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_H 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 PXXXXXXXXX KNTMILEIcT RYRGDQDATM DATA SEQUENCE SILDISMMTG FAPDTDDLKQ LANGVDRYIS KYELDKAFSD RNTLIIYLDK DATA SEQUENCE VSHSEDDcLA FKVHQYFNVE LIQPGAVKVY AYYNLEEScT RFYHPEKEDG DATA SEQUENCE KLNKLcRDEL cRcAEENcFI QKSDDKVTLE 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 0.000 176.879 176.870 0.014 0.000 1.165 729 L CA 0.000 54.846 54.840 0.009 0.000 0.813 729 L CB 0.000 42.064 42.059 0.008 0.000 0.961 730 D N -0.417 119.990 120.400 0.012 0.000 2.389 730 D HA 0.151 4.791 4.640 0.000 0.000 0.206 730 D C 0.803 177.109 176.300 0.010 0.000 1.055 730 D CA 0.711 54.722 54.000 0.019 0.000 0.856 730 D CB 0.670 41.482 40.800 0.020 0.000 0.957 730 D HN 0.787 nan 8.370 nan 0.000 0.509 731 E N 0.552 120.744 120.200 -0.013 0.000 2.442 731 E HA -0.065 4.285 4.350 0.000 0.000 0.260 731 E C -0.113 176.428 176.600 -0.097 0.000 1.148 731 E CA 0.100 56.471 56.400 -0.048 0.000 0.976 731 E CB 0.440 30.101 29.700 -0.065 0.000 0.967 731 E HN 0.009 nan 8.360 nan 0.000 0.454 732 D N 2.001 122.296 120.400 -0.174 0.000 3.032 732 D HA 0.184 4.824 4.640 0.000 0.000 0.241 732 D C -0.768 175.203 176.300 -0.549 0.000 1.196 732 D CA 0.326 54.147 54.000 -0.298 0.000 0.927 732 D CB -0.600 40.013 40.800 -0.313 0.000 1.129 732 D HN 0.292 nan 8.370 nan 0.000 0.458 733 I N -0.230 120.075 120.570 -0.441 0.000 3.334 733 I HA 0.337 4.507 4.170 0.000 0.000 0.316 733 I C -1.237 174.750 176.117 -0.218 0.000 1.251 733 I CA -1.216 59.793 61.300 -0.485 0.000 0.929 733 I CB 1.735 39.333 38.000 -0.670 0.000 1.317 733 I HN -0.303 nan 8.210 nan 0.000 0.479 734 I N 2.782 123.261 120.570 -0.152 0.000 2.359 734 I HA 0.502 4.672 4.170 0.000 0.000 0.294 734 I C 0.549 176.647 176.117 -0.030 0.000 0.987 734 I CA 0.009 61.301 61.300 -0.013 0.000 1.225 734 I CB 1.475 39.506 38.000 0.053 0.000 1.366 734 I HN 0.521 nan 8.210 nan 0.000 0.466 735 A N 4.801 127.621 122.820 0.000 0.000 2.366 735 A HA 0.171 4.491 4.320 0.000 0.000 0.250 735 A C 1.396 178.990 177.584 0.017 0.000 1.099 735 A CA -0.125 51.913 52.037 0.002 0.000 0.794 735 A CB 0.207 19.215 19.000 0.013 0.000 1.056 735 A HN 0.812 nan 8.150 nan 0.000 0.499 736 E N -0.082 120.131 120.200 0.021 0.000 2.150 736 E HA -0.166 4.184 4.350 0.000 0.000 0.193 736 E C 1.137 177.759 176.600 0.036 0.000 0.985 736 E CA 1.582 58.001 56.400 0.032 0.000 0.814 736 E CB -0.021 29.699 29.700 0.034 0.000 0.752 736 E HN 0.718 nan 8.360 nan 0.000 0.466 737 E N 0.088 120.307 120.200 0.033 0.000 2.478 737 E HA -0.004 4.346 4.350 0.000 0.000 0.198 737 E C 0.766 177.387 176.600 0.035 0.000 1.046 737 E CA 0.456 56.876 56.400 0.033 0.000 0.870 737 E CB -0.097 29.621 29.700 0.030 0.000 0.818 737 E HN 0.309 nan 8.360 nan 0.000 0.527 738 N N -0.395 118.329 118.700 0.039 0.000 2.187 738 N HA 0.219 4.959 4.740 0.000 0.000 0.212 738 N C -0.591 174.951 175.510 0.053 0.000 1.152 738 N CA -0.085 52.992 53.050 0.045 0.000 0.872 738 N CB 0.822 39.339 38.487 0.050 0.000 1.025 738 N HN 0.024 nan 8.380 nan 0.000 0.514 739 I N 1.930 122.532 120.570 0.054 0.000 2.337 739 I HA 0.201 4.371 4.170 0.000 0.000 0.285 739 I C -0.420 175.731 176.117 0.056 0.000 1.041 739 I CA -0.667 60.671 61.300 0.064 0.000 1.199 739 I CB 1.358 39.402 38.000 0.072 0.000 1.370 739 I HN -0.224 nan 8.210 nan 0.000 0.470 740 V N 5.758 125.704 119.914 0.053 0.000 2.415 740 V HA 0.083 4.203 4.120 0.000 0.000 0.267 740 V C 0.752 176.873 176.094 0.046 0.000 1.042 740 V CA 0.009 62.334 62.300 0.041 0.000 1.000 740 V CB 0.731 32.572 31.823 0.030 0.000 1.015 740 V HN 0.718 nan 8.190 nan 0.000 0.478 741 S N 5.629 121.357 115.700 0.046 0.000 2.576 741 S HA 0.354 4.824 4.470 0.000 0.000 0.276 741 S C 0.370 174.993 174.600 0.037 0.000 1.339 741 S CA -0.571 57.666 58.200 0.061 0.000 1.039 741 S CB 0.456 63.696 63.200 0.068 0.000 0.902 741 S HN 0.653 nan 8.310 nan 0.000 0.516 742 R N 1.433 121.971 120.500 0.065 0.000 2.298 742 R HA 0.243 4.583 4.340 0.000 0.000 0.310 742 R C 0.877 177.100 176.300 -0.128 0.000 1.068 742 R CA -0.134 55.935 56.100 -0.053 0.000 0.957 742 R CB 0.663 30.975 30.300 0.019 0.000 1.003 742 R HN 0.820 nan 8.270 nan 0.000 0.454 743 S N 1.156 116.645 115.700 -0.351 0.000 2.670 743 S HA 0.026 4.496 4.470 0.000 0.000 0.241 743 S C 0.238 174.522 174.600 -0.526 0.000 1.077 743 S CA -0.498 57.551 58.200 -0.251 0.000 0.899 743 S CB 0.257 63.413 63.200 -0.072 0.000 0.835 743 S HN 0.550 nan 8.310 nan 0.000 0.481 744 E N 1.571 121.412 120.200 -0.598 0.000 1.985 744 E HA 0.161 4.511 4.350 0.000 0.000 0.268 744 E C -1.448 174.787 176.600 -0.609 0.000 1.219 744 E CA 0.006 56.136 56.400 -0.450 0.000 0.942 744 E CB -0.132 29.370 29.700 -0.329 0.000 1.045 744 E HN 0.475 nan 8.360 nan 0.000 0.413 745 F N 3.281 123.255 119.950 0.040 0.000 2.530 745 F HA 0.280 4.807 4.527 0.000 0.000 0.318 745 F C -2.008 173.873 175.800 0.135 0.000 1.356 745 F CA -2.354 55.702 58.000 0.093 0.000 1.135 745 F CB 0.337 39.376 39.000 0.066 0.000 1.315 745 F HN 0.223 nan 8.300 nan 0.000 0.549 746 P HA 0.198 nan 4.420 nan 0.000 0.274 746 P C 0.504 178.065 177.300 0.434 0.000 1.231 746 P CA -0.160 63.103 63.100 0.271 0.000 0.790 746 P CB 1.188 32.992 31.700 0.173 0.000 0.951 747 E N -0.254 120.151 120.200 0.342 0.000 2.276 747 E HA 0.053 4.403 4.350 0.000 0.000 0.193 747 E C -0.116 176.729 176.600 0.409 0.000 0.983 747 E CA 0.451 57.055 56.400 0.340 0.000 0.861 747 E CB 0.221 30.040 29.700 0.199 0.000 0.817 747 E HN 0.501 nan 8.360 nan 0.000 0.485 748 S N 0.527 116.448 115.700 0.367 0.000 2.689 748 S HA 0.412 4.882 4.470 0.000 0.000 0.274 748 S C -0.846 173.945 174.600 0.319 0.000 1.176 748 S CA -1.160 57.222 58.200 0.303 0.000 1.014 748 S CB 0.690 63.988 63.200 0.163 0.000 1.071 748 S HN 0.342 nan 8.310 nan 0.000 0.478 749 W N 2.039 123.369 121.300 0.050 0.000 3.505 749 W HA 0.755 5.415 4.660 0.000 0.000 0.338 749 W C -0.223 176.328 176.519 0.053 0.000 1.159 749 W CA -1.473 55.878 57.345 0.010 0.000 0.981 749 W CB -0.491 28.899 29.460 -0.116 0.000 1.575 749 W HN 1.041 nan 8.180 nan 0.000 0.608 750 L N 1.552 122.876 121.223 0.168 0.000 3.634 750 L HA -0.233 4.107 4.340 0.000 0.000 0.423 750 L C 0.005 176.882 176.870 0.012 0.000 1.253 750 L CA 0.076 54.871 54.840 -0.075 0.000 0.885 750 L CB -1.507 40.146 42.059 -0.677 0.000 1.789 750 L HN 0.645 nan 8.230 nan 0.000 0.904 751 W N 2.528 123.804 121.300 -0.040 0.000 1.395 751 W HA 0.245 4.905 4.660 0.000 0.000 0.451 751 W C 0.379 176.885 176.519 -0.021 0.000 0.619 751 W CA -0.292 57.034 57.345 -0.032 0.000 2.212 751 W CB -0.349 29.111 29.460 -0.001 0.000 1.537 751 W HN 0.514 nan 8.180 nan 0.000 0.275 752 N N 0.179 118.792 118.700 -0.145 0.000 2.518 752 N HA 0.521 5.261 4.740 0.000 0.000 0.284 752 N C -1.364 174.009 175.510 -0.229 0.000 1.230 752 N CA -0.918 52.053 53.050 -0.132 0.000 0.941 752 N CB 2.126 40.580 38.487 -0.056 0.000 1.219 752 N HN -0.261 nan 8.380 nan 0.000 0.560 753 V N 1.178 121.002 119.914 -0.150 0.000 2.569 753 V HA 0.337 4.457 4.120 0.000 0.000 0.301 753 V C -0.974 175.064 176.094 -0.094 0.000 1.044 753 V CA -0.628 61.584 62.300 -0.148 0.000 0.874 753 V CB 1.572 33.315 31.823 -0.135 0.000 1.002 753 V HN 0.589 nan 8.190 nan 0.000 0.424 754 E N 2.413 122.558 120.200 -0.091 0.000 2.248 754 E HA 0.544 4.894 4.350 0.000 0.000 0.267 754 E C -1.600 174.964 176.600 -0.060 0.000 0.877 754 E CA -0.770 55.591 56.400 -0.065 0.000 0.759 754 E CB 2.834 32.499 29.700 -0.059 0.000 1.182 754 E HN 0.597 nan 8.360 nan 0.000 0.418 755 D N 1.533 121.905 120.400 -0.046 0.000 2.163 755 D HA 0.332 4.972 4.640 0.000 0.000 0.248 755 D C -0.127 176.151 176.300 -0.036 0.000 1.035 755 D CA -0.438 53.537 54.000 -0.041 0.000 0.872 755 D CB 1.358 42.138 40.800 -0.034 0.000 1.183 755 D HN 0.178 nan 8.370 nan 0.000 0.445 756 L N 2.883 124.085 121.223 -0.036 0.000 2.397 756 L HA 0.236 4.576 4.340 0.000 0.000 0.263 756 L C 1.208 178.062 176.870 -0.026 0.000 1.136 756 L CA -0.116 54.705 54.840 -0.032 0.000 1.019 756 L CB 0.209 42.247 42.059 -0.035 0.000 1.352 756 L HN 0.120 nan 8.230 nan 0.000 0.420 757 K N 0.796 121.182 120.400 -0.023 0.000 2.373 757 K HA 0.171 4.491 4.320 0.000 0.000 0.202 757 K C 0.080 176.669 176.600 -0.017 0.000 1.025 757 K CA -0.131 56.145 56.287 -0.019 0.000 1.115 757 K CB 0.614 33.103 32.500 -0.018 0.000 0.858 757 K HN 0.440 nan 8.250 nan 0.000 0.525 758 E N 1.554 121.743 120.200 -0.019 0.000 2.408 758 E HA 0.065 4.415 4.350 0.000 0.000 0.259 758 E C -2.499 174.092 176.600 -0.016 0.000 1.110 758 E CA -1.858 54.532 56.400 -0.017 0.000 0.929 758 E CB -0.225 29.464 29.700 -0.018 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 -0.014 0.000 1.173 759 P CA -0.541 62.551 63.100 -0.013 0.000 0.780 759 P CB -0.264 31.430 31.700 -0.011 0.000 0.758 760 P HA 0.240 nan 4.420 nan 0.000 0.275 760 P C -0.578 176.714 177.300 -0.014 0.000 1.227 760 P CA -0.040 63.051 63.100 -0.015 0.000 0.781 760 P CB 0.855 32.546 31.700 -0.014 0.000 0.906 761 K N 2.524 122.915 120.400 -0.015 0.000 2.613 761 K HA 0.277 4.597 4.320 0.000 0.000 0.248 761 K C -0.444 176.148 176.600 -0.013 0.000 0.959 761 K CA -0.614 55.666 56.287 -0.013 0.000 0.855 761 K CB 1.018 33.510 32.500 -0.013 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 -0.012 0.000 2.776 762 N HA -0.224 4.516 4.740 0.000 0.000 0.249 762 N C 0.448 175.950 175.510 -0.013 0.000 1.111 762 N CA 0.297 53.340 53.050 -0.012 0.000 0.711 762 N CB -0.675 37.805 38.487 -0.012 0.000 1.065 762 N HN 1.090 nan 8.380 nan 0.000 0.556 763 G N -0.460 108.332 108.800 -0.014 0.000 2.153 763 G HA2 -0.284 3.676 3.960 0.000 0.000 0.252 763 G HA3 -0.284 3.676 3.960 0.000 0.000 0.252 763 G C -0.104 174.785 174.900 -0.017 0.000 0.994 763 G CA 0.541 45.632 45.100 -0.015 0.000 0.698 763 G HN 0.437 nan 8.290 nan 0.000 0.521 764 I N 1.647 122.206 120.570 -0.019 0.000 2.466 764 I HA 0.356 4.526 4.170 0.000 0.000 0.279 764 I C 0.613 176.715 176.117 -0.024 0.000 1.033 764 I CA -0.820 60.467 61.300 -0.022 0.000 1.123 764 I CB 0.858 38.844 38.000 -0.023 0.000 1.237 764 I HN 0.026 nan 8.210 nan 0.000 0.460 765 S N 4.156 119.841 115.700 -0.026 0.000 2.614 765 S HA 0.578 5.048 4.470 0.000 0.000 0.265 765 S C 0.337 174.918 174.600 -0.031 0.000 1.303 765 S CA -0.171 58.014 58.200 -0.026 0.000 1.000 765 S CB 0.992 64.176 63.200 -0.026 0.000 0.935 765 S HN 0.615 nan 8.310 nan 0.000 0.551 766 T N 1.977 116.513 114.554 -0.030 0.000 3.170 766 T HA 0.324 4.674 4.350 0.000 0.000 0.315 766 T C -0.816 173.865 174.700 -0.032 0.000 0.967 766 T CA -0.691 61.388 62.100 -0.035 0.000 1.024 766 T CB 0.956 69.804 68.868 -0.033 0.000 1.018 766 T HN 0.516 nan 8.240 nan 0.000 0.449 767 K N 4.188 124.565 120.400 -0.037 0.000 2.206 767 K HA 0.610 4.930 4.320 0.000 0.000 0.264 767 K C -0.994 175.586 176.600 -0.033 0.000 0.967 767 K CA -0.833 55.435 56.287 -0.032 0.000 0.844 767 K CB 0.821 33.301 32.500 -0.033 0.000 1.099 767 K HN 0.498 nan 8.250 nan 0.000 0.441 768 L N 6.056 127.265 121.223 -0.022 0.000 2.264 768 L HA 0.391 4.731 4.340 0.000 0.000 0.287 768 L C -0.185 176.684 176.870 -0.003 0.000 1.039 768 L CA -0.542 54.287 54.840 -0.017 0.000 0.829 768 L CB 1.146 43.198 42.059 -0.012 0.000 1.211 768 L HN 0.615 nan 8.230 nan 0.000 0.427 769 M N 3.057 122.657 119.600 0.000 0.000 2.318 769 M HA 0.238 4.718 4.480 0.000 0.000 0.347 769 M C 0.014 176.344 176.300 0.050 0.000 1.175 769 M CA -0.016 55.298 55.300 0.024 0.000 1.075 769 M CB 1.464 34.074 32.600 0.017 0.000 1.614 769 M HN 0.474 nan 8.290 nan 0.000 0.456 770 N N 4.409 123.161 118.700 0.086 0.000 2.817 770 N HA 0.362 5.102 4.740 0.000 0.000 0.234 770 N C -0.884 174.758 175.510 0.221 0.000 1.066 770 N CA -0.387 52.729 53.050 0.110 0.000 0.926 770 N CB 0.594 39.146 38.487 0.107 0.000 1.176 770 N HN 0.594 nan 8.380 nan 0.000 0.506 771 I N -0.712 119.977 120.570 0.199 0.000 2.764 771 I HA 0.386 4.556 4.170 0.000 0.000 0.294 771 I C -0.833 175.487 176.117 0.338 0.000 1.045 771 I CA -0.518 60.984 61.300 0.337 0.000 1.340 771 I CB 0.743 38.925 38.000 0.304 0.000 1.436 771 I HN 0.200 nan 8.210 nan 0.000 0.567 772 F N 4.443 124.431 119.950 0.063 0.000 2.307 772 F HA 0.452 4.979 4.527 0.000 0.000 0.369 772 F C 0.066 175.701 175.800 -0.274 0.000 1.076 772 F CA -0.827 57.128 58.000 -0.074 0.000 1.149 772 F CB 1.083 40.023 39.000 -0.100 0.000 1.410 772 F HN 0.303 nan 8.300 nan 0.000 0.481 773 L N 4.440 125.597 121.223 -0.110 0.000 2.514 773 L HA 0.007 4.347 4.340 0.000 0.000 0.280 773 L C 0.769 177.397 176.870 -0.404 0.000 1.223 773 L CA -0.074 54.602 54.840 -0.274 0.000 0.864 773 L CB 0.156 42.204 42.059 -0.018 0.000 1.118 773 L HN 0.461 nan 8.230 nan 0.000 0.494 774 K N 1.817 121.825 120.400 -0.653 0.000 2.386 774 K HA 0.092 4.412 4.320 0.000 0.000 0.249 774 K C 0.505 177.020 176.600 -0.141 0.000 1.055 774 K CA -0.408 55.600 56.287 -0.465 0.000 0.930 774 K CB 0.318 32.447 32.500 -0.617 0.000 1.230 774 K HN 0.431 nan 8.250 nan 0.000 0.507 775 D N 0.038 120.329 120.400 -0.182 0.000 2.333 775 D HA -0.013 4.627 4.640 0.000 0.000 0.208 775 D C -0.145 176.197 176.300 0.069 0.000 0.984 775 D CA 0.508 54.411 54.000 -0.162 0.000 0.873 775 D CB -0.001 40.519 40.800 -0.466 0.000 0.935 775 D HN 0.192 nan 8.370 nan 0.000 0.521 776 S N 1.023 116.878 115.700 0.259 0.000 2.555 776 S HA 0.055 4.525 4.470 0.000 0.000 0.293 776 S C 0.797 175.471 174.600 0.122 0.000 1.248 776 S CA -0.065 58.380 58.200 0.409 0.000 1.096 776 S CB 0.164 63.614 63.200 0.416 0.000 0.881 776 S HN 0.145 nan 8.310 nan 0.000 0.498 777 I N 4.268 124.819 120.570 -0.031 0.000 2.260 777 I HA 0.205 4.375 4.170 0.000 0.000 0.297 777 I C 0.800 176.704 176.117 -0.354 0.000 1.143 777 I CA 0.050 61.193 61.300 -0.262 0.000 1.271 777 I CB -0.259 37.403 38.000 -0.562 0.000 1.461 777 I HN 0.556 nan 8.210 nan 0.000 0.530 778 T N 2.756 117.086 114.554 -0.373 0.000 2.649 778 T HA 0.312 4.662 4.350 0.000 0.000 0.305 778 T C -0.849 173.566 174.700 -0.474 0.000 1.409 778 T CA -0.329 61.507 62.100 -0.442 0.000 1.021 778 T CB 1.823 70.380 68.868 -0.519 0.000 1.726 778 T HN 0.264 nan 8.240 nan 0.000 0.475 779 T N 2.152 116.444 114.554 -0.437 0.000 2.756 779 T HA 0.523 4.873 4.350 0.000 0.000 0.290 779 T C -0.916 173.598 174.700 -0.311 0.000 0.985 779 T CA -0.242 61.674 62.100 -0.307 0.000 0.955 779 T CB 0.071 68.826 68.868 -0.188 0.000 0.930 779 T HN 0.409 nan 8.240 nan 0.000 0.451 780 W N 1.793 123.095 121.300 0.002 0.000 2.303 780 W HA 0.452 5.112 4.660 0.000 0.000 0.334 780 W C 0.830 177.316 176.519 -0.055 0.000 1.197 780 W CA -0.747 56.613 57.345 0.026 0.000 1.262 780 W CB 0.622 30.151 29.460 0.115 0.000 1.153 780 W HN 0.508 nan 8.180 nan 0.000 0.596 781 E N 2.819 123.143 120.200 0.207 0.000 2.186 781 E HA 0.320 4.670 4.350 0.000 0.000 0.255 781 E C -1.094 175.547 176.600 0.068 0.000 0.881 781 E CA -0.460 55.989 56.400 0.082 0.000 0.752 781 E CB 0.600 30.331 29.700 0.051 0.000 1.176 781 E HN 0.380 nan 8.360 nan 0.000 0.421 782 I N 5.075 125.682 120.570 0.061 0.000 2.325 782 I HA 0.181 4.351 4.170 0.000 0.000 0.291 782 I C -0.366 175.778 176.117 0.044 0.000 1.019 782 I CA -0.682 60.634 61.300 0.026 0.000 1.302 782 I CB 0.781 38.819 38.000 0.064 0.000 1.401 782 I HN 0.381 nan 8.210 nan 0.000 0.485 783 L N 7.412 128.636 121.223 0.002 0.000 2.313 783 L HA 0.766 5.106 4.340 0.000 0.000 0.283 783 L C -0.270 176.579 176.870 -0.037 0.000 1.013 783 L CA -0.134 54.707 54.840 0.002 0.000 0.816 783 L CB 1.326 43.393 42.059 0.013 0.000 1.236 783 L HN 0.675 nan 8.230 nan 0.000 0.419 784 A N 4.712 127.513 122.820 -0.033 0.000 2.350 784 A HA 0.854 5.174 4.320 0.000 0.000 0.324 784 A C -1.426 176.123 177.584 -0.058 0.000 1.118 784 A CA -0.544 51.456 52.037 -0.062 0.000 0.783 784 A CB 1.644 20.609 19.000 -0.059 0.000 1.236 784 A HN 0.512 nan 8.150 nan 0.000 0.457 785 V N 2.364 122.231 119.914 -0.078 0.000 2.524 785 V HA 0.482 4.602 4.120 0.000 0.000 0.297 785 V C 0.031 176.083 176.094 -0.070 0.000 1.035 785 V CA -0.422 61.838 62.300 -0.066 0.000 0.867 785 V CB 1.777 33.560 31.823 -0.068 0.000 1.004 785 V HN 1.085 nan 8.190 nan 0.000 0.426 786 S N 4.655 120.323 115.700 -0.054 0.000 2.508 786 S HA 0.803 5.273 4.470 0.000 0.000 0.284 786 S C -0.532 174.042 174.600 -0.043 0.000 1.192 786 S CA -0.660 57.509 58.200 -0.051 0.000 1.070 786 S CB 1.658 64.831 63.200 -0.044 0.000 1.004 786 S HN 0.672 nan 8.310 nan 0.000 0.493 787 M N 3.779 123.353 119.600 -0.043 0.000 2.065 787 M HA 0.433 4.913 4.480 0.000 0.000 0.308 787 M C -0.427 175.855 176.300 -0.030 0.000 0.939 787 M CA -0.173 55.106 55.300 -0.035 0.000 0.890 787 M CB 0.835 33.412 32.600 -0.037 0.000 1.383 787 M HN 0.763 nan 8.290 nan 0.000 0.381 788 S N 1.210 116.895 115.700 -0.026 0.000 2.541 788 S HA 0.404 4.874 4.470 0.000 0.000 0.283 788 S C 0.557 175.146 174.600 -0.019 0.000 1.196 788 S CA -0.578 57.609 58.200 -0.023 0.000 1.062 788 S CB 0.715 63.902 63.200 -0.022 0.000 1.009 788 S HN 0.737 nan 8.310 nan 0.000 0.502 789 D N 3.119 123.509 120.400 -0.017 0.000 2.336 789 D HA 0.095 4.735 4.640 0.000 0.000 0.229 789 D C 0.844 177.137 176.300 -0.013 0.000 1.061 789 D CA 0.537 54.529 54.000 -0.014 0.000 0.875 789 D CB 0.116 40.908 40.800 -0.013 0.000 0.904 789 D HN 0.516 nan 8.370 nan 0.000 0.525 790 K N -0.449 119.943 120.400 -0.013 0.000 2.380 790 K HA 0.172 4.492 4.320 0.000 0.000 0.200 790 K C 1.102 177.695 176.600 -0.012 0.000 1.201 790 K CA -0.044 56.236 56.287 -0.012 0.000 0.916 790 K CB 0.702 33.194 32.500 -0.013 0.000 1.187 790 K HN -0.145 nan 8.250 nan 0.000 0.498 791 K N 1.064 121.455 120.400 -0.014 0.000 2.399 791 K HA 0.217 4.537 4.320 0.000 0.000 0.204 791 K C 0.591 177.183 176.600 -0.014 0.000 1.023 791 K CA 0.373 56.652 56.287 -0.014 0.000 1.127 791 K CB 0.942 33.433 32.500 -0.015 0.000 0.856 791 K HN 0.360 nan 8.250 nan 0.000 0.514 792 G N 2.218 111.010 108.800 -0.014 0.000 2.601 792 G HA2 -0.325 3.635 3.960 0.000 0.000 0.261 792 G HA3 -0.325 3.635 3.960 0.000 0.000 0.261 792 G C -0.037 174.853 174.900 -0.016 0.000 1.289 792 G CA -0.141 44.951 45.100 -0.014 0.000 0.920 792 G HN 0.321 nan 8.290 nan 0.000 0.571 793 I N -0.491 120.070 120.570 -0.015 0.000 2.662 793 I HA 0.536 4.706 4.170 0.000 0.000 0.291 793 I C 0.306 176.413 176.117 -0.017 0.000 1.046 793 I CA -0.172 61.117 61.300 -0.018 0.000 1.361 793 I CB 0.929 38.920 38.000 -0.015 0.000 1.429 793 I HN 0.939 nan 8.210 nan 0.000 0.558 794 C N 6.929 126.217 119.300 -0.020 0.000 2.832 794 C HA 0.431 4.891 4.460 0.000 0.000 0.383 794 C C -0.926 174.052 174.990 -0.020 0.000 1.046 794 C CA -0.514 58.493 59.018 -0.018 0.000 1.242 794 C CB 0.500 28.228 27.740 -0.019 0.000 1.693 794 C HN 0.527 nan 8.230 nan 0.000 0.497 795 V N 6.456 126.362 119.914 -0.014 0.000 2.348 795 V HA 0.592 4.712 4.120 0.000 0.000 0.270 795 V C 1.089 177.178 176.094 -0.009 0.000 1.037 795 V CA 0.236 62.528 62.300 -0.012 0.000 0.872 795 V CB 0.919 32.739 31.823 -0.005 0.000 1.002 795 V HN 1.119 nan 8.190 nan 0.000 0.464 796 A N 4.290 127.102 122.820 -0.012 0.000 2.366 796 A HA 0.369 4.690 4.320 0.000 0.000 0.249 796 A C 0.086 177.676 177.584 0.011 0.000 1.084 796 A CA -0.495 51.538 52.037 -0.007 0.000 0.794 796 A CB 0.109 19.099 19.000 -0.017 0.000 1.034 796 A HN 0.777 nan 8.150 nan 0.000 0.491 797 D N 1.736 122.149 120.400 0.020 0.000 2.390 797 D HA 0.376 5.016 4.640 0.000 0.000 0.249 797 D C -2.189 174.152 176.300 0.069 0.000 1.144 797 D CA -0.592 53.431 54.000 0.039 0.000 0.880 797 D CB 0.098 40.922 40.800 0.041 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 -0.653 176.737 177.300 0.150 0.000 1.182 798 P CA -0.005 63.146 63.100 0.086 0.000 0.761 798 P CB 0.135 31.865 31.700 0.051 0.000 0.795 799 F N 3.190 123.142 119.950 0.003 0.000 2.402 799 F HA 0.298 4.825 4.527 0.000 0.000 0.355 799 F C 0.148 175.967 175.800 0.031 0.000 1.123 799 F CA -0.811 57.195 58.000 0.011 0.000 1.021 799 F CB 1.084 40.084 39.000 0.001 0.000 1.160 799 F HN 0.249 nan 8.300 nan 0.000 0.451 800 E N 4.753 124.613 120.200 -0.567 0.000 2.216 800 E HA 0.499 4.849 4.350 0.000 0.000 0.279 800 E C -1.216 174.993 176.600 -0.653 0.000 0.997 800 E CA -0.865 55.273 56.400 -0.437 0.000 0.817 800 E CB 2.323 31.886 29.700 -0.229 0.000 1.096 800 E HN 0.380 nan 8.360 nan 0.000 0.393 801 V N 3.135 122.875 119.914 -0.289 0.000 2.407 801 V HA 0.178 4.298 4.120 0.000 0.000 0.291 801 V C -0.221 175.875 176.094 0.004 0.000 1.018 801 V CA -0.736 61.483 62.300 -0.135 0.000 0.842 801 V CB 1.784 33.650 31.823 0.072 0.000 0.996 801 V HN 0.689 nan 8.190 nan 0.000 0.426 802 T N 4.876 119.401 114.554 -0.047 0.000 2.729 802 T HA 0.417 4.767 4.350 0.000 0.000 0.296 802 T C -0.082 174.610 174.700 -0.014 0.000 0.928 802 T CA -0.160 61.904 62.100 -0.060 0.000 1.045 802 T CB 1.038 69.853 68.868 -0.088 0.000 0.902 802 T HN 0.351 nan 8.240 nan 0.000 0.500 803 V N 5.894 125.793 119.914 -0.025 0.000 2.313 803 V HA 0.504 4.624 4.120 0.000 0.000 0.278 803 V C -0.072 175.955 176.094 -0.112 0.000 1.017 803 V CA -0.590 61.711 62.300 0.002 0.000 0.823 803 V CB 0.980 32.885 31.823 0.137 0.000 1.010 803 V HN 0.846 nan 8.190 nan 0.000 0.443 804 M N 3.619 123.154 119.600 -0.108 0.000 2.691 804 M HA 0.629 5.109 4.480 0.000 0.000 0.293 804 M C -1.416 174.838 176.300 -0.077 0.000 1.259 804 M CA -0.591 54.604 55.300 -0.175 0.000 0.827 804 M CB 2.974 35.475 32.600 -0.165 0.000 1.753 804 M HN 0.671 nan 8.290 nan 0.000 0.465 805 Q N 0.462 120.249 119.800 -0.022 0.000 2.345 805 Q HA 0.228 4.568 4.340 0.000 0.000 0.275 805 Q C -0.727 175.480 176.000 0.344 0.000 1.063 805 Q CA -0.634 55.258 55.803 0.148 0.000 0.819 805 Q CB 1.995 30.825 28.738 0.153 0.000 1.356 805 Q HN 0.753 nan 8.270 nan 0.000 0.418 806 D N 1.381 121.952 120.400 0.285 0.000 2.228 806 D HA -0.075 4.565 4.640 0.000 0.000 0.203 806 D C -0.246 176.330 176.300 0.459 0.000 0.988 806 D CA 1.518 55.712 54.000 0.322 0.000 0.864 806 D CB 0.081 41.003 40.800 0.202 0.000 0.928 806 D HN 0.307 nan 8.370 nan 0.000 0.469 807 F N -0.049 120.080 119.950 0.300 0.000 2.615 807 F HA 0.446 4.973 4.527 0.000 0.000 0.312 807 F C -1.662 174.348 175.800 0.349 0.000 1.119 807 F CA -1.190 56.939 58.000 0.215 0.000 0.979 807 F CB 0.941 40.004 39.000 0.105 0.000 1.266 807 F HN -0.155 nan 8.300 nan 0.000 0.444 808 F N 3.892 123.403 119.950 -0.732 0.000 2.877 808 F HA 0.769 5.296 4.527 0.000 0.000 0.319 808 F C -2.199 173.334 175.800 -0.444 0.000 1.174 808 F CA -1.583 56.104 58.000 -0.522 0.000 0.903 808 F CB 1.104 40.030 39.000 -0.122 0.000 1.357 808 F HN 0.323 nan 8.300 nan 0.000 0.472 809 I N 1.126 121.731 120.570 0.059 0.000 2.509 809 I HA 0.317 4.487 4.170 0.000 0.000 0.293 809 I C -1.372 174.900 176.117 0.258 0.000 1.020 809 I CA -0.507 60.827 61.300 0.057 0.000 1.088 809 I CB 1.882 39.893 38.000 0.019 0.000 1.267 809 I HN 0.589 nan 8.210 nan 0.000 0.430 810 D N 6.381 126.929 120.400 0.247 0.000 2.514 810 D HA 0.198 4.838 4.640 0.000 0.000 0.267 810 D C -0.749 175.606 176.300 0.092 0.000 1.165 810 D CA -0.574 53.567 54.000 0.234 0.000 0.958 810 D CB 0.526 41.598 40.800 0.452 0.000 0.992 810 D HN 0.193 nan 8.370 nan 0.000 0.506 811 L N 3.290 124.523 121.223 0.017 0.000 2.530 811 L HA 0.213 4.553 4.340 0.000 0.000 0.273 811 L C -0.043 176.801 176.870 -0.044 0.000 1.141 811 L CA 0.480 55.311 54.840 -0.015 0.000 0.905 811 L CB -0.044 41.989 42.059 -0.044 0.000 1.202 811 L HN 0.159 nan 8.230 nan 0.000 0.473 812 R N 5.821 126.315 120.500 -0.010 0.000 2.246 812 R HA 0.496 4.836 4.340 0.000 0.000 0.332 812 R C -1.244 175.048 176.300 -0.014 0.000 0.974 812 R CA -0.953 55.139 56.100 -0.013 0.000 0.837 812 R CB 0.963 31.272 30.300 0.014 0.000 1.145 812 R HN 0.388 nan 8.270 nan 0.000 0.467 813 L N 4.199 125.408 121.223 -0.024 0.000 2.334 813 L HA 0.489 4.829 4.340 0.000 0.000 0.276 813 L C -1.891 174.984 176.870 0.009 0.000 1.014 813 L CA -2.131 52.699 54.840 -0.016 0.000 0.815 813 L CB 0.942 42.981 42.059 -0.034 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 0.324 177.672 177.300 0.080 0.000 1.223 814 P CA -0.176 62.956 63.100 0.054 0.000 0.785 814 P CB 0.379 32.108 31.700 0.048 0.000 0.923 815 Y N 1.242 121.545 120.300 0.005 0.000 2.128 815 Y HA -0.159 4.391 4.550 0.000 0.000 0.284 815 Y C 0.646 176.560 175.900 0.022 0.000 1.154 815 Y CA 1.959 60.067 58.100 0.013 0.000 1.149 815 Y CB 0.015 38.481 38.460 0.011 0.000 0.976 815 Y HN 0.397 nan 8.280 nan 0.000 0.505 816 S N 0.001 115.708 115.700 0.013 0.000 2.536 816 S HA 0.622 5.092 4.470 0.000 0.000 0.271 816 S C -1.185 173.430 174.600 0.024 0.000 1.134 816 S CA -0.379 57.779 58.200 -0.070 0.000 0.897 816 S CB 1.670 64.855 63.200 -0.025 0.000 1.094 816 S HN 0.612 nan 8.310 nan 0.000 0.473 817 V N -0.036 119.885 119.914 0.011 0.000 2.540 817 V HA 0.798 4.918 4.120 0.000 0.000 0.302 817 V C -0.158 175.951 176.094 0.026 0.000 1.035 817 V CA -0.958 61.365 62.300 0.040 0.000 0.873 817 V CB 1.158 33.023 31.823 0.070 0.000 0.992 817 V HN 0.813 nan 8.190 nan 0.000 0.428 818 V N 4.248 124.180 119.914 0.029 0.000 2.637 818 V HA 0.265 4.385 4.120 0.000 0.000 0.296 818 V C 0.974 177.072 176.094 0.007 0.000 1.046 818 V CA -0.166 62.141 62.300 0.013 0.000 1.066 818 V CB 0.745 32.580 31.823 0.019 0.000 0.968 818 V HN 1.077 nan 8.190 nan 0.000 0.483 819 R N 4.165 124.655 120.500 -0.016 0.000 2.623 819 R HA 0.061 4.401 4.340 0.000 0.000 0.271 819 R C 1.012 177.301 176.300 -0.018 0.000 1.043 819 R CA 1.143 57.226 56.100 -0.029 0.000 1.083 819 R CB -0.308 29.964 30.300 -0.047 0.000 0.974 819 R HN 0.943 nan 8.270 nan 0.000 0.436 820 N N 0.321 119.007 118.700 -0.022 0.000 2.951 820 N HA -0.230 4.510 4.740 0.000 0.000 0.213 820 N C -1.061 174.443 175.510 -0.009 0.000 0.877 820 N CA 1.364 54.401 53.050 -0.021 0.000 1.042 820 N CB -0.585 37.888 38.487 -0.023 0.000 1.005 820 N HN 0.687 nan 8.380 nan 0.000 0.604 821 E N 1.851 122.056 120.200 0.009 0.000 2.290 821 E HA 0.075 4.425 4.350 0.000 0.000 0.277 821 E C -0.012 176.607 176.600 0.032 0.000 1.035 821 E CA -0.018 56.398 56.400 0.027 0.000 0.873 821 E CB 0.933 30.660 29.700 0.045 0.000 1.029 821 E HN 0.159 nan 8.360 nan 0.000 0.419 822 Q N 3.384 123.189 119.800 0.008 0.000 2.295 822 Q HA 0.253 4.593 4.340 0.000 0.000 0.259 822 Q C -0.755 175.299 176.000 0.090 0.000 0.976 822 Q CA -0.476 55.298 55.803 -0.048 0.000 0.923 822 Q CB 0.657 29.236 28.738 -0.264 0.000 1.185 822 Q HN 0.400 nan 8.270 nan 0.000 0.410 823 V N 0.621 120.601 119.914 0.110 0.000 3.102 823 V HA 0.609 4.729 4.120 0.000 0.000 0.312 823 V C -0.954 175.249 176.094 0.183 0.000 1.135 823 V CA -1.105 61.318 62.300 0.206 0.000 1.022 823 V CB 1.891 33.790 31.823 0.127 0.000 1.056 823 V HN 0.870 nan 8.190 nan 0.000 0.436 824 E N 2.151 122.474 120.200 0.205 0.000 2.151 824 E HA 0.612 4.962 4.350 0.000 0.000 0.275 824 E C -0.905 175.749 176.600 0.090 0.000 0.936 824 E CA -0.853 55.642 56.400 0.158 0.000 0.777 824 E CB 1.705 31.512 29.700 0.179 0.000 1.108 824 E HN 0.860 nan 8.360 nan 0.000 0.401 825 I N 1.311 121.932 120.570 0.084 0.000 2.460 825 I HA 0.583 4.753 4.170 0.000 0.000 0.298 825 I C -0.310 175.864 176.117 0.095 0.000 0.989 825 I CA -1.134 60.204 61.300 0.063 0.000 1.173 825 I CB 1.465 39.476 38.000 0.018 0.000 1.338 825 I HN 0.226 nan 8.210 nan 0.000 0.456 826 R N 4.297 124.836 120.500 0.065 0.000 2.457 826 R HA 0.721 5.061 4.340 0.000 0.000 0.284 826 R C -0.643 175.709 176.300 0.086 0.000 1.024 826 R CA -0.798 55.341 56.100 0.065 0.000 1.025 826 R CB 1.653 31.973 30.300 0.033 0.000 1.063 826 R HN 0.896 nan 8.270 nan 0.000 0.493 827 A N 2.658 125.538 122.820 0.100 0.000 2.815 827 A HA 0.342 4.662 4.320 0.000 0.000 0.318 827 A C -0.647 176.954 177.584 0.027 0.000 1.186 827 A CA -0.659 51.441 52.037 0.105 0.000 0.754 827 A CB 0.671 19.816 19.000 0.241 0.000 1.151 827 A HN 0.347 nan 8.150 nan 0.000 0.452 828 V N 2.773 122.669 119.914 -0.029 0.000 2.455 828 V HA 0.222 4.342 4.120 0.000 0.000 0.273 828 V C -0.278 175.652 176.094 -0.273 0.000 1.045 828 V CA -0.082 62.100 62.300 -0.198 0.000 0.976 828 V CB 0.773 32.417 31.823 -0.298 0.000 0.993 828 V HN 0.632 nan 8.190 nan 0.000 0.475 829 L N 6.710 127.746 121.223 -0.313 0.000 2.262 829 L HA 0.458 4.798 4.340 0.000 0.000 0.288 829 L C -0.397 176.219 176.870 -0.423 0.000 1.035 829 L CA -0.061 54.611 54.840 -0.280 0.000 0.820 829 L CB 0.481 42.520 42.059 -0.034 0.000 1.204 829 L HN 0.469 nan 8.230 nan 0.000 0.424 830 Y N 2.135 122.121 120.300 -0.523 0.000 2.310 830 Y HA 0.421 4.971 4.550 0.000 0.000 0.326 830 Y C 0.694 176.370 175.900 -0.374 0.000 1.151 830 Y CA -0.250 57.509 58.100 -0.569 0.000 1.195 830 Y CB 1.098 39.066 38.460 -0.820 0.000 1.210 830 Y HN 0.526 nan 8.280 nan 0.000 0.483 831 N N 2.241 120.817 118.700 -0.207 0.000 2.576 831 N HA 0.186 4.926 4.740 0.000 0.000 0.269 831 N C -1.602 173.806 175.510 -0.170 0.000 1.058 831 N CA -0.653 52.382 53.050 -0.025 0.000 0.860 831 N CB 0.200 38.711 38.487 0.040 0.000 1.249 831 N HN 0.538 nan 8.380 nan 0.000 0.525 832 Y N 1.454 121.847 120.300 0.155 0.000 2.708 832 Y HA 0.377 4.927 4.550 0.000 0.000 0.287 832 Y C 0.780 176.747 175.900 0.111 0.000 1.145 832 Y CA -0.647 57.534 58.100 0.135 0.000 1.249 832 Y CB 0.300 38.851 38.460 0.152 0.000 1.152 832 Y HN 0.178 nan 8.280 nan 0.000 0.532 833 R N 1.308 121.918 120.500 0.183 0.000 2.594 833 R HA 0.030 4.370 4.340 0.000 0.000 0.272 833 R C 0.972 177.341 176.300 0.115 0.000 1.074 833 R CA 0.058 56.238 56.100 0.132 0.000 1.105 833 R CB 0.993 31.349 30.300 0.092 0.000 1.008 833 R HN 0.487 nan 8.270 nan 0.000 0.472 834 Q N 2.100 121.961 119.800 0.102 0.000 1.927 834 Q HA -0.218 4.122 4.340 0.000 0.000 0.210 834 Q C 0.425 176.467 176.000 0.071 0.000 1.001 834 Q CA 2.014 57.869 55.803 0.086 0.000 0.862 834 Q CB -0.251 28.531 28.738 0.074 0.000 0.934 834 Q HN 0.671 nan 8.270 nan 0.000 0.420 835 N N -0.904 117.834 118.700 0.064 0.000 2.672 835 N HA 0.223 4.963 4.740 0.000 0.000 0.295 835 N C -1.446 174.094 175.510 0.050 0.000 1.924 835 N CA -0.417 52.662 53.050 0.049 0.000 0.851 835 N CB 0.854 39.363 38.487 0.037 0.000 1.281 835 N HN 0.207 nan 8.380 nan 0.000 0.494 836 Q N 1.075 120.914 119.800 0.064 0.000 2.533 836 Q HA 0.171 4.511 4.340 0.000 0.000 0.251 836 Q C -1.146 174.893 176.000 0.065 0.000 0.966 836 Q CA -0.442 55.407 55.803 0.078 0.000 0.714 836 Q CB 0.902 29.731 28.738 0.151 0.000 1.284 836 Q HN 0.446 nan 8.270 nan 0.000 0.478 837 E N 3.819 124.039 120.200 0.035 0.000 2.376 837 E HA 0.172 4.522 4.350 0.000 0.000 0.266 837 E C -0.819 175.800 176.600 0.031 0.000 1.009 837 E CA -0.172 56.241 56.400 0.023 0.000 0.902 837 E CB 0.807 30.509 29.700 0.004 0.000 0.972 837 E HN 0.502 nan 8.360 nan 0.000 0.439 838 L N 3.039 124.277 121.223 0.024 0.000 2.289 838 L HA 0.267 4.607 4.340 0.000 0.000 0.285 838 L C 0.156 177.037 176.870 0.018 0.000 1.049 838 L CA -1.112 53.736 54.840 0.013 0.000 0.804 838 L CB 1.090 43.097 42.059 -0.086 0.000 1.195 838 L HN 0.572 nan 8.230 nan 0.000 0.428 839 K N 3.398 123.829 120.400 0.052 0.000 2.262 839 K HA 0.336 4.656 4.320 0.000 0.000 0.288 839 K C -1.002 175.690 176.600 0.153 0.000 1.090 839 K CA -0.218 56.112 56.287 0.071 0.000 0.918 839 K CB 0.295 32.826 32.500 0.051 0.000 1.139 839 K HN 0.334 nan 8.250 nan 0.000 0.462 840 V N 4.740 124.725 119.914 0.118 0.000 2.612 840 V HA 0.470 4.590 4.120 0.000 0.000 0.301 840 V C -0.016 176.209 176.094 0.218 0.000 1.046 840 V CA -0.885 61.497 62.300 0.138 0.000 0.946 840 V CB 1.476 33.374 31.823 0.126 0.000 1.003 840 V HN 0.732 nan 8.190 nan 0.000 0.459 841 R N 3.049 123.681 120.500 0.219 0.000 2.358 841 R HA 0.663 5.003 4.340 0.000 0.000 0.309 841 R C -1.668 174.717 176.300 0.141 0.000 1.026 841 R CA -0.293 55.930 56.100 0.205 0.000 0.909 841 R CB 1.652 32.081 30.300 0.215 0.000 1.153 841 R HN 0.589 nan 8.270 nan 0.000 0.515 842 V N 3.615 123.608 119.914 0.133 0.000 2.472 842 V HA 0.464 4.584 4.120 0.000 0.000 0.290 842 V C -0.848 175.322 176.094 0.126 0.000 1.037 842 V CA -0.320 62.067 62.300 0.145 0.000 0.908 842 V CB 1.675 33.608 31.823 0.184 0.000 0.985 842 V HN 0.929 nan 8.190 nan 0.000 0.454 843 E N 4.780 125.042 120.200 0.104 0.000 2.293 843 E HA 0.446 4.796 4.350 0.000 0.000 0.270 843 E C -1.975 174.625 176.600 0.001 0.000 0.879 843 E CA -0.983 55.461 56.400 0.073 0.000 0.756 843 E CB 2.090 31.823 29.700 0.055 0.000 1.208 843 E HN 0.662 nan 8.360 nan 0.000 0.428 844 L N 5.516 126.724 121.223 -0.025 0.000 2.264 844 L HA 0.334 4.674 4.340 0.000 0.000 0.287 844 L C -1.348 175.499 176.870 -0.039 0.000 1.039 844 L CA -0.477 54.252 54.840 -0.186 0.000 0.829 844 L CB 0.496 42.295 42.059 -0.433 0.000 1.211 844 L HN 0.567 nan 8.230 nan 0.000 0.427 845 L N 4.484 125.687 121.223 -0.034 0.000 2.506 845 L HA 0.095 4.435 4.340 0.000 0.000 0.281 845 L C 0.347 177.250 176.870 0.055 0.000 1.228 845 L CA 0.531 55.389 54.840 0.032 0.000 0.850 845 L CB -0.146 41.928 42.059 0.025 0.000 1.110 845 L HN 0.666 nan 8.230 nan 0.000 0.496 846 H N 3.088 122.173 119.070 0.025 0.000 2.629 846 H HA 0.386 4.942 4.556 0.000 0.000 0.357 846 H C -0.410 174.956 175.328 0.063 0.000 1.121 846 H CA -0.006 56.067 56.048 0.041 0.000 1.406 846 H CB 0.588 30.378 29.762 0.047 0.000 1.456 846 H HN 0.573 nan 8.280 nan 0.000 0.579 847 N N 4.728 122.979 118.700 -0.749 0.000 2.542 847 N HA 0.140 4.880 4.740 0.000 0.000 0.288 847 N C -2.336 172.877 175.510 -0.496 0.000 1.115 847 N CA -1.940 50.843 53.050 -0.444 0.000 0.924 847 N CB 1.940 40.427 38.487 -0.001 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 0.804 178.034 177.300 -0.118 0.000 1.144 848 P CA 0.900 63.934 63.100 -0.110 0.000 0.800 848 P CB 0.324 32.029 31.700 0.009 0.000 0.772 849 A N -1.703 121.009 122.820 -0.181 0.000 2.067 849 A HA 0.073 4.393 4.320 0.000 0.000 0.217 849 A C 0.897 178.136 177.584 -0.575 0.000 1.156 849 A CA 0.678 52.493 52.037 -0.370 0.000 0.683 849 A CB -0.671 18.046 19.000 -0.472 0.000 0.808 849 A HN 0.120 nan 8.150 nan 0.000 0.455 850 F N -2.888 116.996 119.950 -0.111 0.000 2.575 850 F HA 0.520 5.047 4.527 0.000 0.000 0.330 850 F C 0.072 175.823 175.800 -0.083 0.000 1.056 850 F CA -1.040 56.905 58.000 -0.093 0.000 0.964 850 F CB 1.589 40.530 39.000 -0.098 0.000 1.258 850 F HN -0.123 nan 8.300 nan 0.000 0.484 851 c N 2.895 121.580 118.600 0.143 0.000 2.362 851 c HA 0.754 5.324 4.570 0.000 0.000 0.309 851 c C -0.255 173.851 174.090 0.027 0.000 1.110 851 c CA -0.289 56.076 56.329 0.061 0.000 1.485 851 c CB -1.557 40.959 42.510 0.010 0.000 1.949 851 c HN 0.831 nan 8.230 nan 0.000 0.419 852 S N 4.616 120.331 115.700 0.024 0.000 2.841 852 S HA 0.568 5.038 4.470 0.000 0.000 0.318 852 S C 0.722 175.285 174.600 -0.062 0.000 1.127 852 S CA -0.806 57.364 58.200 -0.050 0.000 0.883 852 S CB 0.756 63.912 63.200 -0.074 0.000 1.271 852 S HN 0.574 nan 8.310 nan 0.000 0.567 853 L N 0.472 121.591 121.223 -0.174 0.000 2.362 853 L HA 0.162 4.502 4.340 0.000 0.000 0.219 853 L C 1.360 178.235 176.870 0.008 0.000 1.134 853 L CA 0.859 55.623 54.840 -0.126 0.000 0.807 853 L CB -0.770 41.140 42.059 -0.249 0.000 0.927 853 L HN 0.776 nan 8.230 nan 0.000 0.447 854 A N 0.468 123.317 122.820 0.048 0.000 2.302 854 A HA 0.467 4.787 4.320 0.000 0.000 0.295 854 A C 0.487 178.182 177.584 0.184 0.000 1.235 854 A CA -0.219 51.906 52.037 0.146 0.000 0.876 854 A CB 0.012 19.120 19.000 0.179 0.000 1.133 854 A HN 0.298 nan 8.150 nan 0.000 0.533 855 T N -1.286 113.289 114.554 0.034 0.000 2.804 855 T HA 0.498 4.848 4.350 0.000 0.000 0.272 855 T C 1.424 175.808 174.700 -0.528 0.000 0.986 855 T CA 0.295 62.257 62.100 -0.230 0.000 0.999 855 T CB 0.477 69.265 68.868 -0.132 0.000 1.307 855 T HN 0.868 nan 8.240 nan 0.000 0.586 856 T N -1.417 112.718 114.554 -0.699 0.000 2.833 856 T HA 0.019 4.369 4.350 0.000 0.000 0.269 856 T C 1.308 175.919 174.700 -0.149 0.000 1.054 856 T CA 0.821 62.669 62.100 -0.421 0.000 1.135 856 T CB -0.394 68.328 68.868 -0.243 0.000 0.869 856 T HN 0.665 nan 8.240 nan 0.000 0.466 857 K N -0.205 120.132 120.400 -0.105 0.000 2.402 857 K HA 0.300 4.620 4.320 0.000 0.000 0.204 857 K C 0.626 177.218 176.600 -0.013 0.000 1.056 857 K CA -0.324 55.943 56.287 -0.032 0.000 1.069 857 K CB 0.914 33.410 32.500 -0.007 0.000 0.888 857 K HN 0.194 nan 8.250 nan 0.000 0.546 858 R N 1.509 121.995 120.500 -0.022 0.000 2.534 858 R HA 0.309 4.649 4.340 0.000 0.000 0.301 858 R C -1.098 175.229 176.300 0.046 0.000 0.961 858 R CA -0.562 55.547 56.100 0.015 0.000 0.871 858 R CB 1.158 31.469 30.300 0.018 0.000 1.170 858 R HN -0.052 nan 8.270 nan 0.000 0.446 859 R N 2.617 123.155 120.500 0.063 0.000 2.294 859 R HA 0.151 4.491 4.340 0.000 0.000 0.319 859 R C -0.374 176.003 176.300 0.128 0.000 0.984 859 R CA -0.605 55.549 56.100 0.090 0.000 0.861 859 R CB 1.214 31.552 30.300 0.064 0.000 1.104 859 R HN 0.521 nan 8.270 nan 0.000 0.451 860 H N 5.089 124.198 119.070 0.065 0.000 2.821 860 H HA 0.077 4.633 4.556 0.000 0.000 0.262 860 H C -0.960 174.436 175.328 0.113 0.000 1.402 860 H CA -0.291 55.809 56.048 0.086 0.000 1.293 860 H CB 0.558 30.387 29.762 0.112 0.000 1.533 860 H HN 0.609 nan 8.280 nan 0.000 0.528 861 Q N 3.701 123.402 119.800 -0.164 0.000 2.337 861 Q HA 0.379 4.719 4.340 0.000 0.000 0.270 861 Q C -1.191 174.707 176.000 -0.170 0.000 1.043 861 Q CA -1.199 54.536 55.803 -0.113 0.000 0.794 861 Q CB 2.420 31.158 28.738 -0.001 0.000 1.281 861 Q HN 0.410 nan 8.270 nan 0.000 0.446 862 Q N 0.702 120.408 119.800 -0.157 0.000 2.194 862 Q HA 0.569 4.909 4.340 0.000 0.000 0.245 862 Q C -0.738 175.235 176.000 -0.045 0.000 0.993 862 Q CA -0.422 55.271 55.803 -0.183 0.000 0.930 862 Q CB 1.962 30.552 28.738 -0.247 0.000 1.238 862 Q HN 0.707 nan 8.270 nan 0.000 0.486 863 T N 0.605 115.136 114.554 -0.038 0.000 3.305 863 T HA 0.420 4.770 4.350 0.000 0.000 0.348 863 T C -0.578 174.197 174.700 0.124 0.000 1.394 863 T CA -0.514 61.646 62.100 0.100 0.000 1.549 863 T CB -0.165 68.798 68.868 0.158 0.000 0.962 863 T HN 0.450 nan 8.240 nan 0.000 0.609 864 V N -0.050 119.911 119.914 0.079 0.000 3.234 864 V HA 0.886 5.006 4.120 0.000 0.000 0.317 864 V C -0.003 176.145 176.094 0.089 0.000 1.081 864 V CA -0.601 61.755 62.300 0.094 0.000 1.037 864 V CB 1.582 33.433 31.823 0.047 0.000 1.148 864 V HN 0.477 nan 8.190 nan 0.000 0.453 865 T N 2.215 116.817 114.554 0.080 0.000 2.861 865 T HA 0.706 5.056 4.350 0.000 0.000 0.287 865 T C -0.512 174.208 174.700 0.033 0.000 1.003 865 T CA -0.146 61.985 62.100 0.051 0.000 0.977 865 T CB 1.191 70.084 68.868 0.040 0.000 0.996 865 T HN 0.641 nan 8.240 nan 0.000 0.448 866 I N 4.176 124.761 120.570 0.024 0.000 2.389 866 I HA 0.356 4.526 4.170 0.000 0.000 0.288 866 I C -2.441 173.675 176.117 -0.002 0.000 0.999 866 I CA -2.746 58.559 61.300 0.008 0.000 1.129 866 I CB 2.038 40.049 38.000 0.019 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 -2.515 174.779 177.300 -0.011 0.000 1.215 867 P CA -1.048 62.042 63.100 -0.017 0.000 0.780 867 P CB -0.205 31.476 31.700 -0.032 0.000 0.898 868 P HA 0.040 nan 4.420 nan 0.000 0.268 868 P C -0.406 176.901 177.300 0.012 0.000 1.205 868 P CA 0.227 63.337 63.100 0.017 0.000 0.771 868 P CB 0.079 31.797 31.700 0.031 0.000 0.858 869 K N -0.497 119.907 120.400 0.007 0.000 3.096 869 K HA -0.116 4.204 4.320 0.000 0.000 0.266 869 K C 0.030 176.608 176.600 -0.038 0.000 1.043 869 K CA 0.788 57.084 56.287 0.015 0.000 0.758 869 K CB -2.104 30.453 32.500 0.094 0.000 1.260 869 K HN 0.761 nan 8.250 nan 0.000 0.481 870 S N -2.017 113.603 115.700 -0.134 0.000 2.752 870 S HA 0.741 5.211 4.470 0.000 0.000 0.284 870 S C -0.485 174.006 174.600 -0.181 0.000 1.189 870 S CA -0.324 57.825 58.200 -0.083 0.000 0.835 870 S CB 2.257 65.469 63.200 0.019 0.000 1.192 870 S HN 0.366 nan 8.310 nan 0.000 0.506 871 S N -0.072 115.546 115.700 -0.138 0.000 2.709 871 S HA 0.897 5.367 4.470 0.000 0.000 0.302 871 S C -1.395 173.085 174.600 -0.200 0.000 1.127 871 S CA -0.791 57.228 58.200 -0.303 0.000 0.905 871 S CB 1.366 64.232 63.200 -0.556 0.000 1.151 871 S HN 1.570 nan 8.310 nan 0.000 0.510 872 L N 1.087 122.156 121.223 -0.257 0.000 2.562 872 L HA 0.636 4.976 4.340 0.000 0.000 0.266 872 L C -0.481 176.300 176.870 -0.148 0.000 0.949 872 L CA -0.101 54.657 54.840 -0.137 0.000 0.879 872 L CB 1.850 43.867 42.059 -0.069 0.000 1.278 872 L HN 0.925 nan 8.230 nan 0.000 0.404 873 S N 3.438 119.077 115.700 -0.102 0.000 2.565 873 S HA 0.788 5.258 4.470 0.000 0.000 0.274 873 S C -0.756 173.807 174.600 -0.062 0.000 1.309 873 S CA -0.342 57.809 58.200 -0.081 0.000 1.043 873 S CB 0.762 63.932 63.200 -0.051 0.000 0.939 873 S HN 0.511 nan 8.310 nan 0.000 0.504 874 V N 7.495 127.374 119.914 -0.057 0.000 2.380 874 V HA 0.392 4.512 4.120 0.000 0.000 0.286 874 V C -2.382 173.593 176.094 -0.199 0.000 1.015 874 V CA -1.795 60.430 62.300 -0.126 0.000 0.834 874 V CB 1.373 33.147 31.823 -0.082 0.000 1.009 874 V HN 0.741 nan 8.190 nan 0.000 0.428 875 P HA 0.324 nan 4.420 nan 0.000 0.272 875 P C -1.372 175.684 177.300 -0.406 0.000 1.223 875 P CA -0.017 62.971 63.100 -0.185 0.000 0.784 875 P CB 0.300 31.935 31.700 -0.109 0.000 0.923 876 Y N -0.305 120.015 120.300 0.032 0.000 2.298 876 Y HA 0.237 4.787 4.550 0.000 0.000 0.322 876 Y C -0.340 175.543 175.900 -0.028 0.000 1.138 876 Y CA -1.001 57.104 58.100 0.009 0.000 1.127 876 Y CB 1.228 39.686 38.460 -0.004 0.000 1.178 876 Y HN 0.103 nan 8.280 nan 0.000 0.428 877 V N 4.106 124.069 119.914 0.081 0.000 2.461 877 V HA 0.762 4.882 4.120 0.000 0.000 0.275 877 V C 0.008 176.080 176.094 -0.038 0.000 1.047 877 V CA -0.419 61.883 62.300 0.002 0.000 0.955 877 V CB 0.436 32.207 31.823 -0.087 0.000 0.988 877 V HN 0.633 nan 8.190 nan 0.000 0.471 878 I N 2.299 122.852 120.570 -0.029 0.000 2.969 878 I HA 0.900 5.070 4.170 0.000 0.000 0.307 878 I C -1.123 175.021 176.117 0.045 0.000 1.149 878 I CA -1.226 60.068 61.300 -0.010 0.000 1.008 878 I CB 2.622 40.572 38.000 -0.083 0.000 1.232 878 I HN 0.350 nan 8.210 nan 0.000 0.435 879 V N 3.048 123.032 119.914 0.116 0.000 2.462 879 V HA 0.392 4.512 4.120 0.000 0.000 0.288 879 V C -2.460 173.710 176.094 0.127 0.000 1.020 879 V CA -1.473 60.879 62.300 0.088 0.000 0.857 879 V CB 1.460 33.279 31.823 -0.006 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 0.453 177.664 177.300 -0.148 0.000 1.193 880 P CA 0.397 63.433 63.100 -0.105 0.000 0.765 880 P CB 0.845 32.527 31.700 -0.029 0.000 0.823 881 L N 2.144 123.219 121.223 -0.248 0.000 2.547 881 L HA 0.206 4.546 4.340 0.000 0.000 0.218 881 L C 0.934 177.723 176.870 -0.135 0.000 1.048 881 L CA 0.418 55.167 54.840 -0.150 0.000 0.859 881 L CB -0.194 41.787 42.059 -0.129 0.000 1.128 881 L HN 0.339 nan 8.230 nan 0.000 0.483 882 K N 0.673 120.956 120.400 -0.194 0.000 2.324 882 K HA 0.471 4.791 4.320 0.000 0.000 0.253 882 K C -0.276 176.233 176.600 -0.151 0.000 0.932 882 K CA -0.607 55.596 56.287 -0.141 0.000 0.799 882 K CB 1.748 34.175 32.500 -0.123 0.000 1.154 882 K HN -0.084 nan 8.250 nan 0.000 0.425 883 T N -0.686 113.806 114.554 -0.103 0.000 2.766 883 T HA 0.556 4.906 4.350 0.000 0.000 0.295 883 T C 0.749 175.397 174.700 -0.086 0.000 1.024 883 T CA 0.287 62.332 62.100 -0.092 0.000 1.018 883 T CB 0.588 69.412 68.868 -0.073 0.000 1.002 883 T HN 1.208 nan 8.240 nan 0.000 0.532 884 G N -0.140 108.616 108.800 -0.073 0.000 2.603 884 G HA2 0.111 4.071 3.960 0.000 0.000 0.686 884 G HA3 0.111 4.071 3.960 0.000 0.000 0.686 884 G C -0.796 174.071 174.900 -0.055 0.000 1.286 884 G CA -0.538 44.527 45.100 -0.058 0.000 0.871 884 G HN 1.298 nan 8.290 nan 0.000 0.568 885 L N 1.358 122.558 121.223 -0.038 0.000 2.617 885 L HA 0.353 4.693 4.340 0.000 0.000 0.282 885 L C 1.021 177.890 176.870 -0.001 0.000 1.174 885 L CA 0.080 54.908 54.840 -0.021 0.000 1.016 885 L CB -0.171 41.880 42.059 -0.013 0.000 1.337 885 L HN 0.586 nan 8.230 nan 0.000 0.460 886 Q N 3.228 123.040 119.800 0.019 0.000 2.189 886 Q HA 0.336 4.676 4.340 0.000 0.000 0.193 886 Q C -0.433 175.665 176.000 0.162 0.000 1.034 886 Q CA -0.264 55.578 55.803 0.064 0.000 1.062 886 Q CB 0.859 29.593 28.738 -0.007 0.000 1.118 886 Q HN 0.664 nan 8.270 nan 0.000 0.569 887 E N 0.031 120.384 120.200 0.256 0.000 2.260 887 E HA 0.431 4.781 4.350 0.000 0.000 0.266 887 E C -1.625 175.064 176.600 0.148 0.000 0.887 887 E CA -0.388 56.114 56.400 0.169 0.000 0.777 887 E CB 1.490 31.250 29.700 0.101 0.000 1.205 887 E HN 0.218 nan 8.360 nan 0.000 0.414 888 V N 4.073 123.977 119.914 -0.017 0.000 2.435 888 V HA 0.427 4.547 4.120 0.000 0.000 0.290 888 V C -0.310 175.724 176.094 -0.100 0.000 1.030 888 V CA -0.549 61.638 62.300 -0.188 0.000 0.881 888 V CB 1.552 33.165 31.823 -0.350 0.000 0.983 888 V HN 0.740 nan 8.190 nan 0.000 0.445 889 E N 3.463 123.598 120.200 -0.108 0.000 2.263 889 E HA 0.672 5.022 4.350 0.000 0.000 0.268 889 E C -1.509 175.035 176.600 -0.093 0.000 0.884 889 E CA -0.569 55.798 56.400 -0.056 0.000 0.766 889 E CB 2.258 31.953 29.700 -0.008 0.000 1.196 889 E HN 0.617 nan 8.360 nan 0.000 0.416 890 V N 0.874 120.746 119.914 -0.070 0.000 2.735 890 V HA 0.711 4.831 4.120 0.000 0.000 0.310 890 V C -0.873 175.223 176.094 0.003 0.000 1.061 890 V CA -0.839 61.412 62.300 -0.082 0.000 0.913 890 V CB 1.738 33.481 31.823 -0.132 0.000 1.005 890 V HN 0.597 nan 8.190 nan 0.000 0.428 891 K N 2.372 122.787 120.400 0.024 0.000 2.385 891 K HA 0.957 5.277 4.320 0.000 0.000 0.248 891 K C -0.902 175.759 176.600 0.100 0.000 0.955 891 K CA -0.576 55.752 56.287 0.068 0.000 0.816 891 K CB 2.577 35.114 32.500 0.061 0.000 1.250 891 K HN 1.251 nan 8.250 nan 0.000 0.434 892 A N 0.883 123.791 122.820 0.146 0.000 2.540 892 A HA 0.777 5.097 4.320 0.000 0.000 0.297 892 A C -1.812 175.920 177.584 0.246 0.000 1.056 892 A CA -0.596 51.562 52.037 0.201 0.000 0.700 892 A CB 1.708 20.872 19.000 0.274 0.000 1.280 892 A HN 0.691 nan 8.150 nan 0.000 0.398 893 A N 0.977 123.877 122.820 0.133 0.000 2.454 893 A HA 0.844 5.164 4.320 0.000 0.000 0.302 893 A C -0.214 177.321 177.584 -0.082 0.000 1.079 893 A CA -0.134 51.925 52.037 0.037 0.000 0.731 893 A CB 1.294 20.270 19.000 -0.040 0.000 1.299 893 A HN 2.186 nan 8.150 nan 0.000 0.413 894 V N -0.720 119.091 119.914 -0.172 0.000 2.617 894 V HA 0.646 4.766 4.120 0.000 0.000 0.298 894 V C -0.599 175.405 176.094 -0.150 0.000 1.048 894 V CA -0.870 61.344 62.300 -0.143 0.000 0.964 894 V CB 0.466 32.148 31.823 -0.235 0.000 1.004 894 V HN 0.665 nan 8.190 nan 0.000 0.466 895 Y N 4.072 124.291 120.300 -0.135 0.000 2.346 895 Y HA 0.380 4.930 4.550 0.000 0.000 0.330 895 Y C 1.547 177.332 175.900 -0.191 0.000 1.178 895 Y CA 1.091 59.046 58.100 -0.241 0.000 1.331 895 Y CB 0.160 38.488 38.460 -0.220 0.000 1.253 895 Y HN 0.921 nan 8.280 nan 0.000 0.529 896 H N -1.119 117.861 119.070 -0.151 0.000 4.919 896 H HA -0.304 4.252 4.556 0.000 0.000 0.068 896 H C 0.055 175.221 175.328 -0.269 0.000 0.578 896 H CA 1.571 57.493 56.048 -0.210 0.000 1.013 896 H CB -1.225 28.444 29.762 -0.155 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 0.000 0.000 0.339 897 H C 0.066 175.284 175.328 -0.183 0.000 1.081 897 H CA -0.200 55.818 56.048 -0.050 0.000 1.432 897 H CB 0.241 29.986 29.762 -0.028 0.000 1.462 897 H HN 0.038 nan 8.280 nan 0.000 0.557 898 F N 5.047 125.095 119.950 0.164 0.000 2.606 898 F HA 0.241 4.768 4.527 0.000 0.000 0.347 898 F C -0.212 175.628 175.800 0.067 0.000 1.207 898 F CA -0.016 58.030 58.000 0.077 0.000 1.306 898 F CB -0.354 38.685 39.000 0.063 0.000 1.657 898 F HN 0.249 nan 8.300 nan 0.000 0.606 899 I N 0.205 120.858 120.570 0.139 0.000 2.934 899 I HA 0.660 4.830 4.170 0.000 0.000 0.306 899 I C -0.393 175.818 176.117 0.156 0.000 1.110 899 I CA -0.843 60.543 61.300 0.143 0.000 1.019 899 I CB 2.474 40.532 38.000 0.096 0.000 1.227 899 I HN 0.177 nan 8.210 nan 0.000 0.434 900 S N 1.570 117.427 115.700 0.262 0.000 2.615 900 S HA 0.693 5.163 4.470 0.000 0.000 0.268 900 S C -1.880 172.902 174.600 0.303 0.000 1.146 900 S CA -0.777 57.606 58.200 0.305 0.000 0.818 900 S CB 2.632 65.939 63.200 0.178 0.000 1.111 900 S HN 0.723 nan 8.310 nan 0.000 0.465 901 D N -0.774 119.781 120.400 0.258 0.000 2.726 901 D HA 0.524 5.164 4.640 0.000 0.000 0.203 901 D C -0.402 175.976 176.300 0.130 0.000 1.297 901 D CA 0.210 54.309 54.000 0.165 0.000 0.863 901 D CB 1.383 42.255 40.800 0.120 0.000 1.669 901 D HN 0.968 nan 8.370 nan 0.000 0.561 902 G N 0.976 109.846 108.800 0.117 0.000 2.400 902 G HA2 0.617 4.577 3.960 0.000 0.000 0.333 902 G HA3 0.617 4.577 3.960 0.000 0.000 0.333 902 G C -0.932 174.045 174.900 0.129 0.000 1.143 902 G CA -0.573 44.588 45.100 0.103 0.000 0.914 902 G HN 0.353 nan 8.290 nan 0.000 0.480 903 V N 1.426 121.412 119.914 0.120 0.000 2.483 903 V HA 0.508 4.628 4.120 0.000 0.000 0.297 903 V C 0.140 176.317 176.094 0.139 0.000 1.027 903 V CA -0.801 61.604 62.300 0.176 0.000 0.855 903 V CB 1.698 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 3.886 124.516 120.500 0.216 0.000 2.860 904 R HA 0.390 4.730 4.340 0.000 0.000 0.282 904 R C -0.096 176.325 176.300 0.201 0.000 1.408 904 R CA -0.379 55.809 56.100 0.147 0.000 1.636 904 R CB 0.338 30.699 30.300 0.101 0.000 1.187 904 R HN 0.655 nan 8.270 nan 0.000 0.611 905 K N 0.393 120.879 120.400 0.144 0.000 2.090 905 K HA 0.359 4.679 4.320 0.000 0.000 0.250 905 K C -0.418 176.224 176.600 0.070 0.000 1.004 905 K CA -0.403 55.954 56.287 0.118 0.000 0.919 905 K CB 1.560 34.046 32.500 -0.024 0.000 1.045 905 K HN 0.173 nan 8.250 nan 0.000 0.471 906 S N 1.357 117.099 115.700 0.070 0.000 2.521 906 S HA 0.476 4.946 4.470 0.000 0.000 0.295 906 S C -0.902 173.714 174.600 0.028 0.000 1.098 906 S CA -0.983 57.251 58.200 0.057 0.000 0.999 906 S CB 0.858 64.094 63.200 0.061 0.000 1.034 906 S HN 0.521 nan 8.310 nan 0.000 0.483 907 L N 0.059 121.302 121.223 0.034 0.000 2.362 907 L HA 0.714 5.054 4.340 0.000 0.000 0.271 907 L C -0.850 176.004 176.870 -0.026 0.000 1.002 907 L CA -1.029 53.806 54.840 -0.008 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 2.408 122.728 120.400 -0.133 0.000 2.322 908 K HA 0.395 4.715 4.320 0.000 0.000 0.283 908 K C -0.867 175.673 176.600 -0.099 0.000 1.042 908 K CA -0.495 55.703 56.287 -0.149 0.000 0.958 908 K CB 1.758 34.084 32.500 -0.290 0.000 0.984 908 K HN 0.472 nan 8.250 nan 0.000 0.473 909 V N 4.564 124.437 119.914 -0.068 0.000 2.293 909 V HA 0.139 4.259 4.120 0.000 0.000 0.275 909 V C -0.215 175.838 176.094 -0.068 0.000 1.021 909 V CA -0.834 61.433 62.300 -0.054 0.000 0.815 909 V CB 1.080 32.861 31.823 -0.071 0.000 1.025 909 V HN 0.453 nan 8.190 nan 0.000 0.448 910 V N 8.236 128.112 119.914 -0.062 0.000 2.472 910 V HA 0.425 4.545 4.120 0.000 0.000 0.290 910 V C -1.437 174.611 176.094 -0.076 0.000 1.037 910 V CA -1.533 60.719 62.300 -0.079 0.000 0.908 910 V CB 1.920 33.701 31.823 -0.069 0.000 0.985 910 V HN 0.628 nan 8.190 nan 0.000 0.454 911 P HA 0.033 nan 4.420 nan 0.000 0.293 911 P C -0.606 176.654 177.300 -0.067 0.000 1.285 911 P CA -0.177 62.874 63.100 -0.082 0.000 0.775 911 P CB 0.395 32.037 31.700 -0.096 0.000 1.351 912 E N -0.987 119.186 120.200 -0.045 0.000 2.102 912 E HA 0.662 5.012 4.350 0.000 0.000 0.263 912 E C -0.066 176.532 176.600 -0.004 0.000 0.894 912 E CA -0.961 55.429 56.400 -0.017 0.000 0.746 912 E CB 0.703 30.402 29.700 -0.002 0.000 1.129 912 E HN 0.594 nan 8.360 nan 0.000 0.416 913 G N 2.275 111.083 108.800 0.012 0.000 2.548 913 G HA2 0.506 4.466 3.960 0.000 0.000 0.301 913 G HA3 0.506 4.466 3.960 0.000 0.000 0.301 913 G C -1.772 173.182 174.900 0.090 0.000 1.349 913 G CA -0.862 44.272 45.100 0.057 0.000 0.792 913 G HN 0.564 nan 8.290 nan 0.000 0.481 914 I N 0.058 120.676 120.570 0.080 0.000 2.619 914 I HA 0.539 4.709 4.170 0.000 0.000 0.292 914 I C -0.250 175.824 176.117 -0.072 0.000 1.100 914 I CA -1.123 60.194 61.300 0.028 0.000 1.043 914 I CB 1.836 39.832 38.000 -0.006 0.000 1.239 914 I HN 0.405 nan 8.210 nan 0.000 0.420 915 R N 6.883 127.322 120.500 -0.101 0.000 2.679 915 R HA 0.443 4.783 4.340 0.000 0.000 0.268 915 R C -0.822 175.312 176.300 -0.278 0.000 1.044 915 R CA 0.248 56.200 56.100 -0.248 0.000 1.105 915 R CB 0.689 30.886 30.300 -0.171 0.000 0.989 915 R HN 0.691 nan 8.270 nan 0.000 0.447 916 M N 1.616 120.981 119.600 -0.391 0.000 2.523 916 M HA 0.090 4.570 4.480 0.000 0.000 0.287 916 M C -1.255 174.912 176.300 -0.223 0.000 1.160 916 M CA -0.767 54.344 55.300 -0.316 0.000 0.902 916 M CB 2.381 34.750 32.600 -0.385 0.000 1.752 916 M HN 0.539 nan 8.290 nan 0.000 0.504 917 N N 1.489 120.149 118.700 -0.067 0.000 2.918 917 N HA 0.281 5.021 4.740 0.000 0.000 0.270 917 N C -1.351 174.204 175.510 0.075 0.000 1.536 917 N CA -0.716 52.346 53.050 0.021 0.000 0.877 917 N CB 0.445 38.931 38.487 -0.001 0.000 1.190 917 N HN 0.436 nan 8.380 nan 0.000 0.492 918 K N 0.452 120.953 120.400 0.169 0.000 2.448 918 K HA 0.100 4.420 4.320 0.000 0.000 0.278 918 K C -0.211 176.441 176.600 0.088 0.000 1.009 918 K CA 0.298 56.671 56.287 0.143 0.000 0.995 918 K CB 0.405 33.028 32.500 0.204 0.000 0.917 918 K HN 0.333 nan 8.250 nan 0.000 0.481 919 T N 2.685 117.272 114.554 0.055 0.000 2.761 919 T HA 0.053 4.403 4.350 0.000 0.000 0.296 919 T C 1.684 176.400 174.700 0.026 0.000 0.934 919 T CA -0.623 61.499 62.100 0.037 0.000 1.091 919 T CB 1.087 69.970 68.868 0.025 0.000 0.896 919 T HN 0.265 nan 8.240 nan 0.000 0.515 920 V N 2.486 122.415 119.914 0.025 0.000 2.221 920 V HA 0.209 4.329 4.120 0.000 0.000 0.242 920 V C 1.138 177.227 176.094 -0.008 0.000 1.041 920 V CA 1.711 64.017 62.300 0.009 0.000 0.995 920 V CB -0.621 31.216 31.823 0.023 0.000 0.635 920 V HN 1.053 nan 8.190 nan 0.000 0.448 921 A N -0.921 121.896 122.820 -0.005 0.000 2.608 921 A HA 0.663 4.983 4.320 0.000 0.000 0.292 921 A C -1.321 176.259 177.584 -0.006 0.000 1.066 921 A CA 0.053 52.080 52.037 -0.017 0.000 0.676 921 A CB 1.942 20.915 19.000 -0.044 0.000 1.277 921 A HN 0.913 nan 8.150 nan 0.000 0.413 922 V N -0.602 119.307 119.914 -0.007 0.000 2.439 922 V HA 0.792 4.912 4.120 0.000 0.000 0.277 922 V C -0.544 175.547 176.094 -0.005 0.000 1.008 922 V CA -0.625 61.674 62.300 -0.002 0.000 0.846 922 V CB 0.477 32.301 31.823 0.002 0.000 1.031 922 V HN 0.921 nan 8.190 nan 0.000 0.441 923 R N 1.680 122.176 120.500 -0.006 0.000 2.912 923 R HA 0.817 5.157 4.340 0.000 0.000 0.262 923 R C -0.590 175.710 176.300 -0.000 0.000 1.057 923 R CA -0.796 55.301 56.100 -0.006 0.000 0.981 923 R CB 2.381 32.673 30.300 -0.014 0.000 1.201 923 R HN 0.657 nan 8.270 nan 0.000 0.484 924 T N 1.934 116.488 114.554 0.001 0.000 2.837 924 T HA 0.392 4.742 4.350 0.000 0.000 0.285 924 T C -0.234 174.469 174.700 0.005 0.000 0.984 924 T CA -0.528 61.574 62.100 0.004 0.000 1.049 924 T CB 0.625 69.496 68.868 0.006 0.000 0.947 924 T HN 0.162 nan 8.240 nan 0.000 0.472 925 L N 3.694 124.922 121.223 0.008 0.000 2.277 925 L HA 0.502 4.842 4.340 0.000 0.000 0.284 925 L C -0.351 176.525 176.870 0.010 0.000 1.028 925 L CA -0.461 54.385 54.840 0.009 0.000 0.835 925 L CB 0.839 42.905 42.059 0.013 0.000 1.215 925 L HN 0.615 nan 8.230 nan 0.000 0.425 926 D N 4.902 125.308 120.400 0.010 0.000 2.351 926 D HA 0.221 4.861 4.640 0.000 0.000 0.235 926 D C -2.197 174.109 176.300 0.011 0.000 1.331 926 D CA -1.332 52.675 54.000 0.011 0.000 0.959 926 D CB 2.050 42.859 40.800 0.014 0.000 1.432 926 D HN 0.034 nan 8.370 nan 0.000 0.544 927 P HA -0.131 nan 4.420 nan 0.000 0.216 927 P C 1.134 178.441 177.300 0.011 0.000 1.150 927 P CA 0.904 64.010 63.100 0.010 0.000 0.837 927 P CB 0.443 32.148 31.700 0.009 0.000 0.786 928 E N -0.735 119.473 120.200 0.013 0.000 2.267 928 E HA -0.223 4.127 4.350 0.000 0.000 0.197 928 E C 1.996 178.606 176.600 0.016 0.000 0.998 928 E CA 1.317 57.726 56.400 0.015 0.000 0.830 928 E CB -0.151 29.559 29.700 0.018 0.000 0.751 928 E HN -0.045 nan 8.360 nan 0.000 0.491 929 R N -0.880 119.629 120.500 0.015 0.000 2.306 929 R HA 0.343 4.683 4.340 0.000 0.000 0.183 929 R C -0.232 176.075 176.300 0.012 0.000 0.937 929 R CA 0.429 56.538 56.100 0.015 0.000 1.118 929 R CB 0.149 30.459 30.300 0.017 0.000 1.224 929 R HN 0.117 nan 8.270 nan 0.000 0.597 930 L N 1.021 122.250 121.223 0.010 0.000 2.275 930 L HA 0.478 4.818 4.340 0.000 0.000 0.288 930 L C 0.697 177.571 176.870 0.007 0.000 1.046 930 L CA 0.093 54.938 54.840 0.008 0.000 0.805 930 L CB 1.846 43.909 42.059 0.006 0.000 1.193 930 L HN 0.688 nan 8.230 nan 0.000 0.426 931 G N 2.031 110.834 108.800 0.005 0.000 2.176 931 G HA2 -0.321 3.639 3.960 0.000 0.000 0.253 931 G HA3 -0.321 3.639 3.960 0.000 0.000 0.253 931 G C 0.891 175.794 174.900 0.006 0.000 0.979 931 G CA 0.647 45.750 45.100 0.004 0.000 0.641 931 G HN 0.822 nan 8.290 nan 0.000 0.530 932 R N -0.290 120.214 120.500 0.008 0.000 3.844 932 R HA -0.428 3.912 4.340 0.000 0.000 0.414 932 R C 1.548 177.853 176.300 0.009 0.000 0.248 932 R CA 3.563 59.668 56.100 0.009 0.000 1.320 932 R CB -1.674 28.631 30.300 0.008 0.000 0.937 932 R HN 1.058 nan 8.270 nan 0.000 0.585 933 E N -1.277 118.928 120.200 0.008 0.000 3.729 933 E HA -0.370 3.980 4.350 0.000 0.000 0.365 933 E C 0.958 177.563 176.600 0.009 0.000 1.394 933 E CA 3.283 59.688 56.400 0.008 0.000 1.734 933 E CB -1.392 28.312 29.700 0.007 0.000 1.570 933 E HN 0.926 nan 8.360 nan 0.000 0.306 934 G N -1.726 107.079 108.800 0.009 0.000 4.226 934 G HA2 0.065 4.025 3.960 0.000 0.000 0.220 934 G HA3 0.065 4.025 3.960 0.000 0.000 0.220 934 G C -0.263 174.643 174.900 0.009 0.000 0.817 934 G CA 0.384 45.490 45.100 0.010 0.000 0.879 934 G HN 1.046 nan 8.290 nan 0.000 0.669 935 V N -0.701 119.219 119.914 0.009 0.000 2.462 935 V HA 0.596 4.716 4.120 0.000 0.000 0.257 935 V C -0.007 176.093 176.094 0.009 0.000 0.944 935 V CA -0.619 61.687 62.300 0.010 0.000 0.903 935 V CB 0.591 32.420 31.823 0.010 0.000 1.128 935 V HN 0.369 nan 8.190 nan 0.000 0.486 936 Q N 3.177 122.983 119.800 0.009 0.000 2.269 936 Q HA 0.163 4.503 4.340 0.000 0.000 0.300 936 Q C -0.036 175.969 176.000 0.008 0.000 1.070 936 Q CA 0.469 56.277 55.803 0.008 0.000 0.957 936 Q CB 0.681 29.424 28.738 0.007 0.000 1.131 936 Q HN 0.883 nan 8.270 nan 0.000 0.377 937 K N 2.240 122.643 120.400 0.005 0.000 2.166 937 K HA 0.656 4.976 4.320 0.000 0.000 0.245 937 K C -1.245 175.351 176.600 -0.007 0.000 0.967 937 K CA -0.873 55.416 56.287 0.003 0.000 0.863 937 K CB 1.694 34.195 32.500 0.002 0.000 1.107 937 K HN 0.392 nan 8.250 nan 0.000 0.436 938 E N 0.790 120.982 120.200 -0.014 0.000 2.334 938 E HA 0.253 4.603 4.350 0.000 0.000 0.280 938 E C -1.654 174.902 176.600 -0.073 0.000 0.899 938 E CA -0.413 55.964 56.400 -0.038 0.000 0.813 938 E CB 0.846 30.525 29.700 -0.034 0.000 1.318 938 E HN 0.594 nan 8.360 nan 0.000 0.399 939 D N 3.997 124.349 120.400 -0.080 0.000 2.351 939 D HA 0.262 4.902 4.640 0.000 0.000 0.251 939 D C 0.080 176.274 176.300 -0.177 0.000 1.137 939 D CA 0.250 54.184 54.000 -0.110 0.000 0.879 939 D CB 0.783 41.538 40.800 -0.075 0.000 1.181 939 D HN 0.399 nan 8.370 nan 0.000 0.448 940 I N 3.806 124.204 120.570 -0.288 0.000 2.420 940 I HA 0.195 4.365 4.170 0.000 0.000 0.282 940 I C -2.340 173.590 176.117 -0.310 0.000 1.019 940 I CA -2.104 58.954 61.300 -0.403 0.000 1.130 940 I CB 1.862 39.338 38.000 -0.873 0.000 1.262 940 I HN -0.063 nan 8.210 nan 0.000 0.454 941 P HA 0.172 nan 4.420 nan 0.000 0.271 941 P C -2.328 174.916 177.300 -0.093 0.000 1.216 941 P CA -0.839 62.195 63.100 -0.111 0.000 0.776 941 P CB -0.094 31.559 31.700 -0.078 0.000 0.881 942 P HA 0.151 nan 4.420 nan 0.000 0.274 942 P C -0.857 176.428 177.300 -0.026 0.000 1.256 942 P CA -0.426 62.669 63.100 -0.009 0.000 0.795 942 P CB 0.490 32.194 31.700 0.008 0.000 1.038 943 A N 1.417 124.220 122.820 -0.027 0.000 2.404 943 A HA 0.142 4.462 4.320 0.000 0.000 0.273 943 A C 1.357 178.889 177.584 -0.087 0.000 1.144 943 A CA -0.338 51.659 52.037 -0.066 0.000 0.806 943 A CB -0.412 18.529 19.000 -0.098 0.000 1.080 943 A HN 0.656 nan 8.150 nan 0.000 0.509 944 D N 3.656 124.009 120.400 -0.079 0.000 2.117 944 D HA -0.185 4.455 4.640 0.000 0.000 0.198 944 D C 0.806 177.045 176.300 -0.102 0.000 0.982 944 D CA 0.933 54.890 54.000 -0.070 0.000 0.828 944 D CB -0.890 39.882 40.800 -0.047 0.000 0.967 944 D HN 0.872 nan 8.370 nan 0.000 0.464 945 L N 1.147 122.274 121.223 -0.159 0.000 4.105 945 L HA -0.222 4.118 4.340 0.000 0.000 0.484 945 L C 1.189 177.997 176.870 -0.103 0.000 1.129 945 L CA 0.633 55.337 54.840 -0.226 0.000 0.657 945 L CB -3.319 38.434 42.059 -0.509 0.000 1.409 945 L HN 0.121 nan 8.230 nan 0.000 0.770 946 S N -1.170 114.504 115.700 -0.044 0.000 2.500 946 S HA -0.105 4.365 4.470 0.000 0.000 0.239 946 S C 0.991 175.599 174.600 0.013 0.000 0.989 946 S CA 0.661 58.853 58.200 -0.014 0.000 0.951 946 S CB -0.333 62.864 63.200 -0.004 0.000 0.759 946 S HN 0.829 nan 8.310 nan 0.000 0.523 947 D N 0.296 120.719 120.400 0.038 0.000 2.772 947 D HA 0.131 4.771 4.640 0.000 0.000 0.272 947 D C -0.028 176.352 176.300 0.134 0.000 1.314 947 D CA -0.408 53.639 54.000 0.080 0.000 0.835 947 D CB -0.572 40.285 40.800 0.095 0.000 1.080 947 D HN 0.512 nan 8.370 nan 0.000 0.482 948 Q N 0.988 120.847 119.800 0.098 0.000 2.294 948 Q HA 0.275 4.615 4.340 0.000 0.000 0.257 948 Q C -0.480 175.588 176.000 0.114 0.000 0.955 948 Q CA -0.638 55.256 55.803 0.151 0.000 0.936 948 Q CB 1.368 30.138 28.738 0.054 0.000 1.188 948 Q HN -0.005 nan 8.270 nan 0.000 0.420 949 V N 7.828 127.823 119.914 0.136 0.000 2.509 949 V HA 0.034 4.154 4.120 0.000 0.000 0.297 949 V C -1.951 174.178 176.094 0.058 0.000 1.014 949 V CA -0.870 61.479 62.300 0.080 0.000 1.127 949 V CB 0.122 31.986 31.823 0.068 0.000 0.925 949 V HN 0.827 nan 8.190 nan 0.000 0.480 950 P HA 0.047 nan 4.420 nan 0.000 0.266 950 P C 0.357 177.664 177.300 0.011 0.000 1.193 950 P CA 0.458 63.569 63.100 0.019 0.000 0.770 950 P CB 0.201 31.906 31.700 0.008 0.000 0.836 951 D N -0.356 120.049 120.400 0.008 0.000 2.947 951 D HA -0.124 4.516 4.640 0.000 0.000 0.224 951 D C -0.789 175.513 176.300 0.002 0.000 1.132 951 D CA 1.515 55.514 54.000 -0.001 0.000 0.801 951 D CB -1.579 39.212 40.800 -0.015 0.000 1.097 951 D HN 0.496 nan 8.370 nan 0.000 0.431 952 T N -1.970 112.602 114.554 0.029 0.000 2.893 952 T HA 0.704 5.054 4.350 0.000 0.000 0.291 952 T C -0.066 174.690 174.700 0.093 0.000 1.028 952 T CA -0.953 61.180 62.100 0.055 0.000 0.995 952 T CB 2.130 71.051 68.868 0.089 0.000 1.051 952 T HN 0.114 nan 8.240 nan 0.000 0.470 953 E N 1.287 121.556 120.200 0.115 0.000 2.283 953 E HA 0.639 4.989 4.350 0.000 0.000 0.271 953 E C -0.530 176.159 176.600 0.148 0.000 1.031 953 E CA -0.900 55.564 56.400 0.107 0.000 0.868 953 E CB 0.956 30.705 29.700 0.082 0.000 1.094 953 E HN 0.828 nan 8.360 nan 0.000 0.401 954 S N 0.190 115.952 115.700 0.104 0.000 2.603 954 S HA 0.435 4.905 4.470 0.000 0.000 0.274 954 S C -0.957 173.683 174.600 0.065 0.000 1.168 954 S CA -1.174 57.092 58.200 0.110 0.000 0.963 954 S CB 0.736 64.005 63.200 0.115 0.000 1.078 954 S HN 0.656 nan 8.310 nan 0.000 0.477 955 E N 1.360 121.596 120.200 0.061 0.000 2.202 955 E HA 0.662 5.012 4.350 0.000 0.000 0.272 955 E C -1.078 175.544 176.600 0.037 0.000 0.951 955 E CA -0.849 55.573 56.400 0.036 0.000 0.813 955 E CB 1.487 31.203 29.700 0.026 0.000 1.151 955 E HN 0.443 nan 8.360 nan 0.000 0.398 956 T N 2.413 116.980 114.554 0.022 0.000 2.779 956 T HA 0.342 4.692 4.350 0.000 0.000 0.280 956 T C -0.555 174.151 174.700 0.010 0.000 0.987 956 T CA -0.693 61.426 62.100 0.032 0.000 0.966 956 T CB 0.906 69.805 68.868 0.052 0.000 0.933 956 T HN 0.415 nan 8.240 nan 0.000 0.442 957 R N 3.592 124.106 120.500 0.023 0.000 2.387 957 R HA 0.579 4.919 4.340 0.000 0.000 0.314 957 R C -0.889 175.423 176.300 0.021 0.000 0.958 957 R CA -0.638 55.465 56.100 0.005 0.000 0.846 957 R CB 0.600 30.902 30.300 0.004 0.000 1.147 957 R HN 0.601 nan 8.270 nan 0.000 0.447 958 I N 5.670 126.237 120.570 -0.005 0.000 2.353 958 I HA 0.299 4.469 4.170 0.000 0.000 0.293 958 I C -0.412 175.701 176.117 -0.007 0.000 0.992 958 I CA -0.771 60.542 61.300 0.023 0.000 1.268 958 I CB 1.647 39.646 38.000 -0.003 0.000 1.387 958 I HN 0.473 nan 8.210 nan 0.000 0.478 959 L N 7.471 128.700 121.223 0.010 0.000 2.349 959 L HA 0.556 4.896 4.340 0.000 0.000 0.278 959 L C -1.323 175.540 176.870 -0.011 0.000 0.996 959 L CA -0.521 54.311 54.840 -0.013 0.000 0.825 959 L CB 1.408 43.463 42.059 -0.007 0.000 1.243 959 L HN 0.546 nan 8.230 nan 0.000 0.412 960 L N 5.041 126.244 121.223 -0.034 0.000 2.296 960 L HA 0.533 4.873 4.340 0.000 0.000 0.286 960 L C -0.560 176.292 176.870 -0.030 0.000 1.023 960 L CA -0.082 54.742 54.840 -0.027 0.000 0.812 960 L CB 1.746 43.782 42.059 -0.038 0.000 1.223 960 L HN 0.613 nan 8.230 nan 0.000 0.421 961 Q N 2.171 121.959 119.800 -0.019 0.000 2.305 961 Q HA 0.563 4.903 4.340 0.000 0.000 0.271 961 Q C -0.501 175.488 176.000 -0.018 0.000 1.046 961 Q CA -0.670 55.119 55.803 -0.023 0.000 0.798 961 Q CB 2.167 30.893 28.738 -0.020 0.000 1.286 961 Q HN 0.691 nan 8.270 nan 0.000 0.435 962 G N 1.613 110.398 108.800 -0.026 0.000 2.370 962 G HA2 0.337 4.297 3.960 0.000 0.000 0.272 962 G HA3 0.337 4.297 3.960 0.000 0.000 0.272 962 G C -0.493 174.395 174.900 -0.020 0.000 1.208 962 G CA -0.228 44.859 45.100 -0.021 0.000 0.856 962 G HN 0.567 nan 8.290 nan 0.000 0.500 963 T N 5.263 119.815 114.554 -0.003 0.000 3.355 963 T HA 0.361 4.711 4.350 0.000 0.000 0.376 963 T C -2.298 172.415 174.700 0.022 0.000 1.683 963 T CA -0.835 61.267 62.100 0.004 0.000 1.269 963 T CB 0.926 69.800 68.868 0.009 0.000 1.158 963 T HN 0.332 nan 8.240 nan 0.000 0.703 964 P HA 0.335 nan 4.420 nan 0.000 0.275 964 P C -0.645 176.707 177.300 0.087 0.000 1.227 964 P CA -0.536 62.605 63.100 0.069 0.000 0.781 964 P CB 0.775 32.477 31.700 0.003 0.000 0.906 965 V N -0.593 119.401 119.914 0.132 0.000 2.385 965 V HA 0.771 4.891 4.120 0.000 0.000 0.277 965 V C 0.136 176.320 176.094 0.150 0.000 1.012 965 V CA -0.874 61.494 62.300 0.114 0.000 0.832 965 V CB 0.544 32.413 31.823 0.077 0.000 1.028 965 V HN 0.635 nan 8.190 nan 0.000 0.436 966 A N 3.440 126.371 122.820 0.185 0.000 2.768 966 A HA 0.825 5.145 4.320 0.000 0.000 0.239 966 A C 0.335 177.985 177.584 0.110 0.000 1.794 966 A CA -0.202 51.949 52.037 0.190 0.000 0.853 966 A CB 0.145 19.319 19.000 0.289 0.000 1.725 966 A HN 1.192 nan 8.150 nan 0.000 0.648 967 Q N -3.371 116.485 119.800 0.093 0.000 3.108 967 Q HA -0.060 4.280 4.340 0.000 0.000 0.082 967 Q C -1.625 174.400 176.000 0.041 0.000 1.629 967 Q CA 0.584 56.425 55.803 0.063 0.000 0.279 967 Q CB -0.633 28.142 28.738 0.062 0.000 0.574 967 Q HN 1.153 nan 8.270 nan 0.000 0.322 968 M N 0.639 120.260 119.600 0.035 0.000 4.841 968 M HA -0.039 4.441 4.480 0.000 0.000 0.535 968 M C -1.005 175.315 176.300 0.033 0.000 1.871 968 M CA 0.922 56.244 55.300 0.035 0.000 0.607 968 M CB -0.435 32.180 32.600 0.025 0.000 3.312 968 M HN 0.746 nan 8.290 nan 0.000 0.595 969 T N -2.849 111.734 114.554 0.049 0.000 2.906 969 T HA 0.926 5.276 4.350 0.000 0.000 0.295 969 T C 0.221 174.991 174.700 0.117 0.000 1.061 969 T CA -0.622 61.520 62.100 0.070 0.000 1.000 969 T CB 2.738 71.615 68.868 0.015 0.000 1.103 969 T HN 0.172 nan 8.240 nan 0.000 0.486 970 E N 1.275 121.595 120.200 0.200 0.000 3.310 970 E HA 0.502 4.852 4.350 0.000 0.000 0.423 970 E C -0.342 176.348 176.600 0.149 0.000 0.353 970 E CA -0.237 56.262 56.400 0.165 0.000 2.521 970 E CB 0.235 30.031 29.700 0.160 0.000 2.229 970 E HN 0.800 nan 8.360 nan 0.000 0.443 971 D N -1.787 118.706 120.400 0.155 0.000 2.921 971 D HA 0.634 5.274 4.640 0.000 0.000 0.329 971 D C -0.924 175.468 176.300 0.154 0.000 1.293 971 D CA -0.481 53.598 54.000 0.131 0.000 0.964 971 D CB 1.365 42.218 40.800 0.088 0.000 1.435 971 D HN 0.333 nan 8.370 nan 0.000 0.548 972 A N -0.195 122.707 122.820 0.137 0.000 2.475 972 A HA 0.666 4.986 4.320 0.000 0.000 0.281 972 A C -0.669 177.038 177.584 0.206 0.000 1.263 972 A CA -0.485 51.670 52.037 0.196 0.000 0.776 972 A CB 0.535 19.629 19.000 0.156 0.000 1.347 972 A HN 0.225 nan 8.150 nan 0.000 0.443 973 V N 1.451 121.562 119.914 0.329 0.000 2.763 973 V HA 0.007 4.127 4.120 0.000 0.000 0.306 973 V C 1.471 177.699 176.094 0.224 0.000 1.059 973 V CA 0.913 63.376 62.300 0.272 0.000 1.138 973 V CB 0.854 32.871 31.823 0.322 0.000 0.940 973 V HN 1.040 nan 8.190 nan 0.000 0.489 974 D N 3.152 123.669 120.400 0.195 0.000 2.149 974 D HA -0.163 4.477 4.640 0.000 0.000 0.198 974 D C 1.669 178.045 176.300 0.126 0.000 0.990 974 D CA 1.890 55.974 54.000 0.141 0.000 0.839 974 D CB 0.030 40.906 40.800 0.127 0.000 0.948 974 D HN 0.935 nan 8.370 nan 0.000 0.460 975 A N -1.378 121.529 122.820 0.145 0.000 4.219 975 A HA -0.393 3.927 4.320 0.000 0.000 0.252 975 A C 1.932 179.602 177.584 0.144 0.000 0.737 975 A CA 2.934 55.046 52.037 0.126 0.000 1.245 975 A CB -2.335 16.715 19.000 0.084 0.000 1.105 975 A HN 0.519 nan 8.150 nan 0.000 0.713 976 E N -0.115 120.137 120.200 0.087 0.000 2.153 976 E HA -0.124 4.226 4.350 0.000 0.000 0.194 976 E C 1.598 178.190 176.600 -0.013 0.000 0.988 976 E CA 1.528 57.950 56.400 0.037 0.000 0.811 976 E CB -0.682 29.030 29.700 0.021 0.000 0.746 976 E HN 0.900 nan 8.360 nan 0.000 0.466 977 R N -0.866 119.606 120.500 -0.047 0.000 2.791 977 R HA 0.486 4.826 4.340 0.000 0.000 0.357 977 R C -0.028 176.157 176.300 -0.191 0.000 1.173 977 R CA -0.107 55.911 56.100 -0.136 0.000 1.060 977 R CB -0.059 30.117 30.300 -0.206 0.000 1.406 977 R HN 0.269 nan 8.270 nan 0.000 0.580 978 L N 1.441 122.641 121.223 -0.039 0.000 2.511 978 L HA 0.316 4.656 4.340 0.000 0.000 0.252 978 L C -0.849 176.068 176.870 0.079 0.000 1.542 978 L CA -0.197 54.645 54.840 0.003 0.000 0.822 978 L CB 0.592 42.656 42.059 0.008 0.000 1.050 978 L HN 0.084 nan 8.230 nan 0.000 0.516 979 K N 2.045 122.514 120.400 0.115 0.000 2.724 979 K HA 0.309 4.629 4.320 0.000 0.000 0.198 979 K C 0.291 176.974 176.600 0.139 0.000 1.099 979 K CA -0.279 56.083 56.287 0.126 0.000 1.025 979 K CB 0.230 32.710 32.500 -0.034 0.000 1.509 979 K HN 0.507 nan 8.250 nan 0.000 0.564 980 H N -0.923 118.180 119.070 0.055 0.000 3.943 980 H HA 0.102 4.659 4.556 0.000 0.000 0.265 980 H C 1.008 176.353 175.328 0.029 0.000 1.133 980 H CA -0.273 55.794 56.048 0.032 0.000 1.188 980 H CB 0.065 29.832 29.762 0.008 0.000 1.486 980 H HN 0.175 nan 8.280 nan 0.000 0.795 981 L N 1.635 122.618 121.223 -0.399 0.000 2.362 981 L HA 0.019 4.359 4.340 0.000 0.000 0.219 981 L C 0.732 177.561 176.870 -0.068 0.000 1.134 981 L CA 0.514 55.199 54.840 -0.259 0.000 0.807 981 L CB -0.081 41.735 42.059 -0.405 0.000 0.927 981 L HN 0.179 nan 8.230 nan 0.000 0.447 982 I N 1.380 121.949 120.570 -0.002 0.000 2.426 982 I HA 0.033 4.203 4.170 0.000 0.000 0.282 982 I C 0.213 176.372 176.117 0.070 0.000 1.064 982 I CA 0.182 61.518 61.300 0.061 0.000 2.047 982 I CB -1.096 36.980 38.000 0.128 0.000 1.497 982 I HN -0.177 nan 8.210 nan 0.000 0.899 983 V N 2.790 122.742 119.914 0.063 0.000 2.498 983 V HA 0.131 4.251 4.120 0.000 0.000 0.279 983 V C 0.971 177.103 176.094 0.063 0.000 1.048 983 V CA -0.370 61.972 62.300 0.070 0.000 0.967 983 V CB 1.282 33.151 31.823 0.078 0.000 0.988 983 V HN 0.526 nan 8.190 nan 0.000 0.473 984 T N 8.051 122.640 114.554 0.059 0.000 2.751 984 T HA 0.179 4.529 4.350 0.000 0.000 0.290 984 T C -2.274 172.456 174.700 0.050 0.000 0.919 984 T CA -0.535 61.597 62.100 0.053 0.000 1.136 984 T CB 0.364 69.261 68.868 0.049 0.000 0.875 984 T HN 0.493 nan 8.240 nan 0.000 0.532 985 P HA 0.206 nan 4.420 nan 0.000 0.263 985 P C -0.420 176.903 177.300 0.040 0.000 1.195 985 P CA -0.023 63.105 63.100 0.046 0.000 0.762 985 P CB 0.481 32.213 31.700 0.053 0.000 0.799 986 S N 1.371 117.087 115.700 0.026 0.000 2.636 986 S HA 0.861 5.331 4.470 0.000 0.000 0.268 986 S C -0.124 174.476 174.600 -0.000 0.000 1.159 986 S CA -0.116 58.100 58.200 0.027 0.000 0.815 986 S CB 1.518 64.739 63.200 0.036 0.000 1.130 986 S HN 0.845 nan 8.310 nan 0.000 0.471 987 G N -0.279 108.527 108.800 0.010 0.000 2.418 987 G HA2 -0.025 3.935 3.960 0.000 0.000 0.206 987 G HA3 -0.025 3.935 3.960 0.000 0.000 0.206 987 G C 0.412 175.273 174.900 -0.065 0.000 1.202 987 G CA -0.202 44.889 45.100 -0.016 0.000 1.061 987 G HN 1.458 nan 8.290 nan 0.000 0.563 988 C N -0.321 118.851 119.300 -0.214 0.000 2.939 988 C HA 0.600 5.060 4.460 0.000 0.000 0.149 988 C C 2.787 177.035 174.990 -1.237 0.000 2.889 988 C CA 1.553 60.246 59.018 -0.542 0.000 1.771 988 C CB -0.669 26.621 27.740 -0.750 0.000 2.125 988 C HN 1.622 nan 8.230 nan 0.000 0.219 989 G N -0.180 108.002 108.800 -1.031 0.000 2.986 989 G HA2 0.078 4.038 3.960 0.000 0.000 0.213 989 G HA3 0.078 4.038 3.960 0.000 0.000 0.213 989 G C 1.303 175.965 174.900 -0.397 0.000 1.156 989 G CA 0.549 45.087 45.100 -0.937 0.000 0.763 989 G HN 0.871 nan 8.290 nan 0.000 0.547 990 E N 0.353 120.401 120.200 -0.254 0.000 2.122 990 E HA -0.047 4.303 4.350 0.000 0.000 0.190 990 E C 2.005 178.518 176.600 -0.145 0.000 0.977 990 E CA 0.337 56.684 56.400 -0.087 0.000 0.820 990 E CB -0.348 29.376 29.700 0.039 0.000 0.770 990 E HN 0.381 nan 8.360 nan 0.000 0.462 991 Q N 0.682 120.355 119.800 -0.211 0.000 2.170 991 Q HA -0.147 4.193 4.340 0.000 0.000 0.203 991 Q C 1.848 177.765 176.000 -0.138 0.000 0.976 991 Q CA 1.424 57.097 55.803 -0.217 0.000 0.858 991 Q CB -0.197 28.448 28.738 -0.154 0.000 0.907 991 Q HN 0.226 nan 8.270 nan 0.000 0.433 992 N N 0.073 118.681 118.700 -0.153 0.000 2.270 992 N HA -0.089 4.651 4.740 0.000 0.000 0.181 992 N C 1.498 177.004 175.510 -0.007 0.000 1.016 992 N CA 0.974 53.977 53.050 -0.078 0.000 0.870 992 N CB 0.147 38.569 38.487 -0.108 0.000 0.979 992 N HN 0.096 nan 8.380 nan 0.000 0.431 993 M N 0.102 119.705 119.600 0.004 0.000 2.200 993 M HA 0.062 4.542 4.480 0.000 0.000 0.265 993 M C 1.906 178.277 176.300 0.118 0.000 1.066 993 M CA 0.753 56.116 55.300 0.106 0.000 1.127 993 M CB -0.740 31.963 32.600 0.173 0.000 1.379 993 M HN 0.178 nan 8.290 nan 0.000 0.420 994 I N -0.372 120.222 120.570 0.040 0.000 2.454 994 I HA -0.178 3.992 4.170 0.000 0.000 0.254 994 I C 2.307 178.455 176.117 0.052 0.000 1.156 994 I CA 1.291 62.607 61.300 0.027 0.000 1.433 994 I CB -0.805 37.150 38.000 -0.076 0.000 1.082 994 I HN 0.319 nan 8.210 nan 0.000 0.432 995 G N 0.142 108.966 108.800 0.039 0.000 2.683 995 G HA2 0.019 3.979 3.960 0.000 0.000 0.213 995 G HA3 0.019 3.979 3.960 0.000 0.000 0.213 995 G C 1.648 176.592 174.900 0.073 0.000 1.142 995 G CA 0.784 45.916 45.100 0.052 0.000 0.793 995 G HN 0.336 nan 8.290 nan 0.000 0.534 996 M N -0.231 119.420 119.600 0.086 0.000 2.510 996 M HA 0.263 4.743 4.480 0.000 0.000 0.256 996 M C 2.479 178.856 176.300 0.128 0.000 1.132 996 M CA 1.761 57.118 55.300 0.095 0.000 1.105 996 M CB -1.261 31.394 32.600 0.092 0.000 1.375 996 M HN 0.085 nan 8.290 nan 0.000 0.477 997 T N 1.861 116.514 114.554 0.166 0.000 2.674 997 T HA -0.089 4.261 4.350 0.000 0.000 0.265 997 T C -0.230 174.623 174.700 0.255 0.000 1.039 997 T CA 2.070 64.318 62.100 0.247 0.000 1.150 997 T CB -1.037 68.013 68.868 0.303 0.000 0.864 997 T HN 0.621 nan 8.240 nan 0.000 0.427 998 P HA -0.065 nan 4.420 nan 0.000 0.216 998 P C 1.391 178.702 177.300 0.018 0.000 1.150 998 P CA 1.359 64.512 63.100 0.088 0.000 0.837 998 P CB -0.310 31.430 31.700 0.067 0.000 0.786 999 T N 0.074 114.659 114.554 0.051 0.000 2.812 999 T HA -0.047 4.303 4.350 0.000 0.000 0.264 999 T C 2.055 176.784 174.700 0.048 0.000 1.042 999 T CA 1.093 63.214 62.100 0.034 0.000 1.140 999 T CB -0.937 67.964 68.868 0.056 0.000 0.870 999 T HN -0.116 nan 8.240 nan 0.000 0.445 1000 V N 1.295 121.266 119.914 0.095 0.000 2.295 1000 V HA -0.090 4.030 4.120 0.000 0.000 0.246 1000 V C 2.324 178.484 176.094 0.111 0.000 1.049 1000 V CA 1.225 63.594 62.300 0.114 0.000 1.024 1000 V CB -0.488 31.431 31.823 0.161 0.000 0.648 1000 V HN 0.356 nan 8.190 nan 0.000 0.447 1001 I N 0.282 120.919 120.570 0.112 0.000 2.830 1001 I HA -0.006 4.164 4.170 0.000 0.000 0.263 1001 I C 2.198 178.267 176.117 -0.081 0.000 1.230 1001 I CA 1.153 62.446 61.300 -0.011 0.000 1.480 1001 I CB -0.462 37.509 38.000 -0.049 0.000 1.095 1001 I HN 0.161 nan 8.210 nan 0.000 0.455 1002 A N -0.557 122.176 122.820 -0.146 0.000 1.872 1002 A HA -0.075 4.245 4.320 0.000 0.000 0.214 1002 A C 2.300 179.766 177.584 -0.198 0.000 1.187 1002 A CA 1.731 53.586 52.037 -0.302 0.000 0.614 1002 A CB -0.963 17.844 19.000 -0.321 0.000 0.826 1002 A HN 0.228 nan 8.150 nan 0.000 0.442 1003 V N -0.302 119.602 119.914 -0.016 0.000 2.427 1003 V HA -0.245 3.875 4.120 0.000 0.000 0.248 1003 V C 2.451 178.629 176.094 0.140 0.000 1.051 1003 V CA 2.358 64.751 62.300 0.155 0.000 1.048 1003 V CB -1.062 30.897 31.823 0.225 0.000 0.666 1003 V HN 0.853 nan 8.190 nan 0.000 0.456 1004 H N -1.140 117.945 119.070 0.025 0.000 2.456 1004 H HA -0.219 4.337 4.556 0.000 0.000 0.296 1004 H C 2.023 177.362 175.328 0.019 0.000 1.079 1004 H CA 2.009 58.068 56.048 0.020 0.000 1.322 1004 H CB -0.124 29.632 29.762 -0.010 0.000 1.388 1004 H HN 0.525 nan 8.280 nan 0.000 0.538 1005 Y N -0.008 120.213 120.300 -0.132 0.000 2.314 1005 Y HA 0.034 4.584 4.550 0.000 0.000 0.294 1005 Y C 1.912 177.661 175.900 -0.252 0.000 1.119 1005 Y CA 0.987 58.984 58.100 -0.170 0.000 1.179 1005 Y CB 0.022 38.412 38.460 -0.117 0.000 1.025 1005 Y HN 0.182 nan 8.280 nan 0.000 0.541 1006 L N -0.215 120.830 121.223 -0.297 0.000 2.291 1006 L HA -0.143 4.197 4.340 0.000 0.000 0.214 1006 L C 1.563 178.247 176.870 -0.310 0.000 1.120 1006 L CA 0.961 55.437 54.840 -0.607 0.000 0.799 1006 L CB -0.372 40.810 42.059 -1.461 0.000 0.925 1006 L HN 0.169 nan 8.230 nan 0.000 0.446 1007 D N -0.138 120.239 120.400 -0.039 0.000 2.149 1007 D HA -0.123 4.517 4.640 0.000 0.000 0.201 1007 D C 2.075 178.323 176.300 -0.086 0.000 0.972 1007 D CA 0.926 54.976 54.000 0.083 0.000 0.835 1007 D CB 0.093 40.933 40.800 0.067 0.000 0.966 1007 D HN 0.211 nan 8.370 nan 0.000 0.476 1008 E N -0.219 119.838 120.200 -0.239 0.000 2.435 1008 E HA -0.017 4.333 4.350 0.000 0.000 0.195 1008 E C 1.580 178.027 176.600 -0.256 0.000 1.029 1008 E CA 0.649 56.897 56.400 -0.254 0.000 0.865 1008 E CB 0.112 29.615 29.700 -0.329 0.000 0.833 1008 E HN 0.392 nan 8.360 nan 0.000 0.510 1009 T N -0.972 113.390 114.554 -0.318 0.000 3.044 1009 T HA -0.009 4.341 4.350 0.000 0.000 0.260 1009 T C 0.622 175.227 174.700 -0.159 0.000 1.019 1009 T CA 0.049 61.979 62.100 -0.284 0.000 0.921 1009 T CB 0.057 68.657 68.868 -0.447 0.000 1.053 1009 T HN 0.093 nan 8.240 nan 0.000 0.533 1010 E N 1.618 121.759 120.200 -0.097 0.000 2.257 1010 E HA -0.343 4.007 4.350 0.000 0.000 0.224 1010 E C -0.099 176.506 176.600 0.008 0.000 1.286 1010 E CA 0.898 57.309 56.400 0.018 0.000 0.716 1010 E CB -2.400 27.317 29.700 0.027 0.000 1.159 1010 E HN 0.788 nan 8.360 nan 0.000 0.367 1011 Q N -1.271 118.465 119.800 -0.107 0.000 2.246 1011 Q HA 0.105 4.445 4.340 0.000 0.000 0.202 1011 Q C 0.876 176.854 176.000 -0.038 0.000 0.883 1011 Q CA 0.121 55.876 55.803 -0.079 0.000 0.952 1011 Q CB -0.135 28.532 28.738 -0.120 0.000 1.078 1011 Q HN 0.499 nan 8.270 nan 0.000 0.493 1012 W N 1.584 122.901 121.300 0.029 0.000 2.374 1012 W HA -0.143 4.517 4.660 0.000 0.000 0.288 1012 W C 1.727 178.319 176.519 0.122 0.000 1.218 1012 W CA 0.820 58.218 57.345 0.087 0.000 1.245 1012 W CB 0.216 29.698 29.460 0.036 0.000 1.126 1012 W HN 0.281 nan 8.180 nan 0.000 0.545 1013 E N 0.252 120.620 120.200 0.280 0.000 2.118 1013 E HA -0.212 4.138 4.350 0.000 0.000 0.195 1013 E C 1.864 178.553 176.600 0.149 0.000 0.992 1013 E CA 1.069 57.578 56.400 0.181 0.000 0.804 1013 E CB -0.185 29.586 29.700 0.118 0.000 0.741 1013 E HN 0.158 nan 8.360 nan 0.000 0.458 1014 K N -0.306 120.179 120.400 0.141 0.000 2.379 1014 K HA 0.027 4.347 4.320 0.000 0.000 0.194 1014 K C 1.485 178.163 176.600 0.130 0.000 1.031 1014 K CA 0.303 56.653 56.287 0.106 0.000 1.037 1014 K CB 0.046 32.594 32.500 0.080 0.000 0.824 1014 K HN 0.134 nan 8.250 nan 0.000 0.516 1015 F N 1.010 120.976 119.950 0.028 0.000 2.298 1015 F HA 0.293 4.820 4.527 0.000 0.000 0.282 1015 F C 0.366 176.219 175.800 0.089 0.000 1.045 1015 F CA 0.997 59.002 58.000 0.009 0.000 1.280 1015 F CB 0.790 39.723 39.000 -0.112 0.000 1.114 1015 F HN 0.042 nan 8.300 nan 0.000 0.546 1016 G N 0.646 109.659 108.800 0.355 0.000 1.956 1016 G HA2 0.117 4.077 3.960 0.000 0.000 0.189 1016 G HA3 0.117 4.077 3.960 0.000 0.000 0.189 1016 G C -0.111 175.038 174.900 0.415 0.000 1.568 1016 G CA -0.277 44.964 45.100 0.234 0.000 1.002 1016 G HN 0.296 nan 8.290 nan 0.000 0.653 1017 L N 1.037 122.400 121.223 0.233 0.000 2.027 1017 L HA -0.012 4.328 4.340 0.000 0.000 0.206 1017 L C 2.562 179.441 176.870 0.015 0.000 1.074 1017 L CA 1.823 56.735 54.840 0.120 0.000 0.745 1017 L CB -0.226 41.871 42.059 0.062 0.000 0.898 1017 L HN 0.689 nan 8.230 nan 0.000 0.433 1018 E N 0.235 120.455 120.200 0.033 0.000 2.512 1018 E HA -0.101 4.249 4.350 0.000 0.000 0.195 1018 E C 1.326 177.944 176.600 0.030 0.000 1.083 1018 E CA 0.540 56.942 56.400 0.004 0.000 0.873 1018 E CB -0.306 29.397 29.700 0.005 0.000 0.897 1018 E HN 0.393 nan 8.360 nan 0.000 0.514 1019 K N 0.173 120.636 120.400 0.105 0.000 2.352 1019 K HA 0.178 4.498 4.320 0.000 0.000 0.194 1019 K C 1.922 178.637 176.600 0.191 0.000 1.038 1019 K CA -0.013 56.390 56.287 0.193 0.000 1.023 1019 K CB 0.217 32.915 32.500 0.329 0.000 0.840 1019 K HN 0.020 nan 8.250 nan 0.000 0.519 1020 R N 1.464 121.932 120.500 -0.052 0.000 2.075 1020 R HA -0.169 4.171 4.340 0.000 0.000 0.232 1020 R C 2.242 178.429 176.300 -0.188 0.000 1.126 1020 R CA 1.480 57.337 56.100 -0.404 0.000 0.963 1020 R CB 0.089 29.654 30.300 -1.224 0.000 0.858 1020 R HN -0.002 nan 8.270 nan 0.000 0.435 1021 Q N -0.085 119.628 119.800 -0.145 0.000 2.181 1021 Q HA -0.075 4.265 4.340 0.000 0.000 0.205 1021 Q C 1.662 177.645 176.000 -0.030 0.000 0.980 1021 Q CA 2.044 57.794 55.803 -0.088 0.000 0.862 1021 Q CB -0.538 28.156 28.738 -0.073 0.000 0.905 1021 Q HN 0.475 nan 8.270 nan 0.000 0.429 1022 G N -0.961 107.844 108.800 0.008 0.000 2.572 1022 G HA2 0.034 3.994 3.960 0.000 0.000 0.216 1022 G HA3 0.034 3.994 3.960 0.000 0.000 0.216 1022 G C 1.255 176.190 174.900 0.059 0.000 1.133 1022 G CA 0.571 45.694 45.100 0.038 0.000 0.791 1022 G HN 0.467 nan 8.290 nan 0.000 0.538 1023 A N 0.436 123.299 122.820 0.073 0.000 1.911 1023 A HA 0.319 4.639 4.320 0.000 0.000 0.212 1023 A C 2.193 179.808 177.584 0.051 0.000 1.189 1023 A CA 0.399 52.494 52.037 0.097 0.000 0.639 1023 A CB -0.210 18.902 19.000 0.187 0.000 0.839 1023 A HN 0.228 nan 8.150 nan 0.000 0.449 1024 L N 0.415 121.644 121.223 0.011 0.000 2.131 1024 L HA -0.155 4.185 4.340 0.000 0.000 0.210 1024 L C 2.219 179.085 176.870 -0.008 0.000 1.092 1024 L CA 1.814 56.646 54.840 -0.013 0.000 0.759 1024 L CB -1.353 40.676 42.059 -0.050 0.000 0.903 1024 L HN 0.550 nan 8.230 nan 0.000 0.435 1025 E N -0.387 119.815 120.200 0.002 0.000 2.152 1025 E HA -0.149 4.201 4.350 0.000 0.000 0.192 1025 E C 2.334 178.949 176.600 0.024 0.000 0.983 1025 E CA 0.594 56.999 56.400 0.009 0.000 0.818 1025 E CB 0.041 29.747 29.700 0.011 0.000 0.758 1025 E HN 0.447 nan 8.360 nan 0.000 0.467 1026 L N 0.596 121.839 121.223 0.033 0.000 2.240 1026 L HA -0.069 4.271 4.340 0.000 0.000 0.211 1026 L C 2.306 179.201 176.870 0.042 0.000 1.106 1026 L CA 0.592 55.458 54.840 0.043 0.000 0.793 1026 L CB -0.205 41.886 42.059 0.053 0.000 0.927 1026 L HN 0.155 nan 8.230 nan 0.000 0.446 1027 I N 0.032 120.620 120.570 0.031 0.000 2.286 1027 I HA -0.268 3.902 4.170 0.000 0.000 0.245 1027 I C 2.646 178.769 176.117 0.009 0.000 1.104 1027 I CA 1.225 62.535 61.300 0.017 0.000 1.397 1027 I CB -0.248 37.752 38.000 -0.001 0.000 1.072 1027 I HN 0.221 nan 8.210 nan 0.000 0.417 1028 K N 1.557 121.959 120.400 0.003 0.000 2.148 1028 K HA -0.212 4.108 4.320 0.000 0.000 0.204 1028 K C 2.182 178.836 176.600 0.091 0.000 1.050 1028 K CA 1.333 57.633 56.287 0.021 0.000 0.942 1028 K CB 0.055 32.550 32.500 -0.007 0.000 0.724 1028 K HN 0.104 nan 8.250 nan 0.000 0.446 1029 K N -0.424 120.015 120.400 0.065 0.000 2.155 1029 K HA -0.054 4.266 4.320 0.000 0.000 0.203 1029 K C 1.885 178.532 176.600 0.078 0.000 1.052 1029 K CA 1.241 57.569 56.287 0.069 0.000 0.948 1029 K CB -0.083 32.448 32.500 0.052 0.000 0.728 1029 K HN 0.297 nan 8.250 nan 0.000 0.448 1030 G N -0.317 108.530 108.800 0.077 0.000 2.448 1030 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 1030 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 1030 G C 1.277 176.237 174.900 0.100 0.000 1.135 1030 G CA 0.451 45.599 45.100 0.080 0.000 0.784 1030 G HN 0.413 nan 8.290 nan 0.000 0.543 1031 Y N 1.792 122.063 120.300 -0.047 0.000 2.220 1031 Y HA -0.053 4.497 4.550 0.000 0.000 0.291 1031 Y C 2.877 178.799 175.900 0.037 0.000 1.129 1031 Y CA 2.047 60.095 58.100 -0.086 0.000 1.161 1031 Y CB -0.217 38.102 38.460 -0.235 0.000 0.997 1031 Y HN 0.150 nan 8.280 nan 0.000 0.522 1032 T N 0.617 115.188 114.554 0.028 0.000 2.777 1032 T HA -0.188 4.162 4.350 0.000 0.000 0.266 1032 T C 1.634 176.313 174.700 -0.036 0.000 1.040 1032 T CA 1.782 63.858 62.100 -0.039 0.000 1.141 1032 T CB -0.217 68.689 68.868 0.064 0.000 0.868 1032 T HN 0.467 nan 8.240 nan 0.000 0.444 1033 Q N 0.355 120.176 119.800 0.036 0.000 2.291 1033 Q HA -0.066 4.274 4.340 0.000 0.000 0.205 1033 Q C 2.268 178.381 176.000 0.189 0.000 0.970 1033 Q CA 0.800 56.666 55.803 0.104 0.000 0.876 1033 Q CB -0.100 28.709 28.738 0.119 0.000 0.935 1033 Q HN 0.348 nan 8.270 nan 0.000 0.455 1034 Q N 0.637 120.502 119.800 0.108 0.000 2.389 1034 Q HA 0.006 4.346 4.340 0.000 0.000 0.204 1034 Q C 1.518 177.578 176.000 0.100 0.000 0.944 1034 Q CA 0.729 56.623 55.803 0.153 0.000 0.908 1034 Q CB 0.174 29.025 28.738 0.189 0.000 1.002 1034 Q HN 0.377 nan 8.270 nan 0.000 0.493 1035 L N -0.627 120.571 121.223 -0.042 0.000 2.313 1035 L HA 0.092 4.432 4.340 0.000 0.000 0.214 1035 L C 1.812 178.639 176.870 -0.073 0.000 1.119 1035 L CA 0.686 55.468 54.840 -0.096 0.000 0.809 1035 L CB -0.403 41.546 42.059 -0.183 0.000 0.933 1035 L HN 0.177 nan 8.230 nan 0.000 0.449 1036 A N -0.954 121.818 122.820 -0.080 0.000 2.235 1036 A HA 0.044 4.364 4.320 0.000 0.000 0.208 1036 A C 1.046 178.279 177.584 -0.585 0.000 1.172 1036 A CA 0.637 52.491 52.037 -0.305 0.000 0.786 1036 A CB -0.465 18.309 19.000 -0.376 0.000 0.804 1036 A HN 0.415 nan 8.150 nan 0.000 0.479 1037 F N -1.161 118.741 119.950 -0.080 0.000 2.815 1037 F HA 0.301 4.828 4.527 0.000 0.000 0.323 1037 F C 0.747 176.489 175.800 -0.097 0.000 1.151 1037 F CA -0.515 57.434 58.000 -0.084 0.000 1.191 1037 F CB 0.519 39.460 39.000 -0.099 0.000 1.069 1037 F HN 0.046 nan 8.300 nan 0.000 0.514 1038 R N 2.370 122.872 120.500 0.003 0.000 2.308 1038 R HA 0.236 4.576 4.340 0.000 0.000 0.325 1038 R C 0.054 176.308 176.300 -0.076 0.000 1.161 1038 R CA -0.091 55.975 56.100 -0.055 0.000 1.022 1038 R CB 0.260 30.517 30.300 -0.072 0.000 1.091 1038 R HN 0.352 nan 8.270 nan 0.000 0.497 1039 Q N 3.915 123.659 119.800 -0.092 0.000 2.584 1039 Q HA 0.035 4.375 4.340 0.000 0.000 0.235 1039 Q C -1.222 174.709 176.000 -0.116 0.000 1.079 1039 Q CA -1.350 54.395 55.803 -0.096 0.000 0.977 1039 Q CB 0.401 29.073 28.738 -0.110 0.000 1.293 1039 Q HN 0.485 nan 8.270 nan 0.000 0.553 1040 P HA -0.184 nan 4.420 nan 0.000 0.219 1040 P C 0.550 177.791 177.300 -0.099 0.000 1.144 1040 P CA 1.046 64.108 63.100 -0.064 0.000 0.806 1040 P CB 0.091 31.774 31.700 -0.029 0.000 0.771 1047 F N 1.471 121.478 119.950 0.096 0.000 2.412 1047 F HA 0.352 4.879 4.527 0.000 0.000 0.348 1047 F C 1.889 177.784 175.800 0.159 0.000 1.102 1047 F CA 0.823 58.930 58.000 0.178 0.000 1.196 1047 F CB 1.703 40.775 39.000 0.120 0.000 1.144 1047 F HN 0.416 nan 8.300 nan 0.000 0.541 1048 V N 0.545 120.675 119.914 0.359 0.000 2.594 1048 V HA -0.223 3.897 4.120 0.000 0.000 0.253 1048 V C 1.626 177.813 176.094 0.155 0.000 1.069 1048 V CA 1.607 64.021 62.300 0.189 0.000 1.082 1048 V CB -0.885 30.996 31.823 0.096 0.000 0.680 1048 V HN 0.778 nan 8.190 nan 0.000 0.469 1049 K N 0.408 120.928 120.400 0.199 0.000 2.439 1049 K HA 0.067 4.387 4.320 0.000 0.000 0.197 1049 K C 1.368 178.027 176.600 0.097 0.000 1.041 1049 K CA 0.322 56.677 56.287 0.113 0.000 0.970 1049 K CB -0.016 32.526 32.500 0.071 0.000 0.773 1049 K HN 0.546 nan 8.250 nan 0.000 0.479 1050 R N 0.732 121.320 120.500 0.146 0.000 2.573 1050 R HA 0.412 4.752 4.340 0.000 0.000 0.272 1050 R C -0.866 175.493 176.300 0.099 0.000 1.009 1050 R CA -0.449 55.722 56.100 0.118 0.000 1.059 1050 R CB 1.031 31.428 30.300 0.162 0.000 1.112 1050 R HN 0.011 nan 8.270 nan 0.000 0.517 1051 A N 4.255 127.127 122.820 0.087 0.000 2.462 1051 A HA 0.280 4.600 4.320 0.000 0.000 0.243 1051 A C -2.030 175.612 177.584 0.097 0.000 1.076 1051 A CA -1.233 50.858 52.037 0.090 0.000 0.773 1051 A CB -0.203 18.854 19.000 0.095 0.000 1.010 1051 A HN 0.589 nan 8.150 nan 0.000 0.493 1052 P HA 0.033 nan 4.420 nan 0.000 0.265 1052 P C -0.158 177.241 177.300 0.166 0.000 1.193 1052 P CA 0.282 63.403 63.100 0.036 0.000 0.765 1052 P CB 0.721 32.363 31.700 -0.096 0.000 0.823 1053 S N 1.529 117.317 115.700 0.147 0.000 2.541 1053 S HA 0.270 4.740 4.470 0.000 0.000 0.283 1053 S C 1.334 176.136 174.600 0.336 0.000 1.196 1053 S CA -0.401 57.937 58.200 0.231 0.000 1.062 1053 S CB 0.370 63.695 63.200 0.209 0.000 1.009 1053 S HN 0.398 nan 8.310 nan 0.000 0.502 1054 T N 3.781 118.557 114.554 0.370 0.000 2.851 1054 T HA -0.048 4.302 4.350 0.000 0.000 0.262 1054 T C 1.205 176.109 174.700 0.340 0.000 1.043 1054 T CA 1.016 63.352 62.100 0.394 0.000 1.140 1054 T CB -0.330 68.713 68.868 0.292 0.000 0.872 1054 T HN 0.850 nan 8.240 nan 0.000 0.446 1055 W N 1.452 122.833 121.300 0.134 0.000 2.407 1055 W HA 0.039 4.699 4.660 0.000 0.000 0.305 1055 W C 1.885 178.492 176.519 0.148 0.000 1.196 1055 W CA 0.326 57.725 57.345 0.089 0.000 1.311 1055 W CB -0.519 28.904 29.460 -0.063 0.000 1.135 1055 W HN 0.093 nan 8.180 nan 0.000 0.514 1056 L N 0.768 122.234 121.223 0.405 0.000 2.042 1056 L HA -0.191 4.149 4.340 0.000 0.000 0.210 1056 L C 2.287 179.164 176.870 0.012 0.000 1.076 1056 L CA 2.765 57.729 54.840 0.207 0.000 0.749 1056 L CB -1.346 40.871 42.059 0.263 0.000 0.893 1056 L HN -0.043 nan 8.230 nan 0.000 0.432 1057 T N -0.341 114.245 114.554 0.054 0.000 2.788 1057 T HA -0.116 4.234 4.350 0.000 0.000 0.268 1057 T C 1.838 176.518 174.700 -0.034 0.000 1.044 1057 T CA 1.195 63.292 62.100 -0.005 0.000 1.139 1057 T CB -0.429 68.492 68.868 0.088 0.000 0.867 1057 T HN 0.514 nan 8.240 nan 0.000 0.454 1058 A N 0.016 122.834 122.820 -0.004 0.000 2.014 1058 A HA 0.012 4.332 4.320 0.000 0.000 0.218 1058 A C 2.025 179.528 177.584 -0.134 0.000 1.163 1058 A CA 0.932 52.936 52.037 -0.055 0.000 0.652 1058 A CB -0.702 18.312 19.000 0.023 0.000 0.808 1058 A HN 0.574 nan 8.150 nan 0.000 0.449 1059 Y N 0.158 120.249 120.300 -0.348 0.000 2.337 1059 Y HA -0.041 4.509 4.550 0.000 0.000 0.293 1059 Y C 2.200 177.912 175.900 -0.313 0.000 1.123 1059 Y CA 1.285 59.139 58.100 -0.410 0.000 1.201 1059 Y CB -0.093 37.877 38.460 -0.818 0.000 1.011 1059 Y HN 0.053 nan 8.280 nan 0.000 0.545 1060 V N -0.792 118.941 119.914 -0.301 0.000 2.332 1060 V HA -0.317 3.803 4.120 0.000 0.000 0.248 1060 V C 2.269 178.086 176.094 -0.462 0.000 1.055 1060 V CA 1.864 63.906 62.300 -0.431 0.000 1.038 1060 V CB -0.870 30.642 31.823 -0.518 0.000 0.651 1060 V HN 0.318 nan 8.190 nan 0.000 0.450 1061 V N -0.049 119.661 119.914 -0.340 0.000 2.515 1061 V HA -0.266 3.854 4.120 0.000 0.000 0.250 1061 V C 2.376 178.374 176.094 -0.160 0.000 1.058 1061 V CA 2.221 64.395 62.300 -0.210 0.000 1.064 1061 V CB -0.721 31.008 31.823 -0.156 0.000 0.675 1061 V HN 0.583 nan 8.190 nan 0.000 0.461 1062 K N 0.150 120.377 120.400 -0.288 0.000 2.057 1062 K HA -0.134 4.186 4.320 0.000 0.000 0.206 1062 K C 2.025 178.504 176.600 -0.202 0.000 1.050 1062 K CA 1.621 57.740 56.287 -0.279 0.000 0.935 1062 K CB -0.078 32.154 32.500 -0.446 0.000 0.715 1062 K HN 0.343 nan 8.250 nan 0.000 0.439 1063 V N 0.754 120.445 119.914 -0.372 0.000 2.407 1063 V HA -0.155 3.965 4.120 0.000 0.000 0.245 1063 V C 2.060 178.232 176.094 0.130 0.000 1.041 1063 V CA 1.307 63.508 62.300 -0.165 0.000 1.040 1063 V CB -0.543 31.091 31.823 -0.314 0.000 0.671 1063 V HN 0.195 nan 8.190 nan 0.000 0.455 1064 F N 1.151 121.033 119.950 -0.114 0.000 2.134 1064 F HA -0.130 4.397 4.527 0.000 0.000 0.299 1064 F C 2.703 178.485 175.800 -0.030 0.000 1.097 1064 F CA 1.631 59.613 58.000 -0.030 0.000 1.264 1064 F CB -1.075 37.928 39.000 0.006 0.000 1.001 1064 F HN 0.055 nan 8.300 nan 0.000 0.479 1065 S N 0.025 115.815 115.700 0.151 0.000 2.423 1065 S HA -0.131 4.339 4.470 0.000 0.000 0.231 1065 S C 2.095 176.716 174.600 0.035 0.000 1.014 1065 S CA 0.756 58.997 58.200 0.069 0.000 0.965 1065 S CB -0.444 62.775 63.200 0.032 0.000 0.785 1065 S HN 0.371 nan 8.310 nan 0.000 0.495 1066 L N 0.578 121.823 121.223 0.038 0.000 2.270 1066 L HA 0.243 4.583 4.340 0.000 0.000 0.210 1066 L C 1.523 178.382 176.870 -0.018 0.000 1.104 1066 L CA 0.556 55.382 54.840 -0.022 0.000 0.804 1066 L CB -0.190 41.851 42.059 -0.029 0.000 0.937 1066 L HN 0.271 nan 8.230 nan 0.000 0.450 1067 A N -0.845 121.971 122.820 -0.006 0.000 2.833 1067 A HA 0.270 4.590 4.320 0.000 0.000 0.293 1067 A C 1.461 178.996 177.584 -0.082 0.000 1.338 1067 A CA 0.378 52.391 52.037 -0.041 0.000 0.959 1067 A CB -0.553 18.397 19.000 -0.084 0.000 1.094 1067 A HN 0.303 nan 8.150 nan 0.000 0.569 1068 V N -2.949 116.940 119.914 -0.041 0.000 2.649 1068 V HA -0.106 4.014 4.120 0.000 0.000 0.248 1068 V C 1.333 177.397 176.094 -0.049 0.000 1.054 1068 V CA 2.040 64.309 62.300 -0.051 0.000 1.073 1068 V CB -0.985 30.829 31.823 -0.014 0.000 0.699 1068 V HN 0.592 nan 8.190 nan 0.000 0.463 1069 N N 0.343 119.031 118.700 -0.020 0.000 2.422 1069 N HA 0.260 5.000 4.740 0.000 0.000 0.181 1069 N C 1.650 177.143 175.510 -0.027 0.000 1.080 1069 N CA 0.519 53.560 53.050 -0.015 0.000 0.893 1069 N CB 0.055 38.551 38.487 0.014 0.000 0.973 1069 N HN 0.426 nan 8.380 nan 0.000 0.456 1070 L N 0.683 121.886 121.223 -0.034 0.000 2.084 1070 L HA 0.205 4.545 4.340 0.000 0.000 0.202 1070 L C 1.178 177.997 176.870 -0.085 0.000 1.074 1070 L CA 0.703 55.517 54.840 -0.043 0.000 0.757 1070 L CB -0.251 41.794 42.059 -0.023 0.000 0.918 1070 L HN 0.174 nan 8.230 nan 0.000 0.444 1071 I N -3.744 116.744 120.570 -0.135 0.000 3.516 1071 I HA 0.652 4.822 4.170 0.000 0.000 0.297 1071 I C -0.348 175.636 176.117 -0.221 0.000 1.139 1071 I CA -1.212 59.977 61.300 -0.186 0.000 1.020 1071 I CB 1.758 39.604 38.000 -0.257 0.000 1.341 1071 I HN -0.231 nan 8.210 nan 0.000 0.490 1072 A N 3.055 125.718 122.820 -0.262 0.000 2.650 1072 A HA 0.514 4.834 4.320 0.000 0.000 0.320 1072 A C -0.184 177.180 177.584 -0.367 0.000 1.466 1072 A CA -0.374 51.524 52.037 -0.231 0.000 1.099 1072 A CB -0.777 18.135 19.000 -0.146 0.000 1.136 1072 A HN 0.443 nan 8.150 nan 0.000 0.532 1073 I N 2.025 122.412 120.570 -0.306 0.000 2.416 1073 I HA 0.079 4.249 4.170 0.000 0.000 0.288 1073 I C 0.370 176.471 176.117 -0.028 0.000 1.051 1073 I CA -0.236 60.909 61.300 -0.259 0.000 1.375 1073 I CB 0.706 38.635 38.000 -0.119 0.000 1.407 1073 I HN 0.540 nan 8.210 nan 0.000 0.516 1074 D N 4.053 124.527 120.400 0.123 0.000 2.389 1074 D HA 0.087 4.727 4.640 0.000 0.000 0.247 1074 D C 0.945 177.326 176.300 0.135 0.000 1.128 1074 D CA 0.228 54.318 54.000 0.150 0.000 0.884 1074 D CB 1.153 42.088 40.800 0.225 0.000 1.194 1074 D HN 0.421 nan 8.370 nan 0.000 0.441 1075 S N 2.316 118.067 115.700 0.085 0.000 2.461 1075 S HA -0.102 4.368 4.470 0.000 0.000 0.228 1075 S C 1.626 176.268 174.600 0.069 0.000 1.005 1075 S CA 0.382 58.624 58.200 0.069 0.000 0.942 1075 S CB 0.067 63.295 63.200 0.046 0.000 0.776 1075 S HN 0.537 nan 8.310 nan 0.000 0.514 1076 Q N 0.665 120.508 119.800 0.072 0.000 2.172 1076 Q HA 0.061 4.401 4.340 0.000 0.000 0.200 1076 Q C 2.303 178.339 176.000 0.059 0.000 0.964 1076 Q CA 0.912 56.750 55.803 0.058 0.000 0.855 1076 Q CB -0.470 28.299 28.738 0.051 0.000 0.918 1076 Q HN 0.450 nan 8.270 nan 0.000 0.444 1077 V N 0.800 120.766 119.914 0.088 0.000 2.446 1077 V HA -0.160 3.960 4.120 0.000 0.000 0.244 1077 V C 2.214 178.335 176.094 0.045 0.000 1.039 1077 V CA 0.925 63.267 62.300 0.071 0.000 1.045 1077 V CB -0.505 31.399 31.823 0.135 0.000 0.681 1077 V HN 0.181 nan 8.190 nan 0.000 0.459 1078 L N 0.240 121.521 121.223 0.097 0.000 2.027 1078 L HA -0.121 4.219 4.340 0.000 0.000 0.206 1078 L C 2.296 179.184 176.870 0.030 0.000 1.074 1078 L CA 2.176 57.054 54.840 0.064 0.000 0.745 1078 L CB -0.812 41.323 42.059 0.126 0.000 0.898 1078 L HN 0.359 nan 8.230 nan 0.000 0.433 1079 c N -0.029 118.599 118.600 0.046 0.000 2.448 1079 c HA 0.106 4.677 4.570 0.000 0.000 0.280 1079 c C 2.709 176.830 174.090 0.051 0.000 1.398 1079 c CA 0.234 56.589 56.329 0.043 0.000 1.774 1079 c CB -1.897 40.639 42.510 0.043 0.000 1.888 1079 c HN 0.740 nan 8.230 nan 0.000 0.519 1080 G N 0.724 109.550 108.800 0.043 0.000 2.408 1080 G HA2 -0.004 3.956 3.960 0.000 0.000 0.217 1080 G HA3 -0.004 3.956 3.960 0.000 0.000 0.217 1080 G C 1.822 176.765 174.900 0.072 0.000 1.150 1080 G CA 0.988 46.116 45.100 0.048 0.000 0.776 1080 G HN 0.590 nan 8.290 nan 0.000 0.542 1081 A N 0.020 122.863 122.820 0.037 0.000 1.930 1081 A HA 0.226 4.546 4.320 0.000 0.000 0.215 1081 A C 2.550 180.235 177.584 0.169 0.000 1.176 1081 A CA 1.435 53.515 52.037 0.073 0.000 0.632 1081 A CB -0.371 18.603 19.000 -0.044 0.000 0.819 1081 A HN 0.211 nan 8.150 nan 0.000 0.445 1082 V N 0.502 120.475 119.914 0.097 0.000 2.358 1082 V HA -0.252 3.868 4.120 0.000 0.000 0.246 1082 V C 2.509 178.678 176.094 0.125 0.000 1.047 1082 V CA 2.301 64.657 62.300 0.092 0.000 1.035 1082 V CB -0.633 31.219 31.823 0.048 0.000 0.658 1082 V HN 0.685 nan 8.190 nan 0.000 0.452 1083 K N -1.310 119.166 120.400 0.126 0.000 2.209 1083 K HA -0.253 4.067 4.320 0.000 0.000 0.204 1083 K C 1.994 178.692 176.600 0.163 0.000 1.048 1083 K CA 1.768 58.126 56.287 0.118 0.000 0.940 1083 K CB -0.210 32.352 32.500 0.102 0.000 0.729 1083 K HN 0.602 nan 8.250 nan 0.000 0.451 1084 W N 1.210 122.527 121.300 0.029 0.000 2.407 1084 W HA -0.056 4.604 4.660 0.000 0.000 0.305 1084 W C 1.371 177.928 176.519 0.064 0.000 1.196 1084 W CA 0.961 58.328 57.345 0.036 0.000 1.311 1084 W CB -0.202 29.274 29.460 0.026 0.000 1.135 1084 W HN -0.064 nan 8.180 nan 0.000 0.514 1085 L N 0.385 121.693 121.223 0.140 0.000 2.191 1085 L HA -0.221 4.119 4.340 0.000 0.000 0.212 1085 L C 2.218 179.119 176.870 0.053 0.000 1.103 1085 L CA 1.169 56.026 54.840 0.027 0.000 0.769 1085 L CB -0.634 41.550 42.059 0.209 0.000 0.908 1085 L HN 0.080 nan 8.230 nan 0.000 0.438 1086 I N -0.777 119.819 120.570 0.043 0.000 2.339 1086 I HA -0.211 3.959 4.170 0.000 0.000 0.245 1086 I C 2.065 178.116 176.117 -0.111 0.000 1.096 1086 I CA 1.073 62.377 61.300 0.007 0.000 1.408 1086 I CB -0.033 37.990 38.000 0.038 0.000 1.092 1086 I HN 0.169 nan 8.210 nan 0.000 0.423 1087 L N -0.135 121.018 121.223 -0.118 0.000 2.446 1087 L HA 0.029 4.369 4.340 0.000 0.000 0.219 1087 L C 2.154 178.901 176.870 -0.206 0.000 1.116 1087 L CA 0.448 55.211 54.840 -0.128 0.000 0.844 1087 L CB -0.169 41.853 42.059 -0.062 0.000 0.970 1087 L HN 0.222 nan 8.230 nan 0.000 0.457 1088 E N -0.005 119.977 120.200 -0.363 0.000 2.329 1088 E HA 0.101 4.451 4.350 0.000 0.000 0.189 1088 E C 0.631 176.973 176.600 -0.430 0.000 0.997 1088 E CA 0.301 56.422 56.400 -0.465 0.000 1.062 1088 E CB 0.198 29.362 29.700 -0.894 0.000 1.260 1088 E HN 0.039 nan 8.360 nan 0.000 0.490 1089 K N 2.074 122.146 120.400 -0.546 0.000 3.165 1089 K HA 0.205 4.525 4.320 0.000 0.000 0.259 1089 K C -0.180 176.253 176.600 -0.279 0.000 1.282 1089 K CA 0.022 56.112 56.287 -0.328 0.000 1.259 1089 K CB 0.024 32.355 32.500 -0.282 0.000 1.546 1089 K HN 0.181 nan 8.250 nan 0.000 0.384 1090 Q N 1.101 120.669 119.800 -0.387 0.000 2.269 1090 Q HA 0.208 4.548 4.340 0.000 0.000 0.263 1090 Q C -1.080 174.675 176.000 -0.408 0.000 0.983 1090 Q CA -0.501 54.938 55.803 -0.607 0.000 0.777 1090 Q CB 1.514 29.827 28.738 -0.708 0.000 1.273 1090 Q HN 0.093 nan 8.270 nan 0.000 0.440 1091 K N 3.622 123.786 120.400 -0.392 0.000 2.219 1091 K HA 0.147 4.467 4.320 0.000 0.000 0.258 1091 K C -1.822 174.629 176.600 -0.249 0.000 1.008 1091 K CA -1.520 54.602 56.287 -0.274 0.000 0.928 1091 K CB 0.514 32.859 32.500 -0.259 0.000 0.983 1091 K HN 0.391 nan 8.250 nan 0.000 0.484 1092 P HA -0.199 nan 4.420 nan 0.000 0.218 1092 P C 0.294 177.521 177.300 -0.121 0.000 1.146 1092 P CA 1.349 64.371 63.100 -0.130 0.000 0.813 1092 P CB 0.077 31.722 31.700 -0.091 0.000 0.778 1093 D N -2.196 118.118 120.400 -0.143 0.000 2.347 1093 D HA 0.066 4.706 4.640 0.000 0.000 0.213 1093 D C 1.454 177.671 176.300 -0.138 0.000 0.985 1093 D CA 0.920 54.858 54.000 -0.104 0.000 0.879 1093 D CB -0.836 39.910 40.800 -0.091 0.000 0.919 1093 D HN 0.239 nan 8.370 nan 0.000 0.526 1094 G N -0.640 108.013 108.800 -0.244 0.000 2.179 1094 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 1094 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 1094 G C 0.034 174.695 174.900 -0.399 0.000 0.990 1094 G CA 0.020 44.959 45.100 -0.268 0.000 0.646 1094 G HN 0.349 nan 8.290 nan 0.000 0.517 1095 V N 1.514 121.123 119.914 -0.507 0.000 2.530 1095 V HA 0.565 4.685 4.120 0.000 0.000 0.282 1095 V C 0.432 176.290 176.094 -0.395 0.000 1.048 1095 V CA -0.182 61.828 62.300 -0.482 0.000 0.997 1095 V CB 0.767 32.180 31.823 -0.683 0.000 0.987 1095 V HN 0.208 nan 8.190 nan 0.000 0.477 1096 F N 3.478 123.355 119.950 -0.122 0.000 2.411 1096 F HA 0.439 4.966 4.527 0.000 0.000 0.350 1096 F C 0.459 176.232 175.800 -0.044 0.000 1.114 1096 F CA -0.039 57.921 58.000 -0.068 0.000 1.135 1096 F CB 1.051 40.048 39.000 -0.006 0.000 1.120 1096 F HN 0.456 nan 8.300 nan 0.000 0.495 1097 Q N 2.624 122.471 119.800 0.078 0.000 2.282 1097 Q HA 0.282 4.622 4.340 0.000 0.000 0.260 1097 Q C -0.975 175.079 176.000 0.090 0.000 0.964 1097 Q CA -1.020 54.813 55.803 0.051 0.000 0.880 1097 Q CB 1.670 30.398 28.738 -0.015 0.000 1.286 1097 Q HN 0.603 nan 8.270 nan 0.000 0.445 1098 E N 2.373 122.628 120.200 0.093 0.000 2.194 1098 E HA 0.092 4.442 4.350 0.000 0.000 0.284 1098 E C -0.898 175.752 176.600 0.083 0.000 1.035 1098 E CA 0.088 56.553 56.400 0.109 0.000 0.836 1098 E CB 0.883 30.640 29.700 0.095 0.000 1.070 1098 E HN 0.552 nan 8.360 nan 0.000 0.401 1099 D N 3.267 123.731 120.400 0.107 0.000 2.441 1099 D HA 0.243 4.883 4.640 0.000 0.000 0.210 1099 D C -0.596 175.762 176.300 0.097 0.000 1.102 1099 D CA 0.288 54.342 54.000 0.090 0.000 0.840 1099 D CB 0.944 41.802 40.800 0.097 0.000 0.990 1099 D HN 0.341 nan 8.370 nan 0.000 0.505 1100 A N 1.475 124.365 122.820 0.116 0.000 3.158 1100 A HA 0.456 4.776 4.320 0.000 0.000 0.302 1100 A C -2.817 174.824 177.584 0.095 0.000 1.162 1100 A CA -1.011 51.087 52.037 0.103 0.000 0.824 1100 A CB 0.651 19.727 19.000 0.126 0.000 1.322 1100 A HN -0.217 nan 8.150 nan 0.000 0.510 1101 P HA 0.186 nan 4.420 nan 0.000 0.264 1101 P C 0.716 178.020 177.300 0.007 0.000 1.183 1101 P CA 0.204 63.309 63.100 0.009 0.000 0.763 1101 P CB 0.682 32.364 31.700 -0.030 0.000 0.807 1102 V N 2.185 122.088 119.914 -0.018 0.000 2.872 1102 V HA 0.013 4.133 4.120 0.000 0.000 0.307 1102 V C 1.564 177.639 176.094 -0.032 0.000 1.072 1102 V CA 0.156 62.459 62.300 0.004 0.000 1.148 1102 V CB -0.358 31.456 31.823 -0.016 0.000 0.954 1102 V HN 0.451 nan 8.190 nan 0.000 0.490 1103 I N 1.357 121.929 120.570 0.003 0.000 2.142 1103 I HA -0.112 4.058 4.170 0.000 0.000 0.240 1103 I C 1.377 177.404 176.117 -0.150 0.000 1.078 1103 I CA 1.203 62.459 61.300 -0.073 0.000 1.343 1103 I CB -0.531 37.419 38.000 -0.083 0.000 1.046 1103 I HN 0.717 nan 8.210 nan 0.000 0.405 1104 H N 3.906 122.949 119.070 -0.045 0.000 3.205 1104 H HA 0.078 4.634 4.556 0.000 0.000 0.262 1104 H C 0.414 175.640 175.328 -0.169 0.000 1.333 1104 H CA 0.075 56.077 56.048 -0.076 0.000 1.499 1104 H CB 0.321 30.040 29.762 -0.072 0.000 1.609 1104 H HN 0.351 nan 8.280 nan 0.000 0.498 1105 Q N 2.016 121.766 119.800 -0.084 0.000 2.291 1105 Q HA -0.056 4.284 4.340 0.000 0.000 0.211 1105 Q C 1.306 177.208 176.000 -0.163 0.000 0.925 1105 Q CA 0.286 55.990 55.803 -0.166 0.000 0.949 1105 Q CB 0.327 28.989 28.738 -0.126 0.000 1.015 1105 Q HN 0.745 nan 8.270 nan 0.000 0.477 1106 E N -0.781 119.324 120.200 -0.158 0.000 2.539 1106 E HA -0.038 4.312 4.350 0.000 0.000 0.215 1106 E C 1.465 177.927 176.600 -0.230 0.000 0.965 1106 E CA 0.128 56.409 56.400 -0.199 0.000 1.019 1106 E CB -0.138 29.332 29.700 -0.384 0.000 1.059 1106 E HN 0.389 nan 8.360 nan 0.000 0.496 1107 M N 0.308 119.758 119.600 -0.251 0.000 2.510 1107 M HA 0.276 4.756 4.480 0.000 0.000 0.256 1107 M C 2.071 178.194 176.300 -0.294 0.000 1.132 1107 M CA 0.569 55.739 55.300 -0.217 0.000 1.105 1107 M CB -0.572 31.928 32.600 -0.166 0.000 1.375 1107 M HN 0.066 nan 8.290 nan 0.000 0.477 1108 I N -1.449 118.766 120.570 -0.592 0.000 2.928 1108 I HA 0.388 4.558 4.170 0.000 0.000 0.266 1108 I C 1.318 177.294 176.117 -0.235 0.000 1.234 1108 I CA 0.495 61.305 61.300 -0.816 0.000 1.483 1108 I CB -0.922 36.323 38.000 -1.258 0.000 1.097 1108 I HN 0.491 nan 8.210 nan 0.000 0.455 1109 G N 1.694 110.443 108.800 -0.085 0.000 2.523 1109 G HA2 -0.337 3.623 3.960 0.000 0.000 0.271 1109 G HA3 -0.337 3.623 3.960 0.000 0.000 0.271 1109 G C 0.839 175.678 174.900 -0.101 0.000 1.146 1109 G CA 0.138 45.319 45.100 0.136 0.000 0.961 1109 G HN 0.594 nan 8.290 nan 0.000 0.549 1110 G N -0.363 108.253 108.800 -0.307 0.000 2.625 1110 G HA2 0.248 4.208 3.960 0.000 0.000 0.214 1110 G HA3 0.248 4.208 3.960 0.000 0.000 0.214 1110 G C 1.548 175.980 174.900 -0.781 0.000 1.132 1110 G CA 1.420 45.832 45.100 -1.147 0.000 0.782 1110 G HN 0.671 nan 8.290 nan 0.000 0.538 1111 L N -0.296 120.700 121.223 -0.379 0.000 2.552 1111 L HA 0.255 4.595 4.340 0.000 0.000 0.227 1111 L C 2.524 179.208 176.870 -0.311 0.000 1.146 1111 L CA 0.498 55.183 54.840 -0.259 0.000 0.858 1111 L CB -0.194 41.721 42.059 -0.240 0.000 0.969 1111 L HN 0.159 nan 8.230 nan 0.000 0.451 1112 R N 0.014 120.285 120.500 -0.381 0.000 2.148 1112 R HA -0.064 4.277 4.340 0.000 0.000 0.223 1112 R C 0.827 176.974 176.300 -0.256 0.000 1.088 1112 R CA 0.212 56.135 56.100 -0.295 0.000 0.985 1112 R CB 0.025 30.181 30.300 -0.239 0.000 0.880 1112 R HN 0.255 nan 8.270 nan 0.000 0.451 1113 N N 1.263 119.763 118.700 -0.334 0.000 2.431 1113 N HA -0.042 4.698 4.740 0.000 0.000 0.265 1113 N C -0.350 175.071 175.510 -0.150 0.000 1.184 1113 N CA 0.440 53.346 53.050 -0.241 0.000 0.943 1113 N CB 0.467 38.777 38.487 -0.296 0.000 1.080 1113 N HN 0.232 nan 8.380 nan 0.000 0.477 1114 N N 2.175 120.814 118.700 -0.102 0.000 2.443 1114 N HA -0.116 4.624 4.740 0.000 0.000 0.184 1114 N C -0.509 174.976 175.510 -0.042 0.000 1.037 1114 N CA 0.346 53.357 53.050 -0.064 0.000 0.896 1114 N CB -0.060 38.398 38.487 -0.048 0.000 0.959 1114 N HN 0.502 nan 8.380 nan 0.000 0.442 1115 N N 2.525 121.197 118.700 -0.047 0.000 2.434 1115 N HA -0.008 4.732 4.740 0.000 0.000 0.268 1115 N C -0.620 174.888 175.510 -0.003 0.000 1.256 1115 N CA 0.587 53.623 53.050 -0.023 0.000 0.914 1115 N CB 0.113 38.584 38.487 -0.027 0.000 1.088 1115 N HN 0.155 nan 8.380 nan 0.000 0.478 1116 E N 0.348 120.557 120.200 0.015 0.000 2.291 1116 E HA -0.271 4.079 4.350 0.000 0.000 0.181 1116 E C 0.109 176.744 176.600 0.057 0.000 1.480 1116 E CA 0.401 56.826 56.400 0.041 0.000 0.674 1116 E CB -0.793 28.930 29.700 0.039 0.000 1.108 1116 E HN 0.717 nan 8.360 nan 0.000 0.357 1117 K N -0.487 119.944 120.400 0.051 0.000 2.404 1117 K HA 0.029 4.349 4.320 0.000 0.000 0.194 1117 K C 0.502 177.159 176.600 0.096 0.000 1.023 1117 K CA 0.240 56.561 56.287 0.056 0.000 1.094 1117 K CB 0.508 33.020 32.500 0.021 0.000 0.841 1117 K HN -0.008 nan 8.250 nan 0.000 0.523 1118 D N 0.560 121.032 120.400 0.121 0.000 2.348 1118 D HA 0.040 4.681 4.640 0.000 0.000 0.211 1118 D C 1.510 177.972 176.300 0.270 0.000 0.998 1118 D CA 0.693 54.794 54.000 0.167 0.000 0.873 1118 D CB 0.299 41.214 40.800 0.191 0.000 0.925 1118 D HN 0.220 nan 8.370 nan 0.000 0.524 1119 M N -0.312 119.424 119.600 0.226 0.000 2.800 1119 M HA 0.247 4.727 4.480 0.000 0.000 0.257 1119 M C 2.126 178.535 176.300 0.182 0.000 1.309 1119 M CA 0.332 55.771 55.300 0.230 0.000 1.202 1119 M CB -0.620 32.066 32.600 0.143 0.000 1.273 1119 M HN -0.052 nan 8.290 nan 0.000 0.528 1120 A N 0.818 123.729 122.820 0.152 0.000 1.877 1120 A HA -0.157 4.163 4.320 0.000 0.000 0.216 1120 A C 2.145 179.847 177.584 0.197 0.000 1.186 1120 A CA 1.466 53.597 52.037 0.157 0.000 0.620 1120 A CB -0.941 18.166 19.000 0.179 0.000 0.822 1120 A HN 0.378 nan 8.150 nan 0.000 0.443 1121 L N -0.205 121.132 121.223 0.189 0.000 2.027 1121 L HA -0.094 4.246 4.340 0.000 0.000 0.206 1121 L C 2.424 179.433 176.870 0.231 0.000 1.074 1121 L CA 2.835 57.809 54.840 0.223 0.000 0.745 1121 L CB -1.120 41.051 42.059 0.186 0.000 0.898 1121 L HN 0.365 nan 8.230 nan 0.000 0.433 1122 T N -0.139 114.556 114.554 0.235 0.000 2.833 1122 T HA -0.115 4.235 4.350 0.000 0.000 0.269 1122 T C 1.823 176.626 174.700 0.172 0.000 1.054 1122 T CA 1.210 63.474 62.100 0.274 0.000 1.135 1122 T CB -0.442 68.626 68.868 0.332 0.000 0.869 1122 T HN 0.511 nan 8.240 nan 0.000 0.466 1123 A N 0.264 123.186 122.820 0.169 0.000 2.016 1123 A HA 0.168 4.488 4.320 0.000 0.000 0.217 1123 A C 1.905 179.544 177.584 0.091 0.000 1.162 1123 A CA 0.603 52.706 52.037 0.109 0.000 0.662 1123 A CB -0.671 18.382 19.000 0.087 0.000 0.812 1123 A HN 0.485 nan 8.150 nan 0.000 0.450 1124 F N 0.466 120.418 119.950 0.003 0.000 2.098 1124 F HA -0.084 4.443 4.527 0.000 0.000 0.294 1124 F C 2.169 177.931 175.800 -0.063 0.000 1.107 1124 F CA 1.846 59.860 58.000 0.023 0.000 1.234 1124 F CB -0.098 38.969 39.000 0.112 0.000 1.002 1124 F HN 0.011 nan 8.300 nan 0.000 0.472 1125 V N 0.563 120.465 119.914 -0.020 0.000 2.490 1125 V HA -0.261 3.859 4.120 0.000 0.000 0.250 1125 V C 2.290 178.136 176.094 -0.415 0.000 1.061 1125 V CA 1.535 63.631 62.300 -0.340 0.000 1.064 1125 V CB -0.811 30.549 31.823 -0.771 0.000 0.670 1125 V HN 0.400 nan 8.190 nan 0.000 0.461 1126 L N 0.089 121.131 121.223 -0.301 0.000 2.046 1126 L HA -0.109 4.231 4.340 0.000 0.000 0.208 1126 L C 2.162 178.936 176.870 -0.160 0.000 1.077 1126 L CA 1.850 56.586 54.840 -0.174 0.000 0.747 1126 L CB -0.505 41.526 42.059 -0.047 0.000 0.896 1126 L HN 0.228 nan 8.230 nan 0.000 0.432 1127 I N -1.223 119.248 120.570 -0.165 0.000 2.286 1127 I HA -0.275 3.895 4.170 0.000 0.000 0.248 1127 I C 2.184 178.208 176.117 -0.155 0.000 1.115 1127 I CA 1.316 62.531 61.300 -0.141 0.000 1.392 1127 I CB -0.410 37.581 38.000 -0.015 0.000 1.065 1127 I HN 0.192 nan 8.210 nan 0.000 0.418 1128 S N 0.626 116.183 115.700 -0.238 0.000 2.453 1128 S HA 0.038 4.508 4.470 0.000 0.000 0.231 1128 S C 1.885 176.400 174.600 -0.142 0.000 1.005 1128 S CA 0.847 58.917 58.200 -0.215 0.000 0.949 1128 S CB -0.081 62.941 63.200 -0.296 0.000 0.774 1128 S HN 0.370 nan 8.310 nan 0.000 0.510 1129 L N 0.786 121.927 121.223 -0.137 0.000 2.375 1129 L HA 0.059 4.399 4.340 0.000 0.000 0.215 1129 L C 2.362 179.196 176.870 -0.060 0.000 1.108 1129 L CA 0.696 55.488 54.840 -0.081 0.000 0.830 1129 L CB -0.292 41.728 42.059 -0.064 0.000 0.959 1129 L HN 0.311 nan 8.230 nan 0.000 0.457 1130 Q N -0.206 119.546 119.800 -0.080 0.000 2.302 1130 Q HA -0.079 4.261 4.340 0.000 0.000 0.202 1130 Q C 1.557 177.522 176.000 -0.058 0.000 0.936 1130 Q CA 0.657 56.415 55.803 -0.074 0.000 0.886 1130 Q CB 0.226 28.895 28.738 -0.115 0.000 0.986 1130 Q HN 0.510 nan 8.270 nan 0.000 0.487 1131 E N 0.664 120.832 120.200 -0.054 0.000 2.358 1131 E HA -0.006 4.344 4.350 0.000 0.000 0.195 1131 E C 0.838 177.429 176.600 -0.015 0.000 1.010 1131 E CA 0.544 56.929 56.400 -0.025 0.000 0.856 1131 E CB 0.256 29.950 29.700 -0.010 0.000 0.795 1131 E HN 0.195 nan 8.360 nan 0.000 0.504 1132 A N 0.944 123.751 122.820 -0.023 0.000 2.610 1132 A HA 0.114 4.434 4.320 0.000 0.000 0.286 1132 A C 1.496 179.078 177.584 -0.005 0.000 1.306 1132 A CA -0.271 51.761 52.037 -0.008 0.000 0.942 1132 A CB 0.001 18.995 19.000 -0.010 0.000 1.112 1132 A HN -0.022 nan 8.150 nan 0.000 0.527 1133 K N 0.432 120.825 120.400 -0.011 0.000 1.967 1133 K HA -0.156 4.164 4.320 0.000 0.000 0.212 1133 K C 0.927 177.526 176.600 -0.001 0.000 1.044 1133 K CA 1.813 58.094 56.287 -0.009 0.000 0.942 1133 K CB -0.126 32.363 32.500 -0.017 0.000 0.726 1133 K HN 0.302 nan 8.250 nan 0.000 0.440 1134 D N 0.767 121.166 120.400 -0.001 0.000 2.182 1134 D HA -0.164 4.476 4.640 0.000 0.000 0.201 1134 D C 1.812 178.116 176.300 0.007 0.000 0.986 1134 D CA 1.136 55.137 54.000 0.002 0.000 0.847 1134 D CB -0.114 40.688 40.800 0.003 0.000 0.942 1134 D HN 0.358 nan 8.370 nan 0.000 0.467 1135 I N -0.466 120.110 120.570 0.010 0.000 2.500 1135 I HA -0.116 4.054 4.170 0.000 0.000 0.252 1135 I C 0.670 176.797 176.117 0.018 0.000 1.142 1135 I CA 0.548 61.857 61.300 0.016 0.000 1.451 1135 I CB 0.164 38.177 38.000 0.022 0.000 1.093 1135 I HN -0.047 nan 8.210 nan 0.000 0.430 1136 c N 1.245 119.854 118.600 0.016 0.000 3.273 1136 c HA 0.296 4.866 4.570 0.000 0.000 0.227 1136 c C 1.318 175.417 174.090 0.014 0.000 1.409 1136 c CA -0.581 55.759 56.329 0.018 0.000 1.516 1136 c CB -0.831 41.693 42.510 0.023 0.000 1.853 1136 c HN 0.388 nan 8.230 nan 0.000 0.472 1137 E N 0.252 120.459 120.200 0.012 0.000 2.399 1137 E HA -0.043 4.307 4.350 0.000 0.000 0.205 1137 E C 1.674 178.280 176.600 0.010 0.000 0.906 1137 E CA 0.328 56.734 56.400 0.009 0.000 0.998 1137 E CB 0.531 30.234 29.700 0.005 0.000 1.002 1137 E HN 0.509 nan 8.360 nan 0.000 0.501 1138 E N 1.013 121.220 120.200 0.011 0.000 2.340 1138 E HA -0.022 4.328 4.350 0.000 0.000 0.194 1138 E C 1.633 178.241 176.600 0.014 0.000 0.996 1138 E CA 0.833 57.239 56.400 0.011 0.000 0.869 1138 E CB 0.347 30.053 29.700 0.010 0.000 0.835 1138 E HN 0.114 nan 8.360 nan 0.000 0.493 1139 Q N -0.808 119.003 119.800 0.018 0.000 2.376 1139 Q HA 0.180 4.520 4.340 0.000 0.000 0.206 1139 Q C -0.403 175.611 176.000 0.024 0.000 0.921 1139 Q CA 0.354 56.170 55.803 0.022 0.000 0.911 1139 Q CB 1.483 30.236 28.738 0.026 0.000 1.032 1139 Q HN 0.013 nan 8.270 nan 0.000 0.510 1140 V N 1.575 121.503 119.914 0.023 0.000 2.409 1140 V HA 0.152 4.272 4.120 0.000 0.000 0.290 1140 V C -0.103 176.002 176.094 0.018 0.000 1.017 1140 V CA -0.456 61.858 62.300 0.024 0.000 0.841 1140 V CB 1.441 33.283 31.823 0.031 0.000 1.003 1140 V HN 0.256 nan 8.190 nan 0.000 0.426 1141 N N 1.925 120.634 118.700 0.015 0.000 2.373 1141 N HA -0.071 4.669 4.740 0.000 0.000 0.181 1141 N C 1.527 177.042 175.510 0.008 0.000 1.082 1141 N CA 0.711 53.767 53.050 0.010 0.000 0.885 1141 N CB 0.326 38.818 38.487 0.008 0.000 0.977 1141 N HN 0.701 nan 8.380 nan 0.000 0.462 1142 S N 0.190 115.896 115.700 0.011 0.000 2.671 1142 S HA 0.092 4.562 4.470 0.000 0.000 0.220 1142 S C 1.475 176.083 174.600 0.013 0.000 0.951 1142 S CA -0.204 58.000 58.200 0.007 0.000 0.932 1142 S CB 0.017 63.219 63.200 0.003 0.000 0.777 1142 S HN 0.139 nan 8.310 nan 0.000 0.508 1143 L N 2.357 123.590 121.223 0.017 0.000 2.049 1143 L HA 0.287 4.627 4.340 0.000 0.000 0.203 1143 L C -1.205 175.674 176.870 0.015 0.000 1.074 1143 L CA 1.265 56.117 54.840 0.022 0.000 0.749 1143 L CB -1.203 40.867 42.059 0.019 0.000 0.907 1143 L HN 0.087 nan 8.230 nan 0.000 0.439 1144 P HA -0.111 nan 4.420 nan 0.000 0.215 1144 P C 1.563 178.864 177.300 0.002 0.000 1.153 1144 P CA 1.865 64.966 63.100 0.002 0.000 0.853 1144 P CB -0.370 31.329 31.700 -0.001 0.000 0.788 1145 G N -1.012 107.788 108.800 0.001 0.000 2.422 1145 G HA2 -0.220 3.740 3.960 0.000 0.000 0.218 1145 G HA3 -0.220 3.740 3.960 0.000 0.000 0.218 1145 G C 1.837 176.736 174.900 -0.002 0.000 1.140 1145 G CA 0.957 46.054 45.100 -0.004 0.000 0.775 1145 G HN 0.314 nan 8.290 nan 0.000 0.545 1146 S N -0.036 115.669 115.700 0.008 0.000 2.395 1146 S HA 0.035 4.505 4.470 0.000 0.000 0.225 1146 S C 2.392 177.025 174.600 0.055 0.000 1.027 1146 S CA 0.531 58.744 58.200 0.022 0.000 0.965 1146 S CB -0.240 62.990 63.200 0.050 0.000 0.812 1146 S HN 0.349 nan 8.310 nan 0.000 0.482 1147 I N 1.264 121.861 120.570 0.045 0.000 2.208 1147 I HA -0.179 3.991 4.170 0.000 0.000 0.245 1147 I C 2.501 178.635 176.117 0.029 0.000 1.097 1147 I CA 1.549 62.872 61.300 0.039 0.000 1.363 1147 I CB -0.812 37.194 38.000 0.009 0.000 1.051 1147 I HN 0.340 nan 8.210 nan 0.000 0.413 1148 T N 0.474 115.038 114.554 0.016 0.000 2.777 1148 T HA -0.121 4.229 4.350 0.000 0.000 0.266 1148 T C 1.983 176.697 174.700 0.023 0.000 1.040 1148 T CA 0.911 63.017 62.100 0.010 0.000 1.141 1148 T CB -0.068 68.800 68.868 0.001 0.000 0.868 1148 T HN 0.144 nan 8.240 nan 0.000 0.444 1149 K N 1.651 122.064 120.400 0.021 0.000 2.009 1149 K HA 0.053 4.373 4.320 0.000 0.000 0.210 1149 K C 2.601 179.239 176.600 0.062 0.000 1.049 1149 K CA 1.467 57.766 56.287 0.021 0.000 0.929 1149 K CB -0.913 31.574 32.500 -0.022 0.000 0.714 1149 K HN 0.364 nan 8.250 nan 0.000 0.440 1150 A N 0.676 123.548 122.820 0.088 0.000 2.019 1150 A HA -0.079 4.241 4.320 0.000 0.000 0.219 1150 A C 2.378 180.060 177.584 0.163 0.000 1.164 1150 A CA 2.035 54.174 52.037 0.170 0.000 0.644 1150 A CB -0.827 18.343 19.000 0.285 0.000 0.805 1150 A HN 0.414 nan 8.150 nan 0.000 0.449 1151 G N -0.594 108.263 108.800 0.094 0.000 2.464 1151 G HA2 -0.089 3.871 3.960 0.000 0.000 0.217 1151 G HA3 -0.089 3.871 3.960 0.000 0.000 0.217 1151 G C 1.014 175.948 174.900 0.056 0.000 1.138 1151 G CA 1.003 46.136 45.100 0.053 0.000 0.793 1151 G HN 0.448 nan 8.290 nan 0.000 0.539 1152 D N 0.220 120.666 120.400 0.076 0.000 2.097 1152 D HA -0.084 4.556 4.640 0.000 0.000 0.197 1152 D C 1.879 178.242 176.300 0.105 0.000 0.984 1152 D CA 0.398 54.439 54.000 0.069 0.000 0.826 1152 D CB -0.387 40.453 40.800 0.065 0.000 0.973 1152 D HN 0.282 nan 8.370 nan 0.000 0.460 1153 F N 1.254 121.215 119.950 0.019 0.000 2.146 1153 F HA -0.070 4.457 4.527 0.000 0.000 0.298 1153 F C 2.034 177.866 175.800 0.054 0.000 1.096 1153 F CA 1.099 59.117 58.000 0.031 0.000 1.275 1153 F CB -0.185 38.834 39.000 0.031 0.000 1.008 1153 F HN -0.123 nan 8.300 nan 0.000 0.480 1154 L N -0.066 121.231 121.223 0.123 0.000 2.141 1154 L HA -0.168 4.172 4.340 0.000 0.000 0.209 1154 L C 2.441 179.329 176.870 0.029 0.000 1.094 1154 L CA 1.678 56.558 54.840 0.066 0.000 0.763 1154 L CB -0.815 41.338 42.059 0.156 0.000 0.908 1154 L HN 0.258 nan 8.230 nan 0.000 0.437 1155 E N 0.621 120.817 120.200 -0.007 0.000 2.107 1155 E HA -0.188 4.162 4.350 0.000 0.000 0.191 1155 E C 2.216 178.801 176.600 -0.024 0.000 0.982 1155 E CA 1.030 57.408 56.400 -0.035 0.000 0.809 1155 E CB 0.090 29.757 29.700 -0.054 0.000 0.756 1155 E HN 0.437 nan 8.360 nan 0.000 0.459 1156 A N 0.887 123.664 122.820 -0.071 0.000 1.968 1156 A HA -0.059 4.261 4.320 0.000 0.000 0.217 1156 A C 1.278 178.792 177.584 -0.117 0.000 1.169 1156 A CA 0.931 52.916 52.037 -0.087 0.000 0.638 1156 A CB -0.024 18.916 19.000 -0.100 0.000 0.812 1156 A HN 0.178 nan 8.150 nan 0.000 0.446 1157 N N -1.487 117.091 118.700 -0.204 0.000 2.458 1157 N HA 0.188 4.928 4.740 0.000 0.000 0.274 1157 N C 0.101 175.567 175.510 -0.072 0.000 1.242 1157 N CA -0.110 52.818 53.050 -0.204 0.000 0.904 1157 N CB 0.118 38.344 38.487 -0.435 0.000 1.206 1157 N HN 0.588 nan 8.380 nan 0.000 0.510 1158 Y N 0.548 120.784 120.300 -0.106 0.000 2.476 1158 Y HA 0.190 4.740 4.550 0.000 0.000 0.283 1158 Y C 1.734 177.621 175.900 -0.021 0.000 1.109 1158 Y CA 0.742 58.812 58.100 -0.050 0.000 1.246 1158 Y CB 0.399 38.836 38.460 -0.037 0.000 1.068 1158 Y HN -0.039 nan 8.280 nan 0.000 0.552 1159 M N 0.033 119.684 119.600 0.086 0.000 2.619 1159 M HA -0.019 4.461 4.480 0.000 0.000 0.251 1159 M C -0.104 176.177 176.300 -0.031 0.000 1.106 1159 M CA 1.018 56.340 55.300 0.035 0.000 1.086 1159 M CB -1.060 31.572 32.600 0.052 0.000 1.465 1159 M HN 0.350 nan 8.290 nan 0.000 0.506 1160 N N 0.845 119.510 118.700 -0.058 0.000 2.671 1160 N HA 0.342 5.082 4.740 0.000 0.000 0.303 1160 N C -0.886 174.577 175.510 -0.078 0.000 1.351 1160 N CA -0.127 52.887 53.050 -0.060 0.000 0.991 1160 N CB 0.682 39.137 38.487 -0.053 0.000 1.307 1160 N HN 0.185 nan 8.380 nan 0.000 0.512 1161 L N 0.412 121.568 121.223 -0.111 0.000 2.362 1161 L HA 0.378 4.718 4.340 0.000 0.000 0.271 1161 L C 0.680 177.505 176.870 -0.075 0.000 1.002 1161 L CA -0.655 54.118 54.840 -0.112 0.000 0.818 1161 L CB 2.171 44.106 42.059 -0.207 0.000 1.298 1161 L HN 0.084 nan 8.230 nan 0.000 0.420 1162 Q N 1.080 120.856 119.800 -0.041 0.000 2.511 1162 Q HA 0.222 4.562 4.340 0.000 0.000 0.236 1162 Q C 0.247 176.245 176.000 -0.004 0.000 0.893 1162 Q CA 0.355 56.144 55.803 -0.023 0.000 0.947 1162 Q CB 0.559 29.287 28.738 -0.016 0.000 1.110 1162 Q HN 0.529 nan 8.270 nan 0.000 0.591 1163 R N 1.015 121.523 120.500 0.013 0.000 2.489 1163 R HA 0.147 4.487 4.340 0.000 0.000 0.287 1163 R C 1.211 177.562 176.300 0.085 0.000 1.053 1163 R CA 0.022 56.154 56.100 0.054 0.000 1.036 1163 R CB 0.510 30.855 30.300 0.076 0.000 0.966 1163 R HN 0.034 nan 8.270 nan 0.000 0.432 1164 S N 1.878 117.652 115.700 0.123 0.000 2.423 1164 S HA -0.164 4.306 4.470 0.000 0.000 0.231 1164 S C 1.403 176.154 174.600 0.252 0.000 1.014 1164 S CA 0.796 59.115 58.200 0.198 0.000 0.965 1164 S CB -0.180 63.128 63.200 0.181 0.000 0.785 1164 S HN 0.652 nan 8.310 nan 0.000 0.495 1165 Y N 2.652 123.011 120.300 0.098 0.000 2.220 1165 Y HA -0.146 4.404 4.550 0.000 0.000 0.291 1165 Y C 2.478 178.396 175.900 0.029 0.000 1.129 1165 Y CA 1.654 59.797 58.100 0.072 0.000 1.161 1165 Y CB -0.755 37.729 38.460 0.039 0.000 0.997 1165 Y HN 0.152 nan 8.280 nan 0.000 0.522 1166 T N -0.351 114.271 114.554 0.113 0.000 2.746 1166 T HA -0.159 4.191 4.350 0.000 0.000 0.267 1166 T C 2.007 176.672 174.700 -0.057 0.000 1.039 1166 T CA 1.630 63.737 62.100 0.011 0.000 1.142 1166 T CB -0.673 68.222 68.868 0.045 0.000 0.866 1166 T HN 0.200 nan 8.240 nan 0.000 0.444 1167 V N 1.558 121.452 119.914 -0.033 0.000 2.427 1167 V HA -0.123 3.997 4.120 0.000 0.000 0.248 1167 V C 2.812 179.017 176.094 0.184 0.000 1.051 1167 V CA 1.596 63.876 62.300 -0.033 0.000 1.048 1167 V CB -1.116 30.725 31.823 0.031 0.000 0.666 1167 V HN 0.525 nan 8.190 nan 0.000 0.456 1168 A N -0.271 122.592 122.820 0.071 0.000 1.874 1168 A HA -0.089 4.231 4.320 0.000 0.000 0.214 1168 A C 2.224 179.792 177.584 -0.027 0.000 1.189 1168 A CA 1.622 53.680 52.037 0.035 0.000 0.615 1168 A CB -0.474 18.396 19.000 -0.217 0.000 0.830 1168 A HN 0.460 nan 8.150 nan 0.000 0.443 1169 I N -0.726 119.677 120.570 -0.278 0.000 2.493 1169 I HA -0.164 4.006 4.170 0.000 0.000 0.254 1169 I C 2.312 178.374 176.117 -0.092 0.000 1.160 1169 I CA 1.154 62.211 61.300 -0.404 0.000 1.445 1169 I CB 0.001 37.554 38.000 -0.745 0.000 1.086 1169 I HN 0.319 nan 8.210 nan 0.000 0.433 1170 A N -0.075 122.756 122.820 0.019 0.000 2.081 1170 A HA 0.151 4.471 4.320 0.000 0.000 0.214 1170 A C 2.232 179.918 177.584 0.169 0.000 1.158 1170 A CA 0.826 52.947 52.037 0.140 0.000 0.724 1170 A CB -0.847 18.289 19.000 0.226 0.000 0.826 1170 A HN 0.456 nan 8.150 nan 0.000 0.463 1171 G N -1.457 107.446 108.800 0.171 0.000 2.403 1171 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 1171 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 1171 G C 1.463 176.228 174.900 -0.225 0.000 1.154 1171 G CA 1.229 46.257 45.100 -0.120 0.000 0.784 1171 G HN 0.547 nan 8.290 nan 0.000 0.538 1172 Y N 1.892 122.074 120.300 -0.198 0.000 2.395 1172 Y HA 0.309 4.859 4.550 0.000 0.000 0.293 1172 Y C 2.625 178.472 175.900 -0.088 0.000 1.123 1172 Y CA 0.522 58.539 58.100 -0.138 0.000 1.227 1172 Y CB -0.104 38.357 38.460 0.002 0.000 1.012 1172 Y HN 0.212 nan 8.280 nan 0.000 0.552 1173 A N -0.479 122.249 122.820 -0.154 0.000 2.119 1173 A HA 0.055 4.375 4.320 0.000 0.000 0.216 1173 A C 1.889 179.352 177.584 -0.201 0.000 1.152 1173 A CA 1.189 53.103 52.037 -0.204 0.000 0.708 1173 A CB -0.606 18.358 19.000 -0.060 0.000 0.805 1173 A HN 0.513 nan 8.150 nan 0.000 0.460 1174 L N -1.998 119.102 121.223 -0.204 0.000 2.575 1174 L HA 0.181 4.521 4.340 0.000 0.000 0.228 1174 L C 2.623 179.353 176.870 -0.234 0.000 1.075 1174 L CA 0.659 55.374 54.840 -0.209 0.000 0.867 1174 L CB -0.083 41.826 42.059 -0.250 0.000 1.097 1174 L HN 0.321 nan 8.230 nan 0.000 0.485 1175 A N -0.140 122.519 122.820 -0.268 0.000 2.014 1175 A HA -0.148 4.172 4.320 0.000 0.000 0.218 1175 A C 2.135 179.593 177.584 -0.211 0.000 1.163 1175 A CA 0.980 52.876 52.037 -0.236 0.000 0.652 1175 A CB -0.190 18.676 19.000 -0.222 0.000 0.808 1175 A HN 0.416 nan 8.150 nan 0.000 0.449 1176 Q N -0.818 118.812 119.800 -0.283 0.000 2.167 1176 Q HA -0.039 4.301 4.340 0.000 0.000 0.202 1176 Q C 1.892 177.797 176.000 -0.158 0.000 0.970 1176 Q CA 1.544 57.200 55.803 -0.245 0.000 0.855 1176 Q CB -0.227 28.305 28.738 -0.343 0.000 0.911 1176 Q HN 0.748 nan 8.270 nan 0.000 0.438 1177 M N -1.518 117.992 119.600 -0.151 0.000 2.476 1177 M HA 0.157 4.637 4.480 0.000 0.000 0.262 1177 M C 0.971 177.214 176.300 -0.096 0.000 1.111 1177 M CA 0.807 56.043 55.300 -0.107 0.000 1.127 1177 M CB 0.610 33.152 32.600 -0.096 0.000 1.376 1177 M HN 0.316 nan 8.290 nan 0.000 0.465 1178 G N 1.902 110.633 108.800 -0.115 0.000 2.142 1178 G HA2 -0.241 3.719 3.960 0.000 0.000 0.225 1178 G HA3 -0.241 3.719 3.960 0.000 0.000 0.225 1178 G C 0.255 175.091 174.900 -0.106 0.000 1.015 1178 G CA -0.211 44.828 45.100 -0.102 0.000 0.716 1178 G HN 0.511 nan 8.290 nan 0.000 0.508 1179 R N -0.845 119.577 120.500 -0.130 0.000 2.694 1179 R HA 0.391 4.731 4.340 0.000 0.000 0.334 1179 R C 0.274 176.463 176.300 -0.185 0.000 1.143 1179 R CA -0.399 55.622 56.100 -0.131 0.000 1.073 1179 R CB 0.403 30.634 30.300 -0.114 0.000 1.366 1179 R HN 0.228 nan 8.270 nan 0.000 0.577 1180 L N 1.298 122.402 121.223 -0.200 0.000 2.709 1180 L HA 0.334 4.675 4.340 0.000 0.000 0.236 1180 L C -0.690 176.073 176.870 -0.178 0.000 1.266 1180 L CA -0.061 54.623 54.840 -0.260 0.000 0.987 1180 L CB -0.037 41.830 42.059 -0.321 0.000 1.306 1180 L HN -0.045 nan 8.230 nan 0.000 0.467 1181 K N -0.051 120.267 120.400 -0.137 0.000 2.312 1181 K HA 0.886 5.206 4.320 0.000 0.000 0.236 1181 K C 0.603 177.165 176.600 -0.063 0.000 1.079 1181 K CA -0.663 55.574 56.287 -0.084 0.000 0.900 1181 K CB 0.744 33.204 32.500 -0.066 0.000 1.297 1181 K HN 0.276 nan 8.250 nan 0.000 0.498 1182 G N 1.093 109.871 108.800 -0.036 0.000 2.582 1182 G HA2 -0.269 3.691 3.960 0.000 0.000 0.288 1182 G HA3 -0.269 3.691 3.960 0.000 0.000 0.288 1182 G C -1.469 173.429 174.900 -0.003 0.000 1.247 1182 G CA 0.260 45.349 45.100 -0.019 0.000 0.972 1182 G HN 0.509 nan 8.290 nan 0.000 0.557 1183 P HA -0.052 nan 4.420 nan 0.000 0.216 1183 P C 2.213 179.557 177.300 0.072 0.000 1.150 1183 P CA 1.800 64.922 63.100 0.036 0.000 0.837 1183 P CB -0.077 31.645 31.700 0.035 0.000 0.786 1184 L N -1.138 120.110 121.223 0.041 0.000 2.083 1184 L HA -0.130 4.210 4.340 0.000 0.000 0.209 1184 L C 2.640 179.543 176.870 0.056 0.000 1.083 1184 L CA 1.333 56.196 54.840 0.039 0.000 0.752 1184 L CB -1.784 40.130 42.059 -0.240 0.000 0.899 1184 L HN -0.040 nan 8.230 nan 0.000 0.433 1185 L N -0.378 120.848 121.223 0.005 0.000 2.109 1185 L HA -0.137 4.203 4.340 0.000 0.000 0.207 1185 L C 2.251 179.191 176.870 0.117 0.000 1.086 1185 L CA 1.494 56.355 54.840 0.036 0.000 0.760 1185 L CB -0.800 41.250 42.059 -0.016 0.000 0.910 1185 L HN 0.324 nan 8.230 nan 0.000 0.437 1186 N N 0.051 118.802 118.700 0.085 0.000 2.142 1186 N HA -0.242 4.498 4.740 0.000 0.000 0.186 1186 N C 1.928 177.498 175.510 0.100 0.000 1.023 1186 N CA 1.668 54.758 53.050 0.067 0.000 0.852 1186 N CB -0.139 38.372 38.487 0.040 0.000 0.998 1186 N HN 0.432 nan 8.380 nan 0.000 0.424 1187 K N -0.769 119.729 120.400 0.164 0.000 2.026 1187 K HA -0.168 4.152 4.320 0.000 0.000 0.208 1187 K C 2.044 178.786 176.600 0.236 0.000 1.048 1187 K CA 1.241 57.635 56.287 0.178 0.000 0.929 1187 K CB -0.484 32.150 32.500 0.223 0.000 0.713 1187 K HN 0.212 nan 8.250 nan 0.000 0.439 1188 F N 1.723 121.815 119.950 0.236 0.000 2.161 1188 F HA -0.183 4.344 4.527 0.000 0.000 0.300 1188 F C 1.583 177.581 175.800 0.329 0.000 1.089 1188 F CA 1.399 59.586 58.000 0.311 0.000 1.282 1188 F CB -0.034 39.126 39.000 0.266 0.000 1.010 1188 F HN 0.002 nan 8.300 nan 0.000 0.485 1189 L N -0.386 120.899 121.223 0.103 0.000 2.095 1189 L HA -0.128 4.212 4.340 0.000 0.000 0.204 1189 L C 2.500 179.231 176.870 -0.232 0.000 1.080 1189 L CA 1.589 56.321 54.840 -0.179 0.000 0.759 1189 L CB -1.210 40.707 42.059 -0.238 0.000 0.914 1189 L HN 0.258 nan 8.230 nan 0.000 0.439 1190 T N -5.144 109.338 114.554 -0.120 0.000 3.085 1190 T HA -0.074 4.276 4.350 0.000 0.000 0.263 1190 T C 1.690 176.281 174.700 -0.181 0.000 1.127 1190 T CA 1.069 63.094 62.100 -0.125 0.000 1.103 1190 T CB -0.357 68.475 68.868 -0.060 0.000 0.921 1190 T HN 0.133 nan 8.240 nan 0.000 0.510 1191 T N 2.320 116.758 114.554 -0.194 0.000 2.821 1191 T HA 0.270 4.620 4.350 0.000 0.000 0.267 1191 T C 1.211 175.564 174.700 -0.578 0.000 1.046 1191 T CA 0.768 62.724 62.100 -0.239 0.000 1.139 1191 T CB -0.607 68.249 68.868 -0.021 0.000 0.871 1191 T HN 0.717 nan 8.240 nan 0.000 0.454 1192 A N 2.056 124.242 122.820 -1.057 0.000 2.524 1192 A HA 0.259 4.579 4.320 0.000 0.000 0.250 1192 A C 0.332 177.504 177.584 -0.687 0.000 1.078 1192 A CA -0.045 51.134 52.037 -1.429 0.000 0.761 1192 A CB -0.066 17.782 19.000 -1.919 0.000 1.012 1192 A HN 0.361 nan 8.150 nan 0.000 0.500 1193 K N 2.154 122.213 120.400 -0.568 0.000 2.258 1193 K HA 0.262 4.582 4.320 0.000 0.000 0.284 1193 K C -0.578 175.829 176.600 -0.320 0.000 1.051 1193 K CA -0.114 55.965 56.287 -0.347 0.000 0.923 1193 K CB 0.275 32.617 32.500 -0.262 0.000 1.046 1193 K HN 0.736 nan 8.250 nan 0.000 0.474 1194 D N 3.194 123.463 120.400 -0.219 0.000 3.079 1194 D HA -0.193 4.447 4.640 0.000 0.000 0.214 1194 D C -0.849 175.326 176.300 -0.208 0.000 1.145 1194 D CA 1.205 55.101 54.000 -0.174 0.000 0.958 1194 D CB -0.862 39.849 40.800 -0.148 0.000 1.117 1194 D HN 0.871 nan 8.370 nan 0.000 0.416 1195 K N -1.160 119.094 120.400 -0.243 0.000 3.148 1195 K HA -0.287 4.033 4.320 0.000 0.000 0.267 1195 K C 0.475 176.816 176.600 -0.431 0.000 0.996 1195 K CA 1.282 57.440 56.287 -0.216 0.000 0.737 1195 K CB -2.182 30.259 32.500 -0.099 0.000 1.308 1195 K HN 0.833 nan 8.250 nan 0.000 0.470 1196 N N -1.078 117.358 118.700 -0.439 0.000 1.872 1196 N HA -0.020 4.720 4.740 0.000 0.000 0.223 1196 N C -0.547 174.632 175.510 -0.551 0.000 1.424 1196 N CA -0.707 52.122 53.050 -0.368 0.000 0.710 1196 N CB 0.611 38.959 38.487 -0.233 0.000 1.074 1196 N HN 0.314 nan 8.380 nan 0.000 0.544 1197 R N -0.497 119.571 120.500 -0.721 0.000 2.633 1197 R HA 0.205 4.545 4.340 0.000 0.000 0.255 1197 R C -2.007 173.947 176.300 -0.578 0.000 1.106 1197 R CA -0.810 54.773 56.100 -0.863 0.000 0.959 1197 R CB 0.586 29.846 30.300 -1.733 0.000 1.259 1197 R HN 0.043 nan 8.270 nan 0.000 0.453 1198 W N 3.954 125.028 121.300 -0.375 0.000 2.175 1198 W HA 0.212 4.872 4.660 0.000 0.000 0.350 1198 W C -0.298 176.152 176.519 -0.115 0.000 0.877 1198 W CA -0.249 56.977 57.345 -0.198 0.000 1.544 1198 W CB 1.169 30.556 29.460 -0.120 0.000 1.585 1198 W HN 0.712 nan 8.180 nan 0.000 0.347 1199 E N 1.022 121.211 120.200 -0.018 0.000 2.222 1199 E HA 0.533 4.883 4.350 0.000 0.000 0.267 1199 E C -0.875 175.761 176.600 0.060 0.000 0.963 1199 E CA -0.740 55.685 56.400 0.042 0.000 0.837 1199 E CB 2.111 31.810 29.700 -0.002 0.000 1.183 1199 E HN -0.046 nan 8.360 nan 0.000 0.403 1200 D N 1.300 121.755 120.400 0.093 0.000 2.819 1200 D HA 0.238 4.878 4.640 0.000 0.000 0.232 1200 D C -2.465 173.875 176.300 0.067 0.000 1.160 1200 D CA -1.725 52.319 54.000 0.073 0.000 0.858 1200 D CB 1.823 42.678 40.800 0.091 0.000 1.610 1200 D HN 0.310 nan 8.370 nan 0.000 0.481 1201 P HA 0.190 nan 4.420 nan 0.000 0.250 1201 P C 0.059 177.389 177.300 0.051 0.000 1.198 1201 P CA 0.395 63.518 63.100 0.039 0.000 1.118 1201 P CB 0.216 31.930 31.700 0.022 0.000 1.208 1202 G N 2.673 111.513 108.800 0.067 0.000 2.498 1202 G HA2 0.102 4.062 3.960 0.000 0.000 0.181 1202 G HA3 0.102 4.062 3.960 0.000 0.000 0.181 1202 G C -1.183 173.763 174.900 0.076 0.000 1.169 1202 G CA -0.749 44.403 45.100 0.087 0.000 0.992 1202 G HN 0.270 nan 8.290 nan 0.000 0.490 1203 K N 0.467 120.922 120.400 0.093 0.000 2.219 1203 K HA 0.253 4.573 4.320 0.000 0.000 0.258 1203 K C 1.032 177.591 176.600 -0.069 0.000 1.008 1203 K CA -0.073 56.174 56.287 -0.067 0.000 0.928 1203 K CB 1.065 33.359 32.500 -0.343 0.000 0.983 1203 K HN 0.503 nan 8.250 nan 0.000 0.484 1204 Q N 0.739 120.473 119.800 -0.110 0.000 2.354 1204 Q HA 0.005 4.345 4.340 0.000 0.000 0.203 1204 Q C 1.747 177.669 176.000 -0.131 0.000 0.933 1204 Q CA 0.665 56.431 55.803 -0.062 0.000 0.901 1204 Q CB 0.110 28.812 28.738 -0.060 0.000 1.007 1204 Q HN 0.532 nan 8.270 nan 0.000 0.495 1205 L N -0.406 120.646 121.223 -0.286 0.000 2.291 1205 L HA -0.138 4.202 4.340 0.000 0.000 0.214 1205 L C 1.565 178.345 176.870 -0.150 0.000 1.120 1205 L CA 0.860 55.507 54.840 -0.323 0.000 0.799 1205 L CB -0.259 41.576 42.059 -0.374 0.000 0.925 1205 L HN 0.255 nan 8.230 nan 0.000 0.446 1206 Y N -0.335 119.961 120.300 -0.008 0.000 2.395 1206 Y HA -0.059 4.491 4.550 0.000 0.000 0.293 1206 Y C 2.395 178.383 175.900 0.147 0.000 1.123 1206 Y CA 0.231 58.332 58.100 0.002 0.000 1.227 1206 Y CB -0.676 37.705 38.460 -0.131 0.000 1.012 1206 Y HN 0.227 nan 8.280 nan 0.000 0.552 1207 N N -0.249 118.608 118.700 0.262 0.000 2.171 1207 N HA -0.106 4.634 4.740 0.000 0.000 0.184 1207 N C 2.013 177.715 175.510 0.320 0.000 1.021 1207 N CA 1.156 54.377 53.050 0.285 0.000 0.854 1207 N CB -0.706 37.933 38.487 0.253 0.000 0.994 1207 N HN 0.145 nan 8.380 nan 0.000 0.426 1208 V N 1.522 121.577 119.914 0.235 0.000 2.407 1208 V HA -0.190 3.930 4.120 0.000 0.000 0.248 1208 V C 2.343 178.561 176.094 0.207 0.000 1.055 1208 V CA 1.621 64.035 62.300 0.190 0.000 1.049 1208 V CB -0.469 31.277 31.823 -0.127 0.000 0.662 1208 V HN 0.394 nan 8.190 nan 0.000 0.455 1209 E N 0.342 120.700 120.200 0.263 0.000 2.072 1209 E HA -0.179 4.171 4.350 0.000 0.000 0.190 1209 E C 2.247 179.139 176.600 0.487 0.000 0.982 1209 E CA 1.190 57.827 56.400 0.396 0.000 0.803 1209 E CB -0.207 29.819 29.700 0.543 0.000 0.755 1209 E HN 0.549 nan 8.360 nan 0.000 0.453 1210 A N 0.279 123.389 122.820 0.484 0.000 1.933 1210 A HA -0.146 4.174 4.320 0.000 0.000 0.218 1210 A C 2.321 180.018 177.584 0.188 0.000 1.175 1210 A CA 1.932 54.167 52.037 0.331 0.000 0.628 1210 A CB -0.786 18.469 19.000 0.424 0.000 0.814 1210 A HN 0.332 nan 8.150 nan 0.000 0.444 1211 T N -0.215 114.476 114.554 0.228 0.000 2.951 1211 T HA -0.050 4.300 4.350 0.000 0.000 0.268 1211 T C 2.185 176.928 174.700 0.073 0.000 1.073 1211 T CA 1.392 63.596 62.100 0.173 0.000 1.134 1211 T CB -0.173 68.858 68.868 0.272 0.000 0.884 1211 T HN 0.472 nan 8.240 nan 0.000 0.479 1212 S N 0.659 116.408 115.700 0.081 0.000 2.355 1212 S HA -0.050 4.420 4.470 0.000 0.000 0.222 1212 S C 1.718 176.203 174.600 -0.192 0.000 1.031 1212 S CA 0.959 59.124 58.200 -0.058 0.000 0.993 1212 S CB -0.457 62.690 63.200 -0.088 0.000 0.859 1212 S HN 0.541 nan 8.310 nan 0.000 0.453 1213 Y N 1.658 121.876 120.300 -0.137 0.000 2.293 1213 Y HA -0.043 4.507 4.550 0.000 0.000 0.291 1213 Y C 2.587 178.334 175.900 -0.255 0.000 1.137 1213 Y CA 0.718 58.676 58.100 -0.238 0.000 1.202 1213 Y CB -0.528 37.846 38.460 -0.144 0.000 0.990 1213 Y HN 0.278 nan 8.280 nan 0.000 0.537 1214 A N -0.504 122.235 122.820 -0.135 0.000 1.929 1214 A HA -0.134 4.186 4.320 0.000 0.000 0.216 1214 A C 2.100 179.611 177.584 -0.122 0.000 1.176 1214 A CA 1.321 53.192 52.037 -0.277 0.000 0.628 1214 A CB -0.870 17.330 19.000 -1.333 0.000 0.816 1214 A HN 0.409 nan 8.150 nan 0.000 0.444 1215 L N -0.171 120.983 121.223 -0.115 0.000 2.056 1215 L HA -0.044 4.296 4.340 0.000 0.000 0.207 1215 L C 2.197 179.034 176.870 -0.054 0.000 1.078 1215 L CA 1.583 56.408 54.840 -0.025 0.000 0.749 1215 L CB -0.524 41.526 42.059 -0.015 0.000 0.901 1215 L HN 0.387 nan 8.230 nan 0.000 0.433 1216 L N -0.738 120.364 121.223 -0.202 0.000 2.131 1216 L HA -0.157 4.183 4.340 0.000 0.000 0.210 1216 L C 2.613 179.456 176.870 -0.044 0.000 1.092 1216 L CA 1.001 55.669 54.840 -0.286 0.000 0.759 1216 L CB -0.863 40.650 42.059 -0.911 0.000 0.903 1216 L HN 0.381 nan 8.230 nan 0.000 0.435 1217 A N 0.225 123.044 122.820 -0.002 0.000 1.898 1217 A HA -0.133 4.187 4.320 0.000 0.000 0.216 1217 A C 2.220 179.779 177.584 -0.042 0.000 1.181 1217 A CA 1.234 53.300 52.037 0.049 0.000 0.620 1217 A CB -0.572 18.275 19.000 -0.255 0.000 0.819 1217 A HN 0.354 nan 8.150 nan 0.000 0.442 1218 L N -0.638 120.591 121.223 0.011 0.000 2.093 1218 L HA -0.131 4.209 4.340 0.000 0.000 0.208 1218 L C 2.407 179.216 176.870 -0.102 0.000 1.085 1218 L CA 0.812 55.664 54.840 0.021 0.000 0.755 1218 L CB -0.502 41.648 42.059 0.152 0.000 0.904 1218 L HN 0.355 nan 8.230 nan 0.000 0.435 1219 L N -0.729 120.454 121.223 -0.067 0.000 2.156 1219 L HA -0.172 4.168 4.340 0.000 0.000 0.208 1219 L C 2.564 179.386 176.870 -0.080 0.000 1.095 1219 L CA 0.680 55.455 54.840 -0.109 0.000 0.770 1219 L CB -0.321 41.752 42.059 0.023 0.000 0.914 1219 L HN 0.267 nan 8.230 nan 0.000 0.439 1220 Q N 0.491 120.284 119.800 -0.012 0.000 2.187 1220 Q HA -0.063 4.277 4.340 0.000 0.000 0.199 1220 Q C 1.913 177.877 176.000 -0.059 0.000 0.957 1220 Q CA 1.308 57.110 55.803 -0.002 0.000 0.857 1220 Q CB 0.043 28.805 28.738 0.040 0.000 0.929 1220 Q HN 0.479 nan 8.270 nan 0.000 0.453 1221 L N -0.053 121.112 121.223 -0.096 0.000 2.592 1221 L HA 0.177 4.517 4.340 0.000 0.000 0.227 1221 L C -0.093 176.701 176.870 -0.127 0.000 1.127 1221 L CA 0.072 54.851 54.840 -0.103 0.000 0.884 1221 L CB -0.011 41.983 42.059 -0.107 0.000 1.065 1221 L HN 0.114 nan 8.230 nan 0.000 0.457 1222 K N 0.954 121.211 120.400 -0.238 0.000 3.239 1222 K HA -0.204 4.116 4.320 0.000 0.000 0.270 1222 K C -0.287 176.052 176.600 -0.434 0.000 1.049 1222 K CA 0.502 56.529 56.287 -0.434 0.000 0.769 1222 K CB -1.269 31.216 32.500 -0.024 0.000 1.305 1222 K HN 0.145 nan 8.250 nan 0.000 0.469 1223 D N 0.510 120.638 120.400 -0.452 0.000 2.590 1223 D HA 0.195 4.835 4.640 0.000 0.000 0.280 1223 D C 0.152 176.375 176.300 -0.127 0.000 1.197 1223 D CA -0.690 53.213 54.000 -0.161 0.000 0.967 1223 D CB -0.083 40.711 40.800 -0.010 0.000 0.987 1223 D HN 0.169 nan 8.370 nan 0.000 0.508 1224 F N 0.233 120.259 119.950 0.126 0.000 2.816 1224 F HA 0.114 4.641 4.527 0.000 0.000 0.302 1224 F C 1.411 177.293 175.800 0.138 0.000 1.178 1224 F CA 0.018 58.095 58.000 0.128 0.000 1.421 1224 F CB 0.203 39.248 39.000 0.076 0.000 1.114 1224 F HN 0.126 nan 8.300 nan 0.000 0.573 1225 D N -1.245 119.319 120.400 0.274 0.000 2.366 1225 D HA -0.012 4.628 4.640 0.000 0.000 0.205 1225 D C 1.307 177.759 176.300 0.254 0.000 1.022 1225 D CA 0.652 54.792 54.000 0.233 0.000 0.868 1225 D CB -0.050 40.871 40.800 0.203 0.000 0.953 1225 D HN 0.294 nan 8.370 nan 0.000 0.514 1226 F N 0.054 120.074 119.950 0.116 0.000 2.706 1226 F HA 0.136 4.663 4.527 0.000 0.000 0.313 1226 F C 1.500 177.381 175.800 0.135 0.000 1.096 1226 F CA 0.031 58.100 58.000 0.114 0.000 1.219 1226 F CB 0.626 39.701 39.000 0.125 0.000 1.051 1226 F HN -0.275 nan 8.300 nan 0.000 0.568 1227 V N 1.515 121.563 119.914 0.224 0.000 2.379 1227 V HA -0.066 4.054 4.120 0.000 0.000 0.243 1227 V C -0.510 175.651 176.094 0.112 0.000 1.035 1227 V CA 1.457 63.876 62.300 0.198 0.000 1.035 1227 V CB -1.475 30.514 31.823 0.275 0.000 0.673 1227 V HN 0.104 nan 8.190 nan 0.000 0.457 1228 P HA -0.134 nan 4.420 nan 0.000 0.216 1228 P C -1.404 175.893 177.300 -0.004 0.000 1.157 1228 P CA 2.089 65.237 63.100 0.078 0.000 0.880 1228 P CB -1.311 30.444 31.700 0.091 0.000 0.791 1229 P HA -0.093 nan 4.420 nan 0.000 0.217 1229 P C 1.593 178.857 177.300 -0.060 0.000 1.150 1229 P CA 1.029 64.061 63.100 -0.113 0.000 0.832 1229 P CB -0.430 31.101 31.700 -0.282 0.000 0.787 1230 V N -0.476 119.405 119.914 -0.054 0.000 2.307 1230 V HA -0.175 3.945 4.120 0.000 0.000 0.245 1230 V C 2.472 178.632 176.094 0.109 0.000 1.045 1230 V CA 1.652 63.993 62.300 0.068 0.000 1.024 1230 V CB -1.223 30.701 31.823 0.168 0.000 0.651 1230 V HN -0.052 nan 8.190 nan 0.000 0.449 1231 V N 0.232 120.143 119.914 -0.006 0.000 2.407 1231 V HA -0.279 3.841 4.120 0.000 0.000 0.248 1231 V C 2.566 178.628 176.094 -0.053 0.000 1.055 1231 V CA 2.379 64.607 62.300 -0.121 0.000 1.049 1231 V CB -0.871 30.693 31.823 -0.431 0.000 0.662 1231 V HN 0.504 nan 8.190 nan 0.000 0.455 1232 R N -1.164 119.331 120.500 -0.009 0.000 2.105 1232 R HA -0.259 4.082 4.340 0.000 0.000 0.239 1232 R C 2.152 178.483 176.300 0.050 0.000 1.135 1232 R CA 2.248 58.355 56.100 0.011 0.000 0.967 1232 R CB -0.384 29.930 30.300 0.024 0.000 0.861 1232 R HN 0.657 nan 8.270 nan 0.000 0.442 1233 W N 0.938 122.196 121.300 -0.070 0.000 2.402 1233 W HA -0.100 4.560 4.660 0.000 0.000 0.286 1233 W C 1.407 177.890 176.519 -0.061 0.000 1.221 1233 W CA 1.092 58.403 57.345 -0.056 0.000 1.257 1233 W CB -0.051 29.384 29.460 -0.042 0.000 1.120 1233 W HN 0.049 nan 8.180 nan 0.000 0.551 1234 L N 0.538 121.798 121.223 0.062 0.000 2.044 1234 L HA -0.220 4.120 4.340 0.000 0.000 0.205 1234 L C 2.246 178.967 176.870 -0.248 0.000 1.075 1234 L CA 1.311 56.080 54.840 -0.118 0.000 0.747 1234 L CB -1.086 40.967 42.059 -0.011 0.000 0.903 1234 L HN -0.061 nan 8.230 nan 0.000 0.435 1235 N N 0.170 118.766 118.700 -0.173 0.000 2.223 1235 N HA -0.170 4.570 4.740 0.000 0.000 0.185 1235 N C 1.657 177.052 175.510 -0.191 0.000 1.016 1235 N CA 1.070 54.023 53.050 -0.163 0.000 0.863 1235 N CB -0.136 38.297 38.487 -0.090 0.000 0.983 1235 N HN 0.422 nan 8.380 nan 0.000 0.429 1236 E N 0.326 120.395 120.200 -0.217 0.000 2.274 1236 E HA -0.069 4.281 4.350 0.000 0.000 0.194 1236 E C 1.438 177.860 176.600 -0.297 0.000 0.996 1236 E CA 0.413 56.682 56.400 -0.218 0.000 0.840 1236 E CB 0.091 29.673 29.700 -0.196 0.000 0.772 1236 E HN 0.328 nan 8.360 nan 0.000 0.491 1237 Q N 0.352 119.892 119.800 -0.434 0.000 2.224 1237 Q HA -0.042 4.298 4.340 0.000 0.000 0.203 1237 Q C 0.329 176.149 176.000 -0.299 0.000 0.970 1237 Q CA 0.443 55.984 55.803 -0.436 0.000 0.865 1237 Q CB -0.046 28.333 28.738 -0.599 0.000 0.922 1237 Q HN 0.203 nan 8.270 nan 0.000 0.445 1238 R N -0.152 120.148 120.500 -0.332 0.000 3.333 1238 R HA -0.232 4.108 4.340 0.000 0.000 0.256 1238 R C -0.879 175.020 176.300 -0.669 0.000 1.010 1238 R CA 0.236 56.044 56.100 -0.487 0.000 0.680 1238 R CB -2.265 27.881 30.300 -0.257 0.000 1.102 1238 R HN 0.189 nan 8.270 nan 0.000 0.440 1239 Y N 0.358 120.284 120.300 -0.624 0.000 2.454 1239 Y HA 0.204 4.754 4.550 0.000 0.000 0.345 1239 Y C 0.135 175.794 175.900 -0.400 0.000 0.970 1239 Y CA -0.853 56.988 58.100 -0.431 0.000 1.204 1239 Y CB 0.324 38.621 38.460 -0.272 0.000 1.122 1239 Y HN 0.132 nan 8.280 nan 0.000 0.514 1240 Y N 4.316 124.415 120.300 -0.336 0.000 2.470 1240 Y HA 0.355 4.905 4.550 0.000 0.000 0.284 1240 Y C 1.468 177.282 175.900 -0.143 0.000 1.188 1240 Y CA 0.019 58.064 58.100 -0.092 0.000 1.269 1240 Y CB -0.254 38.254 38.460 0.081 0.000 1.094 1240 Y HN 0.887 nan 8.280 nan 0.000 0.518 1241 G N 0.107 108.408 108.800 -0.831 0.000 2.750 1241 G HA2 0.207 4.167 3.960 0.000 0.000 0.228 1241 G HA3 0.207 4.167 3.960 0.000 0.000 0.228 1241 G C 0.157 175.052 174.900 -0.008 0.000 1.367 1241 G CA -0.158 44.649 45.100 -0.488 0.000 0.871 1241 G HN 1.224 nan 8.290 nan 0.000 0.560 1242 G N -2.140 106.762 108.800 0.170 0.000 2.733 1242 G HA2 0.506 4.466 3.960 0.000 0.000 0.686 1242 G HA3 0.506 4.466 3.960 0.000 0.000 0.686 1242 G C 1.113 176.095 174.900 0.137 0.000 1.373 1242 G CA 0.639 45.863 45.100 0.208 0.000 0.838 1242 G HN 3.276 nan 8.290 nan 0.000 0.588 1243 G N -0.500 108.375 108.800 0.126 0.000 2.342 1243 G HA2 0.437 4.397 3.960 0.000 0.000 0.220 1243 G HA3 0.437 4.397 3.960 0.000 0.000 0.220 1243 G C -0.412 174.590 174.900 0.170 0.000 1.243 1243 G CA 0.171 45.352 45.100 0.135 0.000 1.083 1243 G HN 2.274 nan 8.290 nan 0.000 0.500 1244 Y N 1.732 122.070 120.300 0.063 0.000 2.327 1244 Y HA 0.462 5.012 4.550 0.000 0.000 0.336 1244 Y C 1.133 177.067 175.900 0.057 0.000 1.035 1244 Y CA 0.930 59.062 58.100 0.054 0.000 1.165 1244 Y CB 1.105 39.589 38.460 0.040 0.000 1.181 1244 Y HN 2.413 nan 8.280 nan 0.000 0.494 1245 G N 3.824 112.278 108.800 -0.576 0.000 2.295 1245 G HA2 -0.282 3.678 3.960 0.000 0.000 0.287 1245 G HA3 -0.282 3.678 3.960 0.000 0.000 0.287 1245 G C 0.248 175.086 174.900 -0.103 0.000 1.055 1245 G CA 0.660 45.504 45.100 -0.428 0.000 0.922 1245 G HN 1.280 nan 8.290 nan 0.000 0.503 1246 S N -2.006 113.698 115.700 0.008 0.000 2.651 1246 S HA 0.362 4.832 4.470 0.000 0.000 0.246 1246 S C 1.525 176.243 174.600 0.196 0.000 1.039 1246 S CA 0.835 59.127 58.200 0.154 0.000 1.013 1246 S CB 0.691 64.046 63.200 0.260 0.000 0.861 1246 S HN 0.283 nan 8.310 nan 0.000 0.485 1247 T N 2.489 117.120 114.554 0.128 0.000 2.777 1247 T HA -0.062 4.288 4.350 0.000 0.000 0.266 1247 T C 1.837 176.714 174.700 0.295 0.000 1.040 1247 T CA 1.335 63.540 62.100 0.174 0.000 1.141 1247 T CB -0.149 68.752 68.868 0.055 0.000 0.868 1247 T HN 0.352 nan 8.240 nan 0.000 0.444 1248 Q N 0.549 120.520 119.800 0.284 0.000 2.163 1248 Q HA 0.269 4.609 4.340 0.000 0.000 0.198 1248 Q C 2.586 178.826 176.000 0.401 0.000 0.954 1248 Q CA 0.950 57.002 55.803 0.414 0.000 0.851 1248 Q CB -0.513 28.484 28.738 0.432 0.000 0.928 1248 Q HN 0.537 nan 8.270 nan 0.000 0.459 1249 A N 0.309 123.318 122.820 0.315 0.000 2.121 1249 A HA -0.068 4.252 4.320 0.000 0.000 0.218 1249 A C 1.933 179.757 177.584 0.400 0.000 1.154 1249 A CA 1.549 53.742 52.037 0.260 0.000 0.679 1249 A CB -0.175 18.883 19.000 0.097 0.000 0.795 1249 A HN 0.300 nan 8.150 nan 0.000 0.458 1250 T N -2.140 112.682 114.554 0.447 0.000 3.046 1250 T HA 0.102 4.452 4.350 0.000 0.000 0.242 1250 T C 1.462 176.447 174.700 0.474 0.000 1.018 1250 T CA 0.687 63.079 62.100 0.487 0.000 1.131 1250 T CB -0.251 68.866 68.868 0.416 0.000 0.904 1250 T HN 0.429 nan 8.240 nan 0.000 0.459 1251 F N 1.555 121.684 119.950 0.299 0.000 2.325 1251 F HA 0.059 4.586 4.527 0.000 0.000 0.299 1251 F C 1.895 177.796 175.800 0.169 0.000 1.090 1251 F CA 0.918 59.067 58.000 0.248 0.000 1.392 1251 F CB -0.093 39.083 39.000 0.292 0.000 1.053 1251 F HN -0.010 nan 8.300 nan 0.000 0.521 1252 M N -1.219 118.523 119.600 0.236 0.000 2.466 1252 M HA 0.037 4.517 4.480 0.000 0.000 0.265 1252 M C 2.295 178.545 176.300 -0.084 0.000 1.122 1252 M CA 0.640 55.933 55.300 -0.011 0.000 1.157 1252 M CB -1.126 31.445 32.600 -0.049 0.000 1.352 1252 M HN 0.104 nan 8.290 nan 0.000 0.464 1253 V N -0.177 119.719 119.914 -0.029 0.000 2.667 1253 V HA -0.156 3.964 4.120 0.000 0.000 0.252 1253 V C 1.508 177.389 176.094 -0.356 0.000 1.065 1253 V CA 1.496 63.685 62.300 -0.185 0.000 1.083 1253 V CB -0.341 31.355 31.823 -0.211 0.000 0.692 1253 V HN 0.262 nan 8.190 nan 0.000 0.468 1254 F N -0.657 119.223 119.950 -0.117 0.000 2.749 1254 F HA 0.212 4.739 4.527 0.000 0.000 0.300 1254 F C 2.150 177.942 175.800 -0.013 0.000 1.103 1254 F CA 0.745 58.637 58.000 -0.180 0.000 1.342 1254 F CB 0.097 38.920 39.000 -0.294 0.000 1.098 1254 F HN 0.174 nan 8.300 nan 0.000 0.586 1255 Q N 0.207 120.010 119.800 0.005 0.000 2.250 1255 Q HA 0.034 4.374 4.340 0.000 0.000 0.200 1255 Q C 2.196 178.197 176.000 0.001 0.000 0.941 1255 Q CA 1.024 56.793 55.803 -0.057 0.000 0.872 1255 Q CB 0.094 28.647 28.738 -0.308 0.000 0.965 1255 Q HN 0.305 nan 8.270 nan 0.000 0.480 1256 A N 0.594 123.386 122.820 -0.047 0.000 1.930 1256 A HA -0.002 4.318 4.320 0.000 0.000 0.215 1256 A C 1.903 179.542 177.584 0.092 0.000 1.176 1256 A CA 0.572 52.590 52.037 -0.032 0.000 0.632 1256 A CB -0.363 18.576 19.000 -0.102 0.000 0.819 1256 A HN 0.400 nan 8.150 nan 0.000 0.445 1257 L N -0.921 120.379 121.223 0.128 0.000 2.240 1257 L HA -0.065 4.275 4.340 0.000 0.000 0.211 1257 L C 2.921 180.021 176.870 0.384 0.000 1.106 1257 L CA 0.774 55.770 54.840 0.259 0.000 0.793 1257 L CB -0.379 41.835 42.059 0.258 0.000 0.927 1257 L HN 0.436 nan 8.230 nan 0.000 0.446 1258 A N -0.385 122.653 122.820 0.363 0.000 1.898 1258 A HA -0.207 4.113 4.320 0.000 0.000 0.214 1258 A C 2.196 179.833 177.584 0.089 0.000 1.183 1258 A CA 1.173 53.303 52.037 0.154 0.000 0.622 1258 A CB -0.345 18.786 19.000 0.218 0.000 0.824 1258 A HN 0.317 nan 8.150 nan 0.000 0.444 1259 Q N -1.421 118.468 119.800 0.149 0.000 2.224 1259 Q HA -0.170 4.170 4.340 0.000 0.000 0.203 1259 Q C 1.656 177.731 176.000 0.126 0.000 0.970 1259 Q CA 1.829 57.702 55.803 0.116 0.000 0.865 1259 Q CB -0.626 28.173 28.738 0.102 0.000 0.922 1259 Q HN 0.756 nan 8.270 nan 0.000 0.445 1260 Y N 0.066 120.396 120.300 0.050 0.000 2.352 1260 Y HA -0.125 4.425 4.550 0.000 0.000 0.292 1260 Y C 1.122 177.043 175.900 0.035 0.000 1.136 1260 Y CA 0.915 59.053 58.100 0.064 0.000 1.227 1260 Y CB 0.272 38.775 38.460 0.072 0.000 0.991 1260 Y HN 0.112 nan 8.280 nan 0.000 0.545 1261 Q N 0.329 120.117 119.800 -0.021 0.000 2.997 1261 Q HA 0.222 4.562 4.340 0.000 0.000 0.214 1261 Q C 1.829 177.740 176.000 -0.149 0.000 1.153 1261 Q CA 0.959 56.678 55.803 -0.139 0.000 0.478 1261 Q CB -0.874 27.799 28.738 -0.109 0.000 5.352 1261 Q HN 0.217 nan 8.270 nan 0.000 0.337 1262 K N 0.722 121.040 120.400 -0.137 0.000 3.478 1262 K HA -0.292 4.028 4.320 0.000 0.000 0.200 1262 K C 0.553 177.078 176.600 -0.125 0.000 0.746 1262 K CA 2.435 58.652 56.287 -0.117 0.000 0.572 1262 K CB -2.459 29.986 32.500 -0.092 0.000 0.767 1262 K HN 0.740 nan 8.250 nan 0.000 0.790 1263 D N 1.694 122.025 120.400 -0.116 0.000 2.600 1263 D HA 0.540 5.181 4.640 0.000 0.000 0.226 1263 D C 0.650 176.825 176.300 -0.207 0.000 1.119 1263 D CA 0.973 54.885 54.000 -0.147 0.000 1.051 1263 D CB -0.342 40.394 40.800 -0.107 0.000 1.106 1263 D HN 0.919 nan 8.370 nan 0.000 0.491 1264 A N 3.511 126.183 122.820 -0.246 0.000 2.297 1264 A HA 0.322 4.642 4.320 0.000 0.000 0.279 1264 A C -1.730 175.638 177.584 -0.359 0.000 1.219 1264 A CA -0.828 51.008 52.037 -0.335 0.000 0.827 1264 A CB -0.585 18.252 19.000 -0.272 0.000 1.129 1264 A HN 0.462 nan 8.150 nan 0.000 0.511 1265 P HA 0.235 nan 4.420 nan 0.000 0.269 1265 P C 0.590 177.635 177.300 -0.424 0.000 1.205 1265 P CA 0.903 63.780 63.100 -0.373 0.000 0.780 1265 P CB -0.060 31.508 31.700 -0.219 0.000 0.858 1266 D N 1.000 121.112 120.400 -0.481 0.000 2.045 1266 D HA 0.099 4.739 4.640 0.000 0.000 0.280 1266 D C 0.331 176.333 176.300 -0.496 0.000 1.117 1266 D CA 0.730 54.389 54.000 -0.569 0.000 1.001 1266 D CB -0.436 40.120 40.800 -0.407 0.000 1.159 1266 D HN 0.815 nan 8.370 nan 0.000 0.477 1267 H N -3.487 115.396 119.070 -0.312 0.000 3.726 1267 H HA 0.423 4.979 4.556 0.000 0.000 0.461 1267 H C 0.138 175.201 175.328 -0.442 0.000 1.716 1267 H CA -0.300 55.510 56.048 -0.396 0.000 1.671 1267 H CB -0.253 29.130 29.762 -0.631 0.000 2.489 1267 H HN 0.536 nan 8.280 nan 0.000 0.539 1268 Q N 2.574 122.343 119.800 -0.051 0.000 1.412 1268 Q HA -0.314 4.026 4.340 0.000 0.000 0.414 1268 Q C -0.607 175.369 176.000 -0.039 0.000 0.967 1268 Q CA 2.641 58.450 55.803 0.010 0.000 0.618 1268 Q CB -0.486 28.372 28.738 0.199 0.000 4.702 1268 Q HN 1.060 nan 8.270 nan 0.000 0.613 1269 E N -0.956 119.260 120.200 0.026 0.000 2.428 1269 E HA 0.295 4.645 4.350 0.000 0.000 0.311 1269 E C -0.928 175.716 176.600 0.073 0.000 1.077 1269 E CA -0.082 56.327 56.400 0.015 0.000 0.657 1269 E CB -0.970 28.736 29.700 0.009 0.000 1.268 1269 E HN 0.380 nan 8.360 nan 0.000 0.407 1270 L N 2.328 123.640 121.223 0.149 0.000 2.389 1270 L HA 0.342 4.682 4.340 0.000 0.000 0.265 1270 L C 0.217 177.115 176.870 0.047 0.000 1.167 1270 L CA -0.448 54.466 54.840 0.124 0.000 1.045 1270 L CB -0.040 42.133 42.059 0.190 0.000 1.351 1270 L HN 0.353 nan 8.230 nan 0.000 0.419 1271 N N 3.415 122.107 118.700 -0.013 0.000 2.806 1271 N HA 0.288 5.028 4.740 0.000 0.000 0.315 1271 N C -0.774 174.654 175.510 -0.136 0.000 1.738 1271 N CA -0.213 52.772 53.050 -0.108 0.000 0.993 1271 N CB 0.341 38.823 38.487 -0.008 0.000 1.324 1271 N HN 0.401 nan 8.380 nan 0.000 0.493 1272 L N 0.177 121.309 121.223 -0.152 0.000 2.292 1272 L HA 0.356 4.696 4.340 0.000 0.000 0.284 1272 L C 0.070 176.871 176.870 -0.115 0.000 1.065 1272 L CA -0.506 54.278 54.840 -0.094 0.000 0.806 1272 L CB 1.106 43.135 42.059 -0.050 0.000 1.175 1272 L HN 0.107 nan 8.230 nan 0.000 0.431 1273 D N 3.030 123.395 120.400 -0.058 0.000 2.434 1273 D HA 0.257 4.897 4.640 0.000 0.000 0.275 1273 D C -0.776 175.527 176.300 0.005 0.000 1.172 1273 D CA -0.289 53.694 54.000 -0.029 0.000 0.916 1273 D CB 1.100 41.889 40.800 -0.017 0.000 1.041 1273 D HN 0.012 nan 8.370 nan 0.000 0.501 1274 V N 2.449 122.377 119.914 0.024 0.000 2.546 1274 V HA 0.447 4.567 4.120 0.000 0.000 0.284 1274 V C 0.644 176.775 176.094 0.062 0.000 1.050 1274 V CA -0.422 61.905 62.300 0.045 0.000 0.981 1274 V CB 1.309 33.165 31.823 0.054 0.000 0.990 1274 V HN 0.621 nan 8.190 nan 0.000 0.474 1275 S N 5.681 121.417 115.700 0.059 0.000 2.536 1275 S HA 0.849 5.319 4.470 0.000 0.000 0.298 1275 S C -1.049 173.600 174.600 0.081 0.000 1.083 1275 S CA -0.866 57.369 58.200 0.059 0.000 0.995 1275 S CB 1.650 64.873 63.200 0.038 0.000 1.058 1275 S HN 0.467 nan 8.310 nan 0.000 0.488 1276 L N 1.892 123.162 121.223 0.078 0.000 2.381 1276 L HA 0.552 4.892 4.340 0.000 0.000 0.274 1276 L C -0.372 176.535 176.870 0.061 0.000 0.988 1276 L CA -0.422 54.472 54.840 0.089 0.000 0.824 1276 L CB 1.972 44.062 42.059 0.051 0.000 1.263 1276 L HN 0.796 nan 8.230 nan 0.000 0.410 1277 Q N 3.967 123.827 119.800 0.101 0.000 2.523 1277 Q HA 0.473 4.813 4.340 0.000 0.000 0.251 1277 Q C -1.556 174.506 176.000 0.103 0.000 1.033 1277 Q CA -0.699 55.149 55.803 0.076 0.000 0.746 1277 Q CB 1.050 29.831 28.738 0.072 0.000 1.189 1277 Q HN 0.515 nan 8.270 nan 0.000 0.508 1278 L N 4.339 125.576 121.223 0.025 0.000 2.375 1278 L HA 0.440 4.780 4.340 0.000 0.000 0.268 1278 L C -1.555 175.329 176.870 0.025 0.000 1.058 1278 L CA -2.018 52.831 54.840 0.015 0.000 0.803 1278 L CB 0.528 42.489 42.059 -0.163 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 1.355 178.660 177.300 0.008 0.000 1.144 1279 P CA 1.305 64.423 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 -0.312 115.383 115.700 -0.008 0.000 2.465 1280 S HA -0.213 4.257 4.470 0.000 0.000 0.241 1280 S C 1.276 175.870 174.600 -0.009 0.000 1.000 1280 S CA 0.103 58.294 58.200 -0.015 0.000 0.964 1280 S CB -1.131 62.051 63.200 -0.031 0.000 0.763 1280 S HN 0.128 nan 8.310 nan 0.000 0.512 1281 R N 1.969 122.467 120.500 -0.004 0.000 2.897 1281 R HA -0.177 4.163 4.340 0.000 0.000 0.149 1281 R C 0.165 176.464 176.300 -0.002 0.000 0.362 1281 R CA 0.945 57.045 56.100 0.001 0.000 0.555 1281 R CB -1.056 29.250 30.300 0.009 0.000 1.533 1281 R HN 0.711 nan 8.270 nan 0.000 0.507 1282 S N -0.660 115.037 115.700 -0.005 0.000 2.628 1282 S HA 0.066 4.536 4.470 0.000 0.000 0.246 1282 S C 0.875 175.471 174.600 -0.006 0.000 1.062 1282 S CA 0.137 58.334 58.200 -0.005 0.000 1.028 1282 S CB 0.604 63.800 63.200 -0.007 0.000 0.985 1282 S HN 0.600 nan 8.310 nan 0.000 0.551 1283 S N 0.574 116.269 115.700 -0.008 0.000 3.756 1283 S HA 0.727 5.197 4.470 0.000 0.000 0.183 1283 S C -0.761 173.833 174.600 -0.010 0.000 1.093 1283 S CA -0.362 57.833 58.200 -0.010 0.000 1.303 1283 S CB 0.753 63.946 63.200 -0.013 0.000 1.593 1283 S HN 0.137 nan 8.310 nan 0.000 0.841 1284 K N -0.268 120.124 120.400 -0.014 0.000 2.735 1284 K HA 0.571 4.891 4.320 0.000 0.000 0.295 1284 K C -2.132 174.454 176.600 -0.023 0.000 1.052 1284 K CA -0.341 55.938 56.287 -0.014 0.000 0.853 1284 K CB 1.447 33.939 32.500 -0.015 0.000 1.535 1284 K HN 0.650 nan 8.250 nan 0.000 0.383 1285 I N 0.968 121.526 120.570 -0.021 0.000 2.644 1285 I HA 0.364 4.534 4.170 0.000 0.000 0.291 1285 I C -1.053 175.042 176.117 -0.037 0.000 1.180 1285 I CA -0.527 60.755 61.300 -0.030 0.000 1.040 1285 I CB 2.586 40.597 38.000 0.018 0.000 1.255 1285 I HN 0.381 nan 8.210 nan 0.000 0.422 1286 T N 3.601 118.075 114.554 -0.132 0.000 3.483 1286 T HA 0.358 4.708 4.350 0.000 0.000 0.329 1286 T C -1.096 173.452 174.700 -0.253 0.000 1.014 1286 T CA -0.631 61.406 62.100 -0.106 0.000 1.056 1286 T CB 0.768 69.594 68.868 -0.069 0.000 1.090 1286 T HN 0.411 nan 8.240 nan 0.000 0.460 1287 H N 2.804 121.879 119.070 0.009 0.000 2.529 1287 H HA 0.483 5.039 4.556 0.000 0.000 0.348 1287 H C 0.051 175.383 175.328 0.006 0.000 1.079 1287 H CA -0.821 55.234 56.048 0.011 0.000 1.198 1287 H CB 2.032 31.797 29.762 0.005 0.000 1.521 1287 H HN 0.562 nan 8.280 nan 0.000 0.514 1288 R N 2.865 123.438 120.500 0.123 0.000 2.338 1288 R HA 0.426 4.766 4.340 0.000 0.000 0.317 1288 R C -0.805 175.516 176.300 0.036 0.000 0.968 1288 R CA -0.744 55.383 56.100 0.045 0.000 0.849 1288 R CB 1.206 31.566 30.300 0.100 0.000 1.128 1288 R HN 0.345 nan 8.270 nan 0.000 0.448 1289 I N 5.333 125.859 120.570 -0.074 0.000 2.395 1289 I HA 0.212 4.382 4.170 0.000 0.000 0.282 1289 I C 0.396 176.453 176.117 -0.098 0.000 1.107 1289 I CA -0.452 60.823 61.300 -0.042 0.000 1.210 1289 I CB -0.266 37.716 38.000 -0.030 0.000 1.456 1289 I HN 0.633 nan 8.210 nan 0.000 0.504 1290 H N 3.313 122.412 119.070 0.047 0.000 2.534 1290 H HA 0.060 4.616 4.556 0.000 0.000 0.364 1290 H C 0.689 176.077 175.328 0.100 0.000 1.328 1290 H CA -0.276 55.819 56.048 0.079 0.000 1.415 1290 H CB 1.525 31.331 29.762 0.073 0.000 1.573 1290 H HN 0.548 nan 8.280 nan 0.000 0.601 1291 W N 1.801 123.153 121.300 0.085 0.000 1.011 1291 W HA -0.271 4.389 4.660 0.000 0.000 0.252 1291 W C 1.567 178.086 176.519 -0.001 0.000 0.657 1291 W CA 1.576 58.917 57.345 -0.007 0.000 0.871 1291 W CB -0.179 29.229 29.460 -0.086 0.000 0.937 1291 W HN 0.829 nan 8.180 nan 0.000 0.568 1292 E N 0.735 120.740 120.200 -0.324 0.000 2.786 1292 E HA -0.460 3.890 4.350 0.000 0.000 0.237 1292 E C 1.803 178.224 176.600 -0.298 0.000 0.950 1292 E CA 3.299 59.507 56.400 -0.321 0.000 1.380 1292 E CB -1.960 27.744 29.700 0.006 0.000 1.351 1292 E HN 0.436 nan 8.360 nan 0.000 0.484 1293 S N 2.574 118.200 115.700 -0.124 0.000 2.354 1293 S HA -0.042 4.428 4.470 0.000 0.000 0.219 1293 S C 2.052 176.571 174.600 -0.134 0.000 1.035 1293 S CA 3.179 61.321 58.200 -0.095 0.000 1.037 1293 S CB -1.058 62.132 63.200 -0.018 0.000 0.956 1293 S HN 1.287 nan 8.310 nan 0.000 0.428 1294 A N 2.087 124.850 122.820 -0.095 0.000 4.529 1294 A HA -0.414 3.906 4.320 0.000 0.000 0.369 1294 A C 2.287 179.814 177.584 -0.096 0.000 1.648 1294 A CA 4.192 56.169 52.037 -0.101 0.000 0.786 1294 A CB -2.525 16.358 19.000 -0.195 0.000 1.518 1294 A HN 1.682 nan 8.150 nan 0.000 0.515 1295 S N -0.082 115.535 115.700 -0.138 0.000 2.434 1295 S HA -0.124 4.346 4.470 0.000 0.000 0.243 1295 S C 0.899 175.455 174.600 -0.073 0.000 1.045 1295 S CA 1.538 59.676 58.200 -0.104 0.000 1.019 1295 S CB -1.004 62.122 63.200 -0.123 0.000 0.811 1295 S HN 1.835 nan 8.310 nan 0.000 0.485 1296 L N 2.159 123.340 121.223 -0.070 0.000 2.776 1296 L HA 0.058 4.398 4.340 0.000 0.000 0.283 1296 L C -0.590 176.252 176.870 -0.046 0.000 1.194 1296 L CA 0.396 55.207 54.840 -0.050 0.000 0.947 1296 L CB -0.343 41.695 42.059 -0.035 0.000 1.255 1296 L HN 0.239 nan 8.230 nan 0.000 0.481 1297 L N 6.896 128.092 121.223 -0.046 0.000 2.385 1297 L HA 0.321 4.661 4.340 0.000 0.000 0.285 1297 L C 0.565 177.395 176.870 -0.066 0.000 1.125 1297 L CA 0.399 55.209 54.840 -0.050 0.000 0.890 1297 L CB 0.057 42.090 42.059 -0.042 0.000 1.251 1297 L HN 0.515 nan 8.230 nan 0.000 0.445 1298 R N 1.743 122.188 120.500 -0.091 0.000 2.340 1298 R HA 0.559 4.899 4.340 0.000 0.000 0.300 1298 R C 0.054 176.247 176.300 -0.178 0.000 1.069 1298 R CA -0.196 55.805 56.100 -0.164 0.000 0.984 1298 R CB 0.976 31.128 30.300 -0.248 0.000 1.003 1298 R HN 0.691 nan 8.270 nan 0.000 0.459 1299 S N 1.568 117.163 115.700 -0.176 0.000 2.570 1299 S HA 0.572 5.042 4.470 0.000 0.000 0.286 1299 S C -0.827 173.690 174.600 -0.138 0.000 1.099 1299 S CA -1.132 56.991 58.200 -0.129 0.000 0.913 1299 S CB 2.666 65.821 63.200 -0.075 0.000 1.085 1299 S HN 0.377 nan 8.310 nan 0.000 0.480 1300 E N 0.841 120.978 120.200 -0.105 0.000 2.314 1300 E HA 0.572 4.922 4.350 0.000 0.000 0.272 1300 E C -1.409 175.145 176.600 -0.076 0.000 0.884 1300 E CA -0.536 55.811 56.400 -0.089 0.000 0.753 1300 E CB 2.215 31.856 29.700 -0.098 0.000 1.213 1300 E HN 0.742 nan 8.360 nan 0.000 0.432 1301 E N 0.400 120.563 120.200 -0.061 0.000 2.222 1301 E HA 0.550 4.900 4.350 0.000 0.000 0.267 1301 E C -0.963 175.603 176.600 -0.056 0.000 0.884 1301 E CA -0.759 55.612 56.400 -0.050 0.000 0.764 1301 E CB 1.932 31.615 29.700 -0.028 0.000 1.169 1301 E HN 0.409 nan 8.360 nan 0.000 0.413 1302 T N -1.082 113.439 114.554 -0.055 0.000 2.937 1302 T HA 0.369 4.719 4.350 0.000 0.000 0.297 1302 T C 0.221 174.908 174.700 -0.021 0.000 0.991 1302 T CA -1.070 60.999 62.100 -0.051 0.000 0.990 1302 T CB 1.126 69.941 68.868 -0.089 0.000 0.991 1302 T HN 0.342 nan 8.240 nan 0.000 0.440 1303 K N 1.081 121.475 120.400 -0.010 0.000 2.555 1303 K HA 0.077 4.397 4.320 0.000 0.000 0.193 1303 K C 0.611 177.216 176.600 0.009 0.000 1.032 1303 K CA 0.461 56.752 56.287 0.006 0.000 1.004 1303 K CB 0.282 32.788 32.500 0.009 0.000 0.804 1303 K HN 0.697 nan 8.250 nan 0.000 0.496 1304 E N 1.209 121.410 120.200 0.001 0.000 2.238 1304 E HA 0.098 4.448 4.350 0.000 0.000 0.267 1304 E C -1.308 175.299 176.600 0.011 0.000 0.887 1304 E CA -0.809 55.594 56.400 0.006 0.000 0.769 1304 E CB 1.070 30.771 29.700 0.002 0.000 1.187 1304 E HN -0.104 nan 8.360 nan 0.000 0.416 1305 N N 3.692 122.401 118.700 0.015 0.000 2.415 1305 N HA 0.045 4.785 4.740 0.000 0.000 0.250 1305 N C -1.168 174.370 175.510 0.046 0.000 1.127 1305 N CA 0.215 53.281 53.050 0.026 0.000 0.945 1305 N CB 0.467 38.951 38.487 -0.004 0.000 1.196 1305 N HN 0.357 nan 8.380 nan 0.000 0.499 1306 E N 1.215 121.472 120.200 0.095 0.000 2.281 1306 E HA 0.506 4.856 4.350 0.000 0.000 0.262 1306 E C -0.288 176.441 176.600 0.214 0.000 0.933 1306 E CA -1.057 55.419 56.400 0.127 0.000 0.809 1306 E CB 1.587 31.355 29.700 0.113 0.000 1.242 1306 E HN 0.565 nan 8.360 nan 0.000 0.418 1307 G N 1.621 110.515 108.800 0.156 0.000 2.547 1307 G HA2 0.512 4.472 3.960 0.000 0.000 0.327 1307 G HA3 0.512 4.472 3.960 0.000 0.000 0.327 1307 G C -0.524 174.457 174.900 0.134 0.000 1.118 1307 G CA -0.443 44.709 45.100 0.087 0.000 1.022 1307 G HN 0.283 nan 8.290 nan 0.000 0.464 1308 F N 0.441 120.389 119.950 -0.004 0.000 2.611 1308 F HA 0.911 5.438 4.527 0.000 0.000 0.374 1308 F C -0.030 175.770 175.800 0.000 0.000 1.110 1308 F CA -1.243 56.757 58.000 -0.000 0.000 1.090 1308 F CB 1.504 40.505 39.000 0.002 0.000 1.388 1308 F HN 0.187 nan 8.300 nan 0.000 0.501 1309 T N 1.057 115.700 114.554 0.148 0.000 2.886 1309 T HA 0.579 4.929 4.350 0.000 0.000 0.292 1309 T C -1.137 173.643 174.700 0.134 0.000 1.012 1309 T CA -0.600 61.520 62.100 0.032 0.000 0.982 1309 T CB 1.897 70.781 68.868 0.026 0.000 1.018 1309 T HN 0.555 nan 8.240 nan 0.000 0.451 1310 V N 2.784 122.742 119.914 0.072 0.000 2.483 1310 V HA 0.643 4.763 4.120 0.000 0.000 0.295 1310 V C 0.016 176.143 176.094 0.056 0.000 1.035 1310 V CA -0.617 61.745 62.300 0.104 0.000 0.896 1310 V CB 1.936 33.822 31.823 0.105 0.000 0.986 1310 V HN 1.006 nan 8.190 nan 0.000 0.447 1311 T N 4.011 118.599 114.554 0.058 0.000 2.864 1311 T HA 0.690 5.040 4.350 0.000 0.000 0.299 1311 T C -0.033 174.687 174.700 0.033 0.000 1.011 1311 T CA -0.209 61.913 62.100 0.037 0.000 0.975 1311 T CB 1.424 70.312 68.868 0.033 0.000 0.962 1311 T HN 0.933 nan 8.240 nan 0.000 0.448 1312 A N 2.946 125.781 122.820 0.024 0.000 2.269 1312 A HA 0.904 5.224 4.320 0.000 0.000 0.319 1312 A C -0.158 177.433 177.584 0.012 0.000 1.110 1312 A CA -0.618 51.430 52.037 0.018 0.000 0.847 1312 A CB 1.025 20.035 19.000 0.015 0.000 1.161 1312 A HN 0.798 nan 8.150 nan 0.000 0.497 1313 E N -0.600 119.604 120.200 0.006 0.000 2.378 1313 E HA 0.487 4.837 4.350 0.000 0.000 0.283 1313 E C -0.393 176.204 176.600 -0.005 0.000 0.979 1313 E CA 0.094 56.496 56.400 0.003 0.000 0.795 1313 E CB 1.570 31.274 29.700 0.006 0.000 1.221 1313 E HN 2.250 nan 8.360 nan 0.000 0.428 1314 G N 2.322 111.122 108.800 -0.001 0.000 2.498 1314 G HA2 -0.106 3.854 3.960 0.000 0.000 0.651 1314 G HA3 -0.106 3.854 3.960 0.000 0.000 0.651 1314 G C -1.252 173.649 174.900 0.001 0.000 1.284 1314 G CA -0.485 44.613 45.100 -0.003 0.000 0.950 1314 G HN 0.487 nan 8.290 nan 0.000 0.511 1315 K N -0.016 120.386 120.400 0.004 0.000 2.098 1315 K HA 0.762 5.082 4.320 0.000 0.000 0.244 1315 K C 0.786 177.395 176.600 0.014 0.000 1.014 1315 K CA 0.934 57.229 56.287 0.013 0.000 0.917 1315 K CB 0.875 33.386 32.500 0.018 0.000 1.072 1315 K HN 2.443 nan 8.250 nan 0.000 0.477 1316 G N -0.037 108.778 108.800 0.026 0.000 2.619 1316 G HA2 -0.096 3.864 3.960 0.000 0.000 0.686 1316 G HA3 -0.096 3.864 3.960 0.000 0.000 0.686 1316 G C -1.567 173.350 174.900 0.028 0.000 1.256 1316 G CA -0.850 44.271 45.100 0.036 0.000 0.826 1316 G HN 0.522 nan 8.290 nan 0.000 0.619 1317 Q N -0.146 119.674 119.800 0.034 0.000 2.321 1317 Q HA 0.670 5.010 4.340 0.000 0.000 0.270 1317 Q C 0.277 176.290 176.000 0.021 0.000 1.032 1317 Q CA -0.170 55.648 55.803 0.025 0.000 0.784 1317 Q CB 1.662 30.417 28.738 0.028 0.000 1.264 1317 Q HN 1.544 nan 8.270 nan 0.000 0.448 1318 G N 1.101 109.909 108.800 0.013 0.000 2.949 1318 G HA2 0.708 4.668 3.960 0.000 0.000 0.285 1318 G HA3 0.708 4.668 3.960 0.000 0.000 0.285 1318 G C -1.258 173.646 174.900 0.007 0.000 1.395 1318 G CA -0.461 44.643 45.100 0.008 0.000 0.901 1318 G HN 0.479 nan 8.290 nan 0.000 0.519 1319 T N 0.025 114.581 114.554 0.004 0.000 2.893 1319 T HA 0.526 4.876 4.350 0.000 0.000 0.293 1319 T C -1.440 173.264 174.700 0.006 0.000 1.027 1319 T CA -0.301 61.802 62.100 0.004 0.000 0.988 1319 T CB 1.818 70.687 68.868 0.002 0.000 1.043 1319 T HN 0.476 nan 8.240 nan 0.000 0.461 1320 L N 3.732 124.961 121.223 0.010 0.000 2.342 1320 L HA 0.694 5.034 4.340 0.000 0.000 0.276 1320 L C -0.436 176.445 176.870 0.018 0.000 0.997 1320 L CA -0.290 54.560 54.840 0.018 0.000 0.838 1320 L CB 1.256 43.330 42.059 0.026 0.000 1.224 1320 L HN 0.719 nan 8.230 nan 0.000 0.416 1321 S N 4.168 119.880 115.700 0.020 0.000 2.596 1321 S HA 0.820 5.290 4.470 0.000 0.000 0.318 1321 S C -0.779 173.842 174.600 0.035 0.000 1.097 1321 S CA -0.706 57.507 58.200 0.021 0.000 1.080 1321 S CB 1.464 64.672 63.200 0.012 0.000 0.991 1321 S HN 0.335 nan 8.310 nan 0.000 0.471 1322 V N 3.737 123.679 119.914 0.046 0.000 2.417 1322 V HA 0.644 4.764 4.120 0.000 0.000 0.291 1322 V C -0.510 175.617 176.094 0.055 0.000 1.024 1322 V CA -0.573 61.770 62.300 0.070 0.000 0.861 1322 V CB 1.481 33.376 31.823 0.121 0.000 0.985 1322 V HN 0.857 nan 8.190 nan 0.000 0.436 1323 V N 3.611 123.557 119.914 0.053 0.000 2.709 1323 V HA 0.641 4.761 4.120 0.000 0.000 0.308 1323 V C 0.080 176.209 176.094 0.058 0.000 1.062 1323 V CA -0.562 61.767 62.300 0.049 0.000 0.901 1323 V CB 2.535 34.379 31.823 0.035 0.000 1.003 1323 V HN 0.978 nan 8.190 nan 0.000 0.425 1324 T N 1.878 116.476 114.554 0.073 0.000 2.895 1324 T HA 0.803 5.153 4.350 0.000 0.000 0.283 1324 T C -0.528 174.253 174.700 0.136 0.000 1.014 1324 T CA -0.649 61.506 62.100 0.092 0.000 1.037 1324 T CB 1.911 70.825 68.868 0.077 0.000 1.006 1324 T HN 0.614 nan 8.240 nan 0.000 0.468 1325 M N 3.488 123.167 119.600 0.131 0.000 2.259 1325 M HA 0.596 5.076 4.480 0.000 0.000 0.304 1325 M C -1.913 174.479 176.300 0.153 0.000 1.019 1325 M CA -0.852 54.508 55.300 0.100 0.000 0.922 1325 M CB 1.318 33.923 32.600 0.009 0.000 1.600 1325 M HN 0.997 nan 8.290 nan 0.000 0.433 1326 Y N 0.640 120.881 120.300 -0.099 0.000 2.840 1326 Y HA 0.527 5.077 4.550 0.000 0.000 0.324 1326 Y C -1.491 174.293 175.900 -0.193 0.000 1.378 1326 Y CA -1.245 56.795 58.100 -0.100 0.000 1.077 1326 Y CB 1.107 39.562 38.460 -0.007 0.000 1.361 1326 Y HN 0.508 nan 8.280 nan 0.000 0.459 1327 H N 1.690 120.760 119.070 -0.000 0.000 2.685 1327 H HA 0.628 5.184 4.556 0.000 0.000 0.286 1327 H C -0.200 175.089 175.328 -0.064 0.000 1.102 1327 H CA -0.134 55.853 56.048 -0.101 0.000 1.254 1327 H CB 1.046 30.817 29.762 0.014 0.000 1.397 1327 H HN 0.876 nan 8.280 nan 0.000 0.473 1328 A N 3.630 126.293 122.820 -0.262 0.000 2.346 1328 A HA 0.125 4.445 4.320 0.000 0.000 0.252 1328 A C 0.636 178.265 177.584 0.075 0.000 1.089 1328 A CA -0.523 51.504 52.037 -0.017 0.000 0.797 1328 A CB 0.488 19.394 19.000 -0.157 0.000 1.047 1328 A HN 0.669 nan 8.150 nan 0.000 0.494 1329 K N 1.446 121.913 120.400 0.112 0.000 2.250 1329 K HA 0.434 4.754 4.320 0.000 0.000 0.285 1329 K C -0.039 176.591 176.600 0.049 0.000 1.097 1329 K CA -0.067 56.266 56.287 0.077 0.000 0.913 1329 K CB 0.174 32.720 32.500 0.077 0.000 1.179 1329 K HN 0.730 nan 8.250 nan 0.000 0.462 1330 A N 4.454 127.296 122.820 0.036 0.000 2.388 1330 A HA 0.173 4.493 4.320 0.000 0.000 0.257 1330 A C -0.179 177.420 177.584 0.026 0.000 1.095 1330 A CA -0.397 51.656 52.037 0.026 0.000 0.791 1330 A CB 0.310 19.323 19.000 0.022 0.000 1.029 1330 A HN 0.810 nan 8.150 nan 0.000 0.489 1331 K N 1.867 122.280 120.400 0.023 0.000 3.006 1331 K HA 0.141 4.461 4.320 0.000 0.000 0.262 1331 K C -0.771 175.841 176.600 0.020 0.000 1.289 1331 K CA -0.059 56.241 56.287 0.021 0.000 1.245 1331 K CB -0.161 32.351 32.500 0.020 0.000 1.614 1331 K HN 0.685 nan 8.250 nan 0.000 0.322 1332 D N 0.661 121.073 120.400 0.021 0.000 2.811 1332 D HA -0.254 4.386 4.640 0.000 0.000 0.231 1332 D C 0.119 176.431 176.300 0.020 0.000 1.157 1332 D CA 0.925 54.937 54.000 0.020 0.000 0.716 1332 D CB -1.213 39.599 40.800 0.020 0.000 1.077 1332 D HN 0.588 nan 8.370 nan 0.000 0.428 1333 Q N 0.114 119.925 119.800 0.019 0.000 2.326 1333 Q HA -0.012 4.328 4.340 0.000 0.000 0.314 1333 Q C 0.208 176.219 176.000 0.019 0.000 1.091 1333 Q CA -0.345 55.468 55.803 0.016 0.000 0.974 1333 Q CB 0.432 29.179 28.738 0.014 0.000 1.220 1333 Q HN 0.175 nan 8.270 nan 0.000 0.398 1334 L N 5.243 126.476 121.223 0.016 0.000 2.771 1334 L HA -0.099 4.241 4.340 0.000 0.000 0.278 1334 L C 1.199 178.084 176.870 0.025 0.000 1.175 1334 L CA 1.474 56.326 54.840 0.020 0.000 0.973 1334 L CB -0.268 41.798 42.059 0.013 0.000 1.286 1334 L HN 1.015 nan 8.230 nan 0.000 0.481 1335 T N -0.335 114.238 114.554 0.031 0.000 3.085 1335 T HA -0.060 4.290 4.350 0.000 0.000 0.263 1335 T C 1.753 176.479 174.700 0.043 0.000 1.127 1335 T CA 0.622 62.743 62.100 0.035 0.000 1.103 1335 T CB -0.143 68.748 68.868 0.038 0.000 0.921 1335 T HN 0.692 nan 8.240 nan 0.000 0.510 1336 c N 1.557 120.187 118.600 0.049 0.000 2.611 1336 c HA 0.191 4.761 4.570 0.000 0.000 0.283 1336 c C 0.730 174.863 174.090 0.071 0.000 1.340 1336 c CA -0.131 56.243 56.329 0.075 0.000 1.716 1336 c CB -1.097 41.465 42.510 0.086 0.000 2.134 1336 c HN 0.850 nan 8.230 nan 0.000 0.526 1337 N N 1.545 120.263 118.700 0.029 0.000 2.752 1337 N HA -0.241 4.499 4.740 0.000 0.000 0.308 1337 N C -0.232 175.238 175.510 -0.066 0.000 1.201 1337 N CA 1.286 54.323 53.050 -0.021 0.000 0.717 1337 N CB -0.986 37.489 38.487 -0.019 0.000 1.028 1337 N HN 0.824 nan 8.380 nan 0.000 0.558 1338 K N -1.518 118.764 120.400 -0.197 0.000 3.368 1338 K HA -0.069 4.251 4.320 0.000 0.000 0.225 1338 K C -1.108 175.099 176.600 -0.655 0.000 1.163 1338 K CA 0.495 56.459 56.287 -0.539 0.000 0.910 1338 K CB -1.215 31.077 32.500 -0.347 0.000 1.663 1338 K HN 0.438 nan 8.250 nan 0.000 0.611 1339 F N 1.000 120.884 119.950 -0.109 0.000 2.623 1339 F HA 0.310 4.837 4.527 0.000 0.000 0.323 1339 F C -0.884 174.918 175.800 0.004 0.000 1.158 1339 F CA -1.038 56.962 58.000 -0.001 0.000 1.030 1339 F CB 1.701 40.736 39.000 0.060 0.000 1.280 1339 F HN -0.224 nan 8.300 nan 0.000 0.474 1340 D N 3.107 123.623 120.400 0.194 0.000 2.198 1340 D HA 0.688 5.328 4.640 0.000 0.000 0.247 1340 D C -1.330 175.054 176.300 0.140 0.000 1.010 1340 D CA -0.258 53.818 54.000 0.126 0.000 0.880 1340 D CB 2.522 43.364 40.800 0.069 0.000 1.209 1340 D HN 0.333 nan 8.370 nan 0.000 0.451 1341 L N 1.429 122.706 121.223 0.090 0.000 2.562 1341 L HA 0.374 4.714 4.340 0.000 0.000 0.266 1341 L C -1.724 175.170 176.870 0.040 0.000 0.949 1341 L CA -0.490 54.389 54.840 0.065 0.000 0.879 1341 L CB 1.619 43.707 42.059 0.048 0.000 1.278 1341 L HN 0.149 nan 8.230 nan 0.000 0.404 1342 K N 3.982 124.398 120.400 0.027 0.000 2.450 1342 K HA 0.764 5.084 4.320 0.000 0.000 0.257 1342 K C -1.270 175.325 176.600 -0.007 0.000 0.953 1342 K CA -0.411 55.886 56.287 0.016 0.000 0.844 1342 K CB 2.368 34.877 32.500 0.014 0.000 1.103 1342 K HN 0.309 nan 8.250 nan 0.000 0.429 1343 V N 2.685 122.596 119.914 -0.004 0.000 2.435 1343 V HA 0.527 4.647 4.120 0.000 0.000 0.290 1343 V C -0.370 175.694 176.094 -0.049 0.000 1.030 1343 V CA -0.601 61.669 62.300 -0.050 0.000 0.881 1343 V CB 1.830 33.641 31.823 -0.022 0.000 0.983 1343 V HN 0.783 nan 8.190 nan 0.000 0.445 1344 T N 5.537 120.018 114.554 -0.122 0.000 2.876 1344 T HA 0.668 5.018 4.350 0.000 0.000 0.289 1344 T C -0.888 173.705 174.700 -0.179 0.000 1.014 1344 T CA -0.293 61.746 62.100 -0.102 0.000 0.986 1344 T CB 1.890 70.709 68.868 -0.083 0.000 1.021 1344 T HN 0.480 nan 8.240 nan 0.000 0.458 1345 I N 2.914 123.413 120.570 -0.118 0.000 2.439 1345 I HA 0.500 4.670 4.170 0.000 0.000 0.283 1345 I C -1.059 174.991 176.117 -0.111 0.000 1.023 1345 I CA -0.478 60.731 61.300 -0.151 0.000 1.100 1345 I CB 0.668 38.623 38.000 -0.074 0.000 1.238 1345 I HN 0.467 nan 8.210 nan 0.000 0.445 1346 K N 7.585 127.906 120.400 -0.131 0.000 2.375 1346 K HA 0.645 4.965 4.320 0.000 0.000 0.249 1346 K C -2.681 173.863 176.600 -0.094 0.000 0.942 1346 K CA -1.849 54.383 56.287 -0.093 0.000 0.806 1346 K CB 1.613 34.066 32.500 -0.079 0.000 1.227 1346 K HN 0.257 nan 8.250 nan 0.000 0.430 1347 P HA -0.004 nan 4.420 nan 0.000 0.269 1347 P C -0.977 176.296 177.300 -0.045 0.000 1.209 1347 P CA -0.119 62.953 63.100 -0.047 0.000 0.776 1347 P CB 0.639 32.324 31.700 -0.025 0.000 0.876 1348 A N 4.322 127.120 122.820 -0.038 0.000 2.332 1348 A HA 0.489 4.809 4.320 0.000 0.000 0.258 1348 A C -1.579 175.997 177.584 -0.012 0.000 1.087 1348 A CA -0.789 51.229 52.037 -0.032 0.000 0.802 1348 A CB -1.547 17.436 19.000 -0.029 0.000 1.042 1348 A HN 0.469 nan 8.150 nan 0.000 0.489 1360 N N 1.671 120.407 118.700 0.060 0.000 2.166 1360 N HA -0.093 4.647 4.740 0.000 0.000 0.186 1360 N C -0.162 175.411 175.510 0.105 0.000 1.019 1360 N CA 1.900 55.004 53.050 0.090 0.000 0.856 1360 N CB -0.567 38.002 38.487 0.136 0.000 0.993 1360 N HN 0.534 nan 8.380 nan 0.000 0.426 1361 T N 0.655 115.290 114.554 0.136 0.000 0.626 1361 T HA -0.255 4.095 4.350 0.000 0.000 0.764 1361 T C -0.126 174.569 174.700 -0.009 0.000 0.991 1361 T CA 0.581 62.704 62.100 0.038 0.000 4.028 1361 T CB -0.768 68.111 68.868 0.018 0.000 2.274 1361 T HN 0.118 nan 8.240 nan 0.000 0.391 1362 M N 4.490 124.060 119.600 -0.050 0.000 2.852 1362 M HA 0.686 5.166 4.480 0.000 0.000 0.301 1362 M C 0.059 176.242 176.300 -0.195 0.000 1.229 1362 M CA -1.168 54.058 55.300 -0.123 0.000 0.832 1362 M CB 1.884 34.380 32.600 -0.174 0.000 1.726 1362 M HN 0.473 nan 8.290 nan 0.000 0.497 1363 I N 1.721 122.163 120.570 -0.214 0.000 2.465 1363 I HA 0.359 4.529 4.170 0.000 0.000 0.291 1363 I C -1.402 174.493 176.117 -0.370 0.000 1.014 1363 I CA -0.879 60.261 61.300 -0.266 0.000 1.093 1363 I CB 1.972 39.861 38.000 -0.185 0.000 1.267 1363 I HN 0.348 nan 8.210 nan 0.000 0.431 1364 L N 6.914 127.796 121.223 -0.570 0.000 2.276 1364 L HA 0.444 4.784 4.340 0.000 0.000 0.286 1364 L C -0.333 176.180 176.870 -0.596 0.000 1.024 1364 L CA 0.059 54.475 54.840 -0.707 0.000 0.826 1364 L CB 1.088 42.528 42.059 -1.032 0.000 1.211 1364 L HN 0.585 nan 8.230 nan 0.000 0.422 1365 E N 5.334 125.303 120.200 -0.384 0.000 2.171 1365 E HA 0.528 4.878 4.350 0.000 0.000 0.271 1365 E C -1.356 175.133 176.600 -0.185 0.000 0.916 1365 E CA -0.559 55.700 56.400 -0.235 0.000 0.774 1365 E CB 1.203 30.810 29.700 -0.156 0.000 1.128 1365 E HN 0.659 nan 8.360 nan 0.000 0.403 1366 I N 4.332 124.837 120.570 -0.108 0.000 2.418 1366 I HA 0.364 4.534 4.170 0.000 0.000 0.287 1366 I C -0.846 175.261 176.117 -0.016 0.000 1.008 1366 I CA -0.877 60.387 61.300 -0.061 0.000 1.104 1366 I CB 1.610 39.594 38.000 -0.027 0.000 1.264 1366 I HN 0.525 nan 8.210 nan 0.000 0.438 1367 c N 3.793 122.390 118.600 -0.005 0.000 2.408 1367 c HA 0.800 5.370 4.570 0.000 0.000 0.321 1367 c C 0.330 174.448 174.090 0.047 0.000 1.245 1367 c CA -0.439 55.901 56.329 0.019 0.000 1.523 1367 c CB 1.601 44.117 42.510 0.010 0.000 2.178 1367 c HN 0.806 nan 8.230 nan 0.000 0.488 1368 T N 2.427 117.026 114.554 0.075 0.000 2.883 1368 T HA 0.759 5.109 4.350 0.000 0.000 0.301 1368 T C -1.457 173.326 174.700 0.139 0.000 1.158 1368 T CA -0.506 61.673 62.100 0.131 0.000 1.007 1368 T CB 1.505 70.483 68.868 0.182 0.000 1.186 1368 T HN 0.887 nan 8.240 nan 0.000 0.499 1369 R N 1.943 122.541 120.500 0.165 0.000 2.604 1369 R HA 0.414 4.754 4.340 0.000 0.000 0.270 1369 R C -2.101 174.232 176.300 0.055 0.000 1.052 1369 R CA -0.742 55.426 56.100 0.112 0.000 0.902 1369 R CB 1.459 31.796 30.300 0.061 0.000 1.233 1369 R HN 0.708 nan 8.270 nan 0.000 0.455 1370 Y N 3.086 123.298 120.300 -0.148 0.000 2.336 1370 Y HA 0.285 4.835 4.550 0.000 0.000 0.335 1370 Y C 0.347 176.140 175.900 -0.178 0.000 1.046 1370 Y CA -0.155 57.714 58.100 -0.384 0.000 1.198 1370 Y CB 1.018 39.261 38.460 -0.361 0.000 1.182 1370 Y HN 0.521 nan 8.280 nan 0.000 0.502 1371 R N 4.294 124.395 120.500 -0.665 0.000 3.192 1371 R HA 0.213 4.553 4.340 0.000 0.000 0.264 1371 R C 0.246 176.278 176.300 -0.446 0.000 1.464 1371 R CA 0.133 55.993 56.100 -0.401 0.000 1.309 1371 R CB -0.329 29.790 30.300 -0.303 0.000 1.283 1371 R HN 0.799 nan 8.270 nan 0.000 0.584 1372 G N -0.756 107.810 108.800 -0.388 0.000 2.735 1372 G HA2 0.115 4.075 3.960 0.000 0.000 0.301 1372 G HA3 0.115 4.075 3.960 0.000 0.000 0.301 1372 G C -0.263 174.583 174.900 -0.090 0.000 1.279 1372 G CA -0.534 44.501 45.100 -0.107 0.000 1.019 1372 G HN -0.006 nan 8.290 nan 0.000 0.497 1373 D N -0.656 119.657 120.400 -0.144 0.000 2.305 1373 D HA 0.082 4.722 4.640 0.000 0.000 0.206 1373 D C 0.733 176.666 176.300 -0.612 0.000 0.974 1373 D CA 0.849 54.645 54.000 -0.339 0.000 0.871 1373 D CB 0.383 41.094 40.800 -0.149 0.000 0.947 1373 D HN 0.188 nan 8.370 nan 0.000 0.516 1374 Q N 0.740 120.356 119.800 -0.306 0.000 2.301 1374 Q HA 0.283 4.623 4.340 0.000 0.000 0.267 1374 Q C -0.841 175.106 176.000 -0.088 0.000 1.035 1374 Q CA -0.613 55.070 55.803 -0.201 0.000 0.856 1374 Q CB 1.210 29.899 28.738 -0.083 0.000 1.337 1374 Q HN -0.058 nan 8.270 nan 0.000 0.450 1375 D N 1.454 121.880 120.400 0.045 0.000 2.349 1375 D HA 0.241 4.881 4.640 0.000 0.000 0.266 1375 D C -0.072 176.151 176.300 -0.129 0.000 1.293 1375 D CA 0.226 54.263 54.000 0.063 0.000 0.926 1375 D CB 0.326 41.184 40.800 0.097 0.000 1.090 1375 D HN 0.520 nan 8.370 nan 0.000 0.502 1376 A N 2.969 125.553 122.820 -0.394 0.000 2.587 1376 A HA 0.234 4.554 4.320 0.000 0.000 0.233 1376 A C 1.456 178.956 177.584 -0.139 0.000 1.049 1376 A CA 0.151 51.853 52.037 -0.559 0.000 0.754 1376 A CB -0.041 18.361 19.000 -0.996 0.000 0.977 1376 A HN 0.646 nan 8.150 nan 0.000 0.509 1377 T N 1.248 115.799 114.554 -0.006 0.000 5.430 1377 T HA 0.197 4.547 4.350 0.000 0.000 0.400 1377 T C 0.857 175.625 174.700 0.114 0.000 0.998 1377 T CA 0.631 62.783 62.100 0.087 0.000 0.892 1377 T CB -0.101 68.880 68.868 0.188 0.000 1.448 1377 T HN 0.671 nan 8.240 nan 0.000 0.414 1378 M N 1.731 121.415 119.600 0.140 0.000 2.220 1378 M HA 0.342 4.822 4.480 0.000 0.000 0.343 1378 M C -0.873 175.530 176.300 0.171 0.000 1.470 1378 M CA -0.021 55.328 55.300 0.081 0.000 1.161 1378 M CB -0.124 32.422 32.600 -0.090 0.000 1.737 1378 M HN 0.608 nan 8.290 nan 0.000 0.464 1379 S N 4.260 120.024 115.700 0.107 0.000 2.786 1379 S HA 0.805 5.275 4.470 0.000 0.000 0.307 1379 S C -0.828 173.722 174.600 -0.084 0.000 1.121 1379 S CA -0.721 57.489 58.200 0.018 0.000 0.975 1379 S CB 1.353 64.581 63.200 0.045 0.000 1.220 1379 S HN 0.640 nan 8.310 nan 0.000 0.550 1380 I N 0.805 121.157 120.570 -0.363 0.000 2.647 1380 I HA 0.422 4.592 4.170 0.000 0.000 0.295 1380 I C -1.198 174.657 176.117 -0.435 0.000 1.078 1380 I CA -0.163 60.880 61.300 -0.428 0.000 1.048 1380 I CB 1.551 39.199 38.000 -0.588 0.000 1.239 1380 I HN 0.365 nan 8.210 nan 0.000 0.421 1381 L N 4.699 125.736 121.223 -0.310 0.000 2.301 1381 L HA 0.403 4.743 4.340 0.000 0.000 0.278 1381 L C -0.816 175.951 176.870 -0.172 0.000 1.022 1381 L CA -0.412 54.307 54.840 -0.202 0.000 0.854 1381 L CB 0.902 42.882 42.059 -0.131 0.000 1.226 1381 L HN 0.506 nan 8.230 nan 0.000 0.429 1382 D N 4.904 125.251 120.400 -0.089 0.000 2.347 1382 D HA 0.396 5.036 4.640 0.000 0.000 0.235 1382 D C -0.464 175.832 176.300 -0.006 0.000 1.149 1382 D CA -0.031 53.950 54.000 -0.030 0.000 0.850 1382 D CB 0.761 41.598 40.800 0.063 0.000 1.061 1382 D HN 0.240 nan 8.370 nan 0.000 0.487 1383 I N 2.168 122.740 120.570 0.003 0.000 2.441 1383 I HA 0.277 4.447 4.170 0.000 0.000 0.295 1383 I C 0.025 176.193 176.117 0.086 0.000 0.994 1383 I CA -0.871 60.469 61.300 0.068 0.000 1.144 1383 I CB 1.912 39.976 38.000 0.107 0.000 1.314 1383 I HN 0.307 nan 8.210 nan 0.000 0.445 1384 S N 6.602 122.378 115.700 0.128 0.000 2.596 1384 S HA 0.569 5.039 4.470 0.000 0.000 0.318 1384 S C -0.343 174.351 174.600 0.157 0.000 1.097 1384 S CA -1.009 57.254 58.200 0.105 0.000 1.080 1384 S CB 1.242 64.475 63.200 0.056 0.000 0.991 1384 S HN 0.394 nan 8.310 nan 0.000 0.471 1385 M N 2.749 122.446 119.600 0.163 0.000 2.207 1385 M HA 0.247 4.727 4.480 0.000 0.000 0.311 1385 M C 0.328 176.693 176.300 0.109 0.000 1.127 1385 M CA 0.417 55.842 55.300 0.208 0.000 1.181 1385 M CB -0.134 32.609 32.600 0.239 0.000 1.409 1385 M HN 0.678 nan 8.290 nan 0.000 0.461 1386 M N 0.971 120.632 119.600 0.102 0.000 2.143 1386 M HA 0.070 4.550 4.480 0.000 0.000 0.348 1386 M C 0.570 176.984 176.300 0.191 0.000 1.375 1386 M CA -0.101 55.223 55.300 0.039 0.000 1.124 1386 M CB 0.198 32.730 32.600 -0.113 0.000 1.669 1386 M HN 0.672 nan 8.290 nan 0.000 0.469 1387 T N 3.495 118.085 114.554 0.061 0.000 2.419 1387 T HA 0.039 4.389 4.350 0.000 0.000 0.229 1387 T C 1.110 175.776 174.700 -0.056 0.000 1.095 1387 T CA 1.780 63.858 62.100 -0.036 0.000 1.402 1387 T CB -0.661 68.144 68.868 -0.106 0.000 1.078 1387 T HN 1.065 nan 8.240 nan 0.000 0.485 1388 G N 3.706 112.437 108.800 -0.114 0.000 2.148 1388 G HA2 -0.093 3.867 3.960 0.000 0.000 0.157 1388 G HA3 -0.093 3.867 3.960 0.000 0.000 0.157 1388 G C -0.243 174.457 174.900 -0.333 0.000 1.012 1388 G CA -0.436 44.454 45.100 -0.350 0.000 0.677 1388 G HN 0.681 nan 8.290 nan 0.000 0.506 1389 F N 0.522 120.561 119.950 0.147 0.000 2.569 1389 F HA 0.769 5.296 4.527 0.000 0.000 0.312 1389 F C 0.212 176.158 175.800 0.244 0.000 1.109 1389 F CA -0.251 57.867 58.000 0.197 0.000 0.919 1389 F CB 2.526 41.581 39.000 0.092 0.000 1.211 1389 F HN 0.411 nan 8.300 nan 0.000 0.446 1390 A N 4.011 127.006 122.820 0.291 0.000 2.393 1390 A HA 0.851 5.171 4.320 0.000 0.000 0.306 1390 A C -2.980 174.727 177.584 0.205 0.000 1.050 1390 A CA -2.050 50.094 52.037 0.178 0.000 0.724 1390 A CB 1.381 20.390 19.000 0.015 0.000 1.248 1390 A HN 0.372 nan 8.150 nan 0.000 0.424 1391 P HA 0.088 nan 4.420 nan 0.000 0.266 1391 P C -0.651 176.915 177.300 0.444 0.000 1.195 1391 P CA 0.161 63.470 63.100 0.348 0.000 0.768 1391 P CB 0.477 32.257 31.700 0.134 0.000 0.838 1392 D N 1.377 122.053 120.400 0.460 0.000 2.401 1392 D HA -0.022 4.618 4.640 0.000 0.000 0.254 1392 D C 1.252 177.722 176.300 0.283 0.000 1.192 1392 D CA 0.357 54.677 54.000 0.534 0.000 0.885 1392 D CB 0.557 41.627 40.800 0.451 0.000 1.147 1392 D HN 0.353 nan 8.370 nan 0.000 0.478 1393 T N 1.064 115.727 114.554 0.181 0.000 2.684 1393 T HA -0.238 4.112 4.350 0.000 0.000 0.267 1393 T C 1.256 175.962 174.700 0.010 0.000 1.036 1393 T CA 1.330 63.432 62.100 0.003 0.000 1.148 1393 T CB -0.221 68.560 68.868 -0.144 0.000 0.863 1393 T HN 0.321 nan 8.240 nan 0.000 0.436 1394 D N 1.767 122.189 120.400 0.037 0.000 2.123 1394 D HA -0.070 4.570 4.640 0.000 0.000 0.196 1394 D C 1.956 178.283 176.300 0.045 0.000 0.992 1394 D CA 1.371 55.390 54.000 0.032 0.000 0.833 1394 D CB -0.653 40.176 40.800 0.047 0.000 0.954 1394 D HN 0.440 nan 8.370 nan 0.000 0.455 1395 D N -0.115 120.337 120.400 0.087 0.000 2.178 1395 D HA -0.065 4.575 4.640 0.000 0.000 0.201 1395 D C 2.215 178.533 176.300 0.031 0.000 0.980 1395 D CA 0.311 54.365 54.000 0.090 0.000 0.842 1395 D CB -0.213 40.690 40.800 0.171 0.000 0.948 1395 D HN 0.222 nan 8.370 nan 0.000 0.472 1396 L N 0.083 121.298 121.223 -0.014 0.000 2.093 1396 L HA -0.142 4.198 4.340 0.000 0.000 0.208 1396 L C 2.150 178.982 176.870 -0.064 0.000 1.085 1396 L CA 1.007 55.794 54.840 -0.089 0.000 0.755 1396 L CB -0.211 41.777 42.059 -0.117 0.000 0.904 1396 L HN -0.073 nan 8.230 nan 0.000 0.435 1397 K N -0.188 120.189 120.400 -0.038 0.000 2.097 1397 K HA -0.236 4.084 4.320 0.000 0.000 0.206 1397 K C 2.087 178.678 176.600 -0.016 0.000 1.049 1397 K CA 1.152 57.420 56.287 -0.031 0.000 0.933 1397 K CB -0.193 32.293 32.500 -0.023 0.000 0.717 1397 K HN 0.076 nan 8.250 nan 0.000 0.442 1398 Q N 0.737 120.535 119.800 -0.002 0.000 2.050 1398 Q HA -0.048 4.292 4.340 0.000 0.000 0.202 1398 Q C 1.725 177.730 176.000 0.007 0.000 0.980 1398 Q CA 1.593 57.402 55.803 0.009 0.000 0.840 1398 Q CB -0.173 28.579 28.738 0.024 0.000 0.898 1398 Q HN 0.309 nan 8.270 nan 0.000 0.424 1399 L N -0.328 120.894 121.223 -0.000 0.000 2.201 1399 L HA -0.052 4.288 4.340 0.000 0.000 0.212 1399 L C 2.296 179.160 176.870 -0.009 0.000 1.105 1399 L CA 0.761 55.599 54.840 -0.002 0.000 0.775 1399 L CB -0.647 41.401 42.059 -0.019 0.000 0.913 1399 L HN 0.287 nan 8.230 nan 0.000 0.440 1400 A N 0.636 123.440 122.820 -0.027 0.000 1.854 1400 A HA -0.174 4.146 4.320 0.000 0.000 0.214 1400 A C 1.997 179.589 177.584 0.014 0.000 1.192 1400 A CA 1.631 53.652 52.037 -0.026 0.000 0.611 1400 A CB -0.686 18.276 19.000 -0.064 0.000 0.832 1400 A HN 0.467 nan 8.150 nan 0.000 0.442 1401 N N 0.083 118.789 118.700 0.010 0.000 2.289 1401 N HA -0.043 4.697 4.740 0.000 0.000 0.184 1401 N C 1.042 176.569 175.510 0.028 0.000 1.016 1401 N CA 0.218 53.281 53.050 0.021 0.000 0.872 1401 N CB -0.239 38.255 38.487 0.012 0.000 0.973 1401 N HN 0.479 nan 8.380 nan 0.000 0.433 1402 G N 1.152 109.968 108.800 0.026 0.000 2.432 1402 G HA2 0.208 4.168 3.960 0.000 0.000 0.239 1402 G HA3 0.208 4.168 3.960 0.000 0.000 0.239 1402 G C 0.005 174.928 174.900 0.039 0.000 1.291 1402 G CA -0.353 44.764 45.100 0.029 0.000 0.863 1402 G HN 0.007 nan 8.290 nan 0.000 0.560 1403 V N 2.390 122.324 119.914 0.033 0.000 3.096 1403 V HA 0.188 4.308 4.120 0.000 0.000 0.306 1403 V C 0.996 177.114 176.094 0.039 0.000 1.088 1403 V CA 1.000 63.320 62.300 0.034 0.000 1.129 1403 V CB 0.838 32.674 31.823 0.022 0.000 1.014 1403 V HN 1.019 nan 8.190 nan 0.000 0.486 1404 D N 1.641 122.065 120.400 0.040 0.000 2.946 1404 D HA -0.149 4.491 4.640 0.000 0.000 0.202 1404 D C 0.237 176.577 176.300 0.067 0.000 1.068 1404 D CA 1.445 55.471 54.000 0.044 0.000 1.011 1404 D CB -0.699 40.122 40.800 0.036 0.000 1.105 1404 D HN 0.744 nan 8.370 nan 0.000 0.425 1405 R N -0.601 119.950 120.500 0.084 0.000 2.795 1405 R HA 0.668 5.008 4.340 0.000 0.000 0.275 1405 R C -1.098 175.314 176.300 0.187 0.000 0.981 1405 R CA -0.826 55.340 56.100 0.110 0.000 0.917 1405 R CB 2.530 32.869 30.300 0.064 0.000 1.202 1405 R HN 0.094 nan 8.270 nan 0.000 0.469 1406 Y N 1.990 122.328 120.300 0.063 0.000 2.442 1406 Y HA 0.501 5.051 4.550 0.000 0.000 0.330 1406 Y C -1.751 174.235 175.900 0.143 0.000 1.100 1406 Y CA -0.740 57.408 58.100 0.081 0.000 1.034 1406 Y CB 1.468 39.965 38.460 0.061 0.000 1.285 1406 Y HN 0.515 nan 8.280 nan 0.000 0.440 1407 I N 6.079 126.243 120.570 -0.676 0.000 2.468 1407 I HA 0.267 4.437 4.170 0.000 0.000 0.284 1407 I C -0.276 175.384 176.117 -0.762 0.000 1.038 1407 I CA -0.961 59.999 61.300 -0.566 0.000 1.083 1407 I CB 1.958 39.796 38.000 -0.270 0.000 1.223 1407 I HN 0.761 nan 8.210 nan 0.000 0.443 1408 S N 4.709 120.004 115.700 -0.675 0.000 2.558 1408 S HA -0.045 4.425 4.470 0.000 0.000 0.291 1408 S C 1.194 175.745 174.600 -0.082 0.000 1.306 1408 S CA -0.231 57.809 58.200 -0.267 0.000 1.056 1408 S CB 1.110 64.365 63.200 0.092 0.000 0.836 1408 S HN 0.856 nan 8.310 nan 0.000 0.504 1409 K N 1.635 122.039 120.400 0.008 0.000 2.160 1409 K HA -0.242 4.078 4.320 0.000 0.000 0.206 1409 K C 1.695 178.320 176.600 0.042 0.000 1.047 1409 K CA 1.604 57.902 56.287 0.018 0.000 0.930 1409 K CB -0.383 32.144 32.500 0.045 0.000 0.720 1409 K HN 0.840 nan 8.250 nan 0.000 0.450 1410 Y N 1.329 121.620 120.300 -0.016 0.000 2.256 1410 Y HA -0.231 4.319 4.550 0.000 0.000 0.288 1410 Y C 2.035 177.919 175.900 -0.026 0.000 1.155 1410 Y CA 2.069 60.164 58.100 -0.008 0.000 1.203 1410 Y CB 0.076 38.546 38.460 0.018 0.000 0.980 1410 Y HN 0.217 nan 8.280 nan 0.000 0.530 1411 E N -0.542 119.728 120.200 0.117 0.000 2.299 1411 E HA -0.059 4.291 4.350 0.000 0.000 0.193 1411 E C 1.682 178.244 176.600 -0.063 0.000 0.998 1411 E CA 0.548 56.966 56.400 0.030 0.000 0.851 1411 E CB -0.184 29.528 29.700 0.019 0.000 0.795 1411 E HN 0.370 nan 8.360 nan 0.000 0.492 1412 L N 1.296 122.473 121.223 -0.077 0.000 1.937 1412 L HA -0.117 4.223 4.340 0.000 0.000 0.213 1412 L C 0.751 177.554 176.870 -0.112 0.000 1.077 1412 L CA 1.878 56.662 54.840 -0.094 0.000 0.758 1412 L CB -0.904 41.106 42.059 -0.083 0.000 0.888 1412 L HN 0.221 nan 8.230 nan 0.000 0.433 1413 D N -0.514 119.811 120.400 -0.125 0.000 2.662 1413 D HA -0.007 4.633 4.640 0.000 0.000 0.228 1413 D C 0.730 176.930 176.300 -0.167 0.000 1.093 1413 D CA 0.294 54.211 54.000 -0.139 0.000 1.075 1413 D CB -0.215 40.510 40.800 -0.126 0.000 1.122 1413 D HN 0.299 nan 8.370 nan 0.000 0.475 1414 K N 0.317 120.626 120.400 -0.151 0.000 2.435 1414 K HA 0.420 4.740 4.320 0.000 0.000 0.199 1414 K C 0.322 176.848 176.600 -0.123 0.000 1.153 1414 K CA 0.284 56.486 56.287 -0.142 0.000 0.974 1414 K CB 0.617 33.047 32.500 -0.116 0.000 0.997 1414 K HN 0.378 nan 8.250 nan 0.000 0.547 1415 A N 0.486 123.218 122.820 -0.146 0.000 2.770 1415 A HA -0.235 4.085 4.320 0.000 0.000 0.674 1415 A C 0.520 178.042 177.584 -0.103 0.000 0.315 1415 A CA 0.101 52.016 52.037 -0.202 0.000 0.133 1415 A CB -1.414 17.466 19.000 -0.199 0.000 3.903 1415 A HN 0.161 nan 8.150 nan 0.000 0.543 1416 F N 1.250 121.088 119.950 -0.186 0.000 2.147 1416 F HA -0.243 4.284 4.527 0.000 0.000 0.301 1416 F C 2.796 178.330 175.800 -0.442 0.000 1.084 1416 F CA 2.176 59.999 58.000 -0.296 0.000 1.268 1416 F CB -1.555 37.222 39.000 -0.371 0.000 1.009 1416 F HN 0.961 nan 8.300 nan 0.000 0.486 1417 S N 0.805 116.405 115.700 -0.166 0.000 2.557 1417 S HA -0.233 4.237 4.470 0.000 0.000 0.225 1417 S C 0.540 175.121 174.600 -0.031 0.000 1.092 1417 S CA 1.196 59.309 58.200 -0.146 0.000 1.310 1417 S CB -1.268 61.901 63.200 -0.051 0.000 1.147 1417 S HN 0.386 nan 8.310 nan 0.000 0.402 1418 D N 0.790 121.185 120.400 -0.008 0.000 2.483 1418 D HA 0.421 5.061 4.640 0.000 0.000 0.220 1418 D C 0.143 176.447 176.300 0.007 0.000 1.173 1418 D CA -0.319 53.690 54.000 0.015 0.000 0.964 1418 D CB 0.067 40.865 40.800 -0.002 0.000 1.046 1418 D HN 0.510 nan 8.370 nan 0.000 0.517 1419 R N 2.169 122.691 120.500 0.038 0.000 2.490 1419 R HA -0.027 4.313 4.340 0.000 0.000 0.410 1419 R C 0.317 176.662 176.300 0.074 0.000 0.876 1419 R CA -0.148 55.977 56.100 0.042 0.000 1.061 1419 R CB -0.034 30.289 30.300 0.039 0.000 1.553 1419 R HN 0.254 nan 8.270 nan 0.000 0.593 1420 N N -0.174 118.574 118.700 0.080 0.000 2.272 1420 N HA -0.106 4.634 4.740 0.000 0.000 0.185 1420 N C 0.339 175.891 175.510 0.071 0.000 1.014 1420 N CA 1.514 54.619 53.050 0.091 0.000 0.870 1420 N CB -0.183 38.338 38.487 0.057 0.000 0.975 1420 N HN 0.233 nan 8.380 nan 0.000 0.433 1421 T N -1.732 112.848 114.554 0.044 0.000 2.797 1421 T HA 0.606 4.956 4.350 0.000 0.000 0.279 1421 T C -0.539 174.171 174.700 0.017 0.000 0.991 1421 T CA -1.052 61.067 62.100 0.031 0.000 0.979 1421 T CB 1.795 70.671 68.868 0.014 0.000 0.943 1421 T HN 0.101 nan 8.240 nan 0.000 0.444 1422 L N 3.131 124.354 121.223 0.001 0.000 2.354 1422 L HA 0.774 5.114 4.340 0.000 0.000 0.269 1422 L C -1.390 175.419 176.870 -0.100 0.000 1.005 1422 L CA -1.262 53.545 54.840 -0.054 0.000 0.819 1422 L CB 1.739 43.746 42.059 -0.087 0.000 1.311 1422 L HN 0.821 nan 8.230 nan 0.000 0.423 1423 I N 5.863 126.334 120.570 -0.166 0.000 2.468 1423 I HA 0.382 4.552 4.170 0.000 0.000 0.284 1423 I C -0.920 174.946 176.117 -0.417 0.000 1.038 1423 I CA -0.276 60.839 61.300 -0.308 0.000 1.083 1423 I CB 1.560 39.346 38.000 -0.356 0.000 1.223 1423 I HN 0.441 nan 8.210 nan 0.000 0.443 1424 I N 6.566 126.913 120.570 -0.372 0.000 2.337 1424 I HA 0.264 4.434 4.170 0.000 0.000 0.285 1424 I C -0.699 175.269 176.117 -0.249 0.000 1.041 1424 I CA -0.622 60.518 61.300 -0.268 0.000 1.199 1424 I CB 0.478 38.379 38.000 -0.164 0.000 1.370 1424 I HN 0.398 nan 8.210 nan 0.000 0.470 1425 Y N 6.447 126.754 120.300 0.011 0.000 2.402 1425 Y HA 0.319 4.869 4.550 0.000 0.000 0.333 1425 Y C 0.263 176.195 175.900 0.053 0.000 1.076 1425 Y CA -0.198 57.936 58.100 0.056 0.000 1.299 1425 Y CB 0.486 39.064 38.460 0.196 0.000 1.197 1425 Y HN 0.364 nan 8.280 nan 0.000 0.517 1426 L N 3.644 124.954 121.223 0.144 0.000 2.317 1426 L HA 0.313 4.653 4.340 0.000 0.000 0.281 1426 L C 0.207 177.131 176.870 0.089 0.000 1.024 1426 L CA -0.673 54.226 54.840 0.099 0.000 0.810 1426 L CB 1.513 43.610 42.059 0.063 0.000 1.240 1426 L HN 0.623 nan 8.230 nan 0.000 0.427 1427 D N 1.292 121.732 120.400 0.067 0.000 2.289 1427 D HA -0.000 4.640 4.640 0.000 0.000 0.207 1427 D C 0.056 176.376 176.300 0.034 0.000 0.966 1427 D CA 0.986 55.005 54.000 0.033 0.000 0.868 1427 D CB 0.324 41.135 40.800 0.017 0.000 0.943 1427 D HN 0.521 nan 8.370 nan 0.000 0.514 1428 K N -1.480 118.949 120.400 0.049 0.000 2.660 1428 K HA 0.490 4.810 4.320 0.000 0.000 0.285 1428 K C -1.506 175.133 176.600 0.064 0.000 0.997 1428 K CA -1.061 55.254 56.287 0.046 0.000 0.861 1428 K CB 1.772 34.290 32.500 0.030 0.000 1.469 1428 K HN -0.174 nan 8.250 nan 0.000 0.395 1429 V N -1.708 118.245 119.914 0.065 0.000 2.569 1429 V HA 0.549 4.669 4.120 0.000 0.000 0.301 1429 V C -0.046 176.099 176.094 0.085 0.000 1.044 1429 V CA -0.722 61.636 62.300 0.097 0.000 0.874 1429 V CB 1.253 33.189 31.823 0.188 0.000 1.002 1429 V HN 0.894 nan 8.190 nan 0.000 0.424 1430 S N 2.222 117.965 115.700 0.072 0.000 2.566 1430 S HA 0.178 4.648 4.470 0.000 0.000 0.280 1430 S C 0.949 175.608 174.600 0.099 0.000 1.343 1430 S CA 0.981 59.211 58.200 0.050 0.000 1.036 1430 S CB 0.265 63.457 63.200 -0.012 0.000 0.866 1430 S HN 1.389 nan 8.310 nan 0.000 0.526 1431 H N 0.785 119.891 119.070 0.061 0.000 2.740 1431 H HA 0.463 5.019 4.556 0.000 0.000 0.265 1431 H C 1.503 176.853 175.328 0.036 0.000 0.978 1431 H CA 0.528 56.620 56.048 0.073 0.000 1.198 1431 H CB -0.090 29.740 29.762 0.113 0.000 1.467 1431 H HN 0.345 nan 8.280 nan 0.000 0.511 1432 S N 0.020 115.441 115.700 -0.465 0.000 2.324 1432 S HA 0.030 4.500 4.470 0.000 0.000 0.210 1432 S C 0.555 175.086 174.600 -0.115 0.000 1.027 1432 S CA 0.935 58.954 58.200 -0.301 0.000 0.945 1432 S CB 0.062 63.059 63.200 -0.339 0.000 0.908 1432 S HN 0.668 nan 8.310 nan 0.000 0.496 1433 E N 1.193 121.337 120.200 -0.093 0.000 2.518 1433 E HA 0.533 4.883 4.350 0.000 0.000 0.248 1433 E C -1.580 175.013 176.600 -0.011 0.000 1.028 1433 E CA -0.918 55.459 56.400 -0.039 0.000 0.922 1433 E CB -0.030 29.650 29.700 -0.034 0.000 1.299 1433 E HN -0.111 nan 8.360 nan 0.000 0.457 1434 D N 0.296 120.698 120.400 0.003 0.000 2.233 1434 D HA 0.292 4.932 4.640 0.000 0.000 0.240 1434 D C -0.970 175.344 176.300 0.024 0.000 1.074 1434 D CA -0.442 53.572 54.000 0.023 0.000 0.838 1434 D CB 0.851 41.665 40.800 0.023 0.000 1.124 1434 D HN 0.229 nan 8.370 nan 0.000 0.475 1435 D N 1.551 121.975 120.400 0.040 0.000 2.365 1435 D HA 0.184 4.824 4.640 0.000 0.000 0.237 1435 D C -0.344 175.978 176.300 0.038 0.000 1.190 1435 D CA -0.116 53.907 54.000 0.039 0.000 0.867 1435 D CB 0.385 41.216 40.800 0.051 0.000 1.050 1435 D HN 0.195 nan 8.370 nan 0.000 0.491 1436 c N 3.179 121.794 118.600 0.025 0.000 2.411 1436 c HA 0.765 5.335 4.570 0.000 0.000 0.330 1436 c C -0.120 173.983 174.090 0.021 0.000 1.224 1436 c CA -0.850 55.490 56.329 0.018 0.000 1.770 1436 c CB -0.020 42.492 42.510 0.004 0.000 2.297 1436 c HN 0.541 nan 8.230 nan 0.000 0.507 1437 L N 1.141 122.379 121.223 0.026 0.000 2.359 1437 L HA 1.099 5.439 4.340 0.000 0.000 0.256 1437 L C -0.469 176.425 176.870 0.039 0.000 1.026 1437 L CA -0.830 54.038 54.840 0.047 0.000 0.828 1437 L CB 1.352 43.455 42.059 0.074 0.000 1.406 1437 L HN 0.798 nan 8.230 nan 0.000 0.413 1438 A N 1.085 123.943 122.820 0.063 0.000 2.574 1438 A HA 0.907 5.227 4.320 0.000 0.000 0.297 1438 A C -1.417 176.230 177.584 0.104 0.000 1.062 1438 A CA -0.421 51.608 52.037 -0.013 0.000 0.686 1438 A CB 1.303 20.253 19.000 -0.084 0.000 1.285 1438 A HN 1.250 nan 8.150 nan 0.000 0.403 1439 F N -0.646 119.267 119.950 -0.061 0.000 2.626 1439 F HA 0.785 5.312 4.527 0.000 0.000 0.311 1439 F C -0.479 175.285 175.800 -0.061 0.000 1.088 1439 F CA -1.117 56.858 58.000 -0.042 0.000 0.949 1439 F CB 1.295 40.280 39.000 -0.025 0.000 1.322 1439 F HN 0.459 nan 8.300 nan 0.000 0.461 1440 K N 1.736 122.198 120.400 0.105 0.000 2.185 1440 K HA 0.677 4.998 4.320 0.000 0.000 0.271 1440 K C -0.882 175.701 176.600 -0.027 0.000 1.013 1440 K CA -0.900 55.353 56.287 -0.057 0.000 0.943 1440 K CB 1.888 34.358 32.500 -0.050 0.000 0.998 1440 K HN 0.669 nan 8.250 nan 0.000 0.468 1441 V N -0.981 118.810 119.914 -0.206 0.000 2.789 1441 V HA 0.477 4.597 4.120 0.000 0.000 0.311 1441 V C -0.830 175.135 176.094 -0.215 0.000 1.073 1441 V CA -0.923 61.330 62.300 -0.078 0.000 0.921 1441 V CB 1.742 33.598 31.823 0.056 0.000 1.009 1441 V HN 0.718 nan 8.190 nan 0.000 0.426 1442 H N 2.418 121.525 119.070 0.061 0.000 2.569 1442 H HA 0.506 5.062 4.556 0.000 0.000 0.357 1442 H C -1.031 174.180 175.328 -0.195 0.000 1.153 1442 H CA -0.493 55.510 56.048 -0.075 0.000 1.193 1442 H CB 2.670 32.215 29.762 -0.360 0.000 1.602 1442 H HN 0.859 nan 8.280 nan 0.000 0.523 1443 Q N 1.918 121.557 119.800 -0.269 0.000 2.274 1443 Q HA 0.136 4.476 4.340 0.000 0.000 0.256 1443 Q C -0.647 175.203 176.000 -0.250 0.000 0.927 1443 Q CA -0.494 54.873 55.803 -0.727 0.000 0.939 1443 Q CB 0.571 28.798 28.738 -0.852 0.000 1.201 1443 Q HN 0.805 nan 8.270 nan 0.000 0.426 1444 Y N 1.994 122.102 120.300 -0.321 0.000 2.610 1444 Y HA 0.348 4.898 4.550 0.000 0.000 0.254 1444 Y C -0.053 175.780 175.900 -0.113 0.000 1.110 1444 Y CA -0.524 57.474 58.100 -0.170 0.000 1.238 1444 Y CB 0.336 38.725 38.460 -0.119 0.000 1.322 1444 Y HN 0.602 nan 8.280 nan 0.000 0.547 1445 F N 1.339 120.841 119.950 -0.746 0.000 2.699 1445 F HA 0.280 4.807 4.527 0.000 0.000 0.295 1445 F C 0.310 175.902 175.800 -0.345 0.000 1.052 1445 F CA -0.222 57.405 58.000 -0.622 0.000 1.239 1445 F CB 0.522 39.017 39.000 -0.840 0.000 1.018 1445 F HN 0.071 nan 8.300 nan 0.000 0.627 1446 N N 1.464 120.099 118.700 -0.109 0.000 2.493 1446 N HA -0.215 4.525 4.740 0.000 0.000 0.300 1446 N C -1.344 174.180 175.510 0.024 0.000 1.407 1446 N CA 0.935 53.948 53.050 -0.062 0.000 0.656 1446 N CB -0.448 37.994 38.487 -0.075 0.000 0.995 1446 N HN 0.221 nan 8.380 nan 0.000 0.497 1447 V N 3.824 123.749 119.914 0.019 0.000 2.752 1447 V HA 0.390 4.510 4.120 0.000 0.000 0.302 1447 V C -0.122 175.988 176.094 0.027 0.000 1.133 1447 V CA -0.379 61.941 62.300 0.033 0.000 0.919 1447 V CB 1.498 33.340 31.823 0.031 0.000 1.026 1447 V HN 0.690 nan 8.190 nan 0.000 0.429 1448 E N 7.017 127.234 120.200 0.028 0.000 2.467 1448 E HA 0.269 4.619 4.350 0.000 0.000 0.264 1448 E C -0.248 176.380 176.600 0.047 0.000 1.020 1448 E CA -0.098 56.321 56.400 0.032 0.000 0.945 1448 E CB 0.398 30.111 29.700 0.021 0.000 0.942 1448 E HN 0.872 nan 8.360 nan 0.000 0.449 1449 L N 1.431 122.689 121.223 0.058 0.000 3.423 1449 L HA -0.252 4.088 4.340 0.000 0.000 0.671 1449 L C -0.247 176.685 176.870 0.102 0.000 1.083 1449 L CA 0.107 54.995 54.840 0.079 0.000 1.201 1449 L CB -1.652 40.443 42.059 0.060 0.000 1.578 1449 L HN 0.647 nan 8.230 nan 0.000 0.839 1450 I N -0.635 120.012 120.570 0.129 0.000 2.612 1450 I HA 0.455 4.625 4.170 0.000 0.000 0.295 1450 I C 0.474 176.673 176.117 0.136 0.000 1.011 1450 I CA -0.081 61.286 61.300 0.112 0.000 1.326 1450 I CB 1.029 39.082 38.000 0.088 0.000 1.427 1450 I HN 0.433 nan 8.210 nan 0.000 0.537 1451 Q N 5.372 125.226 119.800 0.091 0.000 2.279 1451 Q HA 0.426 4.766 4.340 0.000 0.000 0.256 1451 Q C -2.337 173.672 176.000 0.015 0.000 0.937 1451 Q CA -1.913 53.923 55.803 0.055 0.000 0.933 1451 Q CB 0.919 29.692 28.738 0.058 0.000 1.189 1451 Q HN 0.499 nan 8.270 nan 0.000 0.417 1452 P HA -0.019 nan 4.420 nan 0.000 0.264 1452 P C -0.300 176.889 177.300 -0.184 0.000 1.193 1452 P CA 0.181 63.256 63.100 -0.042 0.000 0.763 1452 P CB 0.678 32.355 31.700 -0.039 0.000 0.810 1453 G N 1.946 110.381 108.800 -0.609 0.000 2.611 1453 G HA2 0.551 4.511 3.960 0.000 0.000 0.273 1453 G HA3 0.551 4.511 3.960 0.000 0.000 0.273 1453 G C -0.919 173.821 174.900 -0.266 0.000 1.305 1453 G CA -0.068 44.622 45.100 -0.683 0.000 1.010 1453 G HN 0.678 nan 8.290 nan 0.000 0.509 1454 A N -1.833 120.995 122.820 0.013 0.000 2.577 1454 A HA 0.606 4.926 4.320 0.000 0.000 0.297 1454 A C -1.379 176.233 177.584 0.046 0.000 1.060 1454 A CA -0.391 51.624 52.037 -0.036 0.000 0.697 1454 A CB 1.712 20.604 19.000 -0.180 0.000 1.281 1454 A HN 1.244 nan 8.150 nan 0.000 0.402 1455 V N 1.889 121.771 119.914 -0.055 0.000 2.531 1455 V HA 0.593 4.713 4.120 0.000 0.000 0.301 1455 V C -0.160 175.878 176.094 -0.093 0.000 1.034 1455 V CA -0.595 61.688 62.300 -0.028 0.000 0.865 1455 V CB 1.861 33.683 31.823 -0.000 0.000 0.995 1455 V HN 0.916 nan 8.190 nan 0.000 0.424 1456 K N 3.668 124.036 120.400 -0.053 0.000 2.270 1456 K HA 0.827 5.147 4.320 0.000 0.000 0.255 1456 K C -1.119 175.469 176.600 -0.021 0.000 0.936 1456 K CA -0.566 55.702 56.287 -0.031 0.000 0.809 1456 K CB 2.149 34.661 32.500 0.019 0.000 1.131 1456 K HN 0.634 nan 8.250 nan 0.000 0.427 1457 V N 1.512 121.376 119.914 -0.083 0.000 2.680 1457 V HA 0.813 4.933 4.120 0.000 0.000 0.309 1457 V C -1.362 174.495 176.094 -0.395 0.000 1.052 1457 V CA -0.618 61.508 62.300 -0.290 0.000 0.908 1457 V CB 0.779 32.387 31.823 -0.359 0.000 1.001 1457 V HN 0.900 nan 8.190 nan 0.000 0.431 1458 Y N 1.434 121.367 120.300 -0.611 0.000 2.687 1458 Y HA 0.861 5.411 4.550 0.000 0.000 0.338 1458 Y C -0.324 175.421 175.900 -0.257 0.000 1.189 1458 Y CA -0.798 56.980 58.100 -0.537 0.000 1.097 1458 Y CB 0.507 38.798 38.460 -0.282 0.000 1.342 1458 Y HN 1.131 nan 8.280 nan 0.000 0.461 1459 A N 1.670 124.476 122.820 -0.023 0.000 2.313 1459 A HA 0.363 4.683 4.320 0.000 0.000 0.261 1459 A C 0.321 177.893 177.584 -0.020 0.000 1.090 1459 A CA -0.001 52.001 52.037 -0.059 0.000 0.807 1459 A CB -0.230 18.541 19.000 -0.381 0.000 1.055 1459 A HN 1.352 nan 8.150 nan 0.000 0.492 1460 Y N -0.463 119.835 120.300 -0.004 0.000 2.439 1460 Y HA -0.091 4.459 4.550 0.000 0.000 0.292 1460 Y C 1.405 177.389 175.900 0.140 0.000 1.130 1460 Y CA 1.493 59.657 58.100 0.106 0.000 1.254 1460 Y CB -0.602 37.931 38.460 0.122 0.000 1.000 1460 Y HN 0.690 nan 8.280 nan 0.000 0.554 1461 Y N -0.099 119.799 120.300 -0.669 0.000 2.478 1461 Y HA 0.363 4.913 4.550 0.000 0.000 0.261 1461 Y C -0.319 175.478 175.900 -0.171 0.000 1.127 1461 Y CA -0.729 57.035 58.100 -0.561 0.000 1.288 1461 Y CB -0.322 37.712 38.460 -0.710 0.000 1.084 1461 Y HN 0.153 nan 8.280 nan 0.000 0.530 1462 N N 0.494 118.915 118.700 -0.465 0.000 2.454 1462 N HA 0.258 4.998 4.740 0.000 0.000 0.291 1462 N C -0.534 174.901 175.510 -0.126 0.000 1.079 1462 N CA -0.401 52.508 53.050 -0.235 0.000 0.893 1462 N CB 1.559 39.887 38.487 -0.266 0.000 1.512 1462 N HN 0.165 nan 8.380 nan 0.000 0.497 1463 L N 3.466 124.626 121.223 -0.106 0.000 2.357 1463 L HA 0.374 4.714 4.340 0.000 0.000 0.211 1463 L C 1.638 178.413 176.870 -0.159 0.000 1.075 1463 L CA 1.489 56.207 54.840 -0.204 0.000 0.830 1463 L CB -0.115 41.803 42.059 -0.235 0.000 0.996 1463 L HN 0.607 nan 8.230 nan 0.000 0.467 1464 E N 0.934 121.085 120.200 -0.082 0.000 2.038 1464 E HA -0.224 4.126 4.350 0.000 0.000 0.195 1464 E C 0.866 177.456 176.600 -0.018 0.000 1.000 1464 E CA 1.589 57.963 56.400 -0.044 0.000 0.803 1464 E CB -0.310 29.381 29.700 -0.016 0.000 0.750 1464 E HN 0.673 nan 8.360 nan 0.000 0.448 1465 E N 1.326 121.534 120.200 0.012 0.000 2.222 1465 E HA 0.108 4.458 4.350 0.000 0.000 0.312 1465 E C -0.704 175.948 176.600 0.087 0.000 1.263 1465 E CA -0.210 56.233 56.400 0.072 0.000 1.356 1465 E CB -0.189 29.586 29.700 0.125 0.000 1.180 1465 E HN 0.035 nan 8.360 nan 0.000 0.494 1466 S N 0.609 116.318 115.700 0.016 0.000 2.607 1466 S HA 0.588 5.058 4.470 0.000 0.000 0.303 1466 S C -0.635 173.958 174.600 -0.011 0.000 1.086 1466 S CA -1.023 57.160 58.200 -0.030 0.000 0.995 1466 S CB 1.969 65.115 63.200 -0.089 0.000 1.084 1466 S HN 0.443 nan 8.310 nan 0.000 0.507 1467 c N 1.993 120.569 118.600 -0.041 0.000 2.482 1467 c HA 0.821 5.391 4.570 0.000 0.000 0.317 1467 c C -0.562 173.496 174.090 -0.053 0.000 1.197 1467 c CA 0.050 56.374 56.329 -0.008 0.000 1.432 1467 c CB 0.620 43.166 42.510 0.060 0.000 2.062 1467 c HN 1.003 nan 8.230 nan 0.000 0.471 1468 T N 5.154 119.664 114.554 -0.073 0.000 2.841 1468 T HA 0.598 4.948 4.350 0.000 0.000 0.285 1468 T C -0.614 173.935 174.700 -0.251 0.000 0.991 1468 T CA -0.485 61.506 62.100 -0.183 0.000 0.966 1468 T CB 1.302 70.026 68.868 -0.239 0.000 0.962 1468 T HN 0.621 nan 8.240 nan 0.000 0.438 1469 R N 1.289 121.615 120.500 -0.290 0.000 2.832 1469 R HA 0.828 5.168 4.340 0.000 0.000 0.271 1469 R C -1.242 174.830 176.300 -0.381 0.000 0.996 1469 R CA -0.928 55.044 56.100 -0.213 0.000 0.977 1469 R CB 0.852 31.137 30.300 -0.026 0.000 1.168 1469 R HN 0.499 nan 8.270 nan 0.000 0.482 1470 F N 0.930 120.936 119.950 0.094 0.000 2.613 1470 F HA 0.578 5.105 4.527 0.000 0.000 0.342 1470 F C -0.512 175.392 175.800 0.172 0.000 1.066 1470 F CA -0.675 57.374 58.000 0.083 0.000 1.002 1470 F CB 1.280 40.276 39.000 -0.008 0.000 1.319 1470 F HN 0.443 nan 8.300 nan 0.000 0.495 1471 Y N -0.832 119.591 120.300 0.204 0.000 2.442 1471 Y HA 0.602 5.152 4.550 0.000 0.000 0.330 1471 Y C -1.672 174.288 175.900 0.100 0.000 1.100 1471 Y CA -0.954 57.202 58.100 0.094 0.000 1.034 1471 Y CB 1.189 39.645 38.460 -0.006 0.000 1.285 1471 Y HN 0.723 nan 8.280 nan 0.000 0.440 1472 H N 4.625 123.718 119.070 0.038 0.000 2.865 1472 H HA 0.338 4.894 4.556 0.000 0.000 0.362 1472 H C -2.603 172.723 175.328 -0.004 0.000 1.114 1472 H CA -2.334 53.690 56.048 -0.041 0.000 1.208 1472 H CB 3.281 33.004 29.762 -0.066 0.000 1.727 1472 H HN 0.510 nan 8.280 nan 0.000 0.534 1473 P HA -0.074 nan 4.420 nan 0.000 0.223 1473 P C 0.244 177.579 177.300 0.058 0.000 1.144 1473 P CA 1.321 64.347 63.100 -0.122 0.000 0.783 1473 P CB 0.675 32.236 31.700 -0.230 0.000 0.771 1474 E N -1.403 118.997 120.200 0.332 0.000 2.870 1474 E HA 0.115 4.465 4.350 0.000 0.000 0.185 1474 E C 0.291 176.988 176.600 0.162 0.000 1.084 1474 E CA -0.308 56.240 56.400 0.246 0.000 1.246 1474 E CB -0.080 29.765 29.700 0.241 0.000 1.382 1474 E HN 0.076 nan 8.360 nan 0.000 0.492 1475 K N 1.915 122.369 120.400 0.090 0.000 2.455 1475 K HA -0.099 4.221 4.320 0.000 0.000 0.269 1475 K C 0.814 177.421 176.600 0.012 0.000 0.972 1475 K CA 0.075 56.313 56.287 -0.081 0.000 0.938 1475 K CB 0.506 32.818 32.500 -0.314 0.000 0.931 1475 K HN 0.049 nan 8.250 nan 0.000 0.507 1476 E N 1.953 122.147 120.200 -0.010 0.000 2.041 1476 E HA -0.267 4.083 4.350 0.000 0.000 0.227 1476 E C 0.313 176.943 176.600 0.050 0.000 1.039 1476 E CA 2.516 58.926 56.400 0.017 0.000 0.904 1476 E CB 0.039 29.741 29.700 0.004 0.000 0.808 1476 E HN 0.758 nan 8.360 nan 0.000 0.510 1477 D N -2.688 117.746 120.400 0.056 0.000 2.908 1477 D HA 0.268 4.908 4.640 0.000 0.000 0.361 1477 D C 0.784 177.174 176.300 0.151 0.000 1.416 1477 D CA 0.421 54.488 54.000 0.112 0.000 0.796 1477 D CB 0.384 41.252 40.800 0.112 0.000 1.185 1477 D HN 0.484 nan 8.370 nan 0.000 0.451 1478 G N 0.540 109.389 108.800 0.082 0.000 2.317 1478 G HA2 -0.311 3.649 3.960 0.000 0.000 0.227 1478 G HA3 -0.311 3.649 3.960 0.000 0.000 0.227 1478 G C 0.301 175.079 174.900 -0.203 0.000 1.042 1478 G CA -0.239 44.869 45.100 0.013 0.000 0.623 1478 G HN 0.374 nan 8.290 nan 0.000 0.509 1479 K N 1.950 122.254 120.400 -0.161 0.000 2.453 1479 K HA 0.438 4.758 4.320 0.000 0.000 0.280 1479 K C 1.220 177.704 176.600 -0.193 0.000 1.045 1479 K CA 0.051 56.212 56.287 -0.209 0.000 1.059 1479 K CB 0.027 32.466 32.500 -0.101 0.000 0.901 1479 K HN 0.458 nan 8.250 nan 0.000 0.475 1480 L N 2.925 124.016 121.223 -0.220 0.000 2.499 1480 L HA -0.027 4.313 4.340 0.000 0.000 0.281 1480 L C 0.778 177.567 176.870 -0.136 0.000 1.234 1480 L CA -0.030 54.700 54.840 -0.184 0.000 0.839 1480 L CB 0.239 42.198 42.059 -0.167 0.000 1.104 1480 L HN 0.613 nan 8.230 nan 0.000 0.500 1481 N N 2.081 120.706 118.700 -0.124 0.000 2.652 1481 N HA 0.008 4.748 4.740 0.000 0.000 0.259 1481 N C -0.261 175.202 175.510 -0.077 0.000 1.240 1481 N CA 0.017 53.012 53.050 -0.091 0.000 0.951 1481 N CB -0.385 38.053 38.487 -0.083 0.000 1.281 1481 N HN 0.493 nan 8.380 nan 0.000 0.507 1482 K N -0.125 120.225 120.400 -0.085 0.000 2.412 1482 K HA 0.085 4.405 4.320 0.000 0.000 0.281 1482 K C 0.071 176.615 176.600 -0.094 0.000 1.027 1482 K CA -0.623 55.614 56.287 -0.085 0.000 0.989 1482 K CB 0.858 33.308 32.500 -0.084 0.000 0.935 1482 K HN -0.051 nan 8.250 nan 0.000 0.475 1483 L N 4.230 125.386 121.223 -0.112 0.000 2.367 1483 L HA 0.243 4.584 4.340 0.000 0.000 0.275 1483 L C -0.882 175.858 176.870 -0.218 0.000 1.129 1483 L CA 0.217 54.965 54.840 -0.153 0.000 0.839 1483 L CB 0.730 42.695 42.059 -0.157 0.000 1.133 1483 L HN 0.958 nan 8.230 nan 0.000 0.453 1484 c N 6.106 124.556 118.600 -0.250 0.000 3.173 1484 c HA 0.777 5.347 4.570 0.000 0.000 0.310 1484 c C -0.907 173.000 174.090 -0.306 0.000 1.306 1484 c CA -0.697 55.493 56.329 -0.231 0.000 1.426 1484 c CB 1.816 44.243 42.510 -0.138 0.000 1.800 1484 c HN 0.972 nan 8.230 nan 0.000 0.470 1485 R N 2.583 122.972 120.500 -0.185 0.000 2.604 1485 R HA 0.384 4.724 4.340 0.000 0.000 0.270 1485 R C -0.254 176.034 176.300 -0.019 0.000 1.052 1485 R CA -0.142 55.862 56.100 -0.161 0.000 0.902 1485 R CB 1.768 31.964 30.300 -0.173 0.000 1.233 1485 R HN 1.099 nan 8.270 nan 0.000 0.455 1486 D N 0.998 121.383 120.400 -0.024 0.000 4.541 1486 D HA -0.279 4.361 4.640 0.000 0.000 0.209 1486 D C 0.393 176.694 176.300 0.002 0.000 0.584 1486 D CA 2.438 56.439 54.000 0.002 0.000 1.297 1486 D CB -0.273 40.540 40.800 0.021 0.000 0.807 1486 D HN 0.684 nan 8.370 nan 0.000 0.433 1487 E N -1.333 118.878 120.200 0.018 0.000 2.653 1487 E HA 0.195 4.545 4.350 0.000 0.000 0.218 1487 E C -0.237 176.382 176.600 0.032 0.000 0.911 1487 E CA -0.294 56.113 56.400 0.012 0.000 1.355 1487 E CB 0.599 30.301 29.700 0.004 0.000 1.314 1487 E HN 0.338 nan 8.360 nan 0.000 0.686 1488 L N 2.023 123.299 121.223 0.088 0.000 2.257 1488 L HA 0.318 4.658 4.340 0.000 0.000 0.290 1488 L C -0.423 176.550 176.870 0.171 0.000 1.044 1488 L CA -0.321 54.622 54.840 0.172 0.000 0.810 1488 L CB 0.320 42.544 42.059 0.274 0.000 1.193 1488 L HN -0.025 nan 8.230 nan 0.000 0.425 1489 c N 4.052 122.687 118.600 0.059 0.000 2.564 1489 c HA 0.807 5.377 4.570 0.000 0.000 0.381 1489 c C 0.003 174.034 174.090 -0.098 0.000 1.297 1489 c CA -1.038 55.253 56.329 -0.062 0.000 1.846 1489 c CB 1.958 44.426 42.510 -0.069 0.000 2.198 1489 c HN 0.859 nan 8.230 nan 0.000 0.507 1490 R N -0.181 120.223 120.500 -0.160 0.000 2.522 1490 R HA 0.375 4.715 4.340 0.000 0.000 0.273 1490 R C -1.101 175.138 176.300 -0.101 0.000 1.133 1490 R CA -0.310 55.709 56.100 -0.135 0.000 0.969 1490 R CB 1.100 31.262 30.300 -0.229 0.000 1.235 1490 R HN 1.006 nan 8.270 nan 0.000 0.433 1491 c N 4.171 122.742 118.600 -0.049 0.000 2.517 1491 c HA 0.206 4.776 4.570 0.000 0.000 0.403 1491 c C 1.612 175.682 174.090 -0.034 0.000 1.467 1491 c CA 0.736 57.048 56.329 -0.028 0.000 1.542 1491 c CB -0.670 41.853 42.510 0.021 0.000 2.482 1491 c HN 0.871 nan 8.230 nan 0.000 0.610 1492 A N 4.413 127.204 122.820 -0.048 0.000 1.887 1492 A HA 0.155 4.475 4.320 0.000 0.000 0.210 1492 A C 1.224 178.787 177.584 -0.034 0.000 1.221 1492 A CA 0.258 52.269 52.037 -0.045 0.000 0.635 1492 A CB -0.566 18.401 19.000 -0.054 0.000 0.881 1492 A HN 0.878 nan 8.150 nan 0.000 0.456 1493 E N 1.861 122.034 120.200 -0.045 0.000 1.852 1493 E HA -0.132 4.218 4.350 0.000 0.000 0.244 1493 E C -0.711 175.870 176.600 -0.032 0.000 0.575 1493 E CA 1.009 57.380 56.400 -0.047 0.000 0.826 1493 E CB -0.996 28.672 29.700 -0.052 0.000 0.903 1493 E HN 0.663 nan 8.360 nan 0.000 0.344 1494 E N 1.143 121.321 120.200 -0.037 0.000 2.354 1494 E HA 0.173 4.523 4.350 0.000 0.000 0.283 1494 E C -0.812 175.754 176.600 -0.057 0.000 0.938 1494 E CA -0.830 55.550 56.400 -0.034 0.000 0.777 1494 E CB 1.048 30.739 29.700 -0.015 0.000 1.222 1494 E HN 0.097 nan 8.360 nan 0.000 0.423 1495 N N 2.078 120.733 118.700 -0.074 0.000 2.381 1495 N HA -0.066 4.674 4.740 0.000 0.000 0.288 1495 N C 0.748 176.152 175.510 -0.175 0.000 1.346 1495 N CA 0.228 53.196 53.050 -0.137 0.000 0.970 1495 N CB -0.087 38.316 38.487 -0.140 0.000 1.351 1495 N HN 0.589 nan 8.380 nan 0.000 0.488 1496 c N 1.631 120.117 118.600 -0.189 0.000 2.283 1496 c HA -0.257 4.313 4.570 0.000 0.000 0.248 1496 c C 0.916 175.001 174.090 -0.008 0.000 1.052 1496 c CA 1.412 57.674 56.329 -0.111 0.000 1.852 1496 c CB -1.498 40.928 42.510 -0.140 0.000 1.991 1496 c HN 0.809 nan 8.230 nan 0.000 0.408 1497 F N -0.606 119.285 119.950 -0.100 0.000 2.588 1497 F HA 0.629 5.156 4.527 0.000 0.000 0.318 1497 F C 0.439 176.150 175.800 -0.148 0.000 1.155 1497 F CA -1.527 56.389 58.000 -0.140 0.000 0.967 1497 F CB 0.056 38.912 39.000 -0.239 0.000 1.236 1497 F HN 0.278 nan 8.300 nan 0.000 0.455 1498 I N -0.669 119.933 120.570 0.053 0.000 4.904 1498 I HA -0.341 3.829 4.170 0.000 0.000 0.039 1498 I C -0.389 175.706 176.117 -0.037 0.000 0.635 1498 I CA 1.683 63.026 61.300 0.071 0.000 0.252 1498 I CB -1.308 36.830 38.000 0.229 0.000 0.341 1498 I HN 1.167 nan 8.210 nan 0.000 0.158 1499 Q N 1.907 121.695 119.800 -0.021 0.000 2.791 1499 Q HA 0.284 4.624 4.340 0.000 0.000 0.280 1499 Q C -1.193 174.796 176.000 -0.018 0.000 0.928 1499 Q CA -0.271 55.506 55.803 -0.043 0.000 0.819 1499 Q CB 1.315 30.053 28.738 0.001 0.000 1.552 1499 Q HN 0.670 nan 8.270 nan 0.000 0.410 1500 K N 1.320 121.710 120.400 -0.016 0.000 6.098 1500 K HA -0.122 4.198 4.320 0.000 0.000 0.538 1500 K C -0.015 176.554 176.600 -0.051 0.000 1.338 1500 K CA 0.998 57.290 56.287 0.009 0.000 1.473 1500 K CB -1.471 31.076 32.500 0.079 0.000 1.815 1500 K HN 0.777 nan 8.250 nan 0.000 0.359 1501 S N 0.342 116.047 115.700 0.009 0.000 2.660 1501 S HA 0.113 4.583 4.470 0.000 0.000 0.227 1501 S C 0.376 174.950 174.600 -0.044 0.000 0.948 1501 S CA -0.031 58.156 58.200 -0.022 0.000 0.948 1501 S CB 0.417 63.617 63.200 0.001 0.000 0.779 1501 S HN 0.548 nan 8.310 nan 0.000 0.487 1502 D N -0.292 120.099 120.400 -0.015 0.000 2.738 1502 D HA 0.098 4.738 4.640 0.000 0.000 0.345 1502 D C 0.387 176.691 176.300 0.008 0.000 1.465 1502 D CA 0.004 54.001 54.000 -0.005 0.000 0.935 1502 D CB 0.024 40.814 40.800 -0.016 0.000 1.543 1502 D HN 0.143 nan 8.370 nan 0.000 0.399 1503 D N 1.237 121.644 120.400 0.012 0.000 2.095 1503 D HA -0.036 4.604 4.640 0.000 0.000 0.192 1503 D C -0.049 176.266 176.300 0.025 0.000 0.990 1503 D CA 1.448 55.458 54.000 0.016 0.000 0.836 1503 D CB 0.411 41.222 40.800 0.017 0.000 0.979 1503 D HN 0.027 nan 8.370 nan 0.000 0.447 1504 K N -0.650 119.775 120.400 0.042 0.000 2.690 1504 K HA 0.379 4.699 4.320 0.000 0.000 0.264 1504 K C -1.555 175.091 176.600 0.076 0.000 1.040 1504 K CA -0.492 55.824 56.287 0.047 0.000 0.946 1504 K CB 2.879 35.403 32.500 0.039 0.000 1.268 1504 K HN -0.020 nan 8.250 nan 0.000 0.473 1505 V N -0.237 119.723 119.914 0.076 0.000 2.577 1505 V HA 0.730 4.850 4.120 0.000 0.000 0.303 1505 V C -0.116 176.010 176.094 0.054 0.000 1.042 1505 V CA -0.422 61.940 62.300 0.103 0.000 0.872 1505 V CB 1.373 33.305 31.823 0.182 0.000 0.998 1505 V HN 0.753 nan 8.190 nan 0.000 0.423 1506 T N 1.754 116.332 114.554 0.040 0.000 2.870 1506 T HA 0.541 4.891 4.350 0.000 0.000 0.277 1506 T C 0.922 175.628 174.700 0.011 0.000 1.000 1506 T CA -0.335 61.778 62.100 0.021 0.000 0.982 1506 T CB 1.757 70.637 68.868 0.021 0.000 1.249 1506 T HN 0.672 nan 8.240 nan 0.000 0.589 1507 L N 0.032 121.268 121.223 0.022 0.000 2.217 1507 L HA 0.031 4.371 4.340 0.000 0.000 0.211 1507 L C 2.309 179.212 176.870 0.056 0.000 1.107 1507 L CA 1.445 56.316 54.840 0.052 0.000 0.783 1507 L CB -0.299 41.796 42.059 0.059 0.000 0.919 1507 L HN 0.716 nan 8.230 nan 0.000 0.442 1508 E N -0.517 119.698 120.200 0.026 0.000 2.170 1508 E HA -0.131 4.219 4.350 0.000 0.000 0.191 1508 E C 1.992 178.589 176.600 -0.005 0.000 0.981 1508 E CA 0.462 56.869 56.400 0.011 0.000 0.830 1508 E CB 0.030 29.733 29.700 0.004 0.000 0.775 1508 E HN 0.298 nan 8.360 nan 0.000 0.470 1509 E N 0.592 120.788 120.200 -0.007 0.000 2.204 1509 E HA -0.109 4.241 4.350 0.000 0.000 0.194 1509 E C 1.825 178.372 176.600 -0.089 0.000 0.989 1509 E CA 0.764 57.154 56.400 -0.017 0.000 0.824 1509 E CB -0.006 29.709 29.700 0.025 0.000 0.756 1509 E HN 0.274 nan 8.360 nan 0.000 0.477 1510 R N 0.036 120.461 120.500 -0.126 0.000 2.090 1510 R HA 0.152 4.492 4.340 0.000 0.000 0.219 1510 R C 2.599 178.815 176.300 -0.140 0.000 1.100 1510 R CA 0.299 56.225 56.100 -0.290 0.000 0.991 1510 R CB -0.236 29.759 30.300 -0.508 0.000 0.893 1510 R HN 0.084 nan 8.270 nan 0.000 0.443 1511 L N 1.123 122.386 121.223 0.067 0.000 2.261 1511 L HA -0.195 4.145 4.340 0.000 0.000 0.216 1511 L C 1.194 178.011 176.870 -0.088 0.000 1.114 1511 L CA 1.013 55.880 54.840 0.044 0.000 0.777 1511 L CB -0.332 41.738 42.059 0.017 0.000 0.910 1511 L HN 0.183 nan 8.230 nan 0.000 0.440 1512 D N -0.226 120.116 120.400 -0.097 0.000 2.201 1512 D HA -0.073 4.567 4.640 0.000 0.000 0.209 1512 D C 1.996 178.215 176.300 -0.136 0.000 0.961 1512 D CA 0.946 54.887 54.000 -0.098 0.000 0.861 1512 D CB 0.078 40.844 40.800 -0.057 0.000 0.997 1512 D HN 0.173 nan 8.370 nan 0.000 0.486 1513 K N 0.305 120.600 120.400 -0.175 0.000 2.459 1513 K HA 0.200 4.520 4.320 0.000 0.000 0.193 1513 K C 1.198 177.533 176.600 -0.442 0.000 1.030 1513 K CA 0.275 56.460 56.287 -0.170 0.000 1.026 1513 K CB 0.497 32.966 32.500 -0.051 0.000 0.809 1513 K HN -0.028 nan 8.250 nan 0.000 0.504 1514 A N -0.326 122.106 122.820 -0.648 0.000 2.430 1514 A HA 0.089 4.409 4.320 0.000 0.000 0.243 1514 A C 1.039 178.337 177.584 -0.476 0.000 1.254 1514 A CA -0.100 51.364 52.037 -0.955 0.000 0.914 1514 A CB 0.056 18.461 19.000 -0.991 0.000 0.998 1514 A HN 0.291 nan 8.150 nan 0.000 0.515 1515 c N 0.424 118.844 118.600 -0.299 0.000 3.240 1515 c HA 0.273 4.843 4.570 0.000 0.000 0.271 1515 c C 0.692 174.707 174.090 -0.125 0.000 1.534 1515 c CA -0.777 55.440 56.329 -0.186 0.000 1.796 1515 c CB -1.165 41.255 42.510 -0.149 0.000 2.892 1515 c HN 0.565 nan 8.230 nan 0.000 0.566 1516 E N 1.975 122.100 120.200 -0.125 0.000 2.391 1516 E HA 0.082 4.432 4.350 0.000 0.000 0.255 1516 E C -1.425 175.156 176.600 -0.032 0.000 1.187 1516 E CA -0.944 55.422 56.400 -0.058 0.000 0.941 1516 E CB 0.559 30.242 29.700 -0.029 0.000 1.010 1516 E HN 0.074 nan 8.360 nan 0.000 0.458 1517 P HA -0.195 nan 4.420 nan 0.000 0.211 1517 P C 1.275 178.595 177.300 0.034 0.000 1.181 1517 P CA 1.564 64.674 63.100 0.017 0.000 0.929 1517 P CB -0.198 31.519 31.700 0.028 0.000 0.789 1518 G N -0.483 108.349 108.800 0.053 0.000 2.501 1518 G HA2 -0.162 3.798 3.960 0.000 0.000 0.220 1518 G HA3 -0.162 3.798 3.960 0.000 0.000 0.220 1518 G C 0.363 175.311 174.900 0.081 0.000 1.114 1518 G CA 0.140 45.289 45.100 0.083 0.000 0.757 1518 G HN 0.217 nan 8.290 nan 0.000 0.559 1519 V N 1.751 121.682 119.914 0.029 0.000 2.486 1519 V HA -0.021 4.099 4.120 0.000 0.000 0.290 1519 V C 1.178 177.282 176.094 0.018 0.000 0.991 1519 V CA 1.134 63.419 62.300 -0.024 0.000 1.142 1519 V CB 0.842 32.581 31.823 -0.139 0.000 0.926 1519 V HN 0.471 nan 8.190 nan 0.000 0.472 1520 D N 4.013 124.449 120.400 0.059 0.000 2.766 1520 D HA 0.040 4.680 4.640 0.000 0.000 0.284 1520 D C 0.195 176.632 176.300 0.227 0.000 1.050 1520 D CA 0.273 54.393 54.000 0.200 0.000 0.945 1520 D CB 0.761 41.801 40.800 0.400 0.000 1.272 1520 D HN 0.570 nan 8.370 nan 0.000 0.482 1521 Y N -0.055 120.322 120.300 0.129 0.000 2.462 1521 Y HA 0.666 5.216 4.550 0.000 0.000 0.346 1521 Y C -1.274 174.491 175.900 -0.224 0.000 0.976 1521 Y CA -1.241 56.813 58.100 -0.076 0.000 1.044 1521 Y CB 1.897 40.418 38.460 0.103 0.000 1.230 1521 Y HN -0.267 nan 8.280 nan 0.000 0.455 1522 V N 4.635 124.277 119.914 -0.453 0.000 2.567 1522 V HA 0.416 4.536 4.120 0.000 0.000 0.298 1522 V C -1.479 174.444 176.094 -0.284 0.000 1.047 1522 V CA -0.867 61.318 62.300 -0.192 0.000 0.880 1522 V CB 0.680 32.526 31.823 0.039 0.000 1.009 1522 V HN 0.782 nan 8.190 nan 0.000 0.429 1523 Y N 1.724 122.232 120.300 0.347 0.000 2.576 1523 Y HA 0.576 5.126 4.550 0.000 0.000 0.346 1523 Y C 0.086 176.090 175.900 0.174 0.000 1.018 1523 Y CA -1.514 56.724 58.100 0.229 0.000 1.050 1523 Y CB 2.045 40.622 38.460 0.195 0.000 1.280 1523 Y HN 0.487 nan 8.280 nan 0.000 0.474 1524 K N 2.336 122.870 120.400 0.223 0.000 2.357 1524 K HA 0.364 4.684 4.320 0.000 0.000 0.251 1524 K C -0.786 175.808 176.600 -0.010 0.000 1.069 1524 K CA -0.249 56.033 56.287 -0.009 0.000 0.994 1524 K CB 0.148 32.437 32.500 -0.352 0.000 1.411 1524 K HN 0.888 nan 8.250 nan 0.000 0.450 1525 T N 0.354 114.938 114.554 0.050 0.000 2.927 1525 T HA 0.405 4.755 4.350 0.000 0.000 0.281 1525 T C -0.218 174.483 174.700 0.003 0.000 0.998 1525 T CA -0.981 61.133 62.100 0.023 0.000 1.019 1525 T CB 1.650 70.516 68.868 -0.004 0.000 1.061 1525 T HN 0.526 nan 8.240 nan 0.000 0.518 1526 R N 1.369 121.843 120.500 -0.043 0.000 2.451 1526 R HA 0.438 4.778 4.340 0.000 0.000 0.307 1526 R C -1.185 175.070 176.300 -0.075 0.000 0.965 1526 R CA -0.968 55.041 56.100 -0.151 0.000 0.865 1526 R CB 1.067 31.206 30.300 -0.267 0.000 1.174 1526 R HN 0.614 nan 8.270 nan 0.000 0.455 1527 L N 6.079 127.288 121.223 -0.024 0.000 2.500 1527 L HA 0.056 4.396 4.340 0.000 0.000 0.272 1527 L C 0.125 176.995 176.870 -0.000 0.000 1.149 1527 L CA 0.713 55.558 54.840 0.009 0.000 0.897 1527 L CB 1.309 43.394 42.059 0.043 0.000 1.178 1527 L HN 0.621 nan 8.230 nan 0.000 0.473 1528 V N 4.103 124.026 119.914 0.014 0.000 2.581 1528 V HA 0.164 4.284 4.120 0.000 0.000 0.240 1528 V C 0.859 176.964 176.094 0.019 0.000 1.054 1528 V CA 0.680 62.984 62.300 0.006 0.000 1.076 1528 V CB -0.341 31.486 31.823 0.007 0.000 0.748 1528 V HN 0.790 nan 8.190 nan 0.000 0.474 1529 K N 0.148 120.569 120.400 0.034 0.000 2.422 1529 K HA 0.626 4.946 4.320 0.000 0.000 0.251 1529 K C -1.898 174.722 176.600 0.032 0.000 0.933 1529 K CA -0.426 55.876 56.287 0.024 0.000 0.798 1529 K CB 2.613 35.119 32.500 0.010 0.000 1.238 1529 K HN -0.013 nan 8.250 nan 0.000 0.428 1530 V N 4.450 124.368 119.914 0.006 0.000 2.357 1530 V HA 0.280 4.400 4.120 0.000 0.000 0.281 1530 V C -0.641 175.386 176.094 -0.111 0.000 1.015 1530 V CA -0.784 61.495 62.300 -0.035 0.000 0.827 1530 V CB 1.232 33.080 31.823 0.042 0.000 1.018 1530 V HN 0.779 nan 8.190 nan 0.000 0.432 1531 Q N 3.609 123.294 119.800 -0.191 0.000 2.215 1531 Q HA 0.804 5.144 4.340 0.000 0.000 0.256 1531 Q C -1.126 174.702 176.000 -0.287 0.000 0.972 1531 Q CA -0.802 54.884 55.803 -0.195 0.000 0.889 1531 Q CB 3.184 31.820 28.738 -0.169 0.000 1.281 1531 Q HN 0.584 nan 8.270 nan 0.000 0.456 1532 L N 0.625 121.711 121.223 -0.227 0.000 2.505 1532 L HA 0.404 4.745 4.340 0.000 0.000 0.266 1532 L C -1.210 175.555 176.870 -0.175 0.000 0.954 1532 L CA -0.136 54.564 54.840 -0.235 0.000 0.852 1532 L CB 2.304 44.266 42.059 -0.161 0.000 1.282 1532 L HN 0.628 nan 8.230 nan 0.000 0.403 1533 S N 1.514 117.094 115.700 -0.200 0.000 2.786 1533 S HA 0.352 4.822 4.470 0.000 0.000 0.307 1533 S C 0.434 175.036 174.600 0.002 0.000 1.121 1533 S CA -0.643 57.512 58.200 -0.076 0.000 0.975 1533 S CB 1.549 64.732 63.200 -0.029 0.000 1.220 1533 S HN 0.721 nan 8.310 nan 0.000 0.550 1534 N N 0.818 119.551 118.700 0.055 0.000 2.412 1534 N HA 0.001 4.741 4.740 0.000 0.000 0.184 1534 N C 0.045 175.608 175.510 0.088 0.000 1.101 1534 N CA 0.638 53.721 53.050 0.055 0.000 0.881 1534 N CB -0.059 38.453 38.487 0.042 0.000 0.969 1534 N HN 0.657 nan 8.380 nan 0.000 0.459 1535 D N -1.768 118.739 120.400 0.179 0.000 2.520 1535 D HA 0.162 4.802 4.640 0.000 0.000 0.223 1535 D C -0.049 176.462 176.300 0.351 0.000 1.186 1535 D CA -0.363 53.750 54.000 0.188 0.000 0.821 1535 D CB -0.136 40.727 40.800 0.104 0.000 1.072 1535 D HN 0.252 nan 8.370 nan 0.000 0.518 1536 F N -0.746 119.181 119.950 -0.038 0.000 2.780 1536 F HA 0.361 4.888 4.527 0.000 0.000 0.320 1536 F C -2.133 173.627 175.800 -0.067 0.000 1.118 1536 F CA -1.618 56.353 58.000 -0.047 0.000 0.964 1536 F CB 0.637 39.606 39.000 -0.052 0.000 1.249 1536 F HN -0.162 nan 8.300 nan 0.000 0.455 1537 D N 0.759 120.990 120.400 -0.282 0.000 2.487 1537 D HA 0.716 5.356 4.640 0.000 0.000 0.262 1537 D C -1.138 174.809 176.300 -0.588 0.000 1.130 1537 D CA -0.262 53.449 54.000 -0.481 0.000 1.038 1537 D CB 1.743 42.336 40.800 -0.346 0.000 1.142 1537 D HN 0.916 nan 8.370 nan 0.000 0.575 1538 E N -2.367 117.390 120.200 -0.739 0.000 2.423 1538 E HA 0.488 4.838 4.350 0.000 0.000 0.280 1538 E C -1.602 174.510 176.600 -0.814 0.000 1.030 1538 E CA -1.085 54.974 56.400 -0.570 0.000 0.812 1538 E CB 1.165 30.659 29.700 -0.344 0.000 1.313 1538 E HN 0.480 nan 8.360 nan 0.000 0.456 1539 Y N 0.369 120.685 120.300 0.026 0.000 2.315 1539 Y HA 0.379 4.929 4.550 0.000 0.000 0.324 1539 Y C -0.441 175.512 175.900 0.089 0.000 1.062 1539 Y CA -0.883 57.227 58.100 0.016 0.000 1.159 1539 Y CB 1.536 39.964 38.460 -0.053 0.000 1.145 1539 Y HN 0.409 nan 8.280 nan 0.000 0.442 1540 I N 5.260 125.928 120.570 0.163 0.000 2.293 1540 I HA 0.214 4.384 4.170 0.000 0.000 0.299 1540 I C -0.317 175.875 176.117 0.126 0.000 1.153 1540 I CA 0.370 61.756 61.300 0.143 0.000 1.302 1540 I CB -0.148 37.897 38.000 0.076 0.000 1.460 1540 I HN 0.512 nan 8.210 nan 0.000 0.552 1541 M N 4.874 124.571 119.600 0.162 0.000 2.404 1541 M HA 0.603 5.083 4.480 0.000 0.000 0.338 1541 M C -0.058 176.285 176.300 0.071 0.000 1.150 1541 M CA -0.499 54.843 55.300 0.071 0.000 1.016 1541 M CB 2.079 34.651 32.600 -0.047 0.000 1.672 1541 M HN 0.518 nan 8.290 nan 0.000 0.448 1542 A N 3.948 126.780 122.820 0.021 0.000 2.276 1542 A HA 0.670 4.990 4.320 0.000 0.000 0.316 1542 A C -0.302 177.276 177.584 -0.011 0.000 1.229 1542 A CA -0.699 51.342 52.037 0.007 0.000 0.851 1542 A CB 0.249 19.249 19.000 -0.001 0.000 1.165 1542 A HN 0.899 nan 8.150 nan 0.000 0.513 1543 I N 2.489 123.038 120.570 -0.036 0.000 2.517 1543 I HA 0.049 4.219 4.170 0.000 0.000 0.285 1543 I C 0.908 177.013 176.117 -0.020 0.000 1.106 1543 I CA 0.291 61.561 61.300 -0.050 0.000 1.402 1543 I CB 0.792 38.687 38.000 -0.174 0.000 1.399 1543 I HN 0.847 nan 8.210 nan 0.000 0.535 1544 E N 5.193 125.388 120.200 -0.007 0.000 2.447 1544 E HA -0.004 4.346 4.350 0.000 0.000 0.195 1544 E C -0.156 176.436 176.600 -0.014 0.000 1.028 1544 E CA 0.177 56.565 56.400 -0.019 0.000 0.876 1544 E CB 0.420 30.095 29.700 -0.042 0.000 0.885 1544 E HN 0.702 nan 8.360 nan 0.000 0.500 1545 Q N -0.447 119.369 119.800 0.026 0.000 2.574 1545 Q HA 0.171 4.511 4.340 0.000 0.000 0.265 1545 Q C -1.123 174.989 176.000 0.187 0.000 0.975 1545 Q CA -0.768 55.075 55.803 0.066 0.000 0.923 1545 Q CB 0.779 29.530 28.738 0.022 0.000 1.518 1545 Q HN -0.057 nan 8.270 nan 0.000 0.401 1546 T N 0.548 115.229 114.554 0.212 0.000 3.016 1546 T HA 0.404 4.754 4.350 0.000 0.000 0.335 1546 T C 1.014 175.853 174.700 0.231 0.000 1.176 1546 T CA -0.608 61.713 62.100 0.369 0.000 0.987 1546 T CB -0.299 68.771 68.868 0.337 0.000 1.073 1546 T HN 0.652 nan 8.240 nan 0.000 0.547 1547 I N 0.903 121.593 120.570 0.200 0.000 2.264 1547 I HA -0.027 4.143 4.170 0.000 0.000 0.248 1547 I C 1.412 177.560 176.117 0.053 0.000 1.111 1547 I CA 1.170 62.531 61.300 0.103 0.000 1.382 1547 I CB -0.008 38.065 38.000 0.121 0.000 1.060 1547 I HN 0.524 nan 8.210 nan 0.000 0.418 1548 K N 0.899 121.326 120.400 0.046 0.000 2.687 1548 K HA 0.272 4.592 4.320 0.000 0.000 0.249 1548 K C -0.952 175.710 176.600 0.103 0.000 0.994 1548 K CA -0.293 56.016 56.287 0.036 0.000 0.913 1548 K CB 1.422 33.908 32.500 -0.024 0.000 1.202 1548 K HN -0.145 nan 8.250 nan 0.000 0.460 1549 S N 1.719 117.521 115.700 0.171 0.000 2.549 1549 S HA 0.288 4.758 4.470 0.000 0.000 0.283 1549 S C 0.477 175.219 174.600 0.236 0.000 1.320 1549 S CA -0.169 58.184 58.200 0.255 0.000 1.058 1549 S CB 1.352 64.671 63.200 0.197 0.000 0.882 1549 S HN 0.767 nan 8.310 nan 0.000 0.498 1550 G N 1.202 110.205 108.800 0.339 0.000 3.099 1550 G HA2 0.315 4.275 3.960 0.000 0.000 0.151 1550 G HA3 0.315 4.275 3.960 0.000 0.000 0.151 1550 G C 0.660 175.700 174.900 0.233 0.000 1.265 1550 G CA -0.521 44.777 45.100 0.329 0.000 0.981 1550 G HN 0.580 nan 8.290 nan 0.000 0.601 1551 S N -0.114 115.702 115.700 0.193 0.000 2.561 1551 S HA 0.062 4.532 4.470 0.000 0.000 0.225 1551 S C 0.246 174.791 174.600 -0.092 0.000 0.977 1551 S CA 0.374 58.557 58.200 -0.028 0.000 0.926 1551 S CB -0.011 63.061 63.200 -0.214 0.000 0.769 1551 S HN 0.508 nan 8.310 nan 0.000 0.533 1552 D N 2.549 122.994 120.400 0.074 0.000 2.373 1552 D HA 0.107 4.747 4.640 0.000 0.000 0.227 1552 D C -0.567 175.817 176.300 0.141 0.000 1.091 1552 D CA -0.377 53.676 54.000 0.088 0.000 0.840 1552 D CB 0.525 41.496 40.800 0.285 0.000 1.060 1552 D HN -0.074 nan 8.370 nan 0.000 0.502 1553 E N 2.875 123.114 120.200 0.065 0.000 1.881 1553 E HA 0.131 4.481 4.350 0.000 0.000 0.264 1553 E C -0.505 176.134 176.600 0.064 0.000 1.243 1553 E CA -0.141 56.299 56.400 0.067 0.000 0.965 1553 E CB 1.016 30.735 29.700 0.032 0.000 1.055 1553 E HN 0.187 nan 8.360 nan 0.000 0.412 1554 V N 3.471 123.435 119.914 0.083 0.000 2.531 1554 V HA 0.215 4.335 4.120 0.000 0.000 0.301 1554 V C -0.691 175.421 176.094 0.030 0.000 1.034 1554 V CA -0.755 61.569 62.300 0.040 0.000 0.865 1554 V CB 2.063 33.887 31.823 0.002 0.000 0.995 1554 V HN 0.413 nan 8.190 nan 0.000 0.424 1555 Q N 3.296 123.106 119.800 0.018 0.000 2.260 1555 Q HA 0.513 4.853 4.340 0.000 0.000 0.238 1555 Q C -0.416 175.586 176.000 0.002 0.000 0.948 1555 Q CA -0.185 55.629 55.803 0.019 0.000 0.895 1555 Q CB 1.722 30.470 28.738 0.016 0.000 1.218 1555 Q HN 0.690 nan 8.270 nan 0.000 0.470 1556 V N 2.120 122.040 119.914 0.011 0.000 2.450 1556 V HA 0.340 4.460 4.120 0.000 0.000 0.281 1556 V C 1.203 177.295 176.094 -0.003 0.000 1.019 1556 V CA 1.794 64.096 62.300 0.003 0.000 1.062 1556 V CB -0.100 31.731 31.823 0.014 0.000 0.979 1556 V HN 1.012 nan 8.190 nan 0.000 0.477 1557 G N 3.680 112.473 108.800 -0.012 0.000 2.699 1557 G HA2 -0.142 3.818 3.960 0.000 0.000 0.198 1557 G HA3 -0.142 3.818 3.960 0.000 0.000 0.198 1557 G C 0.212 175.108 174.900 -0.007 0.000 1.033 1557 G CA -0.247 44.849 45.100 -0.007 0.000 0.728 1557 G HN 0.570 nan 8.290 nan 0.000 0.484 1558 Q N 0.618 120.413 119.800 -0.010 0.000 2.524 1558 Q HA 0.481 4.821 4.340 0.000 0.000 0.246 1558 Q C -0.056 175.943 176.000 -0.001 0.000 1.063 1558 Q CA 0.470 56.271 55.803 -0.003 0.000 0.945 1558 Q CB 0.378 29.115 28.738 -0.002 0.000 1.292 1558 Q HN 0.506 nan 8.270 nan 0.000 0.518 1559 Q N 1.081 120.891 119.800 0.018 0.000 2.322 1559 Q HA 0.379 4.719 4.340 0.000 0.000 0.265 1559 Q C -0.884 175.155 176.000 0.066 0.000 0.985 1559 Q CA -0.630 55.198 55.803 0.041 0.000 0.849 1559 Q CB 1.521 30.287 28.738 0.046 0.000 1.274 1559 Q HN 0.192 nan 8.270 nan 0.000 0.449 1560 R N 1.749 122.310 120.500 0.102 0.000 2.387 1560 R HA 0.368 4.708 4.340 0.000 0.000 0.314 1560 R C -0.636 175.781 176.300 0.194 0.000 0.958 1560 R CA -0.501 55.681 56.100 0.137 0.000 0.846 1560 R CB 1.581 31.954 30.300 0.121 0.000 1.147 1560 R HN 0.529 nan 8.270 nan 0.000 0.447 1561 T N 4.103 118.746 114.554 0.148 0.000 2.851 1561 T HA 0.319 4.669 4.350 0.000 0.000 0.298 1561 T C -0.116 174.660 174.700 0.128 0.000 0.977 1561 T CA 0.334 62.543 62.100 0.181 0.000 1.126 1561 T CB 0.104 69.051 68.868 0.131 0.000 0.916 1561 T HN 0.172 nan 8.240 nan 0.000 0.529 1562 F N 2.363 122.417 119.950 0.173 0.000 2.480 1562 F HA 0.641 5.168 4.527 0.000 0.000 0.329 1562 F C 0.353 176.260 175.800 0.179 0.000 1.091 1562 F CA -1.186 56.934 58.000 0.201 0.000 0.972 1562 F CB 1.189 40.291 39.000 0.170 0.000 1.150 1562 F HN 0.321 nan 8.300 nan 0.000 0.467 1563 I N 1.565 122.325 120.570 0.317 0.000 2.608 1563 I HA 0.510 4.680 4.170 0.000 0.000 0.295 1563 I C -0.651 175.596 176.117 0.217 0.000 1.049 1563 I CA -0.544 60.887 61.300 0.219 0.000 1.063 1563 I CB 2.271 40.399 38.000 0.214 0.000 1.248 1563 I HN 0.498 nan 8.210 nan 0.000 0.424 1564 S N 5.817 121.628 115.700 0.185 0.000 2.541 1564 S HA 0.622 5.092 4.470 0.000 0.000 0.271 1564 S C -2.821 171.862 174.600 0.138 0.000 1.133 1564 S CA -1.315 56.987 58.200 0.170 0.000 0.876 1564 S CB 2.231 65.571 63.200 0.233 0.000 1.105 1564 S HN 0.167 nan 8.310 nan 0.000 0.470 1565 P HA 0.184 nan 4.420 nan 0.000 0.269 1565 P C 0.738 178.084 177.300 0.075 0.000 1.217 1565 P CA -0.152 63.001 63.100 0.089 0.000 0.783 1565 P CB 0.328 32.051 31.700 0.040 0.000 0.898 1566 I N 1.059 121.669 120.570 0.066 0.000 2.830 1566 I HA -0.155 4.015 4.170 0.000 0.000 0.263 1566 I C 1.279 177.413 176.117 0.029 0.000 1.230 1566 I CA 1.226 62.549 61.300 0.039 0.000 1.480 1566 I CB 0.021 38.044 38.000 0.038 0.000 1.095 1566 I HN 0.286 nan 8.210 nan 0.000 0.455 1567 K N -0.533 119.881 120.400 0.025 0.000 2.426 1567 K HA 0.062 4.382 4.320 0.000 0.000 0.193 1567 K C 1.280 177.892 176.600 0.020 0.000 1.028 1567 K CA 0.247 56.541 56.287 0.012 0.000 1.047 1567 K CB 0.150 32.646 32.500 -0.006 0.000 0.821 1567 K HN 0.340 nan 8.250 nan 0.000 0.513 1568 c N 1.268 119.893 118.600 0.042 0.000 2.525 1568 c HA 0.213 4.783 4.570 0.000 0.000 0.313 1568 c C 1.716 175.855 174.090 0.082 0.000 1.311 1568 c CA -0.434 55.933 56.329 0.064 0.000 1.725 1568 c CB -1.183 41.379 42.510 0.087 0.000 1.926 1568 c HN 0.351 nan 8.230 nan 0.000 0.595 1569 R N 0.772 121.310 120.500 0.064 0.000 2.235 1569 R HA -0.093 4.247 4.340 0.000 0.000 0.213 1569 R C 1.823 178.152 176.300 0.048 0.000 1.059 1569 R CA 0.808 56.949 56.100 0.067 0.000 0.997 1569 R CB 0.018 30.344 30.300 0.044 0.000 0.884 1569 R HN 0.640 nan 8.270 nan 0.000 0.462 1570 E N 0.429 120.654 120.200 0.042 0.000 2.452 1570 E HA 0.069 4.419 4.350 0.000 0.000 0.197 1570 E C 1.426 178.063 176.600 0.062 0.000 1.022 1570 E CA 0.262 56.683 56.400 0.034 0.000 0.890 1570 E CB 0.292 30.003 29.700 0.019 0.000 0.918 1570 E HN 0.264 nan 8.360 nan 0.000 0.496 1571 A N 1.132 124.017 122.820 0.107 0.000 1.848 1571 A HA -0.042 4.278 4.320 0.000 0.000 0.211 1571 A C 0.779 178.488 177.584 0.209 0.000 1.225 1571 A CA 0.710 52.921 52.037 0.290 0.000 0.637 1571 A CB -0.177 19.064 19.000 0.403 0.000 0.867 1571 A HN 0.282 nan 8.150 nan 0.000 0.463 1572 L N 0.552 121.760 121.223 -0.024 0.000 2.353 1572 L HA 0.261 4.601 4.340 0.000 0.000 0.270 1572 L C -0.740 175.997 176.870 -0.221 0.000 1.003 1572 L CA -0.147 54.546 54.840 -0.244 0.000 0.862 1572 L CB 1.179 42.897 42.059 -0.569 0.000 1.221 1572 L HN 0.405 nan 8.230 nan 0.000 0.430 1573 K N 5.263 125.593 120.400 -0.116 0.000 1.985 1573 K HA 0.120 4.440 4.320 0.000 0.000 0.234 1573 K C 0.008 176.541 176.600 -0.113 0.000 1.140 1573 K CA 0.047 56.292 56.287 -0.070 0.000 1.141 1573 K CB -0.120 32.367 32.500 -0.021 0.000 1.165 1573 K HN 0.466 nan 8.250 nan 0.000 0.301 1574 L N 3.211 124.274 121.223 -0.267 0.000 2.617 1574 L HA 0.021 4.361 4.340 0.000 0.000 0.282 1574 L C 0.959 177.801 176.870 -0.048 0.000 1.174 1574 L CA 0.100 54.711 54.840 -0.382 0.000 1.016 1574 L CB -0.532 40.969 42.059 -0.930 0.000 1.337 1574 L HN 0.563 nan 8.230 nan 0.000 0.460 1575 E N 2.349 122.601 120.200 0.086 0.000 2.421 1575 E HA 0.116 4.466 4.350 0.000 0.000 0.253 1575 E C -0.145 176.519 176.600 0.105 0.000 1.277 1575 E CA -0.424 56.035 56.400 0.099 0.000 0.968 1575 E CB 0.767 30.527 29.700 0.102 0.000 1.040 1575 E HN 0.465 nan 8.360 nan 0.000 0.512 1576 E N 1.136 121.375 120.200 0.066 0.000 2.266 1576 E HA 0.096 4.446 4.350 0.000 0.000 0.277 1576 E C -0.592 176.010 176.600 0.004 0.000 1.018 1576 E CA -0.506 55.917 56.400 0.040 0.000 0.840 1576 E CB 1.000 30.716 29.700 0.026 0.000 1.082 1576 E HN 0.359 nan 8.360 nan 0.000 0.395 1577 K N 0.943 121.320 120.400 -0.038 0.000 3.230 1577 K HA -0.170 4.150 4.320 0.000 0.000 0.285 1577 K C -0.780 175.697 176.600 -0.204 0.000 1.196 1577 K CA 1.024 57.243 56.287 -0.113 0.000 0.838 1577 K CB -1.543 30.917 32.500 -0.067 0.000 1.262 1577 K HN 0.528 nan 8.250 nan 0.000 0.492 1578 K N 0.604 120.892 120.400 -0.187 0.000 2.203 1578 K HA 0.376 4.696 4.320 0.000 0.000 0.251 1578 K C 0.051 176.314 176.600 -0.562 0.000 0.944 1578 K CA -0.813 55.280 56.287 -0.324 0.000 0.829 1578 K CB 1.468 33.872 32.500 -0.160 0.000 1.125 1578 K HN 0.113 nan 8.250 nan 0.000 0.430 1579 H N 1.426 120.182 119.070 -0.523 0.000 2.481 1579 H HA 0.291 4.847 4.556 0.000 0.000 0.339 1579 H C -0.843 174.041 175.328 -0.740 0.000 1.131 1579 H CA 0.004 55.771 56.048 -0.468 0.000 1.301 1579 H CB 0.843 30.358 29.762 -0.412 0.000 1.476 1579 H HN 0.460 nan 8.280 nan 0.000 0.529 1580 Y N 0.494 120.811 120.300 0.028 0.000 2.479 1580 Y HA 0.143 4.693 4.550 0.000 0.000 0.338 1580 Y C -0.639 175.338 175.900 0.128 0.000 1.055 1580 Y CA -0.909 57.213 58.100 0.037 0.000 1.023 1580 Y CB 1.697 40.081 38.460 -0.126 0.000 1.287 1580 Y HN 0.369 nan 8.280 nan 0.000 0.447 1581 L N 4.584 126.047 121.223 0.401 0.000 2.264 1581 L HA 0.699 5.039 4.340 0.000 0.000 0.289 1581 L C -1.113 175.888 176.870 0.219 0.000 1.044 1581 L CA -0.262 54.822 54.840 0.407 0.000 0.807 1581 L CB 0.288 42.672 42.059 0.541 0.000 1.192 1581 L HN 0.678 nan 8.230 nan 0.000 0.425 1582 M N 5.190 124.914 119.600 0.207 0.000 2.501 1582 M HA 0.559 5.039 4.480 0.000 0.000 0.293 1582 M C -1.816 174.596 176.300 0.188 0.000 1.192 1582 M CA -0.417 54.925 55.300 0.071 0.000 0.886 1582 M CB 2.415 35.040 32.600 0.042 0.000 1.710 1582 M HN 0.710 nan 8.290 nan 0.000 0.457 1583 W N 0.749 122.073 121.300 0.039 0.000 3.479 1583 W HA 0.869 5.529 4.660 0.000 0.000 0.304 1583 W C -1.227 175.062 176.519 -0.384 0.000 1.243 1583 W CA -0.878 56.248 57.345 -0.364 0.000 1.202 1583 W CB 0.207 29.516 29.460 -0.251 0.000 1.346 1583 W HN 0.788 nan 8.180 nan 0.000 0.539 1584 G N 1.534 109.931 108.800 -0.672 0.000 2.975 1584 G HA2 0.755 4.715 3.960 0.000 0.000 0.291 1584 G HA3 0.755 4.715 3.960 0.000 0.000 0.291 1584 G C -1.558 173.331 174.900 -0.018 0.000 1.334 1584 G CA -1.305 43.724 45.100 -0.119 0.000 0.843 1584 G HN 0.706 nan 8.290 nan 0.000 0.548 1585 L N 0.348 121.684 121.223 0.187 0.000 2.400 1585 L HA 0.348 4.688 4.340 0.000 0.000 0.264 1585 L C 1.883 178.934 176.870 0.303 0.000 1.061 1585 L CA -0.403 54.564 54.840 0.212 0.000 0.799 1585 L CB 1.842 44.006 42.059 0.175 0.000 1.240 1585 L HN 0.706 nan 8.230 nan 0.000 0.461 1586 S N -1.638 114.270 115.700 0.346 0.000 2.489 1586 S HA -0.110 4.360 4.470 0.000 0.000 0.228 1586 S C 1.494 176.376 174.600 0.470 0.000 0.995 1586 S CA 0.606 59.133 58.200 0.545 0.000 0.934 1586 S CB -0.320 63.147 63.200 0.445 0.000 0.771 1586 S HN 0.754 nan 8.310 nan 0.000 0.522 1587 S N 0.797 116.667 115.700 0.284 0.000 2.607 1587 S HA 0.096 4.566 4.470 0.000 0.000 0.224 1587 S C 0.459 175.182 174.600 0.204 0.000 0.969 1587 S CA 0.229 58.566 58.200 0.228 0.000 0.927 1587 S CB -0.240 63.063 63.200 0.171 0.000 0.772 1587 S HN 0.386 nan 8.310 nan 0.000 0.533 1588 D N 0.359 120.862 120.400 0.173 0.000 2.349 1588 D HA 0.308 4.948 4.640 0.000 0.000 0.214 1588 D C -0.276 176.031 176.300 0.012 0.000 1.063 1588 D CA -0.270 53.785 54.000 0.092 0.000 0.847 1588 D CB -0.150 40.719 40.800 0.116 0.000 0.933 1588 D HN 0.353 nan 8.370 nan 0.000 0.513 1589 F N 0.430 120.428 119.950 0.079 0.000 2.506 1589 F HA 0.152 4.679 4.527 0.000 0.000 0.351 1589 F C 0.605 176.510 175.800 0.175 0.000 1.136 1589 F CA 0.030 58.016 58.000 -0.023 0.000 1.298 1589 F CB 0.622 39.575 39.000 -0.079 0.000 1.145 1589 F HN -0.089 nan 8.300 nan 0.000 0.593 1590 W N 3.904 125.232 121.300 0.046 0.000 2.884 1590 W HA 0.459 5.119 4.660 0.000 0.000 0.336 1590 W C -0.203 176.316 176.519 -0.001 0.000 1.038 1590 W CA -0.195 57.158 57.345 0.013 0.000 1.247 1590 W CB 1.583 31.041 29.460 -0.004 0.000 1.351 1590 W HN 0.852 nan 8.180 nan 0.000 0.446 1591 G N 3.628 112.092 108.800 -0.560 0.000 2.447 1591 G HA2 -0.138 3.822 3.960 0.000 0.000 0.220 1591 G HA3 -0.138 3.822 3.960 0.000 0.000 0.220 1591 G C -1.375 173.358 174.900 -0.277 0.000 1.261 1591 G CA -0.839 43.964 45.100 -0.495 0.000 1.000 1591 G HN 0.348 nan 8.290 nan 0.000 0.515 1592 E N 0.648 120.722 120.200 -0.211 0.000 2.222 1592 E HA 0.423 4.773 4.350 0.000 0.000 0.267 1592 E C -0.063 176.464 176.600 -0.122 0.000 0.884 1592 E CA -0.793 55.513 56.400 -0.157 0.000 0.764 1592 E CB 1.803 31.417 29.700 -0.143 0.000 1.169 1592 E HN 0.600 nan 8.360 nan 0.000 0.413 1593 K N 2.069 122.397 120.400 -0.119 0.000 2.469 1593 K HA 0.060 4.380 4.320 0.000 0.000 0.274 1593 K C -1.480 175.076 176.600 -0.074 0.000 0.983 1593 K CA -0.863 55.364 56.287 -0.099 0.000 0.974 1593 K CB 0.145 32.580 32.500 -0.109 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 -0.713 176.562 177.300 -0.043 0.000 1.206 1594 P CA 0.468 63.540 63.100 -0.048 0.000 0.781 1594 P CB 0.279 31.961 31.700 -0.030 0.000 0.994 1595 N N 0.844 119.515 118.700 -0.049 0.000 3.050 1595 N HA 0.122 4.862 4.740 0.000 0.000 0.289 1595 N C -0.000 175.476 175.510 -0.057 0.000 1.209 1595 N CA 0.370 53.395 53.050 -0.042 0.000 1.154 1595 N CB -0.438 38.023 38.487 -0.043 0.000 1.444 1595 N HN 0.220 nan 8.380 nan 0.000 0.529 1596 L N -0.292 120.904 121.223 -0.044 0.000 2.440 1596 L HA 0.565 4.905 4.340 0.000 0.000 0.262 1596 L C 0.347 177.205 176.870 -0.019 0.000 1.072 1596 L CA -0.603 54.210 54.840 -0.044 0.000 0.798 1596 L CB 0.953 42.987 42.059 -0.042 0.000 1.307 1596 L HN 0.097 nan 8.230 nan 0.000 0.475 1597 S N -1.323 114.368 115.700 -0.015 0.000 2.566 1597 S HA 0.456 4.926 4.470 0.000 0.000 0.273 1597 S C -1.306 173.219 174.600 -0.126 0.000 1.157 1597 S CA -0.676 57.531 58.200 0.012 0.000 0.938 1597 S CB 1.139 64.467 63.200 0.213 0.000 1.087 1597 S HN 0.219 nan 8.310 nan 0.000 0.474 1598 Y N 1.997 122.091 120.300 -0.344 0.000 2.301 1598 Y HA 0.488 5.038 4.550 0.000 0.000 0.328 1598 Y C 0.511 176.289 175.900 -0.204 0.000 1.242 1598 Y CA -0.595 57.187 58.100 -0.529 0.000 1.323 1598 Y CB 0.543 38.211 38.460 -1.320 0.000 1.266 1598 Y HN 0.403 nan 8.280 nan 0.000 0.527 1599 I N 3.889 124.502 120.570 0.072 0.000 2.447 1599 I HA 0.220 4.390 4.170 0.000 0.000 0.287 1599 I C -0.418 175.824 176.117 0.210 0.000 1.023 1599 I CA -0.886 60.483 61.300 0.115 0.000 1.083 1599 I CB 1.443 39.452 38.000 0.014 0.000 1.245 1599 I HN 0.560 nan 8.210 nan 0.000 0.434 1600 I N 6.252 126.968 120.570 0.245 0.000 2.352 1600 I HA 0.144 4.314 4.170 0.000 0.000 0.303 1600 I C 1.163 177.370 176.117 0.150 0.000 1.194 1600 I CA 0.148 61.582 61.300 0.224 0.000 1.518 1600 I CB -0.203 37.913 38.000 0.194 0.000 1.489 1600 I HN 0.631 nan 8.210 nan 0.000 0.702 1601 G N 4.324 113.208 108.800 0.141 0.000 2.568 1601 G HA2 0.251 4.211 3.960 0.000 0.000 0.293 1601 G HA3 0.251 4.211 3.960 0.000 0.000 0.293 1601 G C 0.921 175.878 174.900 0.095 0.000 1.347 1601 G CA -0.570 44.589 45.100 0.097 0.000 1.039 1601 G HN 0.657 nan 8.290 nan 0.000 0.523 1602 K N -0.920 119.517 120.400 0.062 0.000 2.103 1602 K HA -0.086 4.234 4.320 0.000 0.000 0.207 1602 K C 0.568 177.220 176.600 0.087 0.000 1.048 1602 K CA 1.824 58.139 56.287 0.046 0.000 0.930 1602 K CB 0.006 32.516 32.500 0.018 0.000 0.716 1602 K HN 0.209 nan 8.250 nan 0.000 0.444 1603 D N 1.075 121.542 120.400 0.111 0.000 2.325 1603 D HA 0.030 4.670 4.640 0.000 0.000 0.225 1603 D C -0.392 176.015 176.300 0.177 0.000 1.096 1603 D CA 0.364 54.455 54.000 0.152 0.000 0.844 1603 D CB 0.474 41.360 40.800 0.143 0.000 0.925 1603 D HN 0.142 nan 8.370 nan 0.000 0.513 1604 T N 1.134 115.777 114.554 0.148 0.000 2.743 1604 T HA 0.058 4.408 4.350 0.000 0.000 0.293 1604 T C -0.303 174.405 174.700 0.013 0.000 0.945 1604 T CA -0.644 61.525 62.100 0.114 0.000 1.030 1604 T CB 1.249 70.212 68.868 0.158 0.000 0.912 1604 T HN 0.138 nan 8.240 nan 0.000 0.483 1605 W N 5.747 126.785 121.300 -0.437 0.000 2.342 1605 W HA 0.482 5.142 4.660 0.000 0.000 0.310 1605 W C -1.578 174.565 176.519 -0.627 0.000 1.128 1605 W CA -0.759 56.166 57.345 -0.700 0.000 1.322 1605 W CB 0.450 28.903 29.460 -1.677 0.000 1.251 1605 W HN 0.266 nan 8.180 nan 0.000 0.439 1606 V N 6.587 126.024 119.914 -0.796 0.000 2.357 1606 V HA 0.260 4.380 4.120 0.000 0.000 0.284 1606 V C -0.209 175.436 176.094 -0.749 0.000 1.018 1606 V CA -0.552 61.328 62.300 -0.701 0.000 0.841 1606 V CB 1.413 32.755 31.823 -0.802 0.000 0.991 1606 V HN 0.525 nan 8.190 nan 0.000 0.437 1607 E N 2.791 122.796 120.200 -0.325 0.000 2.293 1607 E HA 0.414 4.764 4.350 0.000 0.000 0.270 1607 E C -1.215 175.491 176.600 0.178 0.000 0.879 1607 E CA -0.922 55.406 56.400 -0.120 0.000 0.756 1607 E CB 1.843 31.582 29.700 0.066 0.000 1.208 1607 E HN 0.825 nan 8.360 nan 0.000 0.428 1608 H N 3.935 123.048 119.070 0.070 0.000 2.819 1608 H HA 0.100 4.656 4.556 0.000 0.000 0.303 1608 H C -1.229 174.094 175.328 -0.008 0.000 1.058 1608 H CA -0.215 55.854 56.048 0.034 0.000 1.471 1608 H CB 0.510 30.272 29.762 -0.001 0.000 1.480 1608 H HN 0.336 nan 8.280 nan 0.000 0.517 1609 W N 9.339 130.223 121.300 -0.693 0.000 2.308 1609 W HA 0.275 4.935 4.660 0.000 0.000 0.311 1609 W C -2.740 173.456 176.519 -0.538 0.000 1.088 1609 W CA -2.997 54.092 57.345 -0.428 0.000 1.309 1609 W CB 0.697 30.007 29.460 -0.250 0.000 1.229 1609 W HN 0.631 nan 8.180 nan 0.000 0.427 1610 P HA -0.087 nan 4.420 nan 0.000 0.267 1610 P C -0.096 177.299 177.300 0.158 0.000 1.201 1610 P CA 0.505 63.631 63.100 0.044 0.000 0.775 1610 P CB 0.846 32.554 31.700 0.014 0.000 0.854 1611 E N 0.885 121.158 120.200 0.122 0.000 2.405 1611 E HA -0.016 4.334 4.350 0.000 0.000 0.253 1611 E C 1.247 177.893 176.600 0.075 0.000 1.257 1611 E CA 0.002 56.468 56.400 0.111 0.000 0.960 1611 E CB 0.217 29.980 29.700 0.105 0.000 1.077 1611 E HN 0.352 nan 8.360 nan 0.000 0.512 1612 E N 0.356 120.582 120.200 0.043 0.000 2.051 1612 E HA -0.183 4.167 4.350 0.000 0.000 0.192 1612 E C 0.600 177.221 176.600 0.035 0.000 0.991 1612 E CA 2.022 58.441 56.400 0.032 0.000 0.799 1612 E CB -0.173 29.535 29.700 0.013 0.000 0.748 1612 E HN 0.560 nan 8.360 nan 0.000 0.449 1613 D N -0.674 119.747 120.400 0.035 0.000 2.336 1613 D HA -0.009 4.631 4.640 0.000 0.000 0.228 1613 D C 0.687 177.006 176.300 0.032 0.000 1.120 1613 D CA 0.130 54.147 54.000 0.029 0.000 0.839 1613 D CB 0.008 40.823 40.800 0.025 0.000 0.932 1613 D HN 0.384 nan 8.370 nan 0.000 0.509 1614 E N -0.681 119.543 120.200 0.041 0.000 2.413 1614 E HA 0.073 4.423 4.350 0.000 0.000 0.203 1614 E C 1.062 177.679 176.600 0.029 0.000 0.957 1614 E CA -0.006 56.419 56.400 0.041 0.000 0.950 1614 E CB 0.239 29.979 29.700 0.065 0.000 0.957 1614 E HN 0.231 nan 8.360 nan 0.000 0.497 1615 c N 2.058 120.673 118.600 0.026 0.000 2.466 1615 c HA -0.012 4.558 4.570 0.000 0.000 0.283 1615 c C 2.237 176.332 174.090 0.008 0.000 1.472 1615 c CA 0.293 56.628 56.329 0.010 0.000 1.765 1615 c CB -0.624 41.892 42.510 0.011 0.000 1.724 1615 c HN 0.396 nan 8.230 nan 0.000 0.560 1616 Q N 0.768 120.575 119.800 0.013 0.000 2.230 1616 Q HA -0.007 4.333 4.340 0.000 0.000 0.202 1616 Q C 0.632 176.636 176.000 0.007 0.000 0.963 1616 Q CA 0.809 56.617 55.803 0.009 0.000 0.866 1616 Q CB -0.527 28.218 28.738 0.011 0.000 0.931 1616 Q HN 0.626 nan 8.270 nan 0.000 0.452 1617 D N 2.361 122.766 120.400 0.008 0.000 2.458 1617 D HA -0.082 4.558 4.640 0.000 0.000 0.243 1617 D C 0.636 176.937 176.300 0.001 0.000 1.146 1617 D CA 0.144 54.147 54.000 0.005 0.000 0.877 1617 D CB 0.662 41.466 40.800 0.006 0.000 1.176 1617 D HN 0.241 nan 8.370 nan 0.000 0.461 1618 E N 2.047 122.247 120.200 -0.000 0.000 2.461 1618 E HA -0.059 4.291 4.350 0.000 0.000 0.196 1618 E C 0.289 176.887 176.600 -0.004 0.000 1.129 1618 E CA 0.536 56.935 56.400 -0.002 0.000 0.902 1618 E CB -0.020 29.680 29.700 -0.001 0.000 0.963 1618 E HN 0.576 nan 8.360 nan 0.000 0.503 1619 E N 0.137 120.334 120.200 -0.005 0.000 2.508 1619 E HA 0.118 4.468 4.350 0.000 0.000 0.217 1619 E C 0.704 177.298 176.600 -0.010 0.000 0.896 1619 E CA 0.005 56.400 56.400 -0.007 0.000 1.118 1619 E CB 0.404 30.100 29.700 -0.007 0.000 1.133 1619 E HN 0.319 nan 8.360 nan 0.000 0.526 1620 N N 0.650 119.345 118.700 -0.009 0.000 2.205 1620 N HA 0.044 4.784 4.740 0.000 0.000 0.201 1620 N C 1.318 176.812 175.510 -0.026 0.000 1.128 1620 N CA -0.060 52.982 53.050 -0.013 0.000 0.867 1620 N CB 0.477 38.963 38.487 -0.000 0.000 0.996 1620 N HN 0.048 nan 8.380 nan 0.000 0.503 1621 Q N 0.956 120.745 119.800 -0.020 0.000 2.079 1621 Q HA -0.121 4.219 4.340 0.000 0.000 0.200 1621 Q C 1.751 177.733 176.000 -0.031 0.000 0.974 1621 Q CA 1.138 56.927 55.803 -0.022 0.000 0.840 1621 Q CB 0.018 28.748 28.738 -0.012 0.000 0.898 1621 Q HN 0.064 nan 8.270 nan 0.000 0.430 1622 K N 1.185 121.569 120.400 -0.026 0.000 2.211 1622 K HA -0.204 4.116 4.320 0.000 0.000 0.204 1622 K C 1.783 178.357 176.600 -0.044 0.000 1.047 1622 K CA 1.442 57.714 56.287 -0.026 0.000 0.935 1622 K CB 0.022 32.512 32.500 -0.017 0.000 0.728 1622 K HN 0.196 nan 8.250 nan 0.000 0.452 1623 Q N -1.399 118.363 119.800 -0.063 0.000 2.297 1623 Q HA -0.007 4.333 4.340 0.000 0.000 0.203 1623 Q C 1.752 177.645 176.000 -0.179 0.000 0.931 1623 Q CA 0.856 56.595 55.803 -0.107 0.000 0.885 1623 Q CB 0.069 28.747 28.738 -0.099 0.000 0.991 1623 Q HN 0.380 nan 8.270 nan 0.000 0.498 1624 c N 1.007 119.519 118.600 -0.148 0.000 2.440 1624 c HA -0.079 4.491 4.570 0.000 0.000 0.278 1624 c C 2.451 176.469 174.090 -0.120 0.000 1.295 1624 c CA 0.728 56.956 56.329 -0.167 0.000 1.738 1624 c CB -0.650 41.809 42.510 -0.084 0.000 1.987 1624 c HN 0.586 nan 8.230 nan 0.000 0.492 1625 Q N 0.477 120.234 119.800 -0.072 0.000 2.123 1625 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 1625 Q C 1.575 177.557 176.000 -0.031 0.000 0.966 1625 Q CA 1.211 56.993 55.803 -0.035 0.000 0.845 1625 Q CB -0.169 28.559 28.738 -0.018 0.000 0.907 1625 Q HN 0.638 nan 8.270 nan 0.000 0.439 1626 D N 0.838 121.205 120.400 -0.054 0.000 2.117 1626 D HA -0.094 4.546 4.640 0.000 0.000 0.198 1626 D C 1.936 178.215 176.300 -0.036 0.000 0.982 1626 D CA 0.873 54.854 54.000 -0.032 0.000 0.828 1626 D CB -0.115 40.657 40.800 -0.047 0.000 0.967 1626 D HN 0.155 nan 8.370 nan 0.000 0.464 1627 L N 0.503 121.615 121.223 -0.185 0.000 2.056 1627 L HA -0.039 4.301 4.340 0.000 0.000 0.207 1627 L C 2.546 179.381 176.870 -0.059 0.000 1.078 1627 L CA 1.413 56.060 54.840 -0.321 0.000 0.749 1627 L CB -0.700 40.746 42.059 -1.021 0.000 0.901 1627 L HN 0.097 nan 8.230 nan 0.000 0.433 1628 G N -0.546 108.234 108.800 -0.033 0.000 2.422 1628 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 1628 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 1628 G C 1.751 176.717 174.900 0.111 0.000 1.146 1628 G CA 0.801 45.963 45.100 0.104 0.000 0.769 1628 G HN 0.464 nan 8.290 nan 0.000 0.547 1629 A N 0.374 123.245 122.820 0.085 0.000 1.898 1629 A HA 0.119 4.439 4.320 0.000 0.000 0.216 1629 A C 2.152 179.807 177.584 0.119 0.000 1.181 1629 A CA 1.411 53.499 52.037 0.086 0.000 0.620 1629 A CB -0.549 18.494 19.000 0.070 0.000 0.819 1629 A HN 0.397 nan 8.150 nan 0.000 0.442 1630 F N 1.545 121.503 119.950 0.013 0.000 2.269 1630 F HA -0.145 4.382 4.527 0.000 0.000 0.301 1630 F C 2.327 178.164 175.800 0.062 0.000 1.082 1630 F CA 2.061 60.074 58.000 0.021 0.000 1.360 1630 F CB -0.398 38.606 39.000 0.007 0.000 1.041 1630 F HN 0.207 nan 8.300 nan 0.000 0.512 1631 T N 0.108 114.769 114.554 0.178 0.000 2.668 1631 T HA -0.184 4.166 4.350 0.000 0.000 0.262 1631 T C 1.729 176.420 174.700 -0.015 0.000 1.045 1631 T CA 1.798 63.975 62.100 0.129 0.000 1.152 1631 T CB -0.327 68.695 68.868 0.257 0.000 0.864 1631 T HN 0.361 nan 8.240 nan 0.000 0.419 1632 E N 0.983 121.183 120.200 0.001 0.000 2.153 1632 E HA -0.062 4.288 4.350 0.000 0.000 0.194 1632 E C 2.210 178.759 176.600 -0.085 0.000 0.988 1632 E CA 0.827 57.199 56.400 -0.046 0.000 0.811 1632 E CB -0.149 29.532 29.700 -0.031 0.000 0.746 1632 E HN 0.282 nan 8.360 nan 0.000 0.466 1633 S N -0.485 115.174 115.700 -0.068 0.000 2.603 1633 S HA -0.013 4.457 4.470 0.000 0.000 0.229 1633 S C 1.521 176.070 174.600 -0.086 0.000 0.972 1633 S CA 0.522 58.720 58.200 -0.003 0.000 0.935 1633 S CB 0.123 63.313 63.200 -0.016 0.000 0.769 1633 S HN 0.131 nan 8.310 nan 0.000 0.536 1634 M N 0.098 119.575 119.600 -0.206 0.000 2.838 1634 M HA 0.153 4.633 4.480 0.000 0.000 0.251 1634 M C 2.135 178.368 176.300 -0.111 0.000 1.393 1634 M CA 0.775 55.937 55.300 -0.230 0.000 1.196 1634 M CB -0.957 31.389 32.600 -0.424 0.000 1.276 1634 M HN 0.289 nan 8.290 nan 0.000 0.541 1635 V N -1.704 118.153 119.914 -0.095 0.000 2.237 1635 V HA -0.129 3.991 4.120 0.000 0.000 0.245 1635 V C 2.165 178.214 176.094 -0.075 0.000 1.046 1635 V CA 2.076 64.339 62.300 -0.062 0.000 1.007 1635 V CB -1.705 30.089 31.823 -0.048 0.000 0.638 1635 V HN 0.257 nan 8.190 nan 0.000 0.445 1636 V N -0.758 119.071 119.914 -0.141 0.000 2.407 1636 V HA 0.062 4.182 4.120 0.000 0.000 0.245 1636 V C 1.741 177.738 176.094 -0.161 0.000 1.041 1636 V CA 1.333 63.507 62.300 -0.211 0.000 1.040 1636 V CB -0.073 31.524 31.823 -0.376 0.000 0.671 1636 V HN 0.465 nan 8.190 nan 0.000 0.455 1637 F N -0.526 119.380 119.950 -0.073 0.000 2.558 1637 F HA 0.607 5.134 4.527 0.000 0.000 0.172 1637 F C 1.715 177.457 175.800 -0.097 0.000 0.933 1637 F CA 0.473 58.425 58.000 -0.081 0.000 0.974 1637 F CB 0.192 39.137 39.000 -0.092 0.000 2.263 1637 F HN 0.282 nan 8.300 nan 0.000 0.690 1638 G N -0.968 107.908 108.800 0.127 0.000 1.960 1638 G HA2 0.008 3.968 3.960 0.000 0.000 0.066 1638 G HA3 0.008 3.968 3.960 0.000 0.000 0.066 1638 G C -1.734 173.112 174.900 -0.091 0.000 0.709 1638 G CA -0.342 44.742 45.100 -0.028 0.000 1.109 1638 G HN 0.582 nan 8.290 nan 0.000 0.343 1639 c N 1.694 120.244 118.600 -0.084 0.000 2.561 1639 c HA 0.735 5.305 4.570 0.000 0.000 0.319 1639 c C -1.427 172.598 174.090 -0.108 0.000 1.198 1639 c CA -0.339 55.926 56.329 -0.106 0.000 1.665 1639 c CB 1.552 44.005 42.510 -0.095 0.000 2.258 1639 c HN 0.640 nan 8.230 nan 0.000 0.493 1640 P HA 0.137 nan 4.420 nan 0.000 0.267 1640 P C -0.118 177.129 177.300 -0.087 0.000 1.289 1640 P CA 0.412 63.438 63.100 -0.122 0.000 0.866 1640 P CB 0.107 31.728 31.700 -0.131 0.000 1.309 1641 N N 0.000 118.657 118.700 -0.072 0.000 1.763 1641 N HA 0.000 4.740 4.740 0.000 0.000 0.220 1641 N CA 0.000 53.018 53.050 -0.053 0.000 0.885 1641 N CB 0.000 38.458 38.487 -0.048 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667