CB 0.522 32.219 31.700 -0.005 0.000 0.984 1348 A N 1.098 123.914 122.820 -0.007 0.000 2.320 1348 A HA 0.688 5.008 4.320 -0.001 0.000 0.334 1348 A C -1.926 175.662 177.584 0.008 0.000 1.147 1348 A CA -1.078 50.956 52.037 -0.005 0.000 0.820 1348 A CB -1.224 17.777 19.000 0.002 0.000 1.218 1348 A HN 0.452 nan 8.150 nan 0.000 0.482 1357 D N -0.178 120.235 120.400 0.021 0.000 3.400 1357 D HA 0.278 4.917 4.640 -0.001 0.000 0.226 1357 D C 0.695 177.018 176.300 0.040 0.000 1.152 1357 D CA 1.057 55.073 54.000 0.028 0.000 1.008 1357 D CB -1.487 39.334 40.800 0.036 0.000 0.866 1357 D HN 2.359 nan 8.370 nan 0.000 0.402 1358 A N 0.049 122.887 122.820 0.030 0.000 2.233 1358 A HA 0.502 4.822 4.320 -0.001 0.000 0.230 1358 A C 2.162 179.771 177.584 0.042 0.000 1.347 1358 A CA 1.883 53.940 52.037 0.033 0.000 1.087 1358 A CB -0.830 18.183 19.000 0.022 0.000 0.871 1358 A HN 1.773 nan 8.150 nan 0.000 0.519 1359 K N 0.494 120.928 120.400 0.057 0.000 1.993 1359 K HA -0.025 4.295 4.320 -0.001 0.000 0.222 1359 K C 1.152 177.804 176.600 0.088 0.000 1.021 1359 K CA 1.847 58.175 56.287 0.069 0.000 1.023 1359 K CB -0.393 32.167 32.500 0.100 0.000 0.799 1359 K HN 0.501 nan 8.250 nan 0.000 0.444 1360 N N -3.573 115.209 118.700 0.137 0.000 2.035 1360 N HA 0.012 4.752 4.740 -0.001 0.000 0.290 1360 N C -0.570 175.065 175.510 0.209 0.000 1.221 1360 N CA 0.720 53.874 53.050 0.173 0.000 0.736 1360 N CB 0.091 38.716 38.487 0.229 0.000 1.648 1360 N HN 0.579 nan 8.380 nan 0.000 0.648 1361 T N 2.305 116.997 114.554 0.230 0.000 2.190 1361 T HA -0.202 4.147 4.350 -0.001 0.000 0.175 1361 T C 0.341 175.068 174.700 0.045 0.000 1.091 1361 T CA 0.926 63.106 62.100 0.133 0.000 1.860 1361 T CB -0.597 68.329 68.868 0.097 0.000 0.973 1361 T HN 0.103 nan 8.240 nan 0.000 0.415 1362 M N 4.465 124.075 119.600 0.018 0.000 2.817 1362 M HA 0.620 5.100 4.480 -0.001 0.000 0.288 1362 M C 0.073 176.280 176.300 -0.156 0.000 1.202 1362 M CA -1.105 54.148 55.300 -0.078 0.000 0.871 1362 M CB 1.596 34.115 32.600 -0.134 0.000 1.611 1362 M HN 0.412 nan 8.290 nan 0.000 0.517 1363 I N 1.674 122.132 120.570 -0.187 0.000 2.436 1363 I HA 0.335 4.505 4.170 -0.001 0.000 0.289 1363 I C -1.369 174.535 176.117 -0.354 0.000 1.010 1363 I CA -0.863 60.290 61.300 -0.245 0.000 1.098 1363 I CB 1.911 39.810 38.000 -0.169 0.000 1.266 1363 I HN 0.344 nan 8.210 nan 0.000 0.434 1364 L N 6.994 127.881 121.223 -0.559 0.000 2.276 1364 L HA 0.438 4.777 4.340 -0.001 0.000 0.286 1364 L C -0.303 176.211 176.870 -0.594 0.000 1.024 1364 L CA 0.063 54.482 54.840 -0.702 0.000 0.826 1364 L CB 1.057 42.498 42.059 -1.031 0.000 1.211 1364 L HN 0.582 nan 8.230 nan 0.000 0.422 1365 E N 5.328 125.300 120.200 -0.381 0.000 2.166 1365 E HA 0.526 4.876 4.350 -0.001 0.000 0.275 1365 E C -1.343 175.146 176.600 -0.185 0.000 0.941 1365 E CA -0.556 55.704 56.400 -0.233 0.000 0.784 1365 E CB 1.186 30.794 29.700 -0.153 0.000 1.115 1365 E HN 0.657 nan 8.360 nan 0.000 0.399 1366 I N 4.326 124.830 120.570 -0.110 0.000 2.436 1366 I HA 0.364 4.534 4.170 -0.001 0.000 0.289 1366 I C -0.848 175.258 176.117 -0.019 0.000 1.010 1366 I CA -0.880 60.382 61.300 -0.063 0.000 1.098 1366 I CB 1.621 39.601 38.000 -0.032 0.000 1.266 1366 I HN 0.526 nan 8.210 nan 0.000 0.434 1367 c N 3.777 122.373 118.600 -0.007 0.000 2.441 1367 c HA 0.799 5.368 4.570 -0.001 0.000 0.318 1367 c C 0.322 174.439 174.090 0.045 0.000 1.222 1367 c CA -0.442 55.897 56.329 0.017 0.000 1.474 1367 c CB 1.613 44.129 42.510 0.009 0.000 2.125 1367 c HN 0.806 nan 8.230 nan 0.000 0.479 1368 T N 2.420 117.018 114.554 0.073 0.000 2.883 1368 T HA 0.757 5.107 4.350 -0.001 0.000 0.301 1368 T C -1.451 173.331 174.700 0.137 0.000 1.158 1368 T CA -0.503 61.673 62.100 0.128 0.000 1.007 1368 T CB 1.498 70.473 68.868 0.179 0.000 1.186 1368 T HN 0.885 nan 8.240 nan 0.000 0.499 1369 R N 1.956 122.552 120.500 0.159 0.000 2.604 1369 R HA 0.420 4.759 4.340 -0.001 0.000 0.270 1369 R C -2.093 174.250 176.300 0.073 0.000 1.052 1369 R CA -0.741 55.429 56.100 0.117 0.000 0.902 1369 R CB 1.462 31.800 30.300 0.063 0.000 1.233 1369 R HN 0.704 nan 8.270 nan 0.000 0.455 1370 Y N 3.054 123.290 120.300 -0.105 0.000 2.336 1370 Y HA 0.284 4.834 4.550 -0.001 0.000 0.335 1370 Y C 0.367 176.180 175.900 -0.145 0.000 1.046 1370 Y CA -0.173 57.744 58.100 -0.306 0.000 1.198 1370 Y CB 1.033 39.325 38.460 -0.280 0.000 1.182 1370 Y HN 0.526 nan 8.280 nan 0.000 0.502 1371 R N 4.241 124.336 120.500 -0.674 0.000 3.192 1371 R HA 0.210 4.550 4.340 -0.001 0.000 0.264 1371 R C 0.244 176.262 176.300 -0.470 0.000 1.464 1371 R CA 0.150 55.997 56.100 -0.422 0.000 1.309 1371 R CB -0.328 29.777 30.300 -0.325 0.000 1.283 1371 R HN 0.806 nan 8.270 nan 0.000 0.584 1372 G N -0.769 107.770 108.800 -0.436 0.000 2.735 1372 G HA2 0.113 4.073 3.960 -0.001 0.000 0.301 1372 G HA3 0.113 4.073 3.960 -0.001 0.000 0.301 1372 G C -0.261 174.576 174.900 -0.105 0.000 1.279 1372 G CA -0.527 44.486 45.100 -0.145 0.000 1.019 1372 G HN -0.012 nan 8.290 nan 0.000 0.497 1373 D N -0.659 119.650 120.400 -0.152 0.000 2.305 1373 D HA 0.082 4.722 4.640 -0.001 0.000 0.206 1373 D C 0.738 176.671 176.300 -0.613 0.000 0.974 1373 D CA 0.846 54.640 54.000 -0.343 0.000 0.871 1373 D CB 0.380 41.089 40.800 -0.151 0.000 0.947 1373 D HN 0.187 nan 8.370 nan 0.000 0.516 1374 Q N 0.756 120.376 119.800 -0.299 0.000 2.301 1374 Q HA 0.281 4.621 4.340 -0.001 0.000 0.267 1374 Q C -0.838 175.123 176.000 -0.065 0.000 1.035 1374 Q CA -0.610 55.081 55.803 -0.188 0.000 0.856 1374 Q CB 1.204 29.899 28.738 -0.072 0.000 1.337 1374 Q HN -0.055 nan 8.270 nan 0.000 0.450 1375 D N 1.450 121.889 120.400 0.065 0.000 2.349 1375 D HA 0.241 4.880 4.640 -0.001 0.000 0.266 1375 D C -0.069 176.169 176.300 -0.103 0.000 1.293 1375 D CA 0.216 54.267 54.000 0.086 0.000 0.926 1375 D CB 0.314 41.180 40.800 0.111 0.000 1.090 1375 D HN 0.519 nan 8.370 nan 0.000 0.502 1376 A N 2.963 125.571 122.820 -0.354 0.000 2.587 1376 A HA 0.232 4.551 4.320 -0.001 0.000 0.233 1376 A C 1.464 178.970 177.584 -0.130 0.000 1.049 1376 A CA 0.163 51.879 52.037 -0.536 0.000 0.754 1376 A CB -0.042 18.365 19.000 -0.989 0.000 0.977 1376 A HN 0.645 nan 8.150 nan 0.000 0.509 1377 T N 1.271 115.822 114.554 -0.003 0.000 5.825 1377 T HA 0.193 4.542 4.350 -0.001 0.000 0.383 1377 T C 0.859 175.625 174.700 0.111 0.000 0.920 1377 T CA 0.657 62.809 62.100 0.085 0.000 0.947 1377 T CB -0.106 68.871 68.868 0.182 0.000 1.292 1377 T HN 0.665 nan 8.240 nan 0.000 0.356 1378 M N 1.742 121.423 119.600 0.135 0.000 2.156 1378 M HA 0.348 4.828 4.480 -0.001 0.000 0.345 1378 M C -0.892 175.505 176.300 0.162 0.000 1.398 1378 M CA -0.026 55.319 55.300 0.074 0.000 1.148 1378 M CB -0.100 32.439 32.600 -0.102 0.000 1.663 1378 M HN 0.605 nan 8.290 nan 0.000 0.464 1379 S N 4.242 119.999 115.700 0.094 0.000 2.786 1379 S HA 0.806 5.275 4.470 -0.001 0.000 0.307 1379 S C -0.837 173.695 174.600 -0.113 0.000 1.121 1379 S CA -0.721 57.475 58.200 -0.007 0.000 0.975 1379 S CB 1.367 64.573 63.200 0.009 0.000 1.220 1379 S HN 0.637 nan 8.310 nan 0.000 0.550 1380 I N 0.804 121.132 120.570 -0.403 0.000 2.647 1380 I HA 0.423 4.592 4.170 -0.001 0.000 0.295 1380 I C -1.196 174.636 176.117 -0.476 0.000 1.078 1380 I CA -0.168 60.853 61.300 -0.466 0.000 1.048 1380 I CB 1.553 39.178 38.000 -0.624 0.000 1.239 1380 I HN 0.367 nan 8.210 nan 0.000 0.421 1381 L N 4.680 125.696 121.223 -0.344 0.000 2.301 1381 L HA 0.399 4.739 4.340 -0.001 0.000 0.278 1381 L C -0.816 175.935 176.870 -0.198 0.000 1.022 1381 L CA -0.413 54.288 54.840 -0.231 0.000 0.854 1381 L CB 0.884 42.850 42.059 -0.156 0.000 1.226 1381 L HN 0.506 nan 8.230 nan 0.000 0.429 1382 D N 4.858 125.188 120.400 -0.116 0.000 2.347 1382 D HA 0.393 5.033 4.640 -0.001 0.000 0.235 1382 D C -0.457 175.827 176.300 -0.027 0.000 1.149 1382 D CA -0.019 53.949 54.000 -0.053 0.000 0.850 1382 D CB 0.754 41.580 40.800 0.043 0.000 1.061 1382 D HN 0.240 nan 8.370 nan 0.000 0.487 1383 I N 2.159 122.717 120.570 -0.021 0.000 2.441 1383 I HA 0.279 4.448 4.170 -0.001 0.000 0.295 1383 I C 0.015 176.168 176.117 0.059 0.000 0.994 1383 I CA -0.875 60.452 61.300 0.044 0.000 1.144 1383 I CB 1.919 39.966 38.000 0.078 0.000 1.314 1383 I HN 0.308 nan 8.210 nan 0.000 0.445 1384 S N 6.571 122.334 115.700 0.106 0.000 2.596 1384 S HA 0.570 5.040 4.470 -0.001 0.000 0.318 1384 S C -0.348 174.334 174.600 0.136 0.000 1.097 1384 S CA -1.011 57.239 58.200 0.082 0.000 1.080 1384 S CB 1.238 64.464 63.200 0.042 0.000 0.991 1384 S HN 0.394 nan 8.310 nan 0.000 0.471 1385 M N 2.740 122.419 119.600 0.131 0.000 2.207 1385 M HA 0.248 4.728 4.480 -0.001 0.000 0.311 1385 M C 0.326 176.685 176.300 0.098 0.000 1.127 1385 M CA 0.418 55.825 55.300 0.179 0.000 1.181 1385 M CB -0.139 32.569 32.600 0.181 0.000 1.409 1385 M HN 0.675 nan 8.290 nan 0.000 0.461 1386 M N 0.963 120.624 119.600 0.101 0.000 2.143 1386 M HA 0.071 4.551 4.480 -0.001 0.000 0.348 1386 M C 0.566 177.003 176.300 0.228 0.000 1.375 1386 M CA -0.104 55.232 55.300 0.060 0.000 1.124 1386 M CB 0.214 32.761 32.600 -0.088 0.000 1.669 1386 M HN 0.673 nan 8.290 nan 0.000 0.469 1387 T N 3.519 118.145 114.554 0.120 0.000 2.419 1387 T HA 0.039 4.389 4.350 -0.001 0.000 0.229 1387 T C 1.091 175.842 174.700 0.085 0.000 1.095 1387 T CA 1.765 63.908 62.100 0.072 0.000 1.402 1387 T CB -0.676 68.222 68.868 0.049 0.000 1.078 1387 T HN 1.068 nan 8.240 nan 0.000 0.485 1388 G N 3.780 112.563 108.800 -0.030 0.000 2.145 1388 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.145 1388 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.145 1388 G C -0.264 174.407 174.900 -0.382 0.000 1.017 1388 G CA -0.455 44.452 45.100 -0.323 0.000 0.682 1388 G HN 0.688 nan 8.290 nan 0.000 0.504 1389 F N 0.457 120.469 119.950 0.104 0.000 2.561 1389 F HA 0.740 5.267 4.527 -0.001 0.000 0.313 1389 F C 0.191 176.067 175.800 0.126 0.000 1.126 1389 F CA -0.270 57.839 58.000 0.181 0.000 0.918 1389 F CB 2.447 41.514 39.000 0.112 0.000 1.199 1389 F HN 0.408 nan 8.300 nan 0.000 0.444 1390 A N 4.456 127.317 122.820 0.069 0.000 2.343 1390 A HA 0.867 5.186 4.320 -0.001 0.000 0.316 1390 A C -2.925 174.519 177.584 -0.234 0.000 1.104 1390 A CA -2.072 49.746 52.037 -0.366 0.000 0.768 1390 A CB 1.215 19.498 19.000 -1.194 0.000 1.213 1390 A HN 0.372 nan 8.150 nan 0.000 0.456 1391 P HA 0.071 nan 4.420 nan 0.000 0.266 1391 P C -0.637 176.786 177.300 0.206 0.000 1.195 1391 P CA 0.129 63.320 63.100 0.152 0.000 0.768 1391 P CB 0.472 32.162 31.700 -0.017 0.000 0.838 1392 D N 1.273 121.891 120.400 0.363 0.000 2.401 1392 D HA -0.019 4.620 4.640 -0.001 0.000 0.254 1392 D C 1.244 177.682 176.300 0.230 0.000 1.192 1392 D CA 0.347 54.606 54.000 0.433 0.000 0.885 1392 D CB 0.535 41.588 40.800 0.421 0.000 1.147 1392 D HN 0.350 nan 8.370 nan 0.000 0.478 1393 T N 1.077 115.759 114.554 0.214 0.000 2.652 1393 T HA -0.239 4.110 4.350 -0.001 0.000 0.267 1393 T C 1.258 175.994 174.700 0.060 0.000 1.039 1393 T CA 1.321 63.480 62.100 0.097 0.000 1.153 1393 T CB -0.223 68.695 68.868 0.083 0.000 0.863 1393 T HN 0.319 nan 8.240 nan 0.000 0.428 1394 D N 1.755 122.201 120.400 0.077 0.000 2.123 1394 D HA -0.070 4.569 4.640 -0.001 0.000 0.196 1394 D C 1.951 178.284 176.300 0.055 0.000 0.992 1394 D CA 1.360 55.393 54.000 0.055 0.000 0.833 1394 D CB -0.638 40.197 40.800 0.058 0.000 0.954 1394 D HN 0.444 nan 8.370 nan 0.000 0.455 1395 D N -0.123 120.329 120.400 0.087 0.000 2.178 1395 D HA -0.060 4.579 4.640 -0.001 0.000 0.202 1395 D C 2.228 178.543 176.300 0.026 0.000 0.974 1395 D CA 0.312 54.364 54.000 0.086 0.000 0.841 1395 D CB -0.219 40.678 40.800 0.163 0.000 0.953 1395 D HN 0.219 nan 8.370 nan 0.000 0.478 1396 L N 0.094 121.305 121.223 -0.021 0.000 2.093 1396 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 1396 L C 2.139 178.971 176.870 -0.064 0.000 1.085 1396 L CA 0.943 55.724 54.840 -0.098 0.000 0.755 1396 L CB -0.222 41.758 42.059 -0.131 0.000 0.904 1396 L HN -0.087 nan 8.230 nan 0.000 0.435 1397 K N -0.079 120.303 120.400 -0.031 0.000 2.097 1397 K HA -0.225 4.095 4.320 -0.001 0.000 0.206 1397 K C 2.056 178.650 176.600 -0.010 0.000 1.049 1397 K CA 1.140 57.414 56.287 -0.021 0.000 0.933 1397 K CB -0.289 32.206 32.500 -0.007 0.000 0.717 1397 K HN 0.097 nan 8.250 nan 0.000 0.442 1398 Q N 0.553 120.354 119.800 0.002 0.000 2.050 1398 Q HA -0.017 4.322 4.340 -0.001 0.000 0.202 1398 Q C 1.739 177.743 176.000 0.008 0.000 0.980 1398 Q CA 1.558 57.368 55.803 0.011 0.000 0.840 1398 Q CB -0.181 28.572 28.738 0.025 0.000 0.898 1398 Q HN 0.314 nan 8.270 nan 0.000 0.424 1399 L N -0.279 120.943 121.223 -0.002 0.000 2.201 1399 L HA -0.055 4.285 4.340 -0.001 0.000 0.212 1399 L C 2.292 179.155 176.870 -0.012 0.000 1.105 1399 L CA 0.769 55.605 54.840 -0.006 0.000 0.775 1399 L CB -0.643 41.401 42.059 -0.025 0.000 0.913 1399 L HN 0.288 nan 8.230 nan 0.000 0.440 1400 A N 0.619 123.422 122.820 -0.028 0.000 1.854 1400 A HA -0.171 4.149 4.320 -0.001 0.000 0.214 1400 A C 1.996 179.589 177.584 0.015 0.000 1.192 1400 A CA 1.606 53.627 52.037 -0.027 0.000 0.611 1400 A CB -0.678 18.285 19.000 -0.062 0.000 0.832 1400 A HN 0.466 nan 8.150 nan 0.000 0.442 1401 N N 0.092 118.799 118.700 0.012 0.000 2.289 1401 N HA -0.043 4.696 4.740 -0.001 0.000 0.184 1401 N C 1.040 176.568 175.510 0.029 0.000 1.016 1401 N CA 0.220 53.284 53.050 0.023 0.000 0.872 1401 N CB -0.237 38.259 38.487 0.015 0.000 0.973 1401 N HN 0.478 nan 8.380 nan 0.000 0.433 1402 G N 1.152 109.967 108.800 0.026 0.000 2.432 1402 G HA2 0.210 4.169 3.960 -0.001 0.000 0.239 1402 G HA3 0.210 4.169 3.960 -0.001 0.000 0.239 1402 G C 0.009 174.931 174.900 0.038 0.000 1.291 1402 G CA -0.355 44.762 45.100 0.028 0.000 0.863 1402 G HN 0.006 nan 8.290 nan 0.000 0.560 1403 V N 2.388 122.321 119.914 0.032 0.000 3.096 1403 V HA 0.186 4.305 4.120 -0.001 0.000 0.306 1403 V C 1.004 177.120 176.094 0.037 0.000 1.088 1403 V CA 1.008 63.328 62.300 0.033 0.000 1.129 1403 V CB 0.833 32.669 31.823 0.021 0.000 1.014 1403 V HN 1.019 nan 8.190 nan 0.000 0.486 1404 D N 1.600 122.023 120.400 0.038 0.000 2.946 1404 D HA -0.150 4.489 4.640 -0.001 0.000 0.202 1404 D C 0.240 176.577 176.300 0.063 0.000 1.068 1404 D CA 1.453 55.478 54.000 0.041 0.000 1.011 1404 D CB -0.697 40.124 40.800 0.034 0.000 1.105 1404 D HN 0.743 nan 8.370 nan 0.000 0.425 1405 R N -0.600 119.948 120.500 0.080 0.000 2.795 1405 R HA 0.666 5.005 4.340 -0.001 0.000 0.275 1405 R C -1.100 175.309 176.300 0.181 0.000 0.981 1405 R CA -0.826 55.337 56.100 0.105 0.000 0.917 1405 R CB 2.526 32.861 30.300 0.058 0.000 1.202 1405 R HN 0.093 nan 8.270 nan 0.000 0.469 1406 Y N 2.016 122.349 120.300 0.056 0.000 2.442 1406 Y HA 0.500 5.049 4.550 -0.001 0.000 0.330 1406 Y C -1.750 174.231 175.900 0.134 0.000 1.100 1406 Y CA -0.742 57.401 58.100 0.072 0.000 1.034 1406 Y CB 1.460 39.951 38.460 0.051 0.000 1.285 1406 Y HN 0.515 nan 8.280 nan 0.000 0.440 1407 I N 6.087 126.251 120.570 -0.678 0.000 2.468 1407 I HA 0.268 4.437 4.170 -0.001 0.000 0.284 1407 I C -0.272 175.386 176.117 -0.764 0.000 1.038 1407 I CA -0.963 59.994 61.300 -0.572 0.000 1.083 1407 I CB 1.956 39.789 38.000 -0.277 0.000 1.223 1407 I HN 0.761 nan 8.210 nan 0.000 0.443 1408 S N 4.712 120.001 115.700 -0.685 0.000 2.558 1408 S HA -0.045 4.424 4.470 -0.001 0.000 0.291 1408 S C 1.195 175.742 174.600 -0.088 0.000 1.306 1408 S CA -0.234 57.798 58.200 -0.280 0.000 1.056 1408 S CB 1.108 64.350 63.200 0.071 0.000 0.836 1408 S HN 0.856 nan 8.310 nan 0.000 0.504 1409 K N 1.650 122.053 120.400 0.004 0.000 2.160 1409 K HA -0.243 4.077 4.320 -0.001 0.000 0.206 1409 K C 1.691 178.316 176.600 0.041 0.000 1.047 1409 K CA 1.611 57.909 56.287 0.018 0.000 0.930 1409 K CB -0.382 32.147 32.500 0.047 0.000 0.720 1409 K HN 0.841 nan 8.250 nan 0.000 0.450 1410 Y N 1.316 121.604 120.300 -0.021 0.000 2.256 1410 Y HA -0.229 4.320 4.550 -0.001 0.000 0.288 1410 Y C 2.042 177.920 175.900 -0.037 0.000 1.155 1410 Y CA 2.062 60.153 58.100 -0.015 0.000 1.203 1410 Y CB 0.078 38.543 38.460 0.008 0.000 0.980 1410 Y HN 0.217 nan 8.280 nan 0.000 0.530 1411 E N -0.526 119.737 120.200 0.104 0.000 2.230 1411 E HA -0.060 4.289 4.350 -0.001 0.000 0.192 1411 E C 1.690 178.243 176.600 -0.078 0.000 0.987 1411 E CA 0.564 56.971 56.400 0.011 0.000 0.841 1411 E CB -0.190 29.508 29.700 -0.004 0.000 0.783 1411 E HN 0.370 nan 8.360 nan 0.000 0.481 1412 L N 1.325 122.500 121.223 -0.081 0.000 1.937 1412 L HA -0.128 4.212 4.340 -0.001 0.000 0.213 1412 L C 0.970 177.786 176.870 -0.090 0.000 1.077 1412 L CA 1.982 56.771 54.840 -0.085 0.000 0.758 1412 L CB -0.885 41.133 42.059 -0.069 0.000 0.888 1412 L HN 0.233 nan 8.230 nan 0.000 0.433 1413 D N -0.669 119.670 120.400 -0.102 0.000 2.982 1413 D HA -0.045 4.595 4.640 -0.001 0.000 0.238 1413 D C 0.875 177.090 176.300 -0.143 0.000 1.168 1413 D CA 0.223 54.160 54.000 -0.104 0.000 0.947 1413 D CB -0.484 40.259 40.800 -0.094 0.000 1.147 1413 D HN 0.292 nan 8.370 nan 0.000 0.450 1414 K N 0.194 120.510 120.400 -0.139 0.000 2.379 1414 K HA 0.337 4.657 4.320 -0.001 0.000 0.194 1414 K C 0.540 177.071 176.600 -0.116 0.000 1.031 1414 K CA 0.401 56.596 56.287 -0.154 0.000 1.037 1414 K CB 0.169 32.577 32.500 -0.154 0.000 0.824 1414 K HN 0.398 nan 8.250 nan 0.000 0.516 1415 A N 0.606 123.379 122.820 -0.077 0.000 2.770 1415 A HA -0.252 4.067 4.320 -0.001 0.000 0.674 1415 A C 0.443 178.008 177.584 -0.032 0.000 0.315 1415 A CA 0.085 52.103 52.037 -0.032 0.000 0.133 1415 A CB -1.452 17.521 19.000 -0.044 0.000 3.903 1415 A HN 0.294 nan 8.150 nan 0.000 0.543 1416 F N 1.142 120.988 119.950 -0.173 0.000 2.333 1416 F HA -0.070 4.457 4.527 -0.001 0.000 0.300 1416 F C 2.630 178.176 175.800 -0.423 0.000 1.083 1416 F CA 2.469 60.317 58.000 -0.253 0.000 1.395 1416 F CB -0.139 38.720 39.000 -0.235 0.000 1.056 1416 F HN 0.841 nan 8.300 nan 0.000 0.529 1417 S N -0.719 114.872 115.700 -0.182 0.000 2.353 1417 S HA -0.221 4.249 4.470 -0.001 0.000 0.222 1417 S C 0.651 175.083 174.600 -0.280 0.000 1.035 1417 S CA 1.782 59.840 58.200 -0.235 0.000 1.025 1417 S CB -0.304 62.829 63.200 -0.111 0.000 0.902 1417 S HN 0.398 nan 8.310 nan 0.000 0.440 1418 D N -0.453 119.817 120.400 -0.217 0.000 2.323 1418 D HA 0.380 5.020 4.640 -0.001 0.000 0.242 1418 D C -0.401 175.806 176.300 -0.156 0.000 1.347 1418 D CA -0.339 53.560 54.000 -0.168 0.000 0.988 1418 D CB 0.578 41.304 40.800 -0.123 0.000 1.314 1418 D HN 0.240 nan 8.370 nan 0.000 0.564 1419 R N 3.460 123.866 120.500 -0.157 0.000 2.452 1419 R HA 0.019 4.358 4.340 -0.001 0.000 0.361 1419 R C 0.446 176.694 176.300 -0.086 0.000 0.918 1419 R CA -0.092 55.933 56.100 -0.125 0.000 1.080 1419 R CB -0.133 30.076 30.300 -0.153 0.000 1.471 1419 R HN 0.297 nan 8.270 nan 0.000 0.633 1420 N N -0.249 118.413 118.700 -0.063 0.000 2.272 1420 N HA -0.112 4.627 4.740 -0.001 0.000 0.185 1420 N C 0.341 175.843 175.510 -0.012 0.000 1.014 1420 N CA 1.605 54.642 53.050 -0.021 0.000 0.870 1420 N CB -0.203 38.264 38.487 -0.034 0.000 0.975 1420 N HN 0.255 nan 8.380 nan 0.000 0.433 1421 T N -1.638 112.897 114.554 -0.033 0.000 2.779 1421 T HA 0.596 4.945 4.350 -0.001 0.000 0.280 1421 T C -0.514 174.160 174.700 -0.043 0.000 0.987 1421 T CA -1.055 61.029 62.100 -0.027 0.000 0.966 1421 T CB 1.658 70.507 68.868 -0.032 0.000 0.933 1421 T HN 0.108 nan 8.240 nan 0.000 0.442 1422 L N 3.408 124.600 121.223 -0.052 0.000 2.354 1422 L HA 0.766 5.105 4.340 -0.001 0.000 0.269 1422 L C -1.303 175.485 176.870 -0.137 0.000 1.005 1422 L CA -1.272 53.506 54.840 -0.104 0.000 0.819 1422 L CB 1.658 43.632 42.059 -0.143 0.000 1.311 1422 L HN 0.807 nan 8.230 nan 0.000 0.423 1423 I N 5.959 126.411 120.570 -0.197 0.000 2.468 1423 I HA 0.375 4.544 4.170 -0.001 0.000 0.284 1423 I C -0.912 174.946 176.117 -0.433 0.000 1.038 1423 I CA -0.284 60.817 61.300 -0.332 0.000 1.083 1423 I CB 1.552 39.324 38.000 -0.381 0.000 1.223 1423 I HN 0.448 nan 8.210 nan 0.000 0.443 1424 I N 6.608 126.945 120.570 -0.388 0.000 2.337 1424 I HA 0.258 4.428 4.170 -0.001 0.000 0.285 1424 I C -0.695 175.266 176.117 -0.261 0.000 1.041 1424 I CA -0.624 60.508 61.300 -0.280 0.000 1.199 1424 I CB 0.461 38.353 38.000 -0.180 0.000 1.370 1424 I HN 0.396 nan 8.210 nan 0.000 0.470 1425 Y N 6.442 126.738 120.300 -0.007 0.000 2.402 1425 Y HA 0.310 4.859 4.550 -0.001 0.000 0.333 1425 Y C 0.269 176.193 175.900 0.040 0.000 1.076 1425 Y CA -0.175 57.949 58.100 0.040 0.000 1.299 1425 Y CB 0.465 39.034 38.460 0.182 0.000 1.197 1425 Y HN 0.365 nan 8.280 nan 0.000 0.517 1426 L N 3.666 124.966 121.223 0.129 0.000 2.317 1426 L HA 0.313 4.652 4.340 -0.001 0.000 0.281 1426 L C 0.216 177.134 176.870 0.080 0.000 1.024 1426 L CA -0.675 54.218 54.840 0.087 0.000 0.810 1426 L CB 1.509 43.597 42.059 0.049 0.000 1.240 1426 L HN 0.620 nan 8.230 nan 0.000 0.427 1427 D N 1.303 121.740 120.400 0.061 0.000 2.289 1427 D HA -0.002 4.638 4.640 -0.001 0.000 0.207 1427 D C 0.057 176.376 176.300 0.032 0.000 0.966 1427 D CA 0.991 55.008 54.000 0.028 0.000 0.868 1427 D CB 0.319 41.128 40.800 0.014 0.000 0.943 1427 D HN 0.521 nan 8.370 nan 0.000 0.514 1428 K N -1.496 118.932 120.400 0.047 0.000 2.660 1428 K HA 0.489 4.809 4.320 -0.001 0.000 0.285 1428 K C -1.514 175.127 176.600 0.067 0.000 0.997 1428 K CA -1.061 55.254 56.287 0.047 0.000 0.861 1428 K CB 1.762 34.282 32.500 0.033 0.000 1.469 1428 K HN -0.175 nan 8.250 nan 0.000 0.395 1429 V N -1.696 118.262 119.914 0.073 0.000 2.569 1429 V HA 0.546 4.665 4.120 -0.001 0.000 0.301 1429 V C -0.037 176.118 176.094 0.100 0.000 1.044 1429 V CA -0.722 61.643 62.300 0.108 0.000 0.874 1429 V CB 1.240 33.185 31.823 0.203 0.000 1.002 1429 V HN 0.895 nan 8.190 nan 0.000 0.424 1430 S N 2.249 117.999 115.700 0.083 0.000 2.566 1430 S HA 0.171 4.640 4.470 -0.001 0.000 0.280 1430 S C 0.955 175.623 174.600 0.113 0.000 1.343 1430 S CA 0.994 59.231 58.200 0.061 0.000 1.036 1430 S CB 0.262 63.458 63.200 -0.006 0.000 0.866 1430 S HN 1.390 nan 8.310 nan 0.000 0.526 1431 H N 0.761 119.875 119.070 0.074 0.000 2.740 1431 H HA 0.464 5.019 4.556 -0.001 0.000 0.265 1431 H C 1.504 176.857 175.328 0.041 0.000 0.978 1431 H CA 0.528 56.626 56.048 0.084 0.000 1.198 1431 H CB -0.092 29.745 29.762 0.124 0.000 1.467 1431 H HN 0.344 nan 8.280 nan 0.000 0.511 1432 S N 0.018 115.443 115.700 -0.458 0.000 2.324 1432 S HA 0.031 4.500 4.470 -0.001 0.000 0.210 1432 S C 0.555 175.088 174.600 -0.112 0.000 1.027 1432 S CA 0.934 58.956 58.200 -0.297 0.000 0.945 1432 S CB 0.063 63.062 63.200 -0.335 0.000 0.908 1432 S HN 0.668 nan 8.310 nan 0.000 0.496 1433 E N 1.193 121.339 120.200 -0.090 0.000 2.518 1433 E HA 0.533 4.882 4.350 -0.001 0.000 0.248 1433 E C -1.579 175.016 176.600 -0.009 0.000 1.028 1433 E CA -0.918 55.460 56.400 -0.037 0.000 0.922 1433 E CB -0.030 29.651 29.700 -0.032 0.000 1.299 1433 E HN -0.112 nan 8.360 nan 0.000 0.457 1434 D N 0.297 120.700 120.400 0.005 0.000 2.233 1434 D HA 0.292 4.932 4.640 -0.001 0.000 0.240 1434 D C -0.970 175.345 176.300 0.025 0.000 1.074 1434 D CA -0.441 53.573 54.000 0.024 0.000 0.838 1434 D CB 0.850 41.664 40.800 0.023 0.000 1.124 1434 D HN 0.229 nan 8.370 nan 0.000 0.475 1435 D N 1.546 121.971 120.400 0.041 0.000 2.365 1435 D HA 0.185 4.825 4.640 -0.001 0.000 0.237 1435 D C -0.348 175.974 176.300 0.037 0.000 1.190 1435 D CA -0.114 53.909 54.000 0.039 0.000 0.867 1435 D CB 0.392 41.223 40.800 0.052 0.000 1.050 1435 D HN 0.194 nan 8.370 nan 0.000 0.491 1436 c N 3.188 121.803 118.600 0.024 0.000 2.382 1436 c HA 0.765 5.334 4.570 -0.001 0.000 0.327 1436 c C -0.129 173.973 174.090 0.019 0.000 1.250 1436 c CA -0.852 55.486 56.329 0.017 0.000 1.707 1436 c CB -0.017 42.495 42.510 0.004 0.000 2.272 1436 c HN 0.542 nan 8.230 nan 0.000 0.506 1437 L N 1.149 122.385 121.223 0.023 0.000 2.359 1437 L HA 1.100 5.440 4.340 -0.001 0.000 0.256 1437 L C -0.465 176.426 176.870 0.036 0.000 1.026 1437 L CA -0.830 54.036 54.840 0.043 0.000 0.828 1437 L CB 1.347 43.448 42.059 0.069 0.000 1.406 1437 L HN 0.798 nan 8.230 nan 0.000 0.413 1438 A N 1.066 123.922 122.820 0.060 0.000 2.574 1438 A HA 0.909 5.228 4.320 -0.001 0.000 0.297 1438 A C -1.416 176.229 177.584 0.101 0.000 1.062 1438 A CA -0.421 51.606 52.037 -0.015 0.000 0.686 1438 A CB 1.310 20.260 19.000 -0.084 0.000 1.285 1438 A HN 1.254 nan 8.150 nan 0.000 0.403 1439 F N -0.664 119.248 119.950 -0.064 0.000 2.626 1439 F HA 0.786 5.312 4.527 -0.001 0.000 0.311 1439 F C -0.489 175.277 175.800 -0.057 0.000 1.088 1439 F CA -1.114 56.859 58.000 -0.045 0.000 0.949 1439 F CB 1.294 40.272 39.000 -0.036 0.000 1.322 1439 F HN 0.460 nan 8.300 nan 0.000 0.461 1440 K N 1.711 122.180 120.400 0.115 0.000 2.185 1440 K HA 0.682 5.002 4.320 -0.001 0.000 0.271 1440 K C -0.930 175.684 176.600 0.022 0.000 1.013 1440 K CA -0.912 55.357 56.287 -0.030 0.000 0.943 1440 K CB 1.907 34.392 32.500 -0.025 0.000 0.998 1440 K HN 0.674 nan 8.250 nan 0.000 0.468 1441 V N -0.907 118.933 119.914 -0.124 0.000 2.709 1441 V HA 0.469 4.589 4.120 -0.001 0.000 0.308 1441 V C -0.814 175.304 176.094 0.041 0.000 1.062 1441 V CA -0.922 61.412 62.300 0.056 0.000 0.901 1441 V CB 1.660 33.558 31.823 0.124 0.000 1.003 1441 V HN 0.727 nan 8.190 nan 0.000 0.425 1442 H N 2.528 121.911 119.070 0.523 0.000 2.621 1442 H HA 0.516 5.071 4.556 -0.001 0.000 0.360 1442 H C -1.060 174.450 175.328 0.304 0.000 1.163 1442 H CA -0.564 55.784 56.048 0.499 0.000 1.194 1442 H CB 2.702 32.808 29.762 0.573 0.000 1.649 1442 H HN 0.842 nan 8.280 nan 0.000 0.532 1443 Q N 1.811 121.661 119.800 0.083 0.000 2.303 1443 Q HA 0.119 4.459 4.340 -0.001 0.000 0.257 1443 Q C -0.602 175.402 176.000 0.006 0.000 0.941 1443 Q CA -0.540 54.969 55.803 -0.489 0.000 0.931 1443 Q CB 0.534 28.845 28.738 -0.711 0.000 1.215 1443 Q HN 0.781 nan 8.270 nan 0.000 0.437 1444 Y N 2.417 122.700 120.300 -0.029 0.000 2.471 1444 Y HA 0.439 4.989 4.550 -0.001 0.000 0.249 1444 Y C -0.844 175.145 175.900 0.147 0.000 1.116 1444 Y CA -0.689 57.488 58.100 0.129 0.000 1.240 1444 Y CB 0.708 39.351 38.460 0.305 0.000 1.251 1444 Y HN 0.432 nan 8.280 nan 0.000 0.527 1445 F N 3.688 123.195 119.950 -0.738 0.000 2.824 1445 F HA 0.337 4.864 4.527 -0.001 0.000 0.375 1445 F C -0.329 175.248 175.800 -0.373 0.000 1.190 1445 F CA -1.566 56.065 58.000 -0.616 0.000 1.180 1445 F CB 0.399 38.834 39.000 -0.942 0.000 1.477 1445 F HN 0.087 nan 8.300 nan 0.000 0.542 1446 N N 3.785 122.297 118.700 -0.313 0.000 2.447 1446 N HA 0.297 5.036 4.740 -0.001 0.000 0.263 1446 N C -1.096 174.318 175.510 -0.159 0.000 1.226 1446 N CA 0.562 53.493 53.050 -0.198 0.000 0.906 1446 N CB 1.231 39.619 38.487 -0.166 0.000 1.060 1446 N HN 0.444 nan 8.380 nan 0.000 0.468 1447 V N 1.309 121.189 119.914 -0.057 0.000 3.048 1447 V HA 0.476 4.596 4.120 -0.001 0.000 0.303 1447 V C -0.722 175.390 176.094 0.030 0.000 1.214 1447 V CA -1.029 61.266 62.300 -0.009 0.000 0.984 1447 V CB 1.698 33.545 31.823 0.040 0.000 1.054 1447 V HN 0.772 nan 8.190 nan 0.000 0.430 1448 E N 5.303 125.524 120.200 0.035 0.000 2.331 1448 E HA 0.650 5.000 4.350 -0.001 0.000 0.272 1448 E C -0.440 176.209 176.600 0.083 0.000 1.036 1448 E CA -0.574 55.858 56.400 0.054 0.000 0.864 1448 E CB 1.272 30.996 29.700 0.040 0.000 1.035 1448 E HN 1.095 nan 8.360 nan 0.000 0.408 1449 L N 2.097 123.379 121.223 0.099 0.000 3.162 1449 L HA -0.234 4.106 4.340 -0.001 0.000 0.673 1449 L C -0.512 176.452 176.870 0.157 0.000 1.045 1449 L CA 0.074 54.990 54.840 0.125 0.000 1.297 1449 L CB -1.626 40.496 42.059 0.105 0.000 1.732 1449 L HN 0.698 nan 8.230 nan 0.000 0.855 1450 I N -0.548 120.134 120.570 0.186 0.000 2.577 1450 I HA 0.495 4.665 4.170 -0.001 0.000 0.300 1450 I C 0.440 176.674 176.117 0.195 0.000 0.990 1450 I CA -0.139 61.268 61.300 0.178 0.000 1.283 1450 I CB 1.122 39.210 38.000 0.148 0.000 1.411 1450 I HN 0.447 nan 8.210 nan 0.000 0.515 1451 Q N 5.181 125.075 119.800 0.156 0.000 2.288 1451 Q HA 0.424 4.764 4.340 -0.001 0.000 0.258 1451 Q C -2.335 173.697 176.000 0.054 0.000 0.957 1451 Q CA -1.894 53.973 55.803 0.106 0.000 0.919 1451 Q CB 0.904 29.712 28.738 0.117 0.000 1.185 1451 Q HN 0.496 nan 8.270 nan 0.000 0.408 1452 P HA -0.018 nan 4.420 nan 0.000 0.264 1452 P C -0.302 176.898 177.300 -0.167 0.000 1.193 1452 P CA 0.172 63.261 63.100 -0.020 0.000 0.763 1452 P CB 0.686 32.374 31.700 -0.019 0.000 0.810 1453 G N 1.893 110.336 108.800 -0.594 0.000 2.588 1453 G HA2 0.556 4.515 3.960 -0.001 0.000 0.278 1453 G HA3 0.556 4.515 3.960 -0.001 0.000 0.278 1453 G C -0.931 173.814 174.900 -0.258 0.000 1.307 1453 G CA -0.081 44.617 45.100 -0.670 0.000 1.016 1453 G HN 0.678 nan 8.290 nan 0.000 0.503 1454 A N -1.837 120.992 122.820 0.016 0.000 2.577 1454 A HA 0.608 4.927 4.320 -0.001 0.000 0.297 1454 A C -1.387 176.221 177.584 0.041 0.000 1.060 1454 A CA -0.391 51.625 52.037 -0.035 0.000 0.697 1454 A CB 1.716 20.610 19.000 -0.176 0.000 1.281 1454 A HN 1.244 nan 8.150 nan 0.000 0.402 1455 V N 1.892 121.770 119.914 -0.060 0.000 2.577 1455 V HA 0.589 4.708 4.120 -0.001 0.000 0.303 1455 V C -0.157 175.878 176.094 -0.099 0.000 1.042 1455 V CA -0.593 61.685 62.300 -0.036 0.000 0.872 1455 V CB 1.851 33.669 31.823 -0.008 0.000 0.998 1455 V HN 0.917 nan 8.190 nan 0.000 0.423 1456 K N 3.661 124.023 120.400 -0.063 0.000 2.270 1456 K HA 0.832 5.152 4.320 -0.001 0.000 0.255 1456 K C -1.126 175.452 176.600 -0.038 0.000 0.936 1456 K CA -0.568 55.696 56.287 -0.039 0.000 0.809 1456 K CB 2.153 34.661 32.500 0.013 0.000 1.131 1456 K HN 0.631 nan 8.250 nan 0.000 0.427 1457 V N 1.465 121.321 119.914 -0.097 0.000 2.680 1457 V HA 0.809 4.929 4.120 -0.001 0.000 0.309 1457 V C -1.362 174.446 176.094 -0.476 0.000 1.052 1457 V CA -0.638 61.456 62.300 -0.344 0.000 0.908 1457 V CB 0.776 32.356 31.823 -0.405 0.000 1.001 1457 V HN 0.902 nan 8.190 nan 0.000 0.431 1458 Y N 1.432 121.284 120.300 -0.748 0.000 2.687 1458 Y HA 0.865 5.415 4.550 -0.001 0.000 0.338 1458 Y C -0.319 175.388 175.900 -0.322 0.000 1.189 1458 Y CA -0.804 56.921 58.100 -0.625 0.000 1.097 1458 Y CB 0.526 38.811 38.460 -0.293 0.000 1.342 1458 Y HN 1.126 nan 8.280 nan 0.000 0.461 1459 A N 1.632 124.441 122.820 -0.018 0.000 2.313 1459 A HA 0.364 4.684 4.320 -0.001 0.000 0.261 1459 A C 0.315 177.888 177.584 -0.018 0.000 1.090 1459 A CA -0.011 51.995 52.037 -0.051 0.000 0.807 1459 A CB -0.228 18.554 19.000 -0.364 0.000 1.055 1459 A HN 1.348 nan 8.150 nan 0.000 0.492 1460 Y N -0.454 119.842 120.300 -0.006 0.000 2.439 1460 Y HA -0.092 4.457 4.550 -0.001 0.000 0.292 1460 Y C 1.401 177.384 175.900 0.138 0.000 1.130 1460 Y CA 1.495 59.657 58.100 0.102 0.000 1.254 1460 Y CB -0.596 37.935 38.460 0.118 0.000 1.000 1460 Y HN 0.691 nan 8.280 nan 0.000 0.554 1461 Y N -0.104 119.794 120.300 -0.669 0.000 2.478 1461 Y HA 0.365 4.914 4.550 -0.001 0.000 0.261 1461 Y C -0.324 175.471 175.900 -0.174 0.000 1.127 1461 Y CA -0.732 57.029 58.100 -0.566 0.000 1.288 1461 Y CB -0.319 37.713 38.460 -0.713 0.000 1.084 1461 Y HN 0.152 nan 8.280 nan 0.000 0.530 1462 N N 0.495 118.917 118.700 -0.464 0.000 2.454 1462 N HA 0.258 4.998 4.740 -0.001 0.000 0.291 1462 N C -0.538 174.900 175.510 -0.121 0.000 1.079 1462 N CA -0.402 52.508 53.050 -0.234 0.000 0.893 1462 N CB 1.562 39.889 38.487 -0.267 0.000 1.512 1462 N HN 0.166 nan 8.380 nan 0.000 0.497 1463 L N 3.461 124.622 121.223 -0.103 0.000 2.357 1463 L HA 0.375 4.715 4.340 -0.001 0.000 0.211 1463 L C 1.637 178.416 176.870 -0.151 0.000 1.075 1463 L CA 1.484 56.204 54.840 -0.200 0.000 0.830 1463 L CB -0.114 41.804 42.059 -0.235 0.000 0.996 1463 L HN 0.607 nan 8.230 nan 0.000 0.467 1464 E N 0.940 121.095 120.200 -0.075 0.000 2.038 1464 E HA -0.223 4.127 4.350 -0.001 0.000 0.195 1464 E C 0.848 177.445 176.600 -0.005 0.000 1.000 1464 E CA 1.588 57.966 56.400 -0.036 0.000 0.803 1464 E CB -0.319 29.374 29.700 -0.012 0.000 0.750 1464 E HN 0.668 nan 8.360 nan 0.000 0.448 1465 E N 1.360 121.577 120.200 0.028 0.000 2.222 1465 E HA 0.108 4.457 4.350 -0.001 0.000 0.312 1465 E C -0.718 175.969 176.600 0.145 0.000 1.263 1465 E CA -0.201 56.256 56.400 0.095 0.000 1.356 1465 E CB -0.210 29.569 29.700 0.132 0.000 1.180 1465 E HN 0.036 nan 8.360 nan 0.000 0.494 1466 S N 0.733 116.474 115.700 0.068 0.000 2.607 1466 S HA 0.589 5.059 4.470 -0.001 0.000 0.303 1466 S C -0.666 173.961 174.600 0.045 0.000 1.086 1466 S CA -1.025 57.197 58.200 0.037 0.000 0.995 1466 S CB 1.964 65.131 63.200 -0.055 0.000 1.084 1466 S HN 0.452 nan 8.310 nan 0.000 0.507 1467 c N 1.896 120.510 118.600 0.024 0.000 2.498 1467 c HA 0.841 5.411 4.570 -0.001 0.000 0.316 1467 c C -0.582 173.491 174.090 -0.028 0.000 1.209 1467 c CA 0.072 56.421 56.329 0.033 0.000 1.518 1467 c CB 0.743 43.315 42.510 0.104 0.000 2.147 1467 c HN 1.002 nan 8.230 nan 0.000 0.483 1468 T N 5.082 119.601 114.554 -0.058 0.000 2.841 1468 T HA 0.569 4.918 4.350 -0.001 0.000 0.285 1468 T C -0.657 173.890 174.700 -0.255 0.000 0.991 1468 T CA -0.473 61.520 62.100 -0.178 0.000 0.966 1468 T CB 1.232 69.959 68.868 -0.234 0.000 0.962 1468 T HN 0.622 nan 8.240 nan 0.000 0.438 1469 R N 1.389 121.717 120.500 -0.287 0.000 2.832 1469 R HA 0.830 5.169 4.340 -0.001 0.000 0.271 1469 R C -1.204 174.873 176.300 -0.372 0.000 0.996 1469 R CA -0.950 55.025 56.100 -0.208 0.000 0.977 1469 R CB 0.802 31.088 30.300 -0.022 0.000 1.168 1469 R HN 0.494 nan 8.270 nan 0.000 0.482 1470 F N 1.076 121.086 119.950 0.100 0.000 2.594 1470 F HA 0.573 5.100 4.527 -0.001 0.000 0.335 1470 F C -0.491 175.416 175.800 0.179 0.000 1.058 1470 F CA -0.683 57.371 58.000 0.090 0.000 0.981 1470 F CB 1.270 40.270 39.000 0.000 0.000 1.289 1470 F HN 0.443 nan 8.300 nan 0.000 0.490 1471 Y N -0.829 119.599 120.300 0.212 0.000 2.442 1471 Y HA 0.602 5.152 4.550 -0.001 0.000 0.330 1471 Y C -1.666 174.303 175.900 0.114 0.000 1.100 1471 Y CA -0.955 57.208 58.100 0.104 0.000 1.034 1471 Y CB 1.192 39.654 38.460 0.003 0.000 1.285 1471 Y HN 0.723 nan 8.280 nan 0.000 0.440 1472 H N 4.622 123.725 119.070 0.054 0.000 2.865 1472 H HA 0.337 4.893 4.556 -0.001 0.000 0.362 1472 H C -2.600 172.737 175.328 0.016 0.000 1.114 1472 H CA -2.338 53.698 56.048 -0.021 0.000 1.208 1472 H CB 3.283 33.017 29.762 -0.046 0.000 1.727 1472 H HN 0.510 nan 8.280 nan 0.000 0.534 1473 P HA -0.072 nan 4.420 nan 0.000 0.223 1473 P C 0.244 177.589 177.300 0.075 0.000 1.144 1473 P CA 1.315 64.354 63.100 -0.101 0.000 0.783 1473 P CB 0.674 32.252 31.700 -0.205 0.000 0.771 1474 E N -1.399 119.009 120.200 0.347 0.000 2.870 1474 E HA 0.115 4.465 4.350 -0.001 0.000 0.185 1474 E C 0.292 176.999 176.600 0.179 0.000 1.084 1474 E CA -0.308 56.251 56.400 0.265 0.000 1.246 1474 E CB -0.076 29.782 29.700 0.264 0.000 1.382 1474 E HN 0.076 nan 8.360 nan 0.000 0.492 1475 K N 1.919 122.386 120.400 0.111 0.000 2.455 1475 K HA -0.097 4.222 4.320 -0.001 0.000 0.269 1475 K C 0.807 177.420 176.600 0.023 0.000 0.972 1475 K CA 0.067 56.315 56.287 -0.065 0.000 0.938 1475 K CB 0.509 32.831 32.500 -0.297 0.000 0.931 1475 K HN 0.049 nan 8.250 nan 0.000 0.507 1476 E N 1.964 122.162 120.200 -0.002 0.000 2.041 1476 E HA -0.266 4.084 4.350 -0.001 0.000 0.227 1476 E C 0.260 176.894 176.600 0.057 0.000 1.039 1476 E CA 2.503 58.916 56.400 0.023 0.000 0.904 1476 E CB 0.033 29.737 29.700 0.007 0.000 0.808 1476 E HN 0.753 nan 8.360 nan 0.000 0.510 1477 D N -2.505 117.934 120.400 0.064 0.000 2.952 1477 D HA 0.273 4.913 4.640 -0.001 0.000 0.373 1477 D C 0.782 177.179 176.300 0.162 0.000 1.360 1477 D CA 0.379 54.450 54.000 0.118 0.000 0.788 1477 D CB 0.351 41.220 40.800 0.115 0.000 1.192 1477 D HN 0.495 nan 8.370 nan 0.000 0.462 1478 G N 0.646 109.512 108.800 0.109 0.000 2.336 1478 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.233 1478 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.233 1478 G C 0.367 175.168 174.900 -0.164 0.000 1.053 1478 G CA -0.094 45.041 45.100 0.057 0.000 0.625 1478 G HN 0.412 nan 8.290 nan 0.000 0.511 1479 K N 2.132 122.455 120.400 -0.129 0.000 2.437 1479 K HA 0.442 4.761 4.320 -0.001 0.000 0.277 1479 K C 1.573 178.062 176.600 -0.185 0.000 1.073 1479 K CA 0.106 56.278 56.287 -0.192 0.000 1.105 1479 K CB -0.055 32.394 32.500 -0.086 0.000 0.881 1479 K HN 0.487 nan 8.250 nan 0.000 0.475 1480 L N 2.005 123.096 121.223 -0.220 0.000 2.360 1480 L HA 0.011 4.351 4.340 -0.001 0.000 0.161 1480 L C 0.347 177.132 176.870 -0.142 0.000 0.874 1480 L CA 0.043 54.769 54.840 -0.189 0.000 1.257 1480 L CB 0.038 41.994 42.059 -0.173 0.000 1.645 1480 L HN 0.601 nan 8.230 nan 0.000 0.442 1481 N N 0.599 119.226 118.700 -0.122 0.000 2.399 1481 N HA 0.368 5.107 4.740 -0.001 0.000 0.284 1481 N C -1.544 173.908 175.510 -0.096 0.000 1.025 1481 N CA -0.598 52.391 53.050 -0.102 0.000 0.885 1481 N CB 1.711 40.141 38.487 -0.095 0.000 1.339 1481 N HN 0.388 nan 8.380 nan 0.000 0.487 1482 K N 0.130 120.471 120.400 -0.099 0.000 2.525 1482 K HA 0.474 4.793 4.320 -0.001 0.000 0.254 1482 K C -1.397 175.119 176.600 -0.140 0.000 0.934 1482 K CA -0.953 55.266 56.287 -0.113 0.000 0.802 1482 K CB 2.010 34.454 32.500 -0.092 0.000 1.295 1482 K HN 0.169 nan 8.250 nan 0.000 0.433 1483 L N 2.589 123.694 121.223 -0.196 0.000 2.276 1483 L HA 0.492 4.831 4.340 -0.001 0.000 0.286 1483 L C -1.455 175.242 176.870 -0.289 0.000 1.061 1483 L CA 0.074 54.752 54.840 -0.270 0.000 0.807 1483 L CB 0.840 42.708 42.059 -0.318 0.000 1.177 1483 L HN 0.899 nan 8.230 nan 0.000 0.429 1484 c N 5.067 123.487 118.600 -0.299 0.000 2.609 1484 c HA 0.664 5.234 4.570 -0.001 0.000 0.313 1484 c C -0.347 173.582 174.090 -0.268 0.000 1.175 1484 c CA -0.970 55.243 56.329 -0.193 0.000 1.434 1484 c CB 1.878 44.331 42.510 -0.094 0.000 2.005 1484 c HN 0.874 nan 8.230 nan 0.000 0.471 1485 R N 2.120 122.537 120.500 -0.139 0.000 2.502 1485 R HA 0.451 4.790 4.340 -0.001 0.000 0.300 1485 R C -0.339 175.972 176.300 0.018 0.000 0.984 1485 R CA -0.110 55.945 56.100 -0.075 0.000 0.882 1485 R CB 0.841 31.137 30.300 -0.007 0.000 1.180 1485 R HN 0.982 nan 8.270 nan 0.000 0.444 1486 D N 2.495 122.907 120.400 0.019 0.000 4.438 1486 D HA -0.278 4.361 4.640 -0.001 0.000 0.158 1486 D C -0.127 176.178 176.300 0.009 0.000 0.686 1486 D CA 2.095 56.107 54.000 0.020 0.000 1.183 1486 D CB -0.283 40.533 40.800 0.027 0.000 0.623 1486 D HN 0.809 nan 8.370 nan 0.000 0.521 1487 E N -0.268 119.936 120.200 0.007 0.000 2.812 1487 E HA 0.322 4.672 4.350 -0.001 0.000 0.211 1487 E C -0.440 176.163 176.600 0.005 0.000 0.986 1487 E CA -0.220 56.180 56.400 -0.001 0.000 1.119 1487 E CB 0.943 30.635 29.700 -0.014 0.000 1.046 1487 E HN 0.064 nan 8.360 nan 0.000 0.474 1488 L N 1.624 122.872 121.223 0.043 0.000 2.337 1488 L HA 0.352 4.691 4.340 -0.001 0.000 0.269 1488 L C -1.075 175.984 176.870 0.315 0.000 1.018 1488 L CA -0.440 54.466 54.840 0.110 0.000 0.876 1488 L CB 0.498 42.579 42.059 0.037 0.000 1.236 1488 L HN 0.048 nan 8.230 nan 0.000 0.436 1489 c N 3.980 122.749 118.600 0.281 0.000 2.529 1489 c HA 0.901 5.471 4.570 -0.001 0.000 0.329 1489 c C 0.094 174.336 174.090 0.253 0.000 1.194 1489 c CA -0.877 55.564 56.329 0.186 0.000 1.779 1489 c CB 1.787 44.323 42.510 0.043 0.000 2.322 1489 c HN 0.887 nan 8.230 nan 0.000 0.500 1490 R N 0.222 120.676 120.500 -0.075 0.000 2.836 1490 R HA 0.640 4.979 4.340 -0.001 0.000 0.269 1490 R C -1.003 175.211 176.300 -0.144 0.000 1.010 1490 R CA -0.498 55.492 56.100 -0.183 0.000 0.930 1490 R CB 0.611 30.436 30.300 -0.792 0.000 1.218 1490 R HN 0.669 nan 8.270 nan 0.000 0.473 1491 c N 2.504 121.055 118.600 -0.083 0.000 2.485 1491 c HA 0.391 4.961 4.570 -0.001 0.000 0.408 1491 c C 1.424 175.468 174.090 -0.078 0.000 1.034 1491 c CA 0.058 56.358 56.329 -0.049 0.000 1.267 1491 c CB -1.578 40.945 42.510 0.021 0.000 1.703 1491 c HN 0.787 nan 8.230 nan 0.000 0.530 1492 A N 3.601 126.355 122.820 -0.109 0.000 2.252 1492 A HA 0.084 4.404 4.320 -0.001 0.000 0.207 1492 A C 1.244 178.785 177.584 -0.072 0.000 1.194 1492 A CA 0.458 52.431 52.037 -0.107 0.000 0.809 1492 A CB -0.289 18.636 19.000 -0.125 0.000 0.814 1492 A HN 0.840 nan 8.150 nan 0.000 0.482 1493 E N 1.840 122.005 120.200 -0.058 0.000 1.896 1493 E HA 0.079 4.428 4.350 -0.001 0.000 0.276 1493 E C 0.218 176.801 176.600 -0.029 0.000 1.171 1493 E CA 0.370 56.741 56.400 -0.048 0.000 1.118 1493 E CB -0.528 29.144 29.700 -0.045 0.000 1.077 1493 E HN 0.891 nan 8.360 nan 0.000 0.452 1494 E N 0.704 120.885 120.200 -0.031 0.000 2.394 1494 E HA 0.355 4.704 4.350 -0.001 0.000 0.266 1494 E C -0.642 175.949 176.600 -0.016 0.000 1.065 1494 E CA -0.937 55.452 56.400 -0.018 0.000 0.885 1494 E CB 0.588 30.278 29.700 -0.016 0.000 1.659 1494 E HN -0.100 nan 8.360 nan 0.000 0.462 1495 N N -0.683 118.012 118.700 -0.007 0.000 2.538 1495 N HA 0.411 5.151 4.740 -0.001 0.000 0.292 1495 N C -0.655 174.852 175.510 -0.006 0.000 1.262 1495 N CA -0.505 52.542 53.050 -0.005 0.000 0.976 1495 N CB 0.896 39.385 38.487 0.002 0.000 1.161 1495 N HN 0.569 nan 8.380 nan 0.000 0.598 1496 c N -1.080 117.515 118.600 -0.007 0.000 2.596 1496 c HA 0.893 5.462 4.570 -0.001 0.000 0.372 1496 c C -0.496 173.586 174.090 -0.013 0.000 1.881 1496 c CA -0.187 56.136 56.329 -0.010 0.000 1.902 1496 c CB -0.261 42.241 42.510 -0.014 0.000 1.922 1496 c HN 0.454 nan 8.230 nan 0.000 0.495 1497 F N -0.106 119.828 119.950 -0.027 0.000 2.605 1497 F HA 0.849 5.376 4.527 -0.001 0.000 0.320 1497 F C -0.399 175.351 175.800 -0.085 0.000 1.159 1497 F CA -0.124 57.848 58.000 -0.046 0.000 0.999 1497 F CB 0.308 39.285 39.000 -0.037 0.000 1.258 1497 F HN 1.359 nan 8.300 nan 0.000 0.464 1502 D N 1.638 122.012 120.400 -0.043 0.000 3.060 1502 D HA -0.158 4.481 4.640 -0.001 0.000 0.209 1502 D C 0.493 176.789 176.300 -0.007 0.000 1.232 1502 D CA 1.322 55.306 54.000 -0.027 0.000 0.841 1502 D CB -0.568 40.214 40.800 -0.030 0.000 0.863 1502 D HN 0.568 nan 8.370 nan 0.000 0.389 1503 D N 2.174 122.578 120.400 0.007 0.000 1.971 1503 D HA -0.030 4.610 4.640 -0.001 0.000 0.253 1503 D C 0.792 177.103 176.300 0.018 0.000 1.019 1503 D CA 1.020 55.029 54.000 0.014 0.000 0.947 1503 D CB 0.021 40.836 40.800 0.025 0.000 1.256 1503 D HN 0.515 nan 8.370 nan 0.000 0.493 1504 K N 0.666 121.085 120.400 0.032 0.000 3.084 1504 K HA 0.300 4.619 4.320 -0.001 0.000 0.172 1504 K C -0.889 175.736 176.600 0.041 0.000 1.078 1504 K CA -0.236 56.067 56.287 0.027 0.000 0.875 1504 K CB 1.812 34.324 32.500 0.019 0.000 1.064 1504 K HN 0.062 nan 8.250 nan 0.000 0.597 1505 V N -0.201 119.749 119.914 0.060 0.000 2.425 1505 V HA 0.158 4.277 4.120 -0.001 0.000 0.276 1505 V C 0.367 176.480 176.094 0.033 0.000 1.017 1505 V CA 0.116 62.466 62.300 0.083 0.000 1.062 1505 V CB -0.150 31.766 31.823 0.154 0.000 0.997 1505 V HN 0.543 nan 8.190 nan 0.000 0.476 1506 T N 2.581 117.144 114.554 0.015 0.000 2.804 1506 T HA 0.501 4.850 4.350 -0.001 0.000 0.272 1506 T C 0.899 175.590 174.700 -0.014 0.000 0.986 1506 T CA -0.348 61.750 62.100 -0.003 0.000 0.999 1506 T CB 1.575 70.442 68.868 -0.002 0.000 1.307 1506 T HN 0.510 nan 8.240 nan 0.000 0.586 1507 L N 0.084 121.304 121.223 -0.005 0.000 2.217 1507 L HA 0.032 4.372 4.340 -0.001 0.000 0.211 1507 L C 2.282 179.169 176.870 0.028 0.000 1.107 1507 L CA 1.444 56.297 54.840 0.022 0.000 0.783 1507 L CB -0.297 41.773 42.059 0.018 0.000 0.919 1507 L HN 0.710 nan 8.230 nan 0.000 0.442 1508 E N -0.588 119.611 120.200 -0.000 0.000 2.190 1508 E HA -0.124 4.226 4.350 -0.001 0.000 0.191 1508 E C 1.985 178.571 176.600 -0.024 0.000 0.978 1508 E CA 0.431 56.826 56.400 -0.009 0.000 0.839 1508 E CB 0.040 29.731 29.700 -0.013 0.000 0.787 1508 E HN 0.288 nan 8.360 nan 0.000 0.473 1509 E N 0.623 120.805 120.200 -0.029 0.000 2.204 1509 E HA -0.106 4.244 4.350 -0.001 0.000 0.194 1509 E C 1.814 178.344 176.600 -0.118 0.000 0.989 1509 E CA 0.763 57.136 56.400 -0.045 0.000 0.824 1509 E CB 0.001 29.695 29.700 -0.010 0.000 0.756 1509 E HN 0.269 nan 8.360 nan 0.000 0.477 1510 R N 0.023 120.436 120.500 -0.144 0.000 2.090 1510 R HA 0.156 4.495 4.340 -0.001 0.000 0.219 1510 R C 2.590 178.804 176.300 -0.144 0.000 1.100 1510 R CA 0.281 56.206 56.100 -0.291 0.000 0.991 1510 R CB -0.220 29.780 30.300 -0.500 0.000 0.893 1510 R HN 0.082 nan 8.270 nan 0.000 0.443 1511 L N 1.114 122.371 121.223 0.056 0.000 2.261 1511 L HA -0.192 4.147 4.340 -0.001 0.000 0.216 1511 L C 1.176 177.993 176.870 -0.087 0.000 1.114 1511 L CA 1.006 55.869 54.840 0.037 0.000 0.777 1511 L CB -0.321 41.743 42.059 0.008 0.000 0.910 1511 L HN 0.181 nan 8.230 nan 0.000 0.440 1512 D N -0.234 120.105 120.400 -0.102 0.000 2.201 1512 D HA -0.072 4.568 4.640 -0.001 0.000 0.209 1512 D C 1.993 178.205 176.300 -0.147 0.000 0.961 1512 D CA 0.940 54.879 54.000 -0.101 0.000 0.861 1512 D CB 0.084 40.846 40.800 -0.063 0.000 0.997 1512 D HN 0.171 nan 8.370 nan 0.000 0.486 1513 K N 0.304 120.584 120.400 -0.199 0.000 2.459 1513 K HA 0.202 4.521 4.320 -0.001 0.000 0.193 1513 K C 1.193 177.510 176.600 -0.472 0.000 1.030 1513 K CA 0.272 56.435 56.287 -0.207 0.000 1.026 1513 K CB 0.504 32.931 32.500 -0.122 0.000 0.809 1513 K HN -0.029 nan 8.250 nan 0.000 0.504 1514 A N -0.311 122.111 122.820 -0.663 0.000 2.430 1514 A HA 0.090 4.410 4.320 -0.001 0.000 0.243 1514 A C 1.038 178.335 177.584 -0.479 0.000 1.254 1514 A CA -0.108 51.351 52.037 -0.964 0.000 0.914 1514 A CB 0.046 18.445 19.000 -1.002 0.000 0.998 1514 A HN 0.292 nan 8.150 nan 0.000 0.515 1515 c N 0.388 118.808 118.600 -0.301 0.000 3.240 1515 c HA 0.273 4.842 4.570 -0.001 0.000 0.271 1515 c C 0.698 174.714 174.090 -0.123 0.000 1.534 1515 c CA -0.784 55.436 56.329 -0.181 0.000 1.796 1515 c CB -1.163 41.266 42.510 -0.134 0.000 2.892 1515 c HN 0.565 nan 8.230 nan 0.000 0.566 1516 E N 1.999 122.121 120.200 -0.129 0.000 2.391 1516 E HA 0.081 4.430 4.350 -0.001 0.000 0.255 1516 E C -1.423 175.156 176.600 -0.035 0.000 1.187 1516 E CA -0.939 55.423 56.400 -0.063 0.000 0.941 1516 E CB 0.557 30.234 29.700 -0.039 0.000 1.010 1516 E HN 0.074 nan 8.360 nan 0.000 0.458 1517 P HA -0.194 nan 4.420 nan 0.000 0.210 1517 P C 1.275 178.592 177.300 0.029 0.000 1.185 1517 P CA 1.560 64.668 63.100 0.014 0.000 0.924 1517 P CB -0.198 31.517 31.700 0.025 0.000 0.786 1518 G N -0.476 108.352 108.800 0.046 0.000 2.479 1518 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.220 1518 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.220 1518 G C 0.363 175.307 174.900 0.074 0.000 1.115 1518 G CA 0.140 45.286 45.100 0.076 0.000 0.757 1518 G HN 0.217 nan 8.290 nan 0.000 0.560 1519 V N 1.754 121.681 119.914 0.022 0.000 2.486 1519 V HA -0.022 4.098 4.120 -0.001 0.000 0.290 1519 V C 1.179 177.281 176.094 0.014 0.000 0.991 1519 V CA 1.135 63.417 62.300 -0.030 0.000 1.142 1519 V CB 0.838 32.574 31.823 -0.146 0.000 0.926 1519 V HN 0.471 nan 8.190 nan 0.000 0.472 1520 D N 4.016 124.449 120.400 0.056 0.000 2.766 1520 D HA 0.039 4.679 4.640 -0.001 0.000 0.284 1520 D C 0.198 176.634 176.300 0.226 0.000 1.050 1520 D CA 0.273 54.392 54.000 0.197 0.000 0.945 1520 D CB 0.759 41.798 40.800 0.398 0.000 1.272 1520 D HN 0.570 nan 8.370 nan 0.000 0.482 1521 Y N -0.051 120.326 120.300 0.129 0.000 2.462 1521 Y HA 0.666 5.215 4.550 -0.001 0.000 0.346 1521 Y C -1.274 174.495 175.900 -0.218 0.000 0.976 1521 Y CA -1.240 56.816 58.100 -0.073 0.000 1.044 1521 Y CB 1.898 40.423 38.460 0.108 0.000 1.230 1521 Y HN -0.266 nan 8.280 nan 0.000 0.455 1522 V N 4.643 124.290 119.914 -0.446 0.000 2.567 1522 V HA 0.415 4.535 4.120 -0.001 0.000 0.298 1522 V C -1.478 174.452 176.094 -0.273 0.000 1.047 1522 V CA -0.868 61.322 62.300 -0.182 0.000 0.880 1522 V CB 0.678 32.530 31.823 0.048 0.000 1.009 1522 V HN 0.782 nan 8.190 nan 0.000 0.429 1523 Y N 1.722 122.237 120.300 0.360 0.000 2.576 1523 Y HA 0.577 5.126 4.550 -0.001 0.000 0.346 1523 Y C 0.086 176.099 175.900 0.189 0.000 1.018 1523 Y CA -1.512 56.733 58.100 0.242 0.000 1.050 1523 Y CB 2.044 40.628 38.460 0.207 0.000 1.280 1523 Y HN 0.486 nan 8.280 nan 0.000 0.474 1524 K N 2.332 122.874 120.400 0.238 0.000 2.357 1524 K HA 0.364 4.683 4.320 -0.001 0.000 0.251 1524 K C -0.784 175.818 176.600 0.004 0.000 1.069 1524 K CA -0.250 56.041 56.287 0.006 0.000 0.994 1524 K CB 0.149 32.446 32.500 -0.339 0.000 1.411 1524 K HN 0.888 nan 8.250 nan 0.000 0.450 1525 T N 0.353 114.947 114.554 0.067 0.000 2.927 1525 T HA 0.404 4.754 4.350 -0.001 0.000 0.281 1525 T C -0.216 174.495 174.700 0.018 0.000 0.998 1525 T CA -0.979 61.144 62.100 0.038 0.000 1.019 1525 T CB 1.646 70.521 68.868 0.012 0.000 1.061 1525 T HN 0.526 nan 8.240 nan 0.000 0.518 1526 R N 1.363 121.845 120.500 -0.030 0.000 2.451 1526 R HA 0.438 4.777 4.340 -0.001 0.000 0.307 1526 R C -1.188 175.075 176.300 -0.062 0.000 0.965 1526 R CA -0.968 55.050 56.100 -0.138 0.000 0.865 1526 R CB 1.069 31.215 30.300 -0.257 0.000 1.174 1526 R HN 0.614 nan 8.270 nan 0.000 0.455 1527 L N 6.076 127.293 121.223 -0.009 0.000 2.500 1527 L HA 0.056 4.396 4.340 -0.001 0.000 0.272 1527 L C 0.123 176.999 176.870 0.010 0.000 1.149 1527 L CA 0.713 55.566 54.840 0.022 0.000 0.897 1527 L CB 1.312 43.406 42.059 0.059 0.000 1.178 1527 L HN 0.621 nan 8.230 nan 0.000 0.473 1528 V N 4.103 124.030 119.914 0.022 0.000 2.581 1528 V HA 0.165 4.284 4.120 -0.001 0.000 0.240 1528 V C 0.858 176.966 176.094 0.025 0.000 1.054 1528 V CA 0.678 62.986 62.300 0.013 0.000 1.076 1528 V CB -0.340 31.490 31.823 0.013 0.000 0.748 1528 V HN 0.790 nan 8.190 nan 0.000 0.474 1529 K N 0.150 120.574 120.400 0.039 0.000 2.422 1529 K HA 0.627 4.946 4.320 -0.001 0.000 0.251 1529 K C -1.898 174.724 176.600 0.036 0.000 0.933 1529 K CA -0.426 55.878 56.287 0.028 0.000 0.798 1529 K CB 2.613 35.120 32.500 0.012 0.000 1.238 1529 K HN -0.013 nan 8.250 nan 0.000 0.428 1530 V N 4.445 124.364 119.914 0.010 0.000 2.357 1530 V HA 0.280 4.400 4.120 -0.001 0.000 0.281 1530 V C -0.641 175.388 176.094 -0.108 0.000 1.015 1530 V CA -0.785 61.497 62.300 -0.031 0.000 0.827 1530 V CB 1.234 33.085 31.823 0.047 0.000 1.018 1530 V HN 0.780 nan 8.190 nan 0.000 0.432 1531 Q N 3.601 123.288 119.800 -0.188 0.000 2.215 1531 Q HA 0.806 5.145 4.340 -0.001 0.000 0.256 1531 Q C -1.126 174.706 176.000 -0.280 0.000 0.972 1531 Q CA -0.805 54.883 55.803 -0.191 0.000 0.889 1531 Q CB 3.186 31.824 28.738 -0.167 0.000 1.281 1531 Q HN 0.585 nan 8.270 nan 0.000 0.456 1532 L N 0.601 121.693 121.223 -0.219 0.000 2.543 1532 L HA 0.406 4.746 4.340 -0.001 0.000 0.265 1532 L C -1.215 175.557 176.870 -0.163 0.000 0.945 1532 L CA -0.135 54.570 54.840 -0.224 0.000 0.869 1532 L CB 2.308 44.274 42.059 -0.155 0.000 1.294 1532 L HN 0.629 nan 8.230 nan 0.000 0.405 1533 S N 1.522 117.114 115.700 -0.180 0.000 2.786 1533 S HA 0.354 4.823 4.470 -0.001 0.000 0.307 1533 S C 0.424 175.031 174.600 0.011 0.000 1.121 1533 S CA -0.644 57.519 58.200 -0.062 0.000 0.975 1533 S CB 1.543 64.735 63.200 -0.014 0.000 1.220 1533 S HN 0.722 nan 8.310 nan 0.000 0.550 1534 N N 0.805 119.541 118.700 0.060 0.000 2.398 1534 N HA 0.004 4.744 4.740 -0.001 0.000 0.188 1534 N C 0.036 175.600 175.510 0.089 0.000 1.122 1534 N CA 0.623 53.707 53.050 0.057 0.000 0.866 1534 N CB -0.058 38.454 38.487 0.043 0.000 0.970 1534 N HN 0.656 nan 8.380 nan 0.000 0.462 1535 D N -1.770 118.738 120.400 0.180 0.000 2.514 1535 D HA 0.161 4.800 4.640 -0.001 0.000 0.225 1535 D C -0.049 176.460 176.300 0.348 0.000 1.159 1535 D CA -0.349 53.761 54.000 0.184 0.000 0.823 1535 D CB -0.122 40.734 40.800 0.093 0.000 1.097 1535 D HN 0.252 nan 8.370 nan 0.000 0.519 1536 F N -0.711 119.218 119.950 -0.035 0.000 2.780 1536 F HA 0.363 4.889 4.527 -0.001 0.000 0.320 1536 F C -2.107 173.655 175.800 -0.065 0.000 1.118 1536 F CA -1.627 56.346 58.000 -0.044 0.000 0.964 1536 F CB 0.666 39.640 39.000 -0.045 0.000 1.249 1536 F HN -0.165 nan 8.300 nan 0.000 0.455 1537 D N 0.818 121.066 120.400 -0.254 0.000 2.487 1537 D HA 0.709 5.349 4.640 -0.001 0.000 0.262 1537 D C -1.113 174.846 176.300 -0.569 0.000 1.130 1537 D CA -0.251 53.476 54.000 -0.455 0.000 1.038 1537 D CB 1.717 42.314 40.800 -0.337 0.000 1.142 1537 D HN 0.912 nan 8.370 nan 0.000 0.575 1538 E N -2.362 117.401 120.200 -0.728 0.000 2.423 1538 E HA 0.486 4.836 4.350 -0.001 0.000 0.280 1538 E C -1.599 174.514 176.600 -0.811 0.000 1.030 1538 E CA -1.086 54.974 56.400 -0.568 0.000 0.812 1538 E CB 1.155 30.645 29.700 -0.349 0.000 1.313 1538 E HN 0.480 nan 8.360 nan 0.000 0.456 1539 Y N 0.375 120.691 120.300 0.028 0.000 2.315 1539 Y HA 0.378 4.928 4.550 -0.001 0.000 0.324 1539 Y C -0.438 175.518 175.900 0.093 0.000 1.062 1539 Y CA -0.883 57.229 58.100 0.020 0.000 1.159 1539 Y CB 1.533 39.966 38.460 -0.045 0.000 1.145 1539 Y HN 0.409 nan 8.280 nan 0.000 0.442 1540 I N 5.261 125.930 120.570 0.166 0.000 2.293 1540 I HA 0.212 4.381 4.170 -0.001 0.000 0.299 1540 I C -0.314 175.881 176.117 0.131 0.000 1.153 1540 I CA 0.376 61.764 61.300 0.146 0.000 1.302 1540 I CB -0.150 37.896 38.000 0.077 0.000 1.460 1540 I HN 0.512 nan 8.210 nan 0.000 0.552 1541 M N 4.878 124.579 119.600 0.168 0.000 2.404 1541 M HA 0.602 5.082 4.480 -0.001 0.000 0.338 1541 M C -0.058 176.289 176.300 0.078 0.000 1.150 1541 M CA -0.499 54.848 55.300 0.079 0.000 1.016 1541 M CB 2.078 34.657 32.600 -0.036 0.000 1.672 1541 M HN 0.518 nan 8.290 nan 0.000 0.448 1542 A N 3.951 126.788 122.820 0.029 0.000 2.276 1542 A HA 0.670 4.989 4.320 -0.001 0.000 0.316 1542 A C -0.302 177.281 177.584 -0.003 0.000 1.229 1542 A CA -0.699 51.346 52.037 0.014 0.000 0.851 1542 A CB 0.249 19.252 19.000 0.005 0.000 1.165 1542 A HN 0.899 nan 8.150 nan 0.000 0.513 1543 I N 2.498 123.051 120.570 -0.028 0.000 2.517 1543 I HA 0.049 4.218 4.170 -0.001 0.000 0.285 1543 I C 0.909 177.019 176.117 -0.011 0.000 1.106 1543 I CA 0.290 61.566 61.300 -0.041 0.000 1.402 1543 I CB 0.789 38.689 38.000 -0.167 0.000 1.399 1543 I HN 0.846 nan 8.210 nan 0.000 0.535 1544 E N 5.196 125.398 120.200 0.003 0.000 2.447 1544 E HA -0.005 4.345 4.350 -0.001 0.000 0.195 1544 E C -0.152 176.446 176.600 -0.003 0.000 1.028 1544 E CA 0.180 56.575 56.400 -0.009 0.000 0.876 1544 E CB 0.417 30.099 29.700 -0.031 0.000 0.885 1544 E HN 0.703 nan 8.360 nan 0.000 0.500 1545 Q N -0.449 119.374 119.800 0.038 0.000 2.574 1545 Q HA 0.172 4.511 4.340 -0.001 0.000 0.265 1545 Q C -1.126 174.993 176.000 0.199 0.000 0.975 1545 Q CA -0.769 55.081 55.803 0.078 0.000 0.923 1545 Q CB 0.783 29.543 28.738 0.036 0.000 1.518 1545 Q HN -0.057 nan 8.270 nan 0.000 0.401 1546 T N 0.547 115.235 114.554 0.224 0.000 3.016 1546 T HA 0.405 4.755 4.350 -0.001 0.000 0.335 1546 T C 1.013 175.858 174.700 0.242 0.000 1.176 1546 T CA -0.610 61.717 62.100 0.379 0.000 0.987 1546 T CB -0.294 68.782 68.868 0.346 0.000 1.073 1546 T HN 0.652 nan 8.240 nan 0.000 0.547 1547 I N 0.911 121.608 120.570 0.211 0.000 2.264 1547 I HA -0.027 4.142 4.170 -0.001 0.000 0.248 1547 I C 1.417 177.571 176.117 0.062 0.000 1.111 1547 I CA 1.171 62.539 61.300 0.115 0.000 1.382 1547 I CB -0.007 38.073 38.000 0.133 0.000 1.060 1547 I HN 0.523 nan 8.210 nan 0.000 0.418 1548 K N 0.913 121.344 120.400 0.052 0.000 2.687 1548 K HA 0.270 4.590 4.320 -0.001 0.000 0.249 1548 K C -0.924 175.739 176.600 0.105 0.000 0.994 1548 K CA -0.291 56.020 56.287 0.040 0.000 0.913 1548 K CB 1.403 33.890 32.500 -0.022 0.000 1.202 1548 K HN -0.142 nan 8.250 nan 0.000 0.460 1549 S N 1.696 117.500 115.700 0.174 0.000 2.549 1549 S HA 0.271 4.740 4.470 -0.001 0.000 0.283 1549 S C 0.477 175.221 174.600 0.241 0.000 1.320 1549 S CA -0.140 58.215 58.200 0.259 0.000 1.058 1549 S CB 1.301 64.620 63.200 0.198 0.000 0.882 1549 S HN 0.759 nan 8.310 nan 0.000 0.498 1550 G N 1.166 110.174 108.800 0.347 0.000 2.940 1550 G HA2 0.332 4.292 3.960 -0.001 0.000 0.164 1550 G HA3 0.332 4.292 3.960 -0.001 0.000 0.164 1550 G C 0.665 175.709 174.900 0.240 0.000 1.326 1550 G CA -0.559 44.746 45.100 0.341 0.000 1.020 1550 G HN 0.580 nan 8.290 nan 0.000 0.586 1551 S N -0.200 115.617 115.700 0.194 0.000 2.555 1551 S HA 0.035 4.505 4.470 -0.001 0.000 0.230 1551 S C 0.308 174.852 174.600 -0.093 0.000 0.978 1551 S CA 0.500 58.682 58.200 -0.029 0.000 0.934 1551 S CB -0.046 63.024 63.200 -0.216 0.000 0.766 1551 S HN 0.520 nan 8.310 nan 0.000 0.533 1552 D N 2.501 122.944 120.400 0.072 0.000 2.373 1552 D HA 0.105 4.744 4.640 -0.001 0.000 0.227 1552 D C -0.566 175.818 176.300 0.140 0.000 1.091 1552 D CA -0.389 53.662 54.000 0.085 0.000 0.840 1552 D CB 0.517 41.484 40.800 0.278 0.000 1.060 1552 D HN -0.072 nan 8.370 nan 0.000 0.502 1553 E N 2.873 123.111 120.200 0.064 0.000 1.881 1553 E HA 0.130 4.479 4.350 -0.001 0.000 0.264 1553 E C -0.503 176.135 176.600 0.064 0.000 1.243 1553 E CA -0.137 56.303 56.400 0.067 0.000 0.965 1553 E CB 1.015 30.734 29.700 0.031 0.000 1.055 1553 E HN 0.188 nan 8.360 nan 0.000 0.412 1554 V N 3.483 123.448 119.914 0.084 0.000 2.531 1554 V HA 0.214 4.334 4.120 -0.001 0.000 0.301 1554 V C -0.687 175.427 176.094 0.034 0.000 1.034 1554 V CA -0.754 61.571 62.300 0.042 0.000 0.865 1554 V CB 2.059 33.885 31.823 0.004 0.000 0.995 1554 V HN 0.415 nan 8.190 nan 0.000 0.424 1555 Q N 3.293 123.106 119.800 0.021 0.000 2.256 1555 Q HA 0.515 4.854 4.340 -0.001 0.000 0.232 1555 Q C -0.422 175.582 176.000 0.007 0.000 0.965 1555 Q CA -0.187 55.630 55.803 0.023 0.000 0.908 1555 Q CB 1.720 30.471 28.738 0.020 0.000 1.209 1555 Q HN 0.690 nan 8.270 nan 0.000 0.489 1556 V N 2.086 122.011 119.914 0.017 0.000 2.450 1556 V HA 0.351 4.470 4.120 -0.001 0.000 0.281 1556 V C 1.189 177.285 176.094 0.003 0.000 1.019 1556 V CA 1.761 64.067 62.300 0.010 0.000 1.062 1556 V CB -0.091 31.745 31.823 0.022 0.000 0.979 1556 V HN 1.010 nan 8.190 nan 0.000 0.477 1557 G N 3.703 112.500 108.800 -0.005 0.000 2.699 1557 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.198 1557 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.198 1557 G C 0.210 175.109 174.900 -0.002 0.000 1.033 1557 G CA -0.269 44.830 45.100 -0.001 0.000 0.728 1557 G HN 0.567 nan 8.290 nan 0.000 0.484 1558 Q N 0.616 120.413 119.800 -0.006 0.000 2.524 1558 Q HA 0.489 4.829 4.340 -0.001 0.000 0.246 1558 Q C -0.073 175.928 176.000 0.002 0.000 1.063 1558 Q CA 0.461 56.264 55.803 -0.000 0.000 0.945 1558 Q CB 0.387 29.125 28.738 0.000 0.000 1.292 1558 Q HN 0.503 nan 8.270 nan 0.000 0.518 1559 Q N 1.050 120.862 119.800 0.020 0.000 2.322 1559 Q HA 0.383 4.723 4.340 -0.001 0.000 0.265 1559 Q C -0.890 175.150 176.000 0.067 0.000 0.985 1559 Q CA -0.638 55.191 55.803 0.043 0.000 0.849 1559 Q CB 1.543 30.310 28.738 0.047 0.000 1.274 1559 Q HN 0.193 nan 8.270 nan 0.000 0.449 1560 R N 1.739 122.301 120.500 0.103 0.000 2.387 1560 R HA 0.369 4.709 4.340 -0.001 0.000 0.314 1560 R C -0.641 175.775 176.300 0.194 0.000 0.958 1560 R CA -0.503 55.679 56.100 0.137 0.000 0.846 1560 R CB 1.590 31.963 30.300 0.122 0.000 1.147 1560 R HN 0.531 nan 8.270 nan 0.000 0.447 1561 T N 4.080 118.721 114.554 0.145 0.000 2.851 1561 T HA 0.320 4.670 4.350 -0.001 0.000 0.298 1561 T C -0.123 174.652 174.700 0.125 0.000 0.977 1561 T CA 0.338 62.544 62.100 0.177 0.000 1.126 1561 T CB 0.107 69.049 68.868 0.124 0.000 0.916 1561 T HN 0.172 nan 8.240 nan 0.000 0.529 1562 F N 2.358 122.411 119.950 0.172 0.000 2.480 1562 F HA 0.635 5.161 4.527 -0.001 0.000 0.329 1562 F C 0.349 176.255 175.800 0.177 0.000 1.091 1562 F CA -1.181 56.939 58.000 0.201 0.000 0.972 1562 F CB 1.184 40.288 39.000 0.174 0.000 1.150 1562 F HN 0.322 nan 8.300 nan 0.000 0.467 1563 I N 1.593 122.352 120.570 0.315 0.000 2.608 1563 I HA 0.517 4.687 4.170 -0.001 0.000 0.295 1563 I C -0.624 175.621 176.117 0.215 0.000 1.049 1563 I CA -0.550 60.881 61.300 0.218 0.000 1.063 1563 I CB 2.262 40.401 38.000 0.231 0.000 1.248 1563 I HN 0.500 nan 8.210 nan 0.000 0.424 1564 S N 5.810 121.616 115.700 0.177 0.000 2.541 1564 S HA 0.619 5.088 4.470 -0.001 0.000 0.271 1564 S C -2.817 171.860 174.600 0.129 0.000 1.133 1564 S CA -1.298 56.995 58.200 0.156 0.000 0.876 1564 S CB 2.220 65.544 63.200 0.207 0.000 1.105 1564 S HN 0.168 nan 8.310 nan 0.000 0.470 1565 P HA 0.193 nan 4.420 nan 0.000 0.269 1565 P C 0.730 178.071 177.300 0.069 0.000 1.217 1565 P CA -0.170 62.980 63.100 0.085 0.000 0.783 1565 P CB 0.337 32.060 31.700 0.038 0.000 0.898 1566 I N 0.979 121.588 120.570 0.065 0.000 2.830 1566 I HA -0.156 4.013 4.170 -0.001 0.000 0.263 1566 I C 1.373 177.504 176.117 0.024 0.000 1.230 1566 I CA 1.230 62.553 61.300 0.037 0.000 1.480 1566 I CB 0.027 38.050 38.000 0.039 0.000 1.095 1566 I HN 0.296 nan 8.210 nan 0.000 0.455 1567 K N -0.443 119.970 120.400 0.022 0.000 2.365 1567 K HA 0.021 4.341 4.320 -0.001 0.000 0.197 1567 K C 1.356 177.961 176.600 0.008 0.000 1.042 1567 K CA 0.477 56.770 56.287 0.010 0.000 0.987 1567 K CB 0.060 32.563 32.500 0.005 0.000 0.779 1567 K HN 0.354 nan 8.250 nan 0.000 0.484 1568 c N 1.237 119.847 118.600 0.017 0.000 2.525 1568 c HA 0.212 4.781 4.570 -0.001 0.000 0.313 1568 c C 1.593 175.694 174.090 0.018 0.000 1.311 1568 c CA -0.467 55.868 56.329 0.010 0.000 1.725 1568 c CB -1.231 41.288 42.510 0.016 0.000 1.926 1568 c HN 0.339 nan 8.230 nan 0.000 0.595 1569 R N 0.837 121.351 120.500 0.024 0.000 2.280 1569 R HA -0.090 4.250 4.340 -0.001 0.000 0.207 1569 R C 1.815 178.118 176.300 0.004 0.000 1.043 1569 R CA 0.772 56.891 56.100 0.032 0.000 1.006 1569 R CB 0.029 30.343 30.300 0.024 0.000 0.885 1569 R HN 0.647 nan 8.270 nan 0.000 0.467 1570 E N 0.370 120.562 120.200 -0.012 0.000 2.460 1570 E HA 0.076 4.426 4.350 -0.001 0.000 0.200 1570 E C 1.453 178.024 176.600 -0.048 0.000 1.011 1570 E CA 0.264 56.647 56.400 -0.027 0.000 0.912 1570 E CB 0.300 29.986 29.700 -0.023 0.000 0.953 1570 E HN 0.259 nan 8.360 nan 0.000 0.494 1571 A N 1.132 123.918 122.820 -0.055 0.000 1.830 1571 A HA -0.039 4.281 4.320 -0.001 0.000 0.214 1571 A C 0.773 178.285 177.584 -0.120 0.000 1.218 1571 A CA 0.738 52.722 52.037 -0.088 0.000 0.628 1571 A CB -0.144 18.801 19.000 -0.091 0.000 0.860 1571 A HN 0.271 nan 8.150 nan 0.000 0.454 1572 L N 0.497 121.627 121.223 -0.154 0.000 2.353 1572 L HA 0.261 4.601 4.340 -0.001 0.000 0.270 1572 L C -0.752 175.997 176.870 -0.203 0.000 1.003 1572 L CA -0.142 54.580 54.840 -0.198 0.000 0.862 1572 L CB 1.189 43.070 42.059 -0.297 0.000 1.221 1572 L HN 0.394 nan 8.230 nan 0.000 0.430 1573 K N 5.025 125.355 120.400 -0.116 0.000 2.062 1573 K HA 0.127 4.447 4.320 -0.001 0.000 0.251 1573 K C 0.019 176.560 176.600 -0.098 0.000 1.113 1573 K CA 0.043 56.288 56.287 -0.071 0.000 1.096 1573 K CB -0.092 32.391 32.500 -0.027 0.000 1.099 1573 K HN 0.458 nan 8.250 nan 0.000 0.350 1574 L N 3.239 124.313 121.223 -0.247 0.000 2.617 1574 L HA 0.022 4.362 4.340 -0.001 0.000 0.282 1574 L C 0.956 177.807 176.870 -0.031 0.000 1.174 1574 L CA 0.097 54.723 54.840 -0.357 0.000 1.016 1574 L CB -0.529 40.988 42.059 -0.904 0.000 1.337 1574 L HN 0.566 nan 8.230 nan 0.000 0.460 1575 E N 2.354 122.616 120.200 0.103 0.000 2.397 1575 E HA 0.117 4.466 4.350 -0.001 0.000 0.254 1575 E C -0.146 176.524 176.600 0.118 0.000 1.231 1575 E CA -0.428 56.038 56.400 0.111 0.000 0.954 1575 E CB 0.770 30.538 29.700 0.112 0.000 1.024 1575 E HN 0.466 nan 8.360 nan 0.000 0.481 1576 E N 1.138 121.383 120.200 0.075 0.000 2.266 1576 E HA 0.095 4.445 4.350 -0.001 0.000 0.277 1576 E C -0.589 176.019 176.600 0.013 0.000 1.018 1576 E CA -0.507 55.922 56.400 0.049 0.000 0.840 1576 E CB 0.996 30.716 29.700 0.033 0.000 1.082 1576 E HN 0.359 nan 8.360 nan 0.000 0.395 1577 K N 0.932 121.315 120.400 -0.028 0.000 3.230 1577 K HA -0.171 4.149 4.320 -0.001 0.000 0.285 1577 K C -0.780 175.704 176.600 -0.193 0.000 1.196 1577 K CA 1.028 57.253 56.287 -0.103 0.000 0.838 1577 K CB -1.545 30.920 32.500 -0.059 0.000 1.262 1577 K HN 0.527 nan 8.250 nan 0.000 0.492 1578 K N 0.607 120.903 120.400 -0.173 0.000 2.203 1578 K HA 0.375 4.695 4.320 -0.001 0.000 0.251 1578 K C 0.053 176.326 176.600 -0.545 0.000 0.944 1578 K CA -0.813 55.289 56.287 -0.308 0.000 0.829 1578 K CB 1.468 33.883 32.500 -0.142 0.000 1.125 1578 K HN 0.113 nan 8.250 nan 0.000 0.430 1579 H N 1.428 120.194 119.070 -0.507 0.000 2.481 1579 H HA 0.291 4.846 4.556 -0.001 0.000 0.339 1579 H C -0.842 174.056 175.328 -0.717 0.000 1.131 1579 H CA 0.008 55.786 56.048 -0.451 0.000 1.301 1579 H CB 0.841 30.365 29.762 -0.397 0.000 1.476 1579 H HN 0.460 nan 8.280 nan 0.000 0.529 1580 Y N 0.489 120.822 120.300 0.055 0.000 2.479 1580 Y HA 0.144 4.693 4.550 -0.001 0.000 0.338 1580 Y C -0.641 175.352 175.900 0.157 0.000 1.055 1580 Y CA -0.908 57.235 58.100 0.071 0.000 1.023 1580 Y CB 1.695 40.108 38.460 -0.079 0.000 1.287 1580 Y HN 0.369 nan 8.280 nan 0.000 0.447 1581 L N 4.581 126.061 121.223 0.428 0.000 2.264 1581 L HA 0.701 5.040 4.340 -0.001 0.000 0.289 1581 L C -1.112 175.903 176.870 0.243 0.000 1.044 1581 L CA -0.264 54.835 54.840 0.431 0.000 0.807 1581 L CB 0.292 42.692 42.059 0.568 0.000 1.192 1581 L HN 0.678 nan 8.230 nan 0.000 0.425 1582 M N 5.177 124.915 119.600 0.231 0.000 2.501 1582 M HA 0.560 5.039 4.480 -0.001 0.000 0.293 1582 M C -1.818 174.604 176.300 0.203 0.000 1.192 1582 M CA -0.417 54.936 55.300 0.089 0.000 0.886 1582 M CB 2.419 35.058 32.600 0.065 0.000 1.710 1582 M HN 0.708 nan 8.290 nan 0.000 0.457 1583 W N 0.730 122.060 121.300 0.050 0.000 3.479 1583 W HA 0.870 5.529 4.660 -0.001 0.000 0.304 1583 W C -1.224 175.061 176.519 -0.391 0.000 1.243 1583 W CA -0.879 56.249 57.345 -0.362 0.000 1.202 1583 W CB 0.206 29.519 29.460 -0.245 0.000 1.346 1583 W HN 0.790 nan 8.180 nan 0.000 0.539 1584 G N 1.513 109.907 108.800 -0.677 0.000 2.975 1584 G HA2 0.755 4.715 3.960 -0.001 0.000 0.291 1584 G HA3 0.755 4.715 3.960 -0.001 0.000 0.291 1584 G C -1.565 173.319 174.900 -0.027 0.000 1.334 1584 G CA -1.304 43.718 45.100 -0.130 0.000 0.843 1584 G HN 0.706 nan 8.290 nan 0.000 0.548 1585 L N 0.356 121.684 121.223 0.176 0.000 2.400 1585 L HA 0.349 4.688 4.340 -0.001 0.000 0.264 1585 L C 1.882 178.929 176.870 0.296 0.000 1.061 1585 L CA -0.405 54.557 54.840 0.203 0.000 0.799 1585 L CB 1.848 44.005 42.059 0.164 0.000 1.240 1585 L HN 0.706 nan 8.230 nan 0.000 0.461 1586 S N -1.630 114.275 115.700 0.342 0.000 2.489 1586 S HA -0.110 4.360 4.470 -0.001 0.000 0.228 1586 S C 1.489 176.371 174.600 0.470 0.000 0.995 1586 S CA 0.608 59.134 58.200 0.543 0.000 0.934 1586 S CB -0.322 63.146 63.200 0.446 0.000 0.771 1586 S HN 0.754 nan 8.310 nan 0.000 0.522 1587 S N 0.775 116.644 115.700 0.282 0.000 2.607 1587 S HA 0.100 4.570 4.470 -0.001 0.000 0.224 1587 S C 0.446 175.165 174.600 0.198 0.000 0.969 1587 S CA 0.214 58.551 58.200 0.229 0.000 0.927 1587 S CB -0.235 63.066 63.200 0.167 0.000 0.772 1587 S HN 0.385 nan 8.310 nan 0.000 0.533 1588 D N 0.356 120.854 120.400 0.164 0.000 2.369 1588 D HA 0.308 4.947 4.640 -0.001 0.000 0.211 1588 D C -0.292 176.009 176.300 0.001 0.000 1.077 1588 D CA -0.273 53.775 54.000 0.080 0.000 0.842 1588 D CB -0.144 40.717 40.800 0.102 0.000 0.947 1588 D HN 0.354 nan 8.370 nan 0.000 0.509 1589 F N 0.456 120.450 119.950 0.074 0.000 2.506 1589 F HA 0.153 4.679 4.527 -0.001 0.000 0.351 1589 F C 0.591 176.498 175.800 0.179 0.000 1.136 1589 F CA 0.024 58.010 58.000 -0.024 0.000 1.298 1589 F CB 0.622 39.575 39.000 -0.077 0.000 1.145 1589 F HN -0.089 nan 8.300 nan 0.000 0.593 1590 W N 4.012 125.339 121.300 0.045 0.000 2.884 1590 W HA 0.463 5.122 4.660 -0.001 0.000 0.336 1590 W C -0.215 176.302 176.519 -0.004 0.000 1.038 1590 W CA -0.227 57.125 57.345 0.013 0.000 1.247 1590 W CB 1.583 31.042 29.460 -0.002 0.000 1.351 1590 W HN 0.850 nan 8.180 nan 0.000 0.446 1591 G N 3.605 112.066 108.800 -0.565 0.000 2.396 1591 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.254 1591 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.254 1591 G C -1.413 173.312 174.900 -0.292 0.000 1.248 1591 G CA -0.865 43.922 45.100 -0.522 0.000 1.033 1591 G HN 0.343 nan 8.290 nan 0.000 0.502 1592 E N 0.635 120.699 120.200 -0.227 0.000 2.248 1592 E HA 0.421 4.771 4.350 -0.001 0.000 0.267 1592 E C -0.075 176.446 176.600 -0.132 0.000 0.877 1592 E CA -0.792 55.508 56.400 -0.168 0.000 0.759 1592 E CB 1.818 31.426 29.700 -0.155 0.000 1.182 1592 E HN 0.599 nan 8.360 nan 0.000 0.418 1593 K N 2.077 122.402 120.400 -0.126 0.000 2.469 1593 K HA 0.059 4.379 4.320 -0.001 0.000 0.274 1593 K C -1.481 175.071 176.600 -0.080 0.000 0.983 1593 K CA -0.861 55.363 56.287 -0.106 0.000 0.974 1593 K CB 0.148 32.580 32.500 -0.113 0.000 0.913 1593 K HN 0.165 nan 8.250 nan 0.000 0.493 1594 P HA 0.010 nan 4.420 nan 0.000 0.245 1594 P C -0.713 176.557 177.300 -0.050 0.000 1.206 1594 P CA 0.468 63.536 63.100 -0.053 0.000 0.781 1594 P CB 0.280 31.959 31.700 -0.034 0.000 0.994 1595 N N 0.846 119.512 118.700 -0.058 0.000 3.050 1595 N HA 0.122 4.861 4.740 -0.001 0.000 0.289 1595 N C -0.000 175.467 175.510 -0.071 0.000 1.209 1595 N CA 0.369 53.388 53.050 -0.053 0.000 1.154 1595 N CB -0.436 38.017 38.487 -0.055 0.000 1.444 1595 N HN 0.220 nan 8.380 nan 0.000 0.529 1596 L N -0.289 120.900 121.223 -0.057 0.000 2.440 1596 L HA 0.565 4.904 4.340 -0.001 0.000 0.262 1596 L C 0.344 177.192 176.870 -0.036 0.000 1.072 1596 L CA -0.604 54.201 54.840 -0.058 0.000 0.798 1596 L CB 0.951 42.979 42.059 -0.051 0.000 1.307 1596 L HN 0.096 nan 8.230 nan 0.000 0.475 1597 S N -1.299 114.381 115.700 -0.032 0.000 2.592 1597 S HA 0.450 4.920 4.470 -0.001 0.000 0.275 1597 S C -1.291 173.231 174.600 -0.129 0.000 1.169 1597 S CA -0.678 57.520 58.200 -0.003 0.000 0.958 1597 S CB 1.110 64.420 63.200 0.183 0.000 1.095 1597 S HN 0.220 nan 8.310 nan 0.000 0.471 1598 Y N 2.036 122.128 120.300 -0.347 0.000 2.301 1598 Y HA 0.476 5.025 4.550 -0.001 0.000 0.328 1598 Y C 0.530 176.309 175.900 -0.202 0.000 1.242 1598 Y CA -0.569 57.212 58.100 -0.531 0.000 1.323 1598 Y CB 0.532 38.199 38.460 -1.321 0.000 1.266 1598 Y HN 0.405 nan 8.280 nan 0.000 0.527 1599 I N 3.910 124.523 120.570 0.071 0.000 2.447 1599 I HA 0.216 4.386 4.170 -0.001 0.000 0.287 1599 I C -0.402 175.834 176.117 0.199 0.000 1.023 1599 I CA -0.876 60.493 61.300 0.116 0.000 1.083 1599 I CB 1.436 39.446 38.000 0.017 0.000 1.245 1599 I HN 0.562 nan 8.210 nan 0.000 0.434 1600 I N 6.250 126.957 120.570 0.229 0.000 2.352 1600 I HA 0.133 4.303 4.170 -0.001 0.000 0.303 1600 I C 1.171 177.349 176.117 0.101 0.000 1.194 1600 I CA 0.149 61.563 61.300 0.190 0.000 1.518 1600 I CB -0.250 37.842 38.000 0.154 0.000 1.489 1600 I HN 0.625 nan 8.210 nan 0.000 0.702 1601 G N 4.226 113.085 108.800 0.098 0.000 2.568 1601 G HA2 0.249 4.208 3.960 -0.001 0.000 0.293 1601 G HA3 0.249 4.208 3.960 -0.001 0.000 0.293 1601 G C 0.930 175.857 174.900 0.045 0.000 1.347 1601 G CA -0.593 44.542 45.100 0.058 0.000 1.039 1601 G HN 0.666 nan 8.290 nan 0.000 0.523 1602 K N -0.988 119.433 120.400 0.035 0.000 2.152 1602 K HA -0.088 4.231 4.320 -0.001 0.000 0.206 1602 K C 0.476 177.109 176.600 0.055 0.000 1.048 1602 K CA 1.802 58.108 56.287 0.031 0.000 0.933 1602 K CB 0.044 32.561 32.500 0.028 0.000 0.721 1602 K HN 0.212 nan 8.250 nan 0.000 0.447 1603 D N 1.046 121.494 120.400 0.081 0.000 2.325 1603 D HA 0.036 4.676 4.640 -0.001 0.000 0.225 1603 D C -0.413 175.968 176.300 0.135 0.000 1.096 1603 D CA 0.319 54.391 54.000 0.120 0.000 0.844 1603 D CB 0.554 41.428 40.800 0.123 0.000 0.925 1603 D HN 0.128 nan 8.370 nan 0.000 0.513 1604 T N 1.075 115.682 114.554 0.088 0.000 2.743 1604 T HA 0.063 4.413 4.350 -0.001 0.000 0.293 1604 T C -0.320 174.346 174.700 -0.057 0.000 0.945 1604 T CA -0.621 61.514 62.100 0.058 0.000 1.030 1604 T CB 1.271 70.200 68.868 0.101 0.000 0.912 1604 T HN 0.136 nan 8.240 nan 0.000 0.483 1605 W N 5.698 126.720 121.300 -0.464 0.000 2.342 1605 W HA 0.491 5.150 4.660 -0.001 0.000 0.310 1605 W C -1.600 174.568 176.519 -0.585 0.000 1.128 1605 W CA -0.754 56.166 57.345 -0.707 0.000 1.322 1605 W CB 0.498 28.987 29.460 -1.617 0.000 1.251 1605 W HN 0.269 nan 8.180 nan 0.000 0.439 1606 V N 6.507 125.999 119.914 -0.704 0.000 2.357 1606 V HA 0.263 4.382 4.120 -0.001 0.000 0.284 1606 V C -0.215 175.550 176.094 -0.549 0.000 1.018 1606 V CA -0.540 61.458 62.300 -0.503 0.000 0.841 1606 V CB 1.429 33.004 31.823 -0.414 0.000 0.991 1606 V HN 0.529 nan 8.190 nan 0.000 0.437 1607 E N 2.785 122.841 120.200 -0.240 0.000 2.293 1607 E HA 0.413 4.763 4.350 -0.001 0.000 0.270 1607 E C -1.217 175.524 176.600 0.235 0.000 0.879 1607 E CA -0.920 55.440 56.400 -0.067 0.000 0.756 1607 E CB 1.836 31.558 29.700 0.036 0.000 1.208 1607 E HN 0.827 nan 8.360 nan 0.000 0.428 1608 H N 3.942 123.086 119.070 0.124 0.000 2.819 1608 H HA 0.100 4.656 4.556 -0.001 0.000 0.303 1608 H C -1.230 174.108 175.328 0.017 0.000 1.058 1608 H CA -0.216 55.879 56.048 0.078 0.000 1.471 1608 H CB 0.512 30.296 29.762 0.037 0.000 1.480 1608 H HN 0.336 nan 8.280 nan 0.000 0.517 1609 W N 9.341 130.238 121.300 -0.671 0.000 2.308 1609 W HA 0.276 4.935 4.660 -0.001 0.000 0.311 1609 W C -2.741 173.463 176.519 -0.525 0.000 1.088 1609 W CA -2.997 54.101 57.345 -0.413 0.000 1.309 1609 W CB 0.698 30.017 29.460 -0.234 0.000 1.229 1609 W HN 0.631 nan 8.180 nan 0.000 0.427 1610 P HA -0.088 nan 4.420 nan 0.000 0.267 1610 P C -0.094 177.305 177.300 0.165 0.000 1.201 1610 P CA 0.508 63.638 63.100 0.050 0.000 0.775 1610 P CB 0.846 32.556 31.700 0.017 0.000 0.854 1611 E N 0.888 121.165 120.200 0.128 0.000 2.405 1611 E HA -0.016 4.333 4.350 -0.001 0.000 0.253 1611 E C 1.247 177.895 176.600 0.080 0.000 1.257 1611 E CA 0.003 56.473 56.400 0.117 0.000 0.960 1611 E CB 0.216 29.983 29.700 0.111 0.000 1.077 1611 E HN 0.351 nan 8.360 nan 0.000 0.512 1612 E N 0.348 120.577 120.200 0.048 0.000 2.051 1612 E HA -0.182 4.168 4.350 -0.001 0.000 0.192 1612 E C 0.593 177.215 176.600 0.038 0.000 0.991 1612 E CA 2.016 58.438 56.400 0.036 0.000 0.799 1612 E CB -0.170 29.541 29.700 0.018 0.000 0.748 1612 E HN 0.559 nan 8.360 nan 0.000 0.449 1613 D N -0.679 119.744 120.400 0.038 0.000 2.336 1613 D HA -0.008 4.632 4.640 -0.001 0.000 0.228 1613 D C 0.686 177.006 176.300 0.033 0.000 1.120 1613 D CA 0.125 54.144 54.000 0.031 0.000 0.839 1613 D CB 0.010 40.826 40.800 0.028 0.000 0.932 1613 D HN 0.382 nan 8.370 nan 0.000 0.509 1614 E N -0.677 119.548 120.200 0.042 0.000 2.413 1614 E HA 0.073 4.422 4.350 -0.001 0.000 0.203 1614 E C 1.062 177.680 176.600 0.029 0.000 0.957 1614 E CA -0.004 56.422 56.400 0.043 0.000 0.950 1614 E CB 0.239 29.980 29.700 0.067 0.000 0.957 1614 E HN 0.231 nan 8.360 nan 0.000 0.497 1615 c N 2.059 120.674 118.600 0.026 0.000 2.466 1615 c HA -0.012 4.558 4.570 -0.001 0.000 0.283 1615 c C 2.237 176.331 174.090 0.006 0.000 1.472 1615 c CA 0.292 56.627 56.329 0.009 0.000 1.765 1615 c CB -0.625 41.891 42.510 0.009 0.000 1.724 1615 c HN 0.396 nan 8.230 nan 0.000 0.560 1616 Q N 0.773 120.580 119.800 0.011 0.000 2.230 1616 Q HA -0.008 4.332 4.340 -0.001 0.000 0.202 1616 Q C 0.632 176.634 176.000 0.005 0.000 0.963 1616 Q CA 0.811 56.618 55.803 0.008 0.000 0.866 1616 Q CB -0.527 28.217 28.738 0.011 0.000 0.931 1616 Q HN 0.627 nan 8.270 nan 0.000 0.452 1617 D N 2.357 122.761 120.400 0.006 0.000 2.458 1617 D HA -0.082 4.558 4.640 -0.001 0.000 0.243 1617 D C 0.637 176.935 176.300 -0.003 0.000 1.146 1617 D CA 0.144 54.145 54.000 0.002 0.000 0.877 1617 D CB 0.662 41.465 40.800 0.004 0.000 1.176 1617 D HN 0.242 nan 8.370 nan 0.000 0.461 1618 E N 2.047 122.245 120.200 -0.004 0.000 2.461 1618 E HA -0.060 4.290 4.350 -0.001 0.000 0.196 1618 E C 0.290 176.884 176.600 -0.009 0.000 1.129 1618 E CA 0.537 56.933 56.400 -0.006 0.000 0.902 1618 E CB -0.020 29.677 29.700 -0.006 0.000 0.963 1618 E HN 0.577 nan 8.360 nan 0.000 0.503 1619 E N 0.138 120.332 120.200 -0.010 0.000 2.508 1619 E HA 0.118 4.467 4.350 -0.001 0.000 0.217 1619 E C 0.705 177.296 176.600 -0.016 0.000 0.896 1619 E CA 0.005 56.398 56.400 -0.013 0.000 1.118 1619 E CB 0.403 30.096 29.700 -0.013 0.000 1.133 1619 E HN 0.320 nan 8.360 nan 0.000 0.526 1620 N N 0.651 119.343 118.700 -0.014 0.000 2.205 1620 N HA 0.044 4.783 4.740 -0.001 0.000 0.201 1620 N C 1.319 176.810 175.510 -0.031 0.000 1.128 1620 N CA -0.060 52.979 53.050 -0.018 0.000 0.867 1620 N CB 0.475 38.960 38.487 -0.004 0.000 0.996 1620 N HN 0.049 nan 8.380 nan 0.000 0.503 1621 Q N 0.954 120.739 119.800 -0.026 0.000 2.079 1621 Q HA -0.120 4.220 4.340 -0.001 0.000 0.200 1621 Q C 1.750 177.726 176.000 -0.040 0.000 0.974 1621 Q CA 1.135 56.920 55.803 -0.029 0.000 0.840 1621 Q CB 0.018 28.745 28.738 -0.019 0.000 0.898 1621 Q HN 0.064 nan 8.270 nan 0.000 0.430 1622 K N 1.185 121.564 120.400 -0.036 0.000 2.211 1622 K HA -0.204 4.116 4.320 -0.001 0.000 0.204 1622 K C 1.782 178.348 176.600 -0.056 0.000 1.047 1622 K CA 1.438 57.703 56.287 -0.038 0.000 0.935 1622 K CB 0.023 32.506 32.500 -0.028 0.000 0.728 1622 K HN 0.196 nan 8.250 nan 0.000 0.452 1623 Q N -1.404 118.352 119.800 -0.073 0.000 2.297 1623 Q HA -0.007 4.333 4.340 -0.001 0.000 0.203 1623 Q C 1.743 177.631 176.000 -0.187 0.000 0.931 1623 Q CA 0.850 56.583 55.803 -0.116 0.000 0.885 1623 Q CB 0.072 28.746 28.738 -0.107 0.000 0.991 1623 Q HN 0.379 nan 8.270 nan 0.000 0.498 1624 c N 1.005 119.512 118.600 -0.155 0.000 2.440 1624 c HA -0.076 4.494 4.570 -0.001 0.000 0.278 1624 c C 2.447 176.459 174.090 -0.129 0.000 1.295 1624 c CA 0.715 56.940 56.329 -0.173 0.000 1.738 1624 c CB -0.644 41.813 42.510 -0.089 0.000 1.987 1624 c HN 0.585 nan 8.230 nan 0.000 0.492 1625 Q N 0.484 120.234 119.800 -0.083 0.000 2.123 1625 Q HA -0.134 4.206 4.340 -0.001 0.000 0.199 1625 Q C 1.575 177.544 176.000 -0.051 0.000 0.966 1625 Q CA 1.206 56.978 55.803 -0.050 0.000 0.845 1625 Q CB -0.167 28.551 28.738 -0.035 0.000 0.907 1625 Q HN 0.637 nan 8.270 nan 0.000 0.439 1626 D N 0.862 121.218 120.400 -0.073 0.000 2.097 1626 D HA -0.095 4.544 4.640 -0.001 0.000 0.197 1626 D C 1.939 178.207 176.300 -0.054 0.000 0.984 1626 D CA 0.882 54.850 54.000 -0.053 0.000 0.826 1626 D CB -0.125 40.635 40.800 -0.067 0.000 0.973 1626 D HN 0.154 nan 8.370 nan 0.000 0.460 1627 L N 0.509 121.614 121.223 -0.197 0.000 2.056 1627 L HA -0.041 4.298 4.340 -0.001 0.000 0.207 1627 L C 2.540 179.370 176.870 -0.066 0.000 1.078 1627 L CA 1.398 56.043 54.840 -0.326 0.000 0.749 1627 L CB -0.690 40.757 42.059 -1.020 0.000 0.901 1627 L HN 0.097 nan 8.230 nan 0.000 0.433 1628 G N -0.527 108.247 108.800 -0.043 0.000 2.418 1628 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 1628 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 1628 G C 1.738 176.695 174.900 0.096 0.000 1.158 1628 G CA 0.783 45.939 45.100 0.092 0.000 0.771 1628 G HN 0.463 nan 8.290 nan 0.000 0.545 1629 A N 0.179 123.035 122.820 0.059 0.000 1.929 1629 A HA 0.174 4.494 4.320 -0.001 0.000 0.216 1629 A C 2.120 179.740 177.584 0.060 0.000 1.176 1629 A CA 1.274 53.333 52.037 0.037 0.000 0.628 1629 A CB -0.474 18.532 19.000 0.009 0.000 0.816 1629 A HN 0.392 nan 8.150 nan 0.000 0.444 1630 F N 1.457 121.391 119.950 -0.027 0.000 2.269 1630 F HA -0.124 4.402 4.527 -0.001 0.000 0.301 1630 F C 2.294 178.115 175.800 0.035 0.000 1.082 1630 F CA 2.025 60.015 58.000 -0.017 0.000 1.360 1630 F CB -0.355 38.638 39.000 -0.013 0.000 1.041 1630 F HN 0.198 nan 8.300 nan 0.000 0.512 1631 T N 0.147 114.798 114.554 0.162 0.000 2.668 1631 T HA -0.180 4.170 4.350 -0.001 0.000 0.262 1631 T C 1.720 176.414 174.700 -0.010 0.000 1.045 1631 T CA 1.799 63.975 62.100 0.126 0.000 1.152 1631 T CB -0.318 68.709 68.868 0.264 0.000 0.864 1631 T HN 0.359 nan 8.240 nan 0.000 0.419 1632 E N 0.989 121.191 120.200 0.004 0.000 2.150 1632 E HA -0.059 4.290 4.350 -0.001 0.000 0.193 1632 E C 2.209 178.773 176.600 -0.061 0.000 0.985 1632 E CA 0.814 57.206 56.400 -0.013 0.000 0.814 1632 E CB -0.142 29.556 29.700 -0.003 0.000 0.752 1632 E HN 0.284 nan 8.360 nan 0.000 0.466 1633 S N -0.479 115.135 115.700 -0.143 0.000 2.603 1633 S HA -0.010 4.459 4.470 -0.001 0.000 0.229 1633 S C 1.538 176.021 174.600 -0.194 0.000 0.972 1633 S CA 0.516 58.592 58.200 -0.207 0.000 0.935 1633 S CB 0.129 63.172 63.200 -0.262 0.000 0.769 1633 S HN 0.128 nan 8.310 nan 0.000 0.536 1634 M N 0.180 119.641 119.600 -0.233 0.000 2.838 1634 M HA 0.158 4.637 4.480 -0.001 0.000 0.251 1634 M C 2.165 178.412 176.300 -0.087 0.000 1.393 1634 M CA 0.799 55.957 55.300 -0.238 0.000 1.196 1634 M CB -0.998 31.343 32.600 -0.431 0.000 1.276 1634 M HN 0.293 nan 8.290 nan 0.000 0.541 1635 V N -1.920 117.966 119.914 -0.046 0.000 2.295 1635 V HA -0.115 4.004 4.120 -0.001 0.000 0.246 1635 V C 2.071 178.176 176.094 0.018 0.000 1.049 1635 V CA 1.982 64.282 62.300 0.001 0.000 1.024 1635 V CB -1.501 30.334 31.823 0.020 0.000 0.648 1635 V HN 0.282 nan 8.190 nan 0.000 0.447 1636 V N -1.927 118.017 119.914 0.049 0.000 3.263 1636 V HA 0.218 4.337 4.120 -0.001 0.000 0.248 1636 V C 1.869 178.004 176.094 0.069 0.000 1.145 1636 V CA 0.871 63.209 62.300 0.063 0.000 1.107 1636 V CB 0.559 32.439 31.823 0.095 0.000 0.797 1636 V HN 0.411 nan 8.190 nan 0.000 0.467 1637 F N 0.862 120.770 119.950 -0.070 0.000 2.231 1637 F HA 0.640 5.166 4.527 -0.001 0.000 0.267 1637 F C 1.401 177.152 175.800 -0.081 0.000 1.108 1637 F CA 1.584 59.540 58.000 -0.073 0.000 1.098 1637 F CB 0.056 39.005 39.000 -0.084 0.000 1.088 1637 F HN 0.334 nan 8.300 nan 0.000 0.541 1638 G N -1.202 107.674 108.800 0.127 0.000 2.384 1638 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.668 1638 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.668 1638 G C -1.394 173.508 174.900 0.004 0.000 1.280 1638 G CA -1.012 44.089 45.100 0.002 0.000 0.992 1638 G HN 0.492 nan 8.290 nan 0.000 0.512 1639 c N 1.706 120.281 118.600 -0.041 0.000 2.652 1639 c HA 0.489 5.059 4.570 -0.001 0.000 0.412 1639 c C 0.074 174.156 174.090 -0.013 0.000 1.294 1639 c CA 0.094 56.395 56.329 -0.046 0.000 2.127 1639 c CB 0.793 43.261 42.510 -0.069 0.000 2.691 1639 c HN 0.689 nan 8.230 nan 0.000 0.615 1640 P HA 0.004 nan 4.420 nan 0.000 0.249 1640 P C -0.040 177.257 177.300 -0.005 0.000 1.241 1640 P CA 0.732 63.838 63.100 0.010 0.000 0.781 1640 P CB 0.071 31.775 31.700 0.006 0.000 1.088 1641 N N 0.000 118.690 118.700 -0.016 0.000 1.763 1641 N HA 0.000 4.739 4.740 -0.001 0.000 0.220 1641 N CA 0.000 53.040 53.050 -0.016 0.000 0.885 1641 N CB 0.000 38.475 38.487 -0.019 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667