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 2hr0_1_B DATA FIRST_RESID 727 DATA SEQUENCE SNLDEDIIAE ENIVSRSEFP ESWLWNVEDL KEPPKNGIST KLMNIFLKDS DATA SEQUENCE ITTWEILAVS MSDKKGICVA DPFEVTVMQD FFIDLRLPYS VVRNEQVEIR DATA SEQUENCE AVLYNYRQNQ ELKVRVELLH NPAFcSLATT KRRHQQTVTI PPKSSLSVPY DATA SEQUENCE VIVPLKTGLQ EVEVKAAVYH HFISDGVRKS LKVVPEGIRX XXTVAVRTLD DATA SEQUENCE PERLGREGVQ KEDIPPADLS DQVPDTESET RXLLQGTPVA QMTEDAVDAE DATA SEQUENCE RLKHLIVTPS GCGEQNMIGM TPTVIAVHYL DETEQWEKFG LEKRQGALEL DATA SEQUENCE IKKGYTQQLA FRQPSSAFAA FVKRAPSTWL TAYVVKVFSL AVNLIAIDSQ DATA SEQUENCE VLcGAVKWLI LEKQKPDGVF QEDAPVIHQE MIGGLRNNNE KDMALTAFVL DATA SEQUENCE ISLQEAKDIc EEQVNSLPGS ITKAGDFLEA NYMNLQRSYT VAIAGYALAQ DATA SEQUENCE MGRLKGPLLN KFLTTAKDKN RWEDPGKQLY NVEATSYALL ALLQLKDFDF DATA SEQUENCE VPPVVRWLNE QRYYGGGYGS TQATFMVFQA LAQYQKDAPD HQELNLDVSL DATA SEQUENCE QLPSRSSKIT HRIHWESASL LRSEETKENE GFTVTAEGKG QGTLSVVTMY DATA SEQUENCE HAKAKDQLTc NKFDLKVTIK PAPETEKRPQ DAKNTMILEI cTRYRGDQDA DATA SEQUENCE TMSILDISMM TGFAPDTDDL KQLANGVDRY ISKYELDKXX XXRNTLIIYL DATA SEQUENCE DKVSHSEDDc LAFKVHQYFN VELIQPGAVK VYAYYNLEES cTRFYHPEKE DATA SEQUENCE DGKLNKLcRD ELcRcAEENc FIQKSDDKVT LEERLDKAcE PGVDYVYKTR DATA SEQUENCE LVKVQLSNDF DEYIMAIEQT IKSGSDEVQV GQQRTFISPI KcREALKLEE DATA SEQUENCE KKHYLMWGLS SDFWGEKPNL SYIIGKDTWV EHWPEEDEcQ DEENQKQcQD DATA SEQUENCE LGAFTESMVV FGcPN 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 727 S HA 0.000 nan 4.470 nan 0.000 0.327 727 S C 0.000 174.579 174.600 -0.035 0.000 1.055 727 S CA 0.000 58.175 58.200 -0.043 0.000 1.107 727 S CB 0.000 63.163 63.200 -0.063 0.000 0.593 728 N N -0.471 118.210 118.700 -0.033 0.000 2.529 728 N HA 0.299 5.046 4.740 0.012 0.000 0.231 728 N C 0.206 175.695 175.510 -0.034 0.000 1.072 728 N CA 0.022 53.054 53.050 -0.031 0.000 0.854 728 N CB -0.008 38.463 38.487 -0.026 0.000 1.465 728 N HN 0.555 nan 8.380 nan 0.000 0.452 729 L N 2.204 123.411 121.223 -0.028 0.000 2.558 729 L HA -0.189 4.158 4.340 0.012 0.000 0.301 729 L C 0.683 177.534 176.870 -0.032 0.000 1.267 729 L CA 0.768 55.595 54.840 -0.020 0.000 0.854 729 L CB 0.261 42.319 42.059 -0.003 0.000 1.103 729 L HN 0.370 nan 8.230 nan 0.000 0.522 730 D N -1.065 119.313 120.400 -0.037 0.000 3.208 730 D HA 0.138 4.785 4.640 0.012 0.000 0.138 730 D C 0.069 176.296 176.300 -0.121 0.000 1.289 730 D CA -0.177 53.763 54.000 -0.101 0.000 1.530 730 D CB -0.036 40.711 40.800 -0.088 0.000 1.601 730 D HN 0.443 nan 8.370 nan 0.000 0.238 731 E N -0.709 119.430 120.200 -0.102 0.000 3.426 731 E HA -0.198 4.159 4.350 0.012 0.000 0.291 731 E C -0.596 175.921 176.600 -0.137 0.000 0.898 731 E CA 1.418 57.766 56.400 -0.086 0.000 0.970 731 E CB -0.930 28.751 29.700 -0.031 0.000 1.489 731 E HN 0.440 nan 8.360 nan 0.000 0.461 732 D N -0.865 119.388 120.400 -0.245 0.000 4.386 732 D HA 0.164 4.812 4.640 0.012 0.000 0.140 732 D C -1.007 175.000 176.300 -0.489 0.000 0.722 732 D CA 0.087 53.898 54.000 -0.314 0.000 0.660 732 D CB -0.318 40.270 40.800 -0.353 0.000 1.649 732 D HN 0.235 nan 8.370 nan 0.000 0.401 733 I N 1.194 121.472 120.570 -0.485 0.000 2.841 733 I HA 0.336 4.513 4.170 0.012 0.000 0.298 733 I C -0.132 175.731 176.117 -0.423 0.000 1.304 733 I CA -0.932 60.022 61.300 -0.576 0.000 1.019 733 I CB 1.964 39.516 38.000 -0.747 0.000 1.282 733 I HN -0.135 nan 8.210 nan 0.000 0.432 734 I N 3.379 123.689 120.570 -0.434 0.000 3.246 734 I HA 0.283 4.460 4.170 0.012 0.000 0.280 734 I C 0.326 176.353 176.117 -0.151 0.000 1.239 734 I CA -0.156 61.011 61.300 -0.222 0.000 1.336 734 I CB 0.298 38.230 38.000 -0.112 0.000 1.383 734 I HN 0.687 nan 8.210 nan 0.000 0.617 735 A N 2.241 125.019 122.820 -0.071 0.000 3.257 735 A HA 0.323 4.650 4.320 0.012 0.000 0.308 735 A C 0.943 178.513 177.584 -0.023 0.000 1.175 735 A CA 0.126 52.130 52.037 -0.054 0.000 1.018 735 A CB -0.648 18.329 19.000 -0.038 0.000 1.088 735 A HN 0.998 nan 8.150 nan 0.000 0.567 736 E N 0.535 120.722 120.200 -0.021 0.000 3.966 736 E HA -0.450 3.907 4.350 0.012 0.000 0.204 736 E C 1.432 178.047 176.600 0.025 0.000 1.215 736 E CA 2.395 58.799 56.400 0.006 0.000 2.203 736 E CB -1.701 28.004 29.700 0.008 0.000 1.837 736 E HN 0.777 nan 8.360 nan 0.000 0.327 737 E N 1.672 121.886 120.200 0.023 0.000 2.086 737 E HA -0.299 4.058 4.350 0.012 0.000 0.205 737 E C 1.653 178.277 176.600 0.039 0.000 1.027 737 E CA 1.970 58.388 56.400 0.029 0.000 0.830 737 E CB -0.709 29.004 29.700 0.022 0.000 0.751 737 E HN 0.519 nan 8.360 nan 0.000 0.456 738 N N 1.134 119.861 118.700 0.044 0.000 2.096 738 N HA -0.221 4.526 4.740 0.012 0.000 0.198 738 N C 0.627 176.182 175.510 0.075 0.000 1.017 738 N CA 1.607 54.696 53.050 0.065 0.000 0.889 738 N CB -0.524 38.020 38.487 0.095 0.000 1.081 738 N HN 0.168 nan 8.380 nan 0.000 0.549 739 I N 0.815 121.439 120.570 0.090 0.000 2.692 739 I HA 0.023 4.200 4.170 0.012 0.000 0.284 739 I C 0.076 176.238 176.117 0.075 0.000 1.159 739 I CA -0.057 61.300 61.300 0.095 0.000 1.423 739 I CB 0.599 38.671 38.000 0.120 0.000 1.380 739 I HN -0.097 nan 8.210 nan 0.000 0.580 740 V N 7.585 127.539 119.914 0.068 0.000 2.881 740 V HA 0.332 4.459 4.120 0.012 0.000 0.303 740 V C 0.437 176.572 176.094 0.068 0.000 1.070 740 V CA -0.025 62.308 62.300 0.055 0.000 1.074 740 V CB 1.417 33.263 31.823 0.039 0.000 1.012 740 V HN 0.941 nan 8.190 nan 0.000 0.482 741 S N 4.470 120.208 115.700 0.063 0.000 2.672 741 S HA 0.609 5.086 4.470 0.012 0.000 0.276 741 S C -0.083 174.564 174.600 0.077 0.000 1.207 741 S CA -0.550 57.697 58.200 0.078 0.000 1.002 741 S CB 1.432 64.678 63.200 0.076 0.000 0.998 741 S HN 0.792 nan 8.310 nan 0.000 0.542 742 R N 0.484 121.048 120.500 0.106 0.000 2.574 742 R HA 0.482 4.829 4.340 0.012 0.000 0.266 742 R C 0.953 177.329 176.300 0.127 0.000 1.157 742 R CA 0.742 56.905 56.100 0.105 0.000 1.187 742 R CB 0.432 30.831 30.300 0.164 0.000 1.179 742 R HN 0.830 nan 8.270 nan 0.000 0.600 743 S N -2.615 113.150 115.700 0.108 0.000 2.126 743 S HA 0.139 4.617 4.470 0.012 0.000 0.242 743 S C -0.380 174.299 174.600 0.132 0.000 0.898 743 S CA -0.625 57.658 58.200 0.140 0.000 1.395 743 S CB -0.122 63.118 63.200 0.067 0.000 0.966 743 S HN 0.493 nan 8.310 nan 0.000 0.435 744 E N 0.557 120.707 120.200 -0.083 0.000 2.349 744 E HA 0.705 5.062 4.350 0.012 0.000 0.265 744 E C -1.501 174.846 176.600 -0.421 0.000 1.064 744 E CA -0.297 56.011 56.400 -0.154 0.000 0.886 744 E CB 0.763 30.317 29.700 -0.244 0.000 1.036 744 E HN 0.327 nan 8.360 nan 0.000 0.413 745 F N 0.513 120.490 119.950 0.046 0.000 2.745 745 F HA 0.273 4.807 4.527 0.011 0.000 0.316 745 F C -2.165 173.754 175.800 0.197 0.000 1.155 745 F CA -1.851 56.215 58.000 0.111 0.000 0.937 745 F CB 1.538 40.590 39.000 0.088 0.000 1.361 745 F HN 0.283 nan 8.300 nan 0.000 0.472 746 P HA 0.174 nan 4.420 nan 0.000 0.256 746 P C -1.053 176.483 177.300 0.393 0.000 1.688 746 P CA 0.274 63.676 63.100 0.505 0.000 1.162 746 P CB 0.128 31.981 31.700 0.254 0.000 1.870 747 E N 0.399 120.824 120.200 0.375 0.000 2.235 747 E HA 0.399 4.757 4.350 0.012 0.000 0.265 747 E C 0.005 176.824 176.600 0.365 0.000 0.940 747 E CA -0.685 55.883 56.400 0.280 0.000 0.819 747 E CB 1.054 30.864 29.700 0.185 0.000 1.206 747 E HN 0.153 nan 8.360 nan 0.000 0.409 748 S N 2.171 118.038 115.700 0.280 0.000 2.568 748 S HA 0.258 4.735 4.470 0.012 0.000 0.282 748 S C -0.500 174.279 174.600 0.297 0.000 1.338 748 S CA -0.375 57.992 58.200 0.277 0.000 1.045 748 S CB 0.085 63.377 63.200 0.153 0.000 0.873 748 S HN 0.480 nan 8.310 nan 0.000 0.516 749 W N 0.274 121.532 121.300 -0.069 0.000 3.179 749 W HA 0.589 5.255 4.660 0.010 0.000 0.372 749 W C -0.852 175.657 176.519 -0.016 0.000 1.137 749 W CA -1.611 55.692 57.345 -0.069 0.000 1.100 749 W CB -0.298 29.044 29.460 -0.198 0.000 1.503 749 W HN 0.548 nan 8.180 nan 0.000 0.601 750 L N 1.533 122.782 121.223 0.042 0.000 3.634 750 L HA -0.225 4.122 4.340 0.012 0.000 0.423 750 L C -0.036 176.824 176.870 -0.017 0.000 1.253 750 L CA 0.323 55.081 54.840 -0.136 0.000 0.885 750 L CB -1.173 40.534 42.059 -0.588 0.000 1.789 750 L HN 0.635 nan 8.230 nan 0.000 0.904 751 W N 3.906 125.170 121.300 -0.059 0.000 1.496 751 W HA 0.290 4.953 4.660 0.005 0.000 0.422 751 W C 0.145 176.649 176.519 -0.025 0.000 0.638 751 W CA 0.070 57.391 57.345 -0.041 0.000 2.105 751 W CB -0.250 29.207 29.460 -0.005 0.000 1.639 751 W HN 0.657 nan 8.180 nan 0.000 0.304 752 N N 0.852 119.431 118.700 -0.201 0.000 2.405 752 N HA 0.512 5.259 4.740 0.012 0.000 0.285 752 N C -1.856 173.505 175.510 -0.249 0.000 1.262 752 N CA -0.750 52.186 53.050 -0.190 0.000 0.773 752 N CB 2.150 40.599 38.487 -0.062 0.000 1.490 752 N HN -0.168 nan 8.380 nan 0.000 0.486 753 V N 0.375 120.175 119.914 -0.189 0.000 2.495 753 V HA 0.414 4.542 4.120 0.012 0.000 0.298 753 V C -0.725 175.299 176.094 -0.116 0.000 1.031 753 V CA -0.605 61.590 62.300 -0.175 0.000 0.871 753 V CB 1.471 33.194 31.823 -0.167 0.000 0.988 753 V HN 0.652 nan 8.190 nan 0.000 0.432 754 E N 2.811 122.945 120.200 -0.111 0.000 2.246 754 E HA 0.440 4.798 4.350 0.012 0.000 0.266 754 E C -1.454 175.098 176.600 -0.079 0.000 0.880 754 E CA -0.661 55.688 56.400 -0.085 0.000 0.762 754 E CB 2.639 32.289 29.700 -0.084 0.000 1.180 754 E HN 0.915 nan 8.360 nan 0.000 0.416 755 D N 1.203 121.565 120.400 -0.064 0.000 2.277 755 D HA 0.451 5.099 4.640 0.012 0.000 0.250 755 D C -0.227 176.042 176.300 -0.052 0.000 1.032 755 D CA -0.675 53.291 54.000 -0.057 0.000 0.947 755 D CB 1.069 41.840 40.800 -0.048 0.000 1.159 755 D HN 0.163 nan 8.370 nan 0.000 0.460 756 L N 1.212 122.406 121.223 -0.049 0.000 2.264 756 L HA 0.351 4.698 4.340 0.012 0.000 0.287 756 L C 0.676 177.523 176.870 -0.038 0.000 1.039 756 L CA -0.496 54.317 54.840 -0.046 0.000 0.829 756 L CB 0.941 42.972 42.059 -0.047 0.000 1.211 756 L HN 0.329 nan 8.230 nan 0.000 0.427 757 K N 0.733 121.111 120.400 -0.035 0.000 2.374 757 K HA 0.179 4.506 4.320 0.012 0.000 0.202 757 K C 0.009 176.593 176.600 -0.028 0.000 1.040 757 K CA -0.035 56.234 56.287 -0.030 0.000 1.085 757 K CB 0.423 32.907 32.500 -0.027 0.000 0.873 757 K HN 0.409 nan 8.250 nan 0.000 0.539 758 E N 1.295 121.477 120.200 -0.030 0.000 2.373 758 E HA 0.100 4.457 4.350 0.012 0.000 0.267 758 E C -2.441 174.143 176.600 -0.026 0.000 1.032 758 E CA -1.845 54.538 56.400 -0.028 0.000 0.889 758 E CB 0.176 29.857 29.700 -0.032 0.000 0.984 758 E HN -0.106 nan 8.360 nan 0.000 0.425 759 P HA 0.019 nan 4.420 nan 0.000 0.260 759 P C -2.379 174.908 177.300 -0.022 0.000 1.185 759 P CA -0.719 62.368 63.100 -0.021 0.000 0.763 759 P CB -0.107 31.582 31.700 -0.018 0.000 0.776 760 P HA 0.134 nan 4.420 nan 0.000 0.271 760 P C -0.680 176.608 177.300 -0.020 0.000 1.216 760 P CA -0.037 63.050 63.100 -0.022 0.000 0.776 760 P CB 0.927 32.614 31.700 -0.021 0.000 0.881 761 K N 2.475 122.862 120.400 -0.021 0.000 2.533 761 K HA 0.204 4.531 4.320 0.012 0.000 0.207 761 K C -0.225 176.364 176.600 -0.018 0.000 1.052 761 K CA -0.435 55.840 56.287 -0.019 0.000 1.030 761 K CB -0.246 32.242 32.500 -0.020 0.000 1.522 761 K HN 0.415 nan 8.250 nan 0.000 0.543 762 N N 1.693 120.383 118.700 -0.017 0.000 2.708 762 N HA -0.240 4.508 4.740 0.012 0.000 0.255 762 N C 0.585 176.085 175.510 -0.018 0.000 1.046 762 N CA 0.663 53.704 53.050 -0.016 0.000 0.715 762 N CB -0.519 37.960 38.487 -0.015 0.000 0.895 762 N HN 1.003 nan 8.380 nan 0.000 0.545 763 G N 0.064 108.853 108.800 -0.019 0.000 2.900 763 G HA2 -0.335 3.632 3.960 0.012 0.000 0.223 763 G HA3 -0.335 3.632 3.960 0.012 0.000 0.223 763 G C 0.270 175.155 174.900 -0.025 0.000 1.293 763 G CA 0.210 45.297 45.100 -0.022 0.000 0.792 763 G HN 0.415 nan 8.290 nan 0.000 0.527 764 I N 2.864 123.419 120.570 -0.026 0.000 2.907 764 I HA 0.189 4.366 4.170 0.012 0.000 0.285 764 I C 0.279 176.377 176.117 -0.032 0.000 1.189 764 I CA 0.953 62.234 61.300 -0.030 0.000 1.376 764 I CB -0.175 37.808 38.000 -0.029 0.000 1.420 764 I HN 0.169 nan 8.210 nan 0.000 0.544 765 S N 5.025 120.703 115.700 -0.036 0.000 2.426 765 S HA 0.211 4.688 4.470 0.012 0.000 0.236 765 S C 0.415 174.988 174.600 -0.045 0.000 1.368 765 S CA -0.559 57.619 58.200 -0.038 0.000 1.154 765 S CB 0.520 63.698 63.200 -0.036 0.000 1.037 765 S HN 0.581 nan 8.310 nan 0.000 0.481 766 T N 3.594 118.121 114.554 -0.045 0.000 2.799 766 T HA 0.154 4.511 4.350 0.012 0.000 0.296 766 T C 0.263 174.931 174.700 -0.053 0.000 0.947 766 T CA -0.040 62.028 62.100 -0.053 0.000 1.141 766 T CB 0.036 68.874 68.868 -0.050 0.000 0.891 766 T HN 0.409 nan 8.240 nan 0.000 0.533 767 K N 5.212 125.575 120.400 -0.062 0.000 2.449 767 K HA 0.400 4.727 4.320 0.012 0.000 0.257 767 K C -0.661 175.897 176.600 -0.072 0.000 0.989 767 K CA -0.526 55.724 56.287 -0.062 0.000 0.916 767 K CB 0.121 32.584 32.500 -0.061 0.000 1.136 767 K HN 0.452 nan 8.250 nan 0.000 0.439 768 L N 4.125 125.309 121.223 -0.066 0.000 2.485 768 L HA 0.277 4.624 4.340 0.012 0.000 0.275 768 L C 0.344 177.170 176.870 -0.074 0.000 1.207 768 L CA 0.337 55.134 54.840 -0.071 0.000 0.855 768 L CB 0.518 42.540 42.059 -0.061 0.000 1.114 768 L HN 0.666 nan 8.230 nan 0.000 0.485 769 M N 3.918 123.467 119.600 -0.085 0.000 2.271 769 M HA 0.366 4.853 4.480 0.012 0.000 0.285 769 M C -1.481 174.760 176.300 -0.098 0.000 1.059 769 M CA -0.466 54.782 55.300 -0.087 0.000 0.940 769 M CB 1.683 34.228 32.600 -0.090 0.000 1.636 769 M HN 0.541 nan 8.290 nan 0.000 0.460 770 N N 6.018 124.651 118.700 -0.112 0.000 2.400 770 N HA 0.729 5.477 4.740 0.012 0.000 0.288 770 N C -1.245 174.129 175.510 -0.226 0.000 1.024 770 N CA -0.163 52.786 53.050 -0.169 0.000 0.894 770 N CB 1.766 40.142 38.487 -0.185 0.000 1.173 770 N HN 0.704 nan 8.380 nan 0.000 0.487 771 I N -2.023 118.386 120.570 -0.269 0.000 2.994 771 I HA 0.580 4.757 4.170 0.012 0.000 0.306 771 I C -1.309 174.599 176.117 -0.348 0.000 1.195 771 I CA -1.064 60.097 61.300 -0.233 0.000 1.001 771 I CB 1.645 39.663 38.000 0.030 0.000 1.244 771 I HN 0.079 nan 8.210 nan 0.000 0.437 772 F N 3.634 123.639 119.950 0.091 0.000 2.385 772 F HA 0.562 5.095 4.527 0.011 0.000 0.360 772 F C 0.072 175.853 175.800 -0.032 0.000 1.122 772 F CA -0.663 57.353 58.000 0.027 0.000 1.090 772 F CB 1.198 40.188 39.000 -0.017 0.000 1.150 772 F HN 0.225 nan 8.300 nan 0.000 0.472 773 L N 4.613 125.911 121.223 0.124 0.000 2.514 773 L HA 0.074 4.422 4.340 0.012 0.000 0.280 773 L C 0.749 177.448 176.870 -0.284 0.000 1.223 773 L CA -0.310 54.502 54.840 -0.047 0.000 0.864 773 L CB 0.121 42.252 42.059 0.121 0.000 1.118 773 L HN 0.474 nan 8.230 nan 0.000 0.494 774 K N 2.074 122.061 120.400 -0.688 0.000 2.336 774 K HA -0.009 4.318 4.320 0.012 0.000 0.262 774 K C 0.254 176.712 176.600 -0.236 0.000 0.992 774 K CA -0.206 55.750 56.287 -0.551 0.000 0.927 774 K CB 0.339 32.401 32.500 -0.731 0.000 0.956 774 K HN 0.612 nan 8.250 nan 0.000 0.495 775 D N -0.336 119.906 120.400 -0.262 0.000 2.663 775 D HA 0.003 4.650 4.640 0.012 0.000 0.243 775 D C -0.596 175.523 176.300 -0.302 0.000 1.218 775 D CA -0.202 53.672 54.000 -0.210 0.000 0.846 775 D CB -0.174 40.515 40.800 -0.185 0.000 1.014 775 D HN 0.042 nan 8.370 nan 0.000 0.476 776 S N 0.099 115.666 115.700 -0.221 0.000 2.475 776 S HA 0.417 4.895 4.470 0.012 0.000 0.298 776 S C 0.516 175.088 174.600 -0.046 0.000 1.119 776 S CA -0.793 57.309 58.200 -0.164 0.000 1.085 776 S CB 1.494 64.648 63.200 -0.076 0.000 1.028 776 S HN 0.224 nan 8.310 nan 0.000 0.489 777 I N 3.380 123.928 120.570 -0.037 0.000 2.311 777 I HA 0.227 4.405 4.170 0.012 0.000 0.297 777 I C 0.694 176.639 176.117 -0.287 0.000 1.131 777 I CA 0.283 61.427 61.300 -0.260 0.000 1.289 777 I CB -0.108 37.441 38.000 -0.752 0.000 1.446 777 I HN 0.568 nan 8.210 nan 0.000 0.524 778 T N 2.962 117.329 114.554 -0.312 0.000 2.665 778 T HA 0.377 4.734 4.350 0.012 0.000 0.303 778 T C -0.796 173.656 174.700 -0.413 0.000 1.334 778 T CA -0.387 61.465 62.100 -0.414 0.000 1.011 778 T CB 1.992 70.489 68.868 -0.619 0.000 1.573 778 T HN 0.265 nan 8.240 nan 0.000 0.492 779 T N 2.167 116.467 114.554 -0.423 0.000 2.809 779 T HA 0.498 4.855 4.350 0.012 0.000 0.296 779 T C -1.092 173.449 174.700 -0.264 0.000 1.015 779 T CA -0.225 61.709 62.100 -0.277 0.000 0.954 779 T CB 0.099 68.862 68.868 -0.176 0.000 0.950 779 T HN 0.444 nan 8.240 nan 0.000 0.450 780 W N 1.883 123.199 121.300 0.028 0.000 2.376 780 W HA 0.512 5.180 4.660 0.013 0.000 0.322 780 W C 0.592 177.102 176.519 -0.016 0.000 1.160 780 W CA -0.713 56.674 57.345 0.071 0.000 1.218 780 W CB 0.825 30.403 29.460 0.196 0.000 1.205 780 W HN 0.411 nan 8.180 nan 0.000 0.559 781 E N 2.928 123.304 120.200 0.295 0.000 2.102 781 E HA 0.349 4.707 4.350 0.012 0.000 0.263 781 E C -0.891 175.768 176.600 0.098 0.000 0.894 781 E CA -0.346 56.132 56.400 0.131 0.000 0.746 781 E CB 0.460 30.216 29.700 0.095 0.000 1.129 781 E HN 0.265 nan 8.360 nan 0.000 0.416 782 I N 5.809 126.422 120.570 0.071 0.000 2.322 782 I HA 0.188 4.365 4.170 0.012 0.000 0.292 782 I C -0.311 175.827 176.117 0.034 0.000 1.060 782 I CA -0.367 60.943 61.300 0.016 0.000 1.309 782 I CB 0.191 38.222 38.000 0.051 0.000 1.415 782 I HN 0.285 nan 8.210 nan 0.000 0.492 783 L N 6.396 127.616 121.223 -0.005 0.000 2.295 783 L HA 0.813 5.161 4.340 0.012 0.000 0.285 783 L C 0.084 176.933 176.870 -0.035 0.000 1.035 783 L CA -0.614 54.227 54.840 0.003 0.000 0.806 783 L CB 1.472 43.543 42.059 0.020 0.000 1.214 783 L HN 0.611 nan 8.230 nan 0.000 0.426 784 A N 3.342 126.143 122.820 -0.032 0.000 2.365 784 A HA 0.838 5.165 4.320 0.012 0.000 0.318 784 A C -0.845 176.707 177.584 -0.054 0.000 1.091 784 A CA -0.517 51.483 52.037 -0.061 0.000 0.763 784 A CB 2.007 20.968 19.000 -0.066 0.000 1.248 784 A HN 0.430 nan 8.150 nan 0.000 0.442 785 V N 2.301 122.171 119.914 -0.073 0.000 2.524 785 V HA 0.512 4.639 4.120 0.012 0.000 0.297 785 V C 0.316 176.368 176.094 -0.070 0.000 1.035 785 V CA -0.311 61.952 62.300 -0.062 0.000 0.867 785 V CB 1.493 33.281 31.823 -0.058 0.000 1.004 785 V HN 1.136 nan 8.190 nan 0.000 0.426 786 S N 4.904 120.570 115.700 -0.056 0.000 2.646 786 S HA 0.874 5.352 4.470 0.012 0.000 0.276 786 S C -0.551 174.020 174.600 -0.048 0.000 1.222 786 S CA -0.593 57.573 58.200 -0.056 0.000 1.014 786 S CB 1.684 64.855 63.200 -0.050 0.000 0.991 786 S HN 0.789 nan 8.310 nan 0.000 0.533 787 M N 3.347 122.919 119.600 -0.048 0.000 2.150 787 M HA 0.355 4.842 4.480 0.012 0.000 0.255 787 M C -0.935 175.343 176.300 -0.036 0.000 0.963 787 M CA -0.032 55.244 55.300 -0.040 0.000 1.033 787 M CB 1.718 34.292 32.600 -0.042 0.000 2.007 787 M HN 0.863 nan 8.290 nan 0.000 0.462 788 S N 1.549 117.230 115.700 -0.031 0.000 2.454 788 S HA 0.476 4.953 4.470 0.012 0.000 0.306 788 S C 0.242 174.828 174.600 -0.023 0.000 1.100 788 S CA -0.410 57.773 58.200 -0.028 0.000 1.087 788 S CB 0.905 64.089 63.200 -0.027 0.000 1.019 788 S HN 0.760 nan 8.310 nan 0.000 0.480 789 D N 2.385 122.772 120.400 -0.022 0.000 2.392 789 D HA 0.015 4.662 4.640 0.012 0.000 0.228 789 D C 1.136 177.426 176.300 -0.017 0.000 1.003 789 D CA 0.658 54.647 54.000 -0.018 0.000 0.917 789 D CB 0.133 40.923 40.800 -0.017 0.000 0.890 789 D HN 0.556 nan 8.370 nan 0.000 0.532 790 K N -0.457 119.932 120.400 -0.018 0.000 2.286 790 K HA 0.142 4.469 4.320 0.012 0.000 0.203 790 K C 0.969 177.559 176.600 -0.015 0.000 1.078 790 K CA 0.270 56.547 56.287 -0.016 0.000 0.957 790 K CB 0.552 33.042 32.500 -0.017 0.000 1.018 790 K HN -0.122 nan 8.250 nan 0.000 0.484 791 K N 0.133 120.522 120.400 -0.017 0.000 2.501 791 K HA 0.222 4.549 4.320 0.012 0.000 0.204 791 K C 0.278 176.868 176.600 -0.017 0.000 1.067 791 K CA 0.331 56.608 56.287 -0.016 0.000 1.060 791 K CB 1.512 34.002 32.500 -0.017 0.000 0.873 791 K HN 0.384 nan 8.250 nan 0.000 0.540 792 G N 1.741 110.531 108.800 -0.018 0.000 2.568 792 G HA2 -0.275 3.692 3.960 0.012 0.000 0.222 792 G HA3 -0.275 3.692 3.960 0.012 0.000 0.222 792 G C -0.504 174.384 174.900 -0.020 0.000 1.321 792 G CA -0.372 44.717 45.100 -0.017 0.000 0.893 792 G HN 0.187 nan 8.290 nan 0.000 0.569 793 I N -0.334 120.225 120.570 -0.019 0.000 2.612 793 I HA 0.593 4.771 4.170 0.012 0.000 0.295 793 I C 0.074 176.179 176.117 -0.020 0.000 1.011 793 I CA -0.461 60.826 61.300 -0.021 0.000 1.326 793 I CB 1.224 39.213 38.000 -0.018 0.000 1.427 793 I HN 0.881 nan 8.210 nan 0.000 0.537 794 C N 7.239 126.525 119.300 -0.024 0.000 2.892 794 C HA 0.392 4.859 4.460 0.012 0.000 0.360 794 C C -0.700 174.276 174.990 -0.023 0.000 1.054 794 C CA -0.536 58.469 59.018 -0.022 0.000 1.326 794 C CB 0.060 27.785 27.740 -0.024 0.000 1.806 794 C HN 0.496 nan 8.230 nan 0.000 0.490 795 V N 6.212 126.116 119.914 -0.017 0.000 2.405 795 V HA 0.487 4.614 4.120 0.012 0.000 0.264 795 V C 1.109 177.197 176.094 -0.010 0.000 1.048 795 V CA 0.285 62.577 62.300 -0.014 0.000 0.966 795 V CB 0.775 32.594 31.823 -0.006 0.000 1.015 795 V HN 1.003 nan 8.190 nan 0.000 0.477 796 A N 4.727 127.539 122.820 -0.014 0.000 2.332 796 A HA 0.339 4.666 4.320 0.012 0.000 0.258 796 A C 0.291 177.880 177.584 0.009 0.000 1.087 796 A CA -0.572 51.461 52.037 -0.008 0.000 0.802 796 A CB 0.148 19.137 19.000 -0.017 0.000 1.042 796 A HN 0.774 nan 8.150 nan 0.000 0.489 797 D N 1.050 121.461 120.400 0.019 0.000 2.423 797 D HA 0.277 4.924 4.640 0.012 0.000 0.238 797 D C -2.159 174.176 176.300 0.059 0.000 1.142 797 D CA -0.107 53.914 54.000 0.035 0.000 0.884 797 D CB 0.068 40.892 40.800 0.040 0.000 1.199 797 D HN 0.218 nan 8.370 nan 0.000 0.438 798 P HA 0.078 nan 4.420 nan 0.000 0.267 798 P C -0.531 176.851 177.300 0.137 0.000 1.205 798 P CA -0.193 62.954 63.100 0.078 0.000 0.765 798 P CB 0.201 31.929 31.700 0.047 0.000 0.828 799 F N 2.673 122.621 119.950 -0.004 0.000 2.410 799 F HA 0.300 4.834 4.527 0.011 0.000 0.349 799 F C 0.464 176.278 175.800 0.023 0.000 1.117 799 F CA -0.862 57.138 58.000 0.001 0.000 1.104 799 F CB 0.917 39.909 39.000 -0.013 0.000 1.122 799 F HN 0.253 nan 8.300 nan 0.000 0.483 800 E N 4.752 124.547 120.200 -0.675 0.000 2.174 800 E HA 0.518 4.875 4.350 0.012 0.000 0.282 800 E C -1.571 174.588 176.600 -0.736 0.000 0.992 800 E CA -0.680 55.421 56.400 -0.498 0.000 0.803 800 E CB 1.275 30.809 29.700 -0.277 0.000 1.090 800 E HN 0.506 nan 8.360 nan 0.000 0.396 801 V N 4.020 123.738 119.914 -0.327 0.000 2.349 801 V HA 0.194 4.321 4.120 0.012 0.000 0.284 801 V C -0.164 175.916 176.094 -0.022 0.000 1.014 801 V CA -0.863 61.343 62.300 -0.156 0.000 0.826 801 V CB 1.475 33.336 31.823 0.062 0.000 1.009 801 V HN 0.686 nan 8.190 nan 0.000 0.431 802 T N 4.561 119.072 114.554 -0.072 0.000 2.992 802 T HA 0.234 4.591 4.350 0.012 0.000 0.299 802 T C 0.239 174.910 174.700 -0.050 0.000 1.027 802 T CA -0.064 61.989 62.100 -0.077 0.000 1.001 802 T CB 0.356 69.162 68.868 -0.103 0.000 1.005 802 T HN 0.384 nan 8.240 nan 0.000 0.599 803 V N 6.017 125.919 119.914 -0.020 0.000 2.415 803 V HA 0.278 4.405 4.120 0.012 0.000 0.267 803 V C 0.310 176.333 176.094 -0.118 0.000 1.042 803 V CA -0.069 62.227 62.300 -0.006 0.000 1.000 803 V CB 0.415 32.300 31.823 0.102 0.000 1.015 803 V HN 0.708 nan 8.190 nan 0.000 0.478 804 M N 4.907 124.431 119.600 -0.127 0.000 2.530 804 M HA 0.525 5.013 4.480 0.012 0.000 0.307 804 M C -0.917 175.269 176.300 -0.190 0.000 1.161 804 M CA -0.437 54.731 55.300 -0.220 0.000 0.903 804 M CB 2.092 34.559 32.600 -0.222 0.000 1.711 804 M HN 0.769 nan 8.290 nan 0.000 0.451 805 Q N 1.391 121.032 119.800 -0.265 0.000 2.331 805 Q HA 0.315 4.662 4.340 0.012 0.000 0.272 805 Q C -0.753 175.136 176.000 -0.184 0.000 1.062 805 Q CA -0.619 55.100 55.803 -0.140 0.000 0.806 805 Q CB 2.332 31.058 28.738 -0.020 0.000 1.312 805 Q HN 0.642 nan 8.270 nan 0.000 0.431 806 D N 1.696 122.060 120.400 -0.061 0.000 1.658 806 D HA -0.067 4.580 4.640 0.012 0.000 0.319 806 D C 0.097 176.579 176.300 0.304 0.000 1.076 806 D CA 0.400 54.405 54.000 0.010 0.000 0.860 806 D CB -0.289 40.552 40.800 0.070 0.000 1.368 806 D HN 0.538 nan 8.370 nan 0.000 0.468 807 F N 0.430 120.535 119.950 0.257 0.000 2.547 807 F HA 0.002 4.536 4.527 0.012 0.000 0.386 807 F C -0.368 175.691 175.800 0.432 0.000 1.031 807 F CA 0.203 58.398 58.000 0.324 0.000 1.255 807 F CB 0.091 39.208 39.000 0.195 0.000 0.947 807 F HN 0.002 nan 8.300 nan 0.000 0.574 808 F N 7.785 127.399 119.950 -0.562 0.000 2.588 808 F HA 0.572 5.106 4.527 0.011 0.000 0.314 808 F C -1.622 173.934 175.800 -0.407 0.000 1.134 808 F CA -1.442 56.365 58.000 -0.321 0.000 0.961 808 F CB 0.972 40.049 39.000 0.129 0.000 1.239 808 F HN 0.309 nan 8.300 nan 0.000 0.448 809 I N 4.551 124.552 120.570 -0.949 0.000 2.359 809 I HA 0.331 4.508 4.170 0.012 0.000 0.294 809 I C -1.026 174.474 176.117 -1.028 0.000 0.987 809 I CA -0.504 60.341 61.300 -0.758 0.000 1.225 809 I CB 1.522 39.328 38.000 -0.324 0.000 1.366 809 I HN 0.497 nan 8.210 nan 0.000 0.466 810 D N 6.089 126.141 120.400 -0.579 0.000 2.492 810 D HA 0.383 5.030 4.640 0.012 0.000 0.248 810 D C -1.311 174.898 176.300 -0.151 0.000 1.101 810 D CA -0.518 53.306 54.000 -0.294 0.000 0.840 810 D CB 1.575 42.376 40.800 0.002 0.000 1.209 810 D HN 0.229 nan 8.370 nan 0.000 0.524 811 L N 3.977 125.125 121.223 -0.124 0.000 2.265 811 L HA 0.543 4.890 4.340 0.012 0.000 0.288 811 L C -0.628 176.186 176.870 -0.093 0.000 1.058 811 L CA -0.421 54.364 54.840 -0.091 0.000 0.809 811 L CB 0.796 42.802 42.059 -0.088 0.000 1.179 811 L HN 0.389 nan 8.230 nan 0.000 0.429 812 R N 5.249 125.707 120.500 -0.070 0.000 2.287 812 R HA 0.656 5.003 4.340 0.012 0.000 0.316 812 R C -1.987 174.274 176.300 -0.066 0.000 1.050 812 R CA -0.332 55.729 56.100 -0.065 0.000 0.983 812 R CB -0.062 30.204 30.300 -0.056 0.000 1.140 812 R HN 0.585 nan 8.270 nan 0.000 0.528 813 L N 4.672 125.850 121.223 -0.074 0.000 2.333 813 L HA 0.715 5.062 4.340 0.012 0.000 0.269 813 L C -1.689 175.148 176.870 -0.055 0.000 1.010 813 L CA -1.955 52.840 54.840 -0.075 0.000 0.818 813 L CB 1.321 43.321 42.059 -0.099 0.000 1.306 813 L HN 0.559 nan 8.230 nan 0.000 0.430 814 P HA -0.001 nan 4.420 nan 0.000 0.272 814 P C 0.240 177.543 177.300 0.004 0.000 1.240 814 P CA -0.355 62.736 63.100 -0.014 0.000 0.791 814 P CB 0.535 32.223 31.700 -0.020 0.000 0.978 815 Y N 1.364 121.642 120.300 -0.038 0.000 2.040 815 Y HA -0.219 4.338 4.550 0.011 0.000 0.275 815 Y C 0.673 176.559 175.900 -0.024 0.000 1.171 815 Y CA 1.955 60.039 58.100 -0.028 0.000 1.123 815 Y CB -0.620 37.829 38.460 -0.019 0.000 0.963 815 Y HN 0.519 nan 8.280 nan 0.000 0.493 816 S N -0.751 114.622 115.700 -0.545 0.000 2.570 816 S HA 0.586 5.063 4.470 0.012 0.000 0.270 816 S C -1.369 173.075 174.600 -0.261 0.000 1.149 816 S CA -0.466 57.383 58.200 -0.586 0.000 0.837 816 S CB 1.602 64.183 63.200 -1.032 0.000 1.124 816 S HN 0.716 nan 8.310 nan 0.000 0.465 817 V N 1.261 121.060 119.914 -0.192 0.000 2.656 817 V HA 0.721 4.848 4.120 0.012 0.000 0.307 817 V C -0.834 175.213 176.094 -0.079 0.000 1.051 817 V CA -0.643 61.594 62.300 -0.105 0.000 0.893 817 V CB 1.688 33.461 31.823 -0.083 0.000 0.999 817 V HN 0.961 nan 8.190 nan 0.000 0.426 818 V N 7.281 127.170 119.914 -0.042 0.000 2.555 818 V HA 0.335 4.462 4.120 0.012 0.000 0.286 818 V C 0.962 177.046 176.094 -0.016 0.000 1.044 818 V CA -0.231 62.055 62.300 -0.023 0.000 1.026 818 V CB 1.077 32.900 31.823 -0.001 0.000 0.981 818 V HN 1.037 nan 8.190 nan 0.000 0.480 819 R N 4.470 124.964 120.500 -0.011 0.000 2.500 819 R HA -0.124 4.224 4.340 0.012 0.000 0.281 819 R C 0.877 177.180 176.300 0.004 0.000 0.953 819 R CA 1.456 57.556 56.100 0.000 0.000 1.108 819 R CB -0.552 29.751 30.300 0.006 0.000 0.901 819 R HN 0.964 nan 8.270 nan 0.000 0.410 820 N N 0.477 119.180 118.700 0.006 0.000 2.909 820 N HA -0.219 4.528 4.740 0.012 0.000 0.242 820 N C -0.884 174.621 175.510 -0.007 0.000 0.975 820 N CA 1.108 54.161 53.050 0.004 0.000 0.921 820 N CB -0.621 37.874 38.487 0.014 0.000 1.112 820 N HN 0.711 nan 8.380 nan 0.000 0.581 821 E N 0.634 120.828 120.200 -0.011 0.000 2.369 821 E HA 0.247 4.604 4.350 0.012 0.000 0.255 821 E C 0.041 176.611 176.600 -0.049 0.000 1.172 821 E CA -0.019 56.374 56.400 -0.012 0.000 0.932 821 E CB 0.548 30.250 29.700 0.002 0.000 1.040 821 E HN 0.118 nan 8.360 nan 0.000 0.454 822 Q N 1.458 121.220 119.800 -0.063 0.000 2.798 822 Q HA 0.225 4.572 4.340 0.012 0.000 0.250 822 Q C -1.408 174.503 176.000 -0.147 0.000 1.006 822 Q CA -0.476 55.199 55.803 -0.212 0.000 0.759 822 Q CB 0.969 29.475 28.738 -0.387 0.000 1.201 822 Q HN 0.343 nan 8.270 nan 0.000 0.486 823 V N -0.526 119.365 119.914 -0.038 0.000 2.732 823 V HA 0.398 4.526 4.120 0.012 0.000 0.297 823 V C 0.029 176.240 176.094 0.196 0.000 1.060 823 V CA -0.604 61.774 62.300 0.129 0.000 1.038 823 V CB 1.597 33.432 31.823 0.020 0.000 1.003 823 V HN 0.631 nan 8.190 nan 0.000 0.481 824 E N 3.946 124.389 120.200 0.405 0.000 2.173 824 E HA 0.415 4.772 4.350 0.012 0.000 0.249 824 E C 0.000 176.654 176.600 0.091 0.000 0.923 824 E CA -0.696 55.872 56.400 0.279 0.000 0.754 824 E CB 0.974 30.905 29.700 0.385 0.000 1.177 824 E HN 0.825 nan 8.360 nan 0.000 0.430 825 I N 1.258 121.854 120.570 0.043 0.000 3.327 825 I HA 0.302 4.479 4.170 0.012 0.000 0.280 825 I C 0.066 176.176 176.117 -0.012 0.000 1.207 825 I CA -0.526 60.775 61.300 0.001 0.000 1.280 825 I CB 0.563 38.554 38.000 -0.015 0.000 1.417 825 I HN 0.429 nan 8.210 nan 0.000 0.639 826 R N 2.545 123.019 120.500 -0.043 0.000 2.626 826 R HA 0.782 5.129 4.340 0.012 0.000 0.274 826 R C -1.796 174.457 176.300 -0.079 0.000 1.031 826 R CA -0.911 55.128 56.100 -0.102 0.000 0.898 826 R CB 1.703 31.935 30.300 -0.113 0.000 1.222 826 R HN 0.833 nan 8.270 nan 0.000 0.455 827 A N 3.388 126.144 122.820 -0.105 0.000 2.322 827 A HA 0.450 4.778 4.320 0.012 0.000 0.327 827 A C -0.196 177.309 177.584 -0.132 0.000 1.394 827 A CA -0.750 51.248 52.037 -0.064 0.000 0.921 827 A CB 0.795 19.828 19.000 0.055 0.000 1.153 827 A HN 0.475 nan 8.150 nan 0.000 0.523 828 V N 3.700 123.511 119.914 -0.172 0.000 2.572 828 V HA 0.243 4.370 4.120 0.012 0.000 0.291 828 V C 0.095 175.955 176.094 -0.390 0.000 1.039 828 V CA 0.288 62.411 62.300 -0.293 0.000 1.055 828 V CB 0.500 32.142 31.823 -0.302 0.000 0.969 828 V HN 0.678 nan 8.190 nan 0.000 0.482 829 L N 5.506 126.470 121.223 -0.431 0.000 2.356 829 L HA 0.560 4.907 4.340 0.012 0.000 0.277 829 L C -1.184 175.434 176.870 -0.420 0.000 0.996 829 L CA -0.605 54.037 54.840 -0.331 0.000 0.822 829 L CB 1.510 43.569 42.059 -0.001 0.000 1.256 829 L HN 0.498 nan 8.230 nan 0.000 0.413 830 Y N 1.406 121.638 120.300 -0.113 0.000 2.341 830 Y HA 0.347 4.905 4.550 0.012 0.000 0.337 830 Y C 0.265 176.154 175.900 -0.018 0.000 1.014 830 Y CA -0.563 57.471 58.100 -0.110 0.000 1.111 830 Y CB 1.463 39.835 38.460 -0.147 0.000 1.194 830 Y HN 0.488 nan 8.280 nan 0.000 0.462 831 N N 2.297 121.044 118.700 0.078 0.000 2.511 831 N HA 0.158 4.905 4.740 0.012 0.000 0.249 831 N C -0.684 174.839 175.510 0.021 0.000 0.971 831 N CA -0.402 52.741 53.050 0.156 0.000 0.938 831 N CB 0.317 38.896 38.487 0.152 0.000 1.131 831 N HN 0.560 nan 8.380 nan 0.000 0.505 832 Y N 1.645 122.050 120.300 0.176 0.000 2.490 832 Y HA 0.244 4.801 4.550 0.012 0.000 0.285 832 Y C 0.767 176.717 175.900 0.084 0.000 1.117 832 Y CA 0.058 58.226 58.100 0.114 0.000 1.262 832 Y CB 0.230 38.741 38.460 0.085 0.000 1.043 832 Y HN 0.244 nan 8.280 nan 0.000 0.553 833 R N 1.857 122.491 120.500 0.223 0.000 2.523 833 R HA -0.115 4.232 4.340 0.012 0.000 0.281 833 R C 0.845 177.211 176.300 0.110 0.000 0.969 833 R CA 0.399 56.584 56.100 0.140 0.000 1.093 833 R CB 0.177 30.543 30.300 0.111 0.000 0.917 833 R HN 0.493 nan 8.270 nan 0.000 0.408 834 Q N 1.349 121.204 119.800 0.091 0.000 2.331 834 Q HA -0.007 4.341 4.340 0.012 0.000 0.203 834 Q C 0.159 176.194 176.000 0.058 0.000 0.944 834 Q CA 0.772 56.619 55.803 0.073 0.000 0.892 834 Q CB 0.373 29.150 28.738 0.064 0.000 0.983 834 Q HN 0.507 nan 8.270 nan 0.000 0.482 835 N N 0.366 119.101 118.700 0.059 0.000 2.595 835 N HA 0.175 4.922 4.740 0.012 0.000 0.291 835 N C -1.358 174.184 175.510 0.053 0.000 1.706 835 N CA 0.113 53.193 53.050 0.049 0.000 0.867 835 N CB 1.210 39.721 38.487 0.041 0.000 1.414 835 N HN 0.098 nan 8.380 nan 0.000 0.492 836 Q N 0.999 120.838 119.800 0.064 0.000 2.313 836 Q HA 0.108 4.456 4.340 0.012 0.000 0.255 836 Q C -1.148 174.900 176.000 0.080 0.000 0.944 836 Q CA -0.463 55.384 55.803 0.074 0.000 0.881 836 Q CB 2.437 31.235 28.738 0.101 0.000 1.375 836 Q HN 0.309 nan 8.270 nan 0.000 0.422 837 E N 3.662 123.901 120.200 0.064 0.000 2.316 837 E HA 0.350 4.708 4.350 0.012 0.000 0.275 837 E C -0.696 175.953 176.600 0.082 0.000 1.029 837 E CA -0.311 56.126 56.400 0.062 0.000 0.871 837 E CB 1.067 30.788 29.700 0.035 0.000 1.022 837 E HN 0.375 nan 8.360 nan 0.000 0.418 838 L N 3.149 124.429 121.223 0.096 0.000 2.312 838 L HA 0.324 4.671 4.340 0.012 0.000 0.281 838 L C 0.378 177.288 176.870 0.066 0.000 1.070 838 L CA -0.635 54.271 54.840 0.109 0.000 0.805 838 L CB 1.151 43.278 42.059 0.113 0.000 1.174 838 L HN 0.563 nan 8.230 nan 0.000 0.434 839 K N 2.622 123.062 120.400 0.066 0.000 2.185 839 K HA 0.643 4.970 4.320 0.012 0.000 0.269 839 K C -1.416 175.259 176.600 0.125 0.000 0.987 839 K CA -0.510 55.779 56.287 0.003 0.000 0.865 839 K CB 1.572 33.968 32.500 -0.174 0.000 1.090 839 K HN 0.340 nan 8.250 nan 0.000 0.450 840 V N 4.069 124.051 119.914 0.112 0.000 2.789 840 V HA 0.401 4.528 4.120 0.012 0.000 0.311 840 V C -0.525 175.682 176.094 0.189 0.000 1.073 840 V CA -1.029 61.328 62.300 0.095 0.000 0.921 840 V CB 1.826 33.622 31.823 -0.046 0.000 1.009 840 V HN 0.722 nan 8.190 nan 0.000 0.426 841 R N 2.841 123.421 120.500 0.132 0.000 2.215 841 R HA 0.589 4.936 4.340 0.012 0.000 0.337 841 R C -1.378 174.956 176.300 0.056 0.000 1.010 841 R CA -0.114 56.044 56.100 0.096 0.000 0.871 841 R CB 1.370 31.652 30.300 -0.029 0.000 1.134 841 R HN 0.561 nan 8.270 nan 0.000 0.477 842 V N 4.013 123.982 119.914 0.092 0.000 2.483 842 V HA 0.457 4.584 4.120 0.012 0.000 0.295 842 V C -0.704 175.467 176.094 0.129 0.000 1.035 842 V CA -0.474 61.906 62.300 0.132 0.000 0.896 842 V CB 1.793 33.724 31.823 0.179 0.000 0.986 842 V HN 0.855 nan 8.190 nan 0.000 0.447 843 E N 4.477 124.752 120.200 0.125 0.000 2.314 843 E HA 0.462 4.819 4.350 0.012 0.000 0.272 843 E C -1.945 174.678 176.600 0.038 0.000 0.884 843 E CA -0.929 55.521 56.400 0.082 0.000 0.753 843 E CB 2.156 31.881 29.700 0.041 0.000 1.213 843 E HN 0.672 nan 8.360 nan 0.000 0.432 844 L N 4.659 125.827 121.223 -0.091 0.000 2.275 844 L HA 0.374 4.721 4.340 0.012 0.000 0.288 844 L C -1.472 175.362 176.870 -0.061 0.000 1.046 844 L CA -0.444 54.255 54.840 -0.235 0.000 0.805 844 L CB 0.847 42.452 42.059 -0.757 0.000 1.193 844 L HN 0.513 nan 8.230 nan 0.000 0.426 845 L N 4.281 125.499 121.223 -0.009 0.000 2.399 845 L HA 0.336 4.683 4.340 0.012 0.000 0.266 845 L C -0.150 176.746 176.870 0.044 0.000 1.114 845 L CA -0.127 54.734 54.840 0.034 0.000 0.804 845 L CB 0.606 42.686 42.059 0.035 0.000 1.146 845 L HN 0.703 nan 8.230 nan 0.000 0.451 846 H N 2.402 121.443 119.070 -0.049 0.000 2.683 846 H HA 0.325 4.888 4.556 0.012 0.000 0.339 846 H C -0.451 174.767 175.328 -0.184 0.000 1.081 846 H CA 0.268 56.255 56.048 -0.101 0.000 1.432 846 H CB 0.464 30.179 29.762 -0.078 0.000 1.462 846 H HN 0.632 nan 8.280 nan 0.000 0.557 847 N N 5.545 123.609 118.700 -1.060 0.000 2.549 847 N HA 0.144 4.892 4.740 0.012 0.000 0.290 847 N C -2.267 172.544 175.510 -1.165 0.000 1.122 847 N CA -1.833 50.583 53.050 -1.055 0.000 0.885 847 N CB 1.575 39.452 38.487 -1.016 0.000 1.455 847 N HN 0.425 nan 8.380 nan 0.000 0.521 848 P HA -0.113 nan 4.420 nan 0.000 0.223 848 P C 1.047 178.155 177.300 -0.320 0.000 1.144 848 P CA 0.674 63.523 63.100 -0.419 0.000 0.783 848 P CB 0.234 31.833 31.700 -0.169 0.000 0.771 849 A N 0.032 122.608 122.820 -0.407 0.000 1.940 849 A HA -0.070 4.257 4.320 0.012 0.000 0.219 849 A C 0.995 178.515 177.584 -0.105 0.000 1.176 849 A CA 1.258 53.159 52.037 -0.228 0.000 0.631 849 A CB -1.200 17.697 19.000 -0.172 0.000 0.814 849 A HN 0.366 nan 8.150 nan 0.000 0.446 850 F N -4.496 115.396 119.950 -0.096 0.000 2.576 850 F HA 0.600 5.134 4.527 0.011 0.000 0.313 850 F C -0.521 175.234 175.800 -0.075 0.000 1.078 850 F CA -2.214 55.739 58.000 -0.077 0.000 0.921 850 F CB 0.196 39.148 39.000 -0.079 0.000 1.232 850 F HN -0.174 nan 8.300 nan 0.000 0.459 851 c N 3.406 122.101 118.600 0.158 0.000 2.663 851 c HA 0.499 5.076 4.570 0.012 0.000 0.398 851 c C 0.730 174.907 174.090 0.145 0.000 1.356 851 c CA 0.047 56.435 56.329 0.099 0.000 1.629 851 c CB -2.011 40.524 42.510 0.041 0.000 2.402 851 c HN 0.870 nan 8.230 nan 0.000 0.598 852 S N 3.368 119.147 115.700 0.132 0.000 2.715 852 S HA 0.538 5.015 4.470 0.012 0.000 0.307 852 S C 0.339 174.919 174.600 -0.033 0.000 1.119 852 S CA -0.811 57.433 58.200 0.073 0.000 0.937 852 S CB 0.833 64.116 63.200 0.139 0.000 1.150 852 S HN 0.408 nan 8.310 nan 0.000 0.521 853 L N 0.699 121.821 121.223 -0.168 0.000 2.549 853 L HA 0.361 4.708 4.340 0.012 0.000 0.229 853 L C 0.925 177.701 176.870 -0.157 0.000 1.158 853 L CA 0.796 55.481 54.840 -0.259 0.000 0.842 853 L CB -1.453 40.285 42.059 -0.534 0.000 0.952 853 L HN 0.868 nan 8.230 nan 0.000 0.452 854 A N -0.587 122.191 122.820 -0.070 0.000 2.252 854 A HA 0.587 4.914 4.320 0.012 0.000 0.309 854 A C 0.360 178.005 177.584 0.101 0.000 1.285 854 A CA 0.033 52.100 52.037 0.050 0.000 0.900 854 A CB -0.156 18.893 19.000 0.082 0.000 1.157 854 A HN 0.414 nan 8.150 nan 0.000 0.536 855 T N -0.862 113.674 114.554 -0.029 0.000 2.940 855 T HA 0.461 4.818 4.350 0.012 0.000 0.288 855 T C 1.186 175.597 174.700 -0.481 0.000 1.045 855 T CA 0.144 62.111 62.100 -0.223 0.000 1.018 855 T CB 0.878 69.678 68.868 -0.113 0.000 1.151 855 T HN 0.360 nan 8.240 nan 0.000 0.529 856 T N 0.572 114.681 114.554 -0.743 0.000 2.737 856 T HA -0.116 4.241 4.350 0.012 0.000 0.269 856 T C 1.888 176.462 174.700 -0.210 0.000 1.040 856 T CA 1.109 62.928 62.100 -0.469 0.000 1.142 856 T CB -0.312 68.368 68.868 -0.314 0.000 0.861 856 T HN 0.464 nan 8.240 nan 0.000 0.456 857 K N 1.965 122.273 120.400 -0.154 0.000 1.971 857 K HA -0.067 4.260 4.320 0.012 0.000 0.221 857 K C 1.139 177.700 176.600 -0.066 0.000 1.050 857 K CA 1.490 57.728 56.287 -0.082 0.000 0.967 857 K CB -0.177 32.288 32.500 -0.059 0.000 0.733 857 K HN 0.602 nan 8.250 nan 0.000 0.445 858 R N 0.212 120.679 120.500 -0.056 0.000 2.807 858 R HA 0.430 4.777 4.340 0.012 0.000 0.276 858 R C -0.362 175.933 176.300 -0.009 0.000 0.979 858 R CA -0.939 55.145 56.100 -0.027 0.000 0.928 858 R CB 1.411 31.705 30.300 -0.010 0.000 1.191 858 R HN -0.048 nan 8.270 nan 0.000 0.471 859 R N 0.651 121.155 120.500 0.007 0.000 2.747 859 R HA 0.195 4.542 4.340 0.012 0.000 0.278 859 R C -0.262 176.097 176.300 0.099 0.000 1.153 859 R CA -0.726 55.398 56.100 0.039 0.000 1.206 859 R CB 0.301 30.613 30.300 0.021 0.000 1.161 859 R HN 0.679 nan 8.270 nan 0.000 0.589 860 H N 0.795 119.861 119.070 -0.006 0.000 2.448 860 H HA 0.112 4.675 4.556 0.012 0.000 0.237 860 H C -1.104 174.239 175.328 0.025 0.000 1.391 860 H CA -0.503 55.549 56.048 0.008 0.000 1.477 860 H CB 0.587 30.347 29.762 -0.004 0.000 1.520 860 H HN 0.618 nan 8.280 nan 0.000 0.502 861 Q N 2.806 122.513 119.800 -0.154 0.000 2.306 861 Q HA 0.437 4.784 4.340 0.012 0.000 0.265 861 Q C -1.017 174.890 176.000 -0.156 0.000 1.022 861 Q CA -1.157 54.581 55.803 -0.108 0.000 0.853 861 Q CB 2.726 31.437 28.738 -0.045 0.000 1.327 861 Q HN 0.580 nan 8.270 nan 0.000 0.449 862 Q N -0.105 119.647 119.800 -0.079 0.000 2.340 862 Q HA 0.486 4.833 4.340 0.012 0.000 0.276 862 Q C -1.282 174.724 176.000 0.011 0.000 1.048 862 Q CA -0.853 54.914 55.803 -0.060 0.000 0.832 862 Q CB 1.751 30.439 28.738 -0.084 0.000 1.373 862 Q HN 0.490 nan 8.270 nan 0.000 0.409 863 T N 1.761 116.321 114.554 0.010 0.000 2.869 863 T HA 0.513 4.870 4.350 0.012 0.000 0.295 863 T C -0.139 174.556 174.700 -0.010 0.000 0.987 863 T CA -0.357 61.762 62.100 0.032 0.000 1.109 863 T CB 0.785 69.641 68.868 -0.020 0.000 0.932 863 T HN 0.527 nan 8.240 nan 0.000 0.518 864 V N 0.674 120.592 119.914 0.006 0.000 2.971 864 V HA 0.751 4.878 4.120 0.012 0.000 0.309 864 V C -0.363 175.725 176.094 -0.009 0.000 1.130 864 V CA -0.990 61.308 62.300 -0.002 0.000 0.964 864 V CB 2.149 33.984 31.823 0.020 0.000 1.029 864 V HN 0.767 nan 8.190 nan 0.000 0.427 865 T N 4.807 119.352 114.554 -0.014 0.000 2.791 865 T HA 0.619 4.976 4.350 0.012 0.000 0.288 865 T C -0.418 174.290 174.700 0.014 0.000 0.999 865 T CA -0.023 62.070 62.100 -0.011 0.000 0.952 865 T CB 1.139 69.987 68.868 -0.034 0.000 0.938 865 T HN 0.884 nan 8.240 nan 0.000 0.444 866 I N 5.162 125.755 120.570 0.038 0.000 2.354 866 I HA 0.481 4.658 4.170 0.012 0.000 0.292 866 I C -2.575 173.568 176.117 0.045 0.000 0.989 866 I CA -2.894 58.432 61.300 0.044 0.000 1.188 866 I CB 1.859 39.895 38.000 0.059 0.000 1.342 866 I HN 0.338 nan 8.210 nan 0.000 0.457 867 P HA 0.164 nan 4.420 nan 0.000 0.269 867 P C -2.572 174.751 177.300 0.038 0.000 1.217 867 P CA -0.687 62.430 63.100 0.028 0.000 0.783 867 P CB -0.253 31.458 31.700 0.018 0.000 0.898 868 P HA 0.035 nan 4.420 nan 0.000 0.269 868 P C -0.404 176.918 177.300 0.037 0.000 1.209 868 P CA 0.161 63.290 63.100 0.048 0.000 0.776 868 P CB 0.101 31.828 31.700 0.045 0.000 0.876 869 K N -0.351 120.073 120.400 0.040 0.000 3.177 869 K HA -0.153 4.174 4.320 0.012 0.000 0.266 869 K C 0.070 176.671 176.600 0.002 0.000 0.937 869 K CA 0.873 57.173 56.287 0.022 0.000 0.702 869 K CB -1.640 30.883 32.500 0.038 0.000 1.365 869 K HN 0.759 nan 8.250 nan 0.000 0.466 870 S N -2.462 113.231 115.700 -0.012 0.000 2.800 870 S HA 0.730 5.207 4.470 0.012 0.000 0.293 870 S C -0.664 173.922 174.600 -0.024 0.000 1.209 870 S CA -0.298 57.899 58.200 -0.006 0.000 0.884 870 S CB 2.098 65.300 63.200 0.004 0.000 1.244 870 S HN 0.409 nan 8.310 nan 0.000 0.540 871 S N -0.221 115.445 115.700 -0.057 0.000 2.651 871 S HA 0.882 5.359 4.470 0.012 0.000 0.279 871 S C -1.506 172.998 174.600 -0.159 0.000 1.148 871 S CA -0.723 57.361 58.200 -0.194 0.000 0.837 871 S CB 1.334 64.282 63.200 -0.421 0.000 1.138 871 S HN 1.734 nan 8.310 nan 0.000 0.478 872 L N 0.560 121.657 121.223 -0.210 0.000 2.472 872 L HA 0.815 5.162 4.340 0.012 0.000 0.260 872 L C -0.843 175.927 176.870 -0.167 0.000 0.963 872 L CA -0.118 54.639 54.840 -0.138 0.000 0.829 872 L CB 2.208 44.227 42.059 -0.067 0.000 1.348 872 L HN 0.894 nan 8.230 nan 0.000 0.408 873 S N 2.750 118.371 115.700 -0.131 0.000 2.451 873 S HA 0.805 5.282 4.470 0.012 0.000 0.301 873 S C -1.141 173.379 174.600 -0.132 0.000 1.116 873 S CA -0.470 57.646 58.200 -0.142 0.000 1.093 873 S CB 1.023 64.153 63.200 -0.117 0.000 1.017 873 S HN 0.504 nan 8.310 nan 0.000 0.482 874 V N 8.191 127.998 119.914 -0.179 0.000 2.326 874 V HA 0.439 4.566 4.120 0.012 0.000 0.281 874 V C -2.134 173.675 176.094 -0.474 0.000 1.015 874 V CA -1.922 60.220 62.300 -0.264 0.000 0.823 874 V CB 1.252 32.937 31.823 -0.230 0.000 1.009 874 V HN 0.742 nan 8.190 nan 0.000 0.436 875 P HA 0.218 nan 4.420 nan 0.000 0.269 875 P C -1.524 175.451 177.300 -0.541 0.000 1.209 875 P CA 0.104 62.996 63.100 -0.347 0.000 0.776 875 P CB 0.570 32.183 31.700 -0.145 0.000 0.876 876 Y N -0.391 119.923 120.300 0.025 0.000 2.433 876 Y HA 0.230 4.788 4.550 0.012 0.000 0.337 876 Y C -0.042 175.853 175.900 -0.009 0.000 1.026 876 Y CA -1.144 56.959 58.100 0.005 0.000 1.037 876 Y CB 1.630 40.084 38.460 -0.010 0.000 1.245 876 Y HN 0.015 nan 8.280 nan 0.000 0.443 877 V N 5.531 125.529 119.914 0.139 0.000 2.432 877 V HA 0.455 4.582 4.120 0.012 0.000 0.271 877 V C 0.002 176.066 176.094 -0.051 0.000 1.046 877 V CA -0.466 61.838 62.300 0.007 0.000 0.945 877 V CB 0.348 32.116 31.823 -0.092 0.000 0.992 877 V HN 0.624 nan 8.190 nan 0.000 0.471 878 I N 2.713 123.222 120.570 -0.103 0.000 2.499 878 I HA 0.717 4.894 4.170 0.012 0.000 0.288 878 I C -0.776 175.270 176.117 -0.118 0.000 1.048 878 I CA -0.815 60.412 61.300 -0.121 0.000 1.062 878 I CB 2.251 40.051 38.000 -0.332 0.000 1.238 878 I HN 0.211 nan 8.210 nan 0.000 0.426 879 V N 6.935 126.827 119.914 -0.037 0.000 2.275 879 V HA 0.410 4.537 4.120 0.012 0.000 0.272 879 V C -2.153 173.978 176.094 0.061 0.000 1.028 879 V CA -1.491 60.792 62.300 -0.029 0.000 0.810 879 V CB 0.874 32.667 31.823 -0.051 0.000 1.043 879 V HN 0.656 nan 8.190 nan 0.000 0.453 880 P HA 0.203 nan 4.420 nan 0.000 0.276 880 P C 0.235 177.579 177.300 0.073 0.000 1.253 880 P CA -0.099 63.071 63.100 0.116 0.000 0.766 880 P CB 1.698 33.426 31.700 0.048 0.000 0.845 881 L N 2.193 123.463 121.223 0.080 0.000 2.354 881 L HA 0.135 4.482 4.340 0.012 0.000 0.212 881 L C 1.149 178.041 176.870 0.036 0.000 1.091 881 L CA 1.343 56.212 54.840 0.049 0.000 0.828 881 L CB -0.356 41.730 42.059 0.046 0.000 0.973 881 L HN 0.237 nan 8.230 nan 0.000 0.461 882 K N 0.310 120.732 120.400 0.036 0.000 2.259 882 K HA 0.483 4.810 4.320 0.012 0.000 0.252 882 K C -0.141 176.471 176.600 0.021 0.000 0.936 882 K CA -0.364 55.936 56.287 0.021 0.000 0.810 882 K CB 1.556 34.062 32.500 0.009 0.000 1.143 882 K HN -0.033 nan 8.250 nan 0.000 0.427 883 T N -1.348 113.212 114.554 0.009 0.000 2.828 883 T HA 0.683 5.040 4.350 0.012 0.000 0.290 883 T C 0.727 175.428 174.700 0.001 0.000 1.019 883 T CA 0.098 62.199 62.100 0.002 0.000 1.031 883 T CB 1.220 70.086 68.868 -0.002 0.000 1.001 883 T HN 0.811 nan 8.240 nan 0.000 0.531 884 G N 0.338 109.135 108.800 -0.006 0.000 2.409 884 G HA2 0.070 4.037 3.960 0.012 0.000 0.421 884 G HA3 0.070 4.037 3.960 0.012 0.000 0.421 884 G C -1.261 173.636 174.900 -0.005 0.000 1.259 884 G CA -0.865 44.233 45.100 -0.004 0.000 1.011 884 G HN 0.920 nan 8.290 nan 0.000 0.497 885 L N 1.440 122.664 121.223 0.001 0.000 2.260 885 L HA 0.444 4.791 4.340 0.012 0.000 0.289 885 L C 0.104 176.989 176.870 0.024 0.000 1.057 885 L CA -0.655 54.188 54.840 0.005 0.000 0.811 885 L CB 1.327 43.391 42.059 0.007 0.000 1.184 885 L HN 0.424 nan 8.230 nan 0.000 0.429 886 Q N 3.374 123.201 119.800 0.044 0.000 2.274 886 Q HA 0.349 4.697 4.340 0.012 0.000 0.260 886 Q C -0.650 175.417 176.000 0.111 0.000 0.974 886 Q CA -0.767 55.095 55.803 0.099 0.000 0.876 886 Q CB 2.051 30.913 28.738 0.208 0.000 1.297 886 Q HN 0.356 nan 8.270 nan 0.000 0.446 887 E N 1.716 121.985 120.200 0.115 0.000 2.152 887 E HA 0.250 4.607 4.350 0.012 0.000 0.285 887 E C -0.502 176.210 176.600 0.186 0.000 1.043 887 E CA -0.378 56.084 56.400 0.102 0.000 0.839 887 E CB 1.125 30.861 29.700 0.061 0.000 1.069 887 E HN 0.199 nan 8.360 nan 0.000 0.399 888 V N 3.255 123.243 119.914 0.123 0.000 2.394 888 V HA 0.235 4.362 4.120 0.012 0.000 0.282 888 V C 0.307 176.446 176.094 0.074 0.000 1.031 888 V CA -0.481 61.894 62.300 0.124 0.000 0.881 888 V CB 1.374 33.168 31.823 -0.049 0.000 0.982 888 V HN 0.582 nan 8.190 nan 0.000 0.451 889 E N 3.654 123.906 120.200 0.087 0.000 2.241 889 E HA 0.581 4.938 4.350 0.012 0.000 0.263 889 E C -1.193 175.438 176.600 0.052 0.000 0.882 889 E CA -0.614 55.825 56.400 0.063 0.000 0.769 889 E CB 2.207 31.945 29.700 0.064 0.000 1.185 889 E HN 0.621 nan 8.360 nan 0.000 0.415 890 V N 1.806 121.758 119.914 0.064 0.000 2.472 890 V HA 0.639 4.767 4.120 0.012 0.000 0.290 890 V C -0.489 175.663 176.094 0.098 0.000 1.037 890 V CA -0.769 61.582 62.300 0.085 0.000 0.908 890 V CB 1.524 33.443 31.823 0.159 0.000 0.985 890 V HN 0.481 nan 8.190 nan 0.000 0.454 891 K N 3.023 123.482 120.400 0.098 0.000 2.259 891 K HA 0.862 5.189 4.320 0.012 0.000 0.252 891 K C -0.607 176.066 176.600 0.121 0.000 0.936 891 K CA -0.383 55.965 56.287 0.102 0.000 0.810 891 K CB 2.280 34.823 32.500 0.072 0.000 1.143 891 K HN 1.112 nan 8.250 nan 0.000 0.427 892 A N 1.202 124.111 122.820 0.149 0.000 2.398 892 A HA 0.758 5.085 4.320 0.012 0.000 0.301 892 A C -1.349 176.277 177.584 0.071 0.000 1.041 892 A CA -0.676 51.454 52.037 0.154 0.000 0.711 892 A CB 1.605 20.804 19.000 0.332 0.000 1.240 892 A HN 0.611 nan 8.150 nan 0.000 0.420 893 A N 2.042 124.838 122.820 -0.041 0.000 2.340 893 A HA 0.625 4.952 4.320 0.012 0.000 0.297 893 A C 0.047 177.495 177.584 -0.226 0.000 1.195 893 A CA -0.181 51.770 52.037 -0.142 0.000 0.769 893 A CB 0.457 19.342 19.000 -0.193 0.000 1.163 893 A HN 2.218 nan 8.150 nan 0.000 0.472 894 V N 1.398 121.159 119.914 -0.256 0.000 2.775 894 V HA 0.493 4.620 4.120 0.012 0.000 0.299 894 V C -0.405 175.619 176.094 -0.116 0.000 1.062 894 V CA -0.359 61.823 62.300 -0.196 0.000 1.063 894 V CB 0.056 31.711 31.823 -0.280 0.000 0.994 894 V HN 0.613 nan 8.190 nan 0.000 0.483 895 Y N 5.764 125.992 120.300 -0.120 0.000 2.425 895 Y HA 0.348 4.905 4.550 0.012 0.000 0.331 895 Y C 1.442 177.277 175.900 -0.109 0.000 1.157 895 Y CA 1.302 59.289 58.100 -0.188 0.000 1.372 895 Y CB 0.083 38.470 38.460 -0.122 0.000 1.253 895 Y HN 0.973 nan 8.280 nan 0.000 0.536 896 H N -0.877 118.146 119.070 -0.079 0.000 4.843 896 H HA -0.253 4.310 4.556 0.012 0.000 0.075 896 H C 0.092 175.305 175.328 -0.191 0.000 0.584 896 H CA 1.399 57.356 56.048 -0.151 0.000 1.038 896 H CB -1.170 28.476 29.762 -0.193 0.000 0.452 896 H HN 0.690 nan 8.280 nan 0.000 0.765 897 H N 0.813 119.956 119.070 0.123 0.000 2.707 897 H HA 0.099 4.663 4.556 0.012 0.000 0.359 897 H C 0.624 175.970 175.328 0.030 0.000 1.113 897 H CA 0.256 56.361 56.048 0.094 0.000 1.422 897 H CB 0.179 29.992 29.762 0.086 0.000 1.443 897 H HN 0.163 nan 8.280 nan 0.000 0.591 898 F N 1.892 121.922 119.950 0.134 0.000 2.777 898 F HA 0.110 4.644 4.527 0.012 0.000 0.291 898 F C 0.367 176.211 175.800 0.074 0.000 1.187 898 F CA -0.368 57.670 58.000 0.064 0.000 1.406 898 F CB 0.113 39.141 39.000 0.046 0.000 0.982 898 F HN 0.323 nan 8.300 nan 0.000 0.509 899 I N 1.181 121.892 120.570 0.234 0.000 2.576 899 I HA -0.052 4.126 4.170 0.012 0.000 0.288 899 I C 0.681 176.887 176.117 0.148 0.000 1.126 899 I CA 0.519 61.934 61.300 0.192 0.000 1.362 899 I CB -0.030 38.054 38.000 0.139 0.000 1.419 899 I HN 0.016 nan 8.210 nan 0.000 0.533 900 S N 5.483 121.309 115.700 0.210 0.000 2.426 900 S HA 0.311 4.788 4.470 0.012 0.000 0.236 900 S C -0.380 174.338 174.600 0.197 0.000 1.368 900 S CA -0.644 57.659 58.200 0.171 0.000 1.154 900 S CB 0.139 63.457 63.200 0.197 0.000 1.037 900 S HN 0.594 nan 8.310 nan 0.000 0.481 901 D N 1.975 122.530 120.400 0.258 0.000 2.326 901 D HA 0.855 5.503 4.640 0.012 0.000 0.248 901 D C 0.015 176.454 176.300 0.232 0.000 1.001 901 D CA 0.042 54.210 54.000 0.281 0.000 0.961 901 D CB 1.827 42.871 40.800 0.407 0.000 1.183 901 D HN 0.647 nan 8.370 nan 0.000 0.502 902 G N -0.435 108.472 108.800 0.178 0.000 2.732 902 G HA2 0.509 4.476 3.960 0.012 0.000 0.296 902 G HA3 0.509 4.476 3.960 0.012 0.000 0.296 902 G C -1.822 173.153 174.900 0.126 0.000 1.448 902 G CA -0.428 44.756 45.100 0.140 0.000 0.911 902 G HN 0.405 nan 8.290 nan 0.000 0.528 903 V N 1.088 121.065 119.914 0.104 0.000 2.540 903 V HA 0.708 4.835 4.120 0.012 0.000 0.302 903 V C -0.013 176.142 176.094 0.101 0.000 1.035 903 V CA -0.852 61.520 62.300 0.119 0.000 0.873 903 V CB 1.885 33.739 31.823 0.051 0.000 0.992 903 V HN 0.785 nan 8.190 nan 0.000 0.428 904 R N 4.271 124.856 120.500 0.141 0.000 2.513 904 R HA 0.472 4.819 4.340 0.012 0.000 0.283 904 R C -0.515 175.829 176.300 0.074 0.000 1.535 904 R CA -0.489 55.672 56.100 0.101 0.000 1.315 904 R CB 0.761 31.128 30.300 0.112 0.000 1.163 904 R HN 0.684 nan 8.270 nan 0.000 0.573 905 K N 0.601 120.975 120.400 -0.043 0.000 2.240 905 K HA 0.468 4.795 4.320 0.012 0.000 0.237 905 K C -0.644 175.925 176.600 -0.053 0.000 1.027 905 K CA -0.669 55.536 56.287 -0.137 0.000 0.937 905 K CB 1.628 33.965 32.500 -0.271 0.000 1.171 905 K HN 0.312 nan 8.250 nan 0.000 0.479 906 S N 1.626 117.289 115.700 -0.062 0.000 2.756 906 S HA 0.290 4.767 4.470 0.012 0.000 0.303 906 S C -0.845 173.726 174.600 -0.049 0.000 1.135 906 S CA -0.905 57.281 58.200 -0.024 0.000 1.066 906 S CB 0.356 63.561 63.200 0.008 0.000 1.008 906 S HN 0.509 nan 8.310 nan 0.000 0.482 907 L N 1.708 122.894 121.223 -0.061 0.000 2.334 907 L HA 0.704 5.051 4.340 0.012 0.000 0.277 907 L C -0.197 176.624 176.870 -0.081 0.000 1.075 907 L CA -0.814 53.971 54.840 -0.091 0.000 0.804 907 L CB 0.754 42.735 42.059 -0.131 0.000 1.174 907 L HN 0.546 nan 8.230 nan 0.000 0.438 908 K N 3.075 123.403 120.400 -0.120 0.000 2.234 908 K HA 0.529 4.856 4.320 0.012 0.000 0.277 908 K C -1.178 175.340 176.600 -0.136 0.000 1.038 908 K CA -0.753 55.463 56.287 -0.118 0.000 0.888 908 K CB 1.666 34.081 32.500 -0.140 0.000 1.091 908 K HN 0.514 nan 8.250 nan 0.000 0.467 909 V N 4.882 124.749 119.914 -0.079 0.000 2.353 909 V HA 0.146 4.273 4.120 0.012 0.000 0.264 909 V C 0.420 176.479 176.094 -0.059 0.000 1.049 909 V CA -0.884 61.376 62.300 -0.066 0.000 0.896 909 V CB 0.343 32.153 31.823 -0.022 0.000 1.025 909 V HN 0.703 nan 8.190 nan 0.000 0.475 910 V N 3.680 123.549 119.914 -0.077 0.000 2.997 910 V HA 0.707 4.834 4.120 0.012 0.000 0.311 910 V C -2.367 173.713 176.094 -0.023 0.000 1.066 910 V CA -2.254 60.017 62.300 -0.048 0.000 1.039 910 V CB 1.577 33.366 31.823 -0.057 0.000 1.081 910 V HN 0.702 nan 8.190 nan 0.000 0.467 911 P HA 0.574 nan 4.420 nan 0.000 0.199 911 P C -0.607 176.699 177.300 0.010 0.000 1.878 911 P CA -0.163 62.938 63.100 0.002 0.000 1.202 911 P CB 0.092 31.794 31.700 0.003 0.000 1.719 912 E N -0.734 119.474 120.200 0.013 0.000 6.196 912 E HA 0.018 4.375 4.350 0.012 0.000 0.553 912 E C 0.158 176.777 176.600 0.031 0.000 1.416 912 E CA -0.314 56.099 56.400 0.022 0.000 3.029 912 E CB -1.290 28.422 29.700 0.020 0.000 0.792 912 E HN 0.395 nan 8.360 nan 0.000 0.262 913 G N 0.011 108.832 108.800 0.034 0.000 2.529 913 G HA2 0.375 4.342 3.960 0.012 0.000 0.277 913 G HA3 0.375 4.342 3.960 0.012 0.000 0.277 913 G C 0.429 175.353 174.900 0.040 0.000 1.383 913 G CA -0.110 45.015 45.100 0.041 0.000 1.050 913 G HN 0.302 nan 8.290 nan 0.000 0.526 914 I N 0.325 120.918 120.570 0.040 0.000 3.764 914 I HA 0.263 4.440 4.170 0.012 0.000 0.336 914 I C 1.337 177.471 176.117 0.028 0.000 1.465 914 I CA -0.171 61.151 61.300 0.036 0.000 1.221 914 I CB -0.450 37.572 38.000 0.036 0.000 1.348 914 I HN 0.203 nan 8.210 nan 0.000 0.432 920 V N 2.730 122.652 119.914 0.012 0.000 2.332 920 V HA -0.125 4.002 4.120 0.012 0.000 0.248 920 V C 2.982 179.083 176.094 0.011 0.000 1.055 920 V CA 2.524 64.831 62.300 0.011 0.000 1.038 920 V CB -1.253 30.577 31.823 0.012 0.000 0.651 920 V HN 0.666 nan 8.190 nan 0.000 0.450 921 A N -0.441 122.386 122.820 0.012 0.000 1.865 921 A HA -0.211 4.116 4.320 0.012 0.000 0.217 921 A C 2.478 180.069 177.584 0.011 0.000 1.191 921 A CA 2.352 54.395 52.037 0.011 0.000 0.623 921 A CB -0.865 18.142 19.000 0.012 0.000 0.826 921 A HN 0.350 nan 8.150 nan 0.000 0.444 922 V N -0.307 119.614 119.914 0.011 0.000 2.591 922 V HA -0.118 4.010 4.120 0.012 0.000 0.249 922 V C 2.428 178.528 176.094 0.010 0.000 1.053 922 V CA 1.890 64.197 62.300 0.011 0.000 1.068 922 V CB -0.612 31.218 31.823 0.012 0.000 0.689 922 V HN 0.572 nan 8.190 nan 0.000 0.462 923 R N -0.898 119.608 120.500 0.010 0.000 2.236 923 R HA -0.029 4.318 4.340 0.012 0.000 0.208 923 R C 2.103 178.408 176.300 0.009 0.000 1.036 923 R CA 1.443 57.549 56.100 0.009 0.000 1.001 923 R CB -0.274 30.032 30.300 0.009 0.000 0.896 923 R HN 0.517 nan 8.270 nan 0.000 0.464 924 T N 1.391 115.951 114.554 0.009 0.000 2.684 924 T HA -0.014 4.343 4.350 0.012 0.000 0.253 924 T C 1.908 176.613 174.700 0.008 0.000 1.057 924 T CA 0.753 62.858 62.100 0.009 0.000 1.162 924 T CB -0.187 68.686 68.868 0.009 0.000 0.868 924 T HN 0.060 nan 8.240 nan 0.000 0.409 925 L N 1.087 122.315 121.223 0.009 0.000 2.012 925 L HA -0.157 4.190 4.340 0.012 0.000 0.210 925 L C 2.557 179.432 176.870 0.008 0.000 1.073 925 L CA 1.287 56.132 54.840 0.008 0.000 0.748 925 L CB -0.713 41.351 42.059 0.008 0.000 0.891 925 L HN 0.203 nan 8.230 nan 0.000 0.431 926 D N -0.072 120.333 120.400 0.008 0.000 2.088 926 D HA -0.138 4.509 4.640 0.012 0.000 0.191 926 D C -0.285 176.020 176.300 0.007 0.000 0.992 926 D CA 1.521 55.526 54.000 0.008 0.000 0.831 926 D CB -1.660 39.145 40.800 0.008 0.000 0.973 926 D HN 0.259 nan 8.370 nan 0.000 0.447 927 P HA -0.024 nan 4.420 nan 0.000 0.225 927 P C 0.901 178.206 177.300 0.007 0.000 1.148 927 P CA 0.759 63.863 63.100 0.007 0.000 0.779 927 P CB 0.279 31.984 31.700 0.007 0.000 0.780 928 E N -0.240 119.965 120.200 0.007 0.000 4.428 928 E HA 0.039 4.397 4.350 0.012 0.000 0.575 928 E C 0.855 177.459 176.600 0.007 0.000 0.701 928 E CA 0.180 56.585 56.400 0.007 0.000 3.828 928 E CB 0.286 29.991 29.700 0.008 0.000 2.242 928 E HN -0.000 nan 8.360 nan 0.000 0.355 929 R N -0.730 119.775 120.500 0.008 0.000 3.287 929 R HA 0.526 4.873 4.340 0.012 0.000 0.221 929 R C 0.572 176.877 176.300 0.007 0.000 1.684 929 R CA -0.573 55.531 56.100 0.007 0.000 0.976 929 R CB -0.388 29.917 30.300 0.008 0.000 2.102 929 R HN 0.265 nan 8.270 nan 0.000 0.541 930 L N -1.964 119.264 121.223 0.008 0.000 2.535 930 L HA 0.622 4.970 4.340 0.012 0.000 0.259 930 L C 1.417 178.292 176.870 0.008 0.000 1.263 930 L CA -0.311 54.533 54.840 0.007 0.000 1.282 930 L CB 0.960 43.023 42.059 0.007 0.000 1.901 930 L HN 0.811 nan 8.230 nan 0.000 0.572 931 G N -1.550 107.255 108.800 0.008 0.000 2.707 931 G HA2 0.161 4.128 3.960 0.012 0.000 0.198 931 G HA3 0.161 4.128 3.960 0.012 0.000 0.198 931 G C 1.276 176.181 174.900 0.009 0.000 1.065 931 G CA -0.026 45.079 45.100 0.008 0.000 0.763 931 G HN 0.390 nan 8.290 nan 0.000 0.625 932 R N -0.186 120.319 120.500 0.008 0.000 2.419 932 R HA 0.272 4.619 4.340 0.012 0.000 0.235 932 R C -0.302 176.002 176.300 0.007 0.000 0.899 932 R CA -0.074 56.031 56.100 0.008 0.000 1.048 932 R CB 0.677 30.981 30.300 0.007 0.000 1.182 932 R HN 0.234 nan 8.270 nan 0.000 0.544 933 E N -0.524 119.680 120.200 0.007 0.000 3.117 933 E HA -0.184 4.174 4.350 0.012 0.000 0.156 933 E C 0.110 176.713 176.600 0.006 0.000 1.699 933 E CA 0.188 56.592 56.400 0.007 0.000 0.728 933 E CB -0.850 28.855 29.700 0.008 0.000 1.091 933 E HN 0.648 nan 8.360 nan 0.000 0.369 934 G N 0.093 108.896 108.800 0.005 0.000 2.884 934 G HA2 0.296 4.263 3.960 0.012 0.000 0.198 934 G HA3 0.296 4.263 3.960 0.012 0.000 0.198 934 G C 0.836 175.738 174.900 0.004 0.000 1.083 934 G CA 0.715 45.817 45.100 0.004 0.000 0.740 934 G HN 0.285 nan 8.290 nan 0.000 0.690 935 V N -1.614 118.303 119.914 0.005 0.000 3.119 935 V HA 0.267 4.394 4.120 0.012 0.000 0.245 935 V C 0.692 176.789 176.094 0.005 0.000 1.598 935 V CA 1.351 63.654 62.300 0.005 0.000 1.116 935 V CB 1.474 33.300 31.823 0.005 0.000 0.981 935 V HN 0.339 nan 8.190 nan 0.000 0.430 936 Q N -0.313 119.490 119.800 0.005 0.000 7.793 936 Q HA 0.037 4.384 4.340 0.012 0.000 0.364 936 Q C 0.527 176.530 176.000 0.005 0.000 0.932 936 Q CA 0.973 56.780 55.803 0.005 0.000 0.561 936 Q CB -0.152 28.589 28.738 0.006 0.000 0.256 936 Q HN 0.327 nan 8.270 nan 0.000 0.881 937 K N 0.470 120.873 120.400 0.005 0.000 2.438 937 K HA 0.346 4.673 4.320 0.012 0.000 0.205 937 K C 0.218 176.820 176.600 0.004 0.000 1.033 937 K CA 0.124 56.414 56.287 0.005 0.000 1.089 937 K CB 0.830 33.333 32.500 0.005 0.000 0.857 937 K HN 0.215 nan 8.250 nan 0.000 0.522 938 E N 0.463 120.665 120.200 0.004 0.000 2.431 938 E HA -0.027 4.330 4.350 0.012 0.000 0.200 938 E C 0.506 177.108 176.600 0.003 0.000 0.995 938 E CA 0.428 56.830 56.400 0.003 0.000 0.915 938 E CB 0.494 30.196 29.700 0.004 0.000 0.930 938 E HN 0.193 nan 8.360 nan 0.000 0.496 939 D N 0.525 120.926 120.400 0.003 0.000 2.414 939 D HA 0.060 4.707 4.640 0.012 0.000 0.237 939 D C 2.042 178.343 176.300 0.001 0.000 0.975 939 D CA 0.400 54.401 54.000 0.002 0.000 0.917 939 D CB 0.106 40.907 40.800 0.002 0.000 1.061 939 D HN 0.056 nan 8.370 nan 0.000 0.480 940 I N 1.744 122.315 120.570 0.002 0.000 2.072 940 I HA -0.187 3.991 4.170 0.012 0.000 0.235 940 I C -0.470 175.648 176.117 0.002 0.000 1.058 940 I CA 1.103 62.404 61.300 0.002 0.000 1.320 940 I CB -1.747 36.254 38.000 0.003 0.000 1.047 940 I HN -0.027 nan 8.210 nan 0.000 0.397 941 P HA -0.186 nan 4.420 nan 0.000 0.219 941 P C -1.598 175.704 177.300 0.003 0.000 1.159 941 P CA 1.468 64.570 63.100 0.003 0.000 0.944 941 P CB -1.643 30.060 31.700 0.004 0.000 0.792 942 P HA -0.121 nan 4.420 nan 0.000 0.128 942 P C 0.202 177.503 177.300 0.002 0.000 0.697 942 P CA 2.293 65.395 63.100 0.002 0.000 1.191 942 P CB -1.166 30.535 31.700 0.001 0.000 1.488 943 A N 2.105 124.926 122.820 0.003 0.000 2.431 943 A HA 0.058 4.386 4.320 0.012 0.000 0.220 943 A C 0.436 178.023 177.584 0.004 0.000 2.883 943 A CA 0.364 52.403 52.037 0.003 0.000 1.564 943 A CB -1.046 17.956 19.000 0.002 0.000 0.160 943 A HN 0.518 nan 8.150 nan 0.000 0.543 944 D N -0.777 119.626 120.400 0.005 0.000 4.808 944 D HA -0.171 4.476 4.640 0.012 0.000 0.304 944 D C 0.148 176.452 176.300 0.007 0.000 2.360 944 D CA 1.272 55.275 54.000 0.006 0.000 1.222 944 D CB -1.232 39.572 40.800 0.006 0.000 1.085 944 D HN 1.564 nan 8.370 nan 0.000 1.266 945 L N -0.917 120.311 121.223 0.008 0.000 2.989 945 L HA -0.152 4.195 4.340 0.012 0.000 0.691 945 L C 1.401 178.277 176.870 0.010 0.000 1.298 945 L CA 0.703 55.549 54.840 0.010 0.000 1.239 945 L CB -2.082 39.982 42.059 0.009 0.000 1.942 945 L HN 0.596 nan 8.230 nan 0.000 0.899 946 S N -2.859 112.847 115.700 0.010 0.000 2.502 946 S HA 0.172 4.649 4.470 0.012 0.000 0.228 946 S C 0.480 175.087 174.600 0.013 0.000 1.061 946 S CA 0.312 58.519 58.200 0.010 0.000 0.935 946 S CB 1.039 64.244 63.200 0.009 0.000 0.809 946 S HN 0.526 nan 8.310 nan 0.000 0.510 947 D N 0.105 120.513 120.400 0.014 0.000 2.575 947 D HA 0.448 5.095 4.640 0.012 0.000 0.236 947 D C -0.437 175.876 176.300 0.023 0.000 1.075 947 D CA -0.448 53.563 54.000 0.018 0.000 0.860 947 D CB 2.406 43.216 40.800 0.016 0.000 1.475 947 D HN 0.252 nan 8.370 nan 0.000 0.474 948 Q N 0.724 120.543 119.800 0.031 0.000 3.071 948 Q HA 0.401 4.749 4.340 0.012 0.000 0.204 948 Q C -0.283 175.748 176.000 0.053 0.000 1.165 948 Q CA -0.500 55.327 55.803 0.039 0.000 0.372 948 Q CB 0.636 29.398 28.738 0.039 0.000 5.650 948 Q HN 0.385 nan 8.270 nan 0.000 0.309 949 V N 1.121 121.085 119.914 0.084 0.000 2.479 949 V HA 0.146 4.273 4.120 0.012 0.000 0.281 949 V C -1.977 174.171 176.094 0.090 0.000 1.031 949 V CA -0.806 61.564 62.300 0.116 0.000 1.038 949 V CB 0.318 32.268 31.823 0.212 0.000 0.981 949 V HN 0.691 nan 8.190 nan 0.000 0.478 950 P HA 0.184 nan 4.420 nan 0.000 0.234 950 P C 0.320 177.542 177.300 -0.129 0.000 1.175 950 P CA 0.692 63.767 63.100 -0.043 0.000 0.801 950 P CB 0.436 32.121 31.700 -0.024 0.000 0.891 951 D N -1.441 118.903 120.400 -0.095 0.000 2.785 951 D HA 0.045 4.693 4.640 0.012 0.000 0.324 951 D C -0.617 175.673 176.300 -0.016 0.000 1.523 951 D CA -0.224 53.698 54.000 -0.130 0.000 0.789 951 D CB -0.613 40.147 40.800 -0.066 0.000 1.171 951 D HN -0.264 nan 8.370 nan 0.000 0.447 952 T N 1.307 115.958 114.554 0.162 0.000 2.473 952 T HA -0.234 4.123 4.350 0.012 0.000 0.503 952 T C -0.657 174.126 174.700 0.138 0.000 0.806 952 T CA 0.969 63.277 62.100 0.346 0.000 2.696 952 T CB -0.581 68.678 68.868 0.653 0.000 1.618 952 T HN 0.166 nan 8.240 nan 0.000 0.428 953 E N 2.160 122.411 120.200 0.084 0.000 3.074 953 E HA 0.470 4.828 4.350 0.012 0.000 0.287 953 E C -0.721 175.903 176.600 0.041 0.000 1.194 953 E CA -0.330 56.100 56.400 0.050 0.000 0.836 953 E CB 1.201 30.923 29.700 0.036 0.000 1.468 953 E HN 0.504 nan 8.360 nan 0.000 0.383 954 S N 1.651 117.374 115.700 0.038 0.000 2.680 954 S HA 0.449 4.926 4.470 0.012 0.000 0.284 954 S C -1.699 172.918 174.600 0.029 0.000 1.055 954 S CA -0.504 57.716 58.200 0.033 0.000 0.849 954 S CB 1.030 64.249 63.200 0.033 0.000 1.068 954 S HN 0.443 nan 8.310 nan 0.000 0.453 955 E N 0.419 120.637 120.200 0.031 0.000 2.357 955 E HA 0.574 4.931 4.350 0.012 0.000 0.264 955 E C -1.725 174.896 176.600 0.035 0.000 1.164 955 E CA -1.020 55.398 56.400 0.030 0.000 0.893 955 E CB 0.948 30.665 29.700 0.029 0.000 1.619 955 E HN 0.461 nan 8.360 nan 0.000 0.464 956 T N 0.711 115.286 114.554 0.034 0.000 2.848 956 T HA 0.505 4.862 4.350 0.012 0.000 0.285 956 T C -0.240 174.487 174.700 0.046 0.000 0.995 956 T CA -0.749 61.373 62.100 0.036 0.000 0.970 956 T CB 1.467 70.351 68.868 0.025 0.000 0.976 956 T HN 0.403 nan 8.240 nan 0.000 0.441 960 L N -0.011 121.195 121.223 -0.029 0.000 2.616 960 L HA 0.237 4.584 4.340 0.012 0.000 0.229 960 L C 1.461 178.302 176.870 -0.048 0.000 1.110 960 L CA 0.459 55.271 54.840 -0.045 0.000 0.884 960 L CB 0.229 42.256 42.059 -0.054 0.000 1.115 960 L HN 0.594 nan 8.230 nan 0.000 0.481 961 Q N 0.058 119.838 119.800 -0.032 0.000 2.376 961 Q HA 0.102 4.449 4.340 0.012 0.000 0.206 961 Q C 1.185 177.175 176.000 -0.018 0.000 0.921 961 Q CA 0.158 55.945 55.803 -0.026 0.000 0.911 961 Q CB 0.271 29.000 28.738 -0.014 0.000 1.032 961 Q HN 0.438 nan 8.270 nan 0.000 0.510 962 G N 2.773 111.565 108.800 -0.014 0.000 2.477 962 G HA2 -0.109 3.859 3.960 0.012 0.000 0.290 962 G HA3 -0.109 3.859 3.960 0.012 0.000 0.290 962 G C -0.222 174.678 174.900 0.001 0.000 0.700 962 G CA 0.378 45.477 45.100 -0.002 0.000 1.304 962 G HN 0.135 nan 8.290 nan 0.000 0.289 963 T N 3.510 118.073 114.554 0.015 0.000 0.551 963 T HA -0.155 4.202 4.350 0.012 0.000 0.773 963 T C -0.517 174.191 174.700 0.013 0.000 0.992 963 T CA 0.407 62.523 62.100 0.027 0.000 4.070 963 T CB 0.178 69.071 68.868 0.042 0.000 2.299 963 T HN 0.478 nan 8.240 nan 0.000 0.397 964 P HA -0.146 nan 4.420 nan 0.000 0.226 964 P C 0.623 177.928 177.300 0.007 0.000 1.154 964 P CA 0.997 64.115 63.100 0.030 0.000 0.901 964 P CB 0.075 31.814 31.700 0.066 0.000 0.788 965 V N -1.151 118.751 119.914 -0.019 0.000 2.334 965 V HA 0.477 4.604 4.120 0.012 0.000 0.267 965 V C 0.870 176.916 176.094 -0.081 0.000 1.040 965 V CA 0.761 63.017 62.300 -0.074 0.000 0.866 965 V CB 0.294 32.050 31.823 -0.111 0.000 1.019 965 V HN 0.163 nan 8.190 nan 0.000 0.468 966 A N 3.474 126.247 122.820 -0.079 0.000 1.485 966 A HA 0.077 4.405 4.320 0.012 0.000 0.211 966 A C 1.668 179.220 177.584 -0.053 0.000 1.759 966 A CA 0.612 52.618 52.037 -0.052 0.000 1.385 966 A CB -0.261 18.726 19.000 -0.022 0.000 1.293 966 A HN 0.519 nan 8.150 nan 0.000 0.400 967 Q N 0.189 119.954 119.800 -0.059 0.000 2.112 967 Q HA -0.226 4.121 4.340 0.012 0.000 0.206 967 Q C 1.979 177.927 176.000 -0.087 0.000 0.987 967 Q CA 2.326 58.097 55.803 -0.054 0.000 0.858 967 Q CB -0.228 28.468 28.738 -0.069 0.000 0.905 967 Q HN 0.730 nan 8.270 nan 0.000 0.420 968 M N -0.488 118.994 119.600 -0.198 0.000 2.064 968 M HA -0.134 4.353 4.480 0.012 0.000 0.260 968 M C 2.339 178.482 176.300 -0.262 0.000 1.073 968 M CA 1.919 56.974 55.300 -0.409 0.000 1.124 968 M CB -0.513 31.533 32.600 -0.923 0.000 1.326 968 M HN 0.147 nan 8.290 nan 0.000 0.410 969 T N 0.098 114.589 114.554 -0.106 0.000 2.624 969 T HA -0.243 4.114 4.350 0.012 0.000 0.268 969 T C 1.619 176.344 174.700 0.043 0.000 1.041 969 T CA 2.036 64.184 62.100 0.080 0.000 1.159 969 T CB -0.326 68.540 68.868 -0.003 0.000 0.863 969 T HN 0.358 nan 8.240 nan 0.000 0.434 970 E N 0.570 120.788 120.200 0.028 0.000 2.070 970 E HA -0.163 4.194 4.350 0.012 0.000 0.197 970 E C 1.913 178.619 176.600 0.177 0.000 1.004 970 E CA 1.615 58.111 56.400 0.159 0.000 0.805 970 E CB -0.083 29.699 29.700 0.137 0.000 0.744 970 E HN 0.428 nan 8.360 nan 0.000 0.451 971 D N -0.582 119.882 120.400 0.107 0.000 2.137 971 D HA -0.047 4.600 4.640 0.012 0.000 0.202 971 D C 1.717 178.099 176.300 0.135 0.000 0.970 971 D CA 1.294 55.364 54.000 0.117 0.000 0.837 971 D CB -0.475 40.380 40.800 0.091 0.000 0.981 971 D HN 0.266 nan 8.370 nan 0.000 0.475 972 A N 0.534 123.441 122.820 0.145 0.000 2.070 972 A HA -0.097 4.230 4.320 0.012 0.000 0.220 972 A C 2.337 180.038 177.584 0.195 0.000 1.159 972 A CA 0.879 53.032 52.037 0.193 0.000 0.656 972 A CB -0.470 18.727 19.000 0.328 0.000 0.800 972 A HN 0.148 nan 8.150 nan 0.000 0.453 973 V N -0.097 119.954 119.914 0.228 0.000 2.407 973 V HA -0.077 4.050 4.120 0.012 0.000 0.245 973 V C 0.636 176.856 176.094 0.210 0.000 1.041 973 V CA 1.279 63.744 62.300 0.276 0.000 1.040 973 V CB -0.542 31.541 31.823 0.433 0.000 0.671 973 V HN 0.480 nan 8.190 nan 0.000 0.455 974 D N -0.911 119.596 120.400 0.178 0.000 2.304 974 D HA 0.482 5.129 4.640 0.012 0.000 0.250 974 D C 0.918 177.272 176.300 0.091 0.000 1.107 974 D CA 0.627 54.702 54.000 0.124 0.000 0.885 974 D CB 1.674 42.542 40.800 0.113 0.000 1.192 974 D HN 0.152 nan 8.370 nan 0.000 0.436 975 A N 2.767 125.627 122.820 0.067 0.000 1.929 975 A HA -0.107 4.220 4.320 0.012 0.000 0.216 975 A C 1.658 179.259 177.584 0.029 0.000 1.176 975 A CA 1.075 53.141 52.037 0.049 0.000 0.628 975 A CB -0.043 18.980 19.000 0.039 0.000 0.816 975 A HN 0.490 nan 8.150 nan 0.000 0.444 976 E N -1.191 119.021 120.200 0.019 0.000 2.474 976 E HA 0.109 4.467 4.350 0.012 0.000 0.195 976 E C 1.376 177.942 176.600 -0.056 0.000 1.039 976 E CA 0.119 56.510 56.400 -0.015 0.000 0.881 976 E CB 0.249 29.943 29.700 -0.009 0.000 0.970 976 E HN 0.586 nan 8.360 nan 0.000 0.486 977 R N 0.297 120.791 120.500 -0.010 0.000 2.508 977 R HA 0.130 4.477 4.340 0.012 0.000 0.300 977 R C 1.638 177.962 176.300 0.040 0.000 0.970 977 R CA -0.038 56.056 56.100 -0.010 0.000 1.102 977 R CB 0.288 30.649 30.300 0.103 0.000 1.246 977 R HN 0.004 nan 8.270 nan 0.000 0.539 978 L N 0.991 122.239 121.223 0.042 0.000 2.141 978 L HA -0.045 4.302 4.340 0.012 0.000 0.209 978 L C 1.353 178.282 176.870 0.098 0.000 1.094 978 L CA 1.778 56.669 54.840 0.085 0.000 0.763 978 L CB 0.040 42.149 42.059 0.083 0.000 0.908 978 L HN -0.093 nan 8.230 nan 0.000 0.437 979 K N -1.179 119.246 120.400 0.042 0.000 2.432 979 K HA -0.048 4.280 4.320 0.012 0.000 0.196 979 K C 1.363 178.034 176.600 0.118 0.000 1.038 979 K CA 0.340 56.664 56.287 0.062 0.000 0.986 979 K CB -0.350 32.155 32.500 0.008 0.000 0.782 979 K HN 0.429 nan 8.250 nan 0.000 0.485 980 H N 0.490 119.598 119.070 0.065 0.000 2.563 980 H HA 0.085 4.648 4.556 0.012 0.000 0.272 980 H C 1.468 176.823 175.328 0.045 0.000 1.005 980 H CA 0.378 56.454 56.048 0.046 0.000 1.171 980 H CB -0.082 29.701 29.762 0.035 0.000 1.351 980 H HN 0.077 nan 8.280 nan 0.000 0.602 981 L N -0.484 120.851 121.223 0.188 0.000 2.567 981 L HA 0.183 4.530 4.340 0.012 0.000 0.225 981 L C -0.279 176.664 176.870 0.120 0.000 1.119 981 L CA 0.277 55.203 54.840 0.144 0.000 0.871 981 L CB 0.604 42.780 42.059 0.195 0.000 1.036 981 L HN -0.005 nan 8.230 nan 0.000 0.459 982 I N -1.385 119.254 120.570 0.116 0.000 2.610 982 I HA 0.064 4.241 4.170 0.012 0.000 0.289 982 I C 0.714 176.864 176.117 0.056 0.000 1.163 982 I CA -0.261 61.078 61.300 0.066 0.000 1.044 982 I CB 2.203 40.251 38.000 0.081 0.000 1.251 982 I HN -0.282 nan 8.210 nan 0.000 0.424 983 V N 1.108 121.027 119.914 0.009 0.000 3.461 983 V HA 0.103 4.231 4.120 0.012 0.000 0.267 983 V C 0.816 176.901 176.094 -0.015 0.000 1.186 983 V CA 0.669 62.969 62.300 -0.001 0.000 1.154 983 V CB -1.354 30.448 31.823 -0.036 0.000 0.802 983 V HN 0.759 nan 8.190 nan 0.000 0.474 984 T N -0.941 113.601 114.554 -0.019 0.000 2.943 984 T HA 0.635 4.992 4.350 0.012 0.000 0.284 984 T C -2.223 172.492 174.700 0.025 0.000 1.015 984 T CA -1.781 60.309 62.100 -0.017 0.000 1.042 984 T CB 1.546 70.385 68.868 -0.048 0.000 1.055 984 T HN 0.273 nan 8.240 nan 0.000 0.500 985 P HA 0.238 nan 4.420 nan 0.000 0.273 985 P C -0.120 177.224 177.300 0.074 0.000 1.250 985 P CA -0.541 62.593 63.100 0.057 0.000 0.793 985 P CB 0.561 32.297 31.700 0.060 0.000 1.011 986 S N -2.149 113.606 115.700 0.093 0.000 2.794 986 S HA 0.378 4.856 4.470 0.012 0.000 0.244 986 S C 0.768 175.444 174.600 0.127 0.000 1.045 986 S CA -0.263 58.004 58.200 0.111 0.000 1.114 986 S CB -0.504 62.772 63.200 0.126 0.000 1.085 986 S HN 0.623 nan 8.310 nan 0.000 0.488 987 G N 0.287 109.166 108.800 0.132 0.000 3.936 987 G HA2 0.476 4.444 3.960 0.012 0.000 0.296 987 G HA3 0.476 4.444 3.960 0.012 0.000 0.296 987 G C -0.035 174.976 174.900 0.184 0.000 1.121 987 G CA -0.282 44.914 45.100 0.161 0.000 0.899 987 G HN 0.549 nan 8.290 nan 0.000 0.542 988 C N -1.895 117.478 119.300 0.122 0.000 3.213 988 C HA 0.683 5.150 4.460 0.012 0.000 0.319 988 C C 2.156 176.873 174.990 -0.455 0.000 1.386 988 C CA 0.272 59.305 59.018 0.025 0.000 1.494 988 C CB 1.358 29.177 27.740 0.132 0.000 1.905 988 C HN 0.409 nan 8.230 nan 0.000 0.456 989 G N 0.719 109.162 108.800 -0.595 0.000 2.574 989 G HA2 -0.282 3.685 3.960 0.012 0.000 0.220 989 G HA3 -0.282 3.685 3.960 0.012 0.000 0.220 989 G C 1.224 175.827 174.900 -0.496 0.000 1.173 989 G CA 2.154 46.695 45.100 -0.931 0.000 0.772 989 G HN 0.926 nan 8.290 nan 0.000 0.585 990 E N 0.070 120.200 120.200 -0.117 0.000 2.216 990 E HA 0.084 4.442 4.350 0.012 0.000 0.192 990 E C 2.299 178.980 176.600 0.135 0.000 0.973 990 E CA 0.825 57.290 56.400 0.109 0.000 0.851 990 E CB -0.495 29.353 29.700 0.247 0.000 0.804 990 E HN 0.509 nan 8.360 nan 0.000 0.477 991 Q N 0.536 120.372 119.800 0.059 0.000 2.084 991 Q HA -0.135 4.212 4.340 0.012 0.000 0.202 991 Q C 1.802 177.890 176.000 0.146 0.000 0.978 991 Q CA 1.611 57.482 55.803 0.113 0.000 0.844 991 Q CB -0.399 28.384 28.738 0.076 0.000 0.898 991 Q HN 0.332 nan 8.270 nan 0.000 0.426 992 N N -0.036 118.698 118.700 0.057 0.000 2.513 992 N HA -0.162 4.586 4.740 0.012 0.000 0.187 992 N C 1.181 176.775 175.510 0.141 0.000 1.056 992 N CA 0.576 53.693 53.050 0.112 0.000 0.907 992 N CB 0.043 38.610 38.487 0.134 0.000 0.954 992 N HN 0.113 nan 8.380 nan 0.000 0.445 993 M N -0.080 119.622 119.600 0.169 0.000 2.659 993 M HA 0.200 4.687 4.480 0.012 0.000 0.243 993 M C 0.970 177.311 176.300 0.067 0.000 1.111 993 M CA 0.481 55.875 55.300 0.157 0.000 1.070 993 M CB -0.144 32.628 32.600 0.286 0.000 1.525 993 M HN 0.242 nan 8.290 nan 0.000 0.517 994 I N -1.364 119.300 120.570 0.156 0.000 2.335 994 I HA -0.223 3.954 4.170 0.012 0.000 0.251 994 I C 2.278 178.400 176.117 0.010 0.000 1.129 994 I CA 1.247 62.591 61.300 0.074 0.000 1.402 994 I CB -1.454 36.712 38.000 0.278 0.000 1.069 994 I HN 0.417 nan 8.210 nan 0.000 0.424 995 G N 0.519 109.357 108.800 0.064 0.000 2.499 995 G HA2 -0.207 3.760 3.960 0.012 0.000 0.221 995 G HA3 -0.207 3.760 3.960 0.012 0.000 0.221 995 G C 1.573 176.491 174.900 0.030 0.000 1.109 995 G CA 0.986 46.124 45.100 0.063 0.000 0.749 995 G HN 0.345 nan 8.290 nan 0.000 0.568 996 M N -1.759 117.832 119.600 -0.015 0.000 2.979 996 M HA 0.088 4.575 4.480 0.012 0.000 0.221 996 M C 2.630 178.847 176.300 -0.140 0.000 1.769 996 M CA 0.755 56.029 55.300 -0.042 0.000 1.260 996 M CB -0.097 32.512 32.600 0.016 0.000 1.227 996 M HN 0.033 nan 8.290 nan 0.000 0.587 997 T N 2.073 116.476 114.554 -0.251 0.000 2.597 997 T HA -0.120 4.237 4.350 0.012 0.000 0.267 997 T C -1.127 173.381 174.700 -0.320 0.000 1.053 997 T CA 1.807 63.707 62.100 -0.333 0.000 1.165 997 T CB -1.603 67.009 68.868 -0.427 0.000 0.863 997 T HN 0.154 nan 8.240 nan 0.000 0.427 998 P HA -0.067 nan 4.420 nan 0.000 0.213 998 P C 1.727 179.068 177.300 0.069 0.000 1.170 998 P CA 1.465 64.576 63.100 0.018 0.000 0.898 998 P CB -0.461 31.311 31.700 0.120 0.000 0.787 999 T N -0.459 114.113 114.554 0.030 0.000 2.699 999 T HA -0.132 4.226 4.350 0.012 0.000 0.268 999 T C 1.874 176.554 174.700 -0.035 0.000 1.036 999 T CA 1.406 63.536 62.100 0.049 0.000 1.147 999 T CB -1.261 67.630 68.868 0.040 0.000 0.862 999 T HN -0.114 nan 8.240 nan 0.000 0.446 1000 V N 2.130 121.969 119.914 -0.124 0.000 2.261 1000 V HA -0.159 3.968 4.120 0.012 0.000 0.246 1000 V C 2.465 178.387 176.094 -0.287 0.000 1.047 1000 V CA 1.903 64.062 62.300 -0.234 0.000 1.015 1000 V CB -0.751 30.942 31.823 -0.217 0.000 0.642 1000 V HN 0.632 nan 8.190 nan 0.000 0.446 1001 I N 0.438 120.863 120.570 -0.241 0.000 2.394 1001 I HA -0.025 4.153 4.170 0.012 0.000 0.251 1001 I C 2.261 178.234 176.117 -0.240 0.000 1.136 1001 I CA 1.972 63.117 61.300 -0.258 0.000 1.425 1001 I CB -0.812 36.923 38.000 -0.441 0.000 1.079 1001 I HN 0.073 nan 8.210 nan 0.000 0.425 1002 A N 0.805 123.492 122.820 -0.221 0.000 1.898 1002 A HA -0.028 4.299 4.320 0.012 0.000 0.216 1002 A C 2.350 180.009 177.584 0.125 0.000 1.181 1002 A CA 1.952 54.002 52.037 0.021 0.000 0.620 1002 A CB -1.190 17.952 19.000 0.237 0.000 0.819 1002 A HN 0.354 nan 8.150 nan 0.000 0.442 1003 V N -0.350 119.650 119.914 0.143 0.000 2.270 1003 V HA -0.241 3.887 4.120 0.012 0.000 0.245 1003 V C 2.473 178.739 176.094 0.288 0.000 1.043 1003 V CA 2.155 64.648 62.300 0.322 0.000 1.014 1003 V CB -1.077 30.876 31.823 0.216 0.000 0.645 1003 V HN 0.628 nan 8.190 nan 0.000 0.447 1004 H N -0.896 118.247 119.070 0.121 0.000 2.289 1004 H HA -0.242 4.321 4.556 0.012 0.000 0.296 1004 H C 2.136 177.502 175.328 0.063 0.000 1.091 1004 H CA 2.277 58.370 56.048 0.075 0.000 1.274 1004 H CB -0.806 28.968 29.762 0.020 0.000 1.364 1004 H HN 0.582 nan 8.280 nan 0.000 0.490 1005 Y N 1.282 121.612 120.300 0.051 0.000 2.114 1005 Y HA -0.227 4.330 4.550 0.012 0.000 0.282 1005 Y C 2.380 178.219 175.900 -0.101 0.000 1.165 1005 Y CA 1.574 59.644 58.100 -0.051 0.000 1.148 1005 Y CB -0.747 37.648 38.460 -0.108 0.000 0.972 1005 Y HN 0.094 nan 8.280 nan 0.000 0.504 1006 L N -0.249 120.730 121.223 -0.407 0.000 2.313 1006 L HA -0.109 4.238 4.340 0.012 0.000 0.214 1006 L C 1.874 178.525 176.870 -0.365 0.000 1.119 1006 L CA 0.855 55.252 54.840 -0.738 0.000 0.809 1006 L CB -0.452 40.843 42.059 -1.273 0.000 0.933 1006 L HN 0.167 nan 8.230 nan 0.000 0.449 1007 D N 0.107 120.544 120.400 0.062 0.000 2.103 1007 D HA -0.132 4.515 4.640 0.012 0.000 0.199 1007 D C 2.093 178.418 176.300 0.042 0.000 0.978 1007 D CA 1.024 55.155 54.000 0.217 0.000 0.829 1007 D CB 0.054 41.024 40.800 0.283 0.000 0.981 1007 D HN 0.307 nan 8.370 nan 0.000 0.464 1008 E N 0.099 120.281 120.200 -0.030 0.000 2.208 1008 E HA -0.061 4.296 4.350 0.012 0.000 0.193 1008 E C 1.711 178.248 176.600 -0.105 0.000 0.988 1008 E CA 1.001 57.369 56.400 -0.053 0.000 0.828 1008 E CB -0.124 29.553 29.700 -0.039 0.000 0.763 1008 E HN 0.376 nan 8.360 nan 0.000 0.478 1009 T N -1.761 112.663 114.554 -0.217 0.000 3.069 1009 T HA 0.142 4.499 4.350 0.012 0.000 0.252 1009 T C 0.014 174.593 174.700 -0.201 0.000 1.053 1009 T CA -0.285 61.666 62.100 -0.248 0.000 0.964 1009 T CB -0.095 68.509 68.868 -0.440 0.000 1.005 1009 T HN 0.040 nan 8.240 nan 0.000 0.532 1010 E N 1.369 121.482 120.200 -0.144 0.000 2.513 1010 E HA -0.209 4.149 4.350 0.012 0.000 0.156 1010 E C 0.236 176.777 176.600 -0.098 0.000 1.740 1010 E CA 0.269 56.633 56.400 -0.060 0.000 0.646 1010 E CB -1.196 28.494 29.700 -0.016 0.000 1.080 1010 E HN 0.680 nan 8.360 nan 0.000 0.345 1011 Q N -0.742 118.945 119.800 -0.188 0.000 2.126 1011 Q HA 0.048 4.395 4.340 0.012 0.000 0.233 1011 Q C 0.951 176.910 176.000 -0.069 0.000 0.788 1011 Q CA -0.191 55.497 55.803 -0.192 0.000 0.968 1011 Q CB 0.265 28.786 28.738 -0.362 0.000 1.163 1011 Q HN 0.581 nan 8.270 nan 0.000 0.471 1012 W N 2.067 123.412 121.300 0.076 0.000 2.364 1012 W HA -0.215 4.452 4.660 0.012 0.000 0.281 1012 W C 2.103 178.690 176.519 0.114 0.000 1.219 1012 W CA 1.261 58.692 57.345 0.144 0.000 1.220 1012 W CB 0.213 29.726 29.460 0.089 0.000 1.127 1012 W HN 0.288 nan 8.180 nan 0.000 0.556 1013 E N 1.832 122.197 120.200 0.275 0.000 2.005 1013 E HA -0.263 4.094 4.350 0.012 0.000 0.198 1013 E C 2.016 178.702 176.600 0.143 0.000 1.010 1013 E CA 2.575 59.077 56.400 0.170 0.000 0.825 1013 E CB -0.469 29.297 29.700 0.110 0.000 0.769 1013 E HN 0.318 nan 8.360 nan 0.000 0.456 1014 K N -0.833 119.644 120.400 0.127 0.000 2.097 1014 K HA -0.107 4.220 4.320 0.012 0.000 0.205 1014 K C 2.252 178.951 176.600 0.164 0.000 1.050 1014 K CA 1.304 57.660 56.287 0.115 0.000 0.938 1014 K CB -0.551 32.002 32.500 0.088 0.000 0.718 1014 K HN 0.187 nan 8.250 nan 0.000 0.442 1015 F N 2.165 122.135 119.950 0.034 0.000 2.206 1015 F HA 0.143 4.677 4.527 0.012 0.000 0.298 1015 F C 0.614 176.479 175.800 0.108 0.000 1.090 1015 F CA 1.404 59.427 58.000 0.038 0.000 1.323 1015 F CB 0.243 39.213 39.000 -0.049 0.000 1.028 1015 F HN 0.280 nan 8.300 nan 0.000 0.492 1016 G N 0.886 109.741 108.800 0.092 0.000 3.071 1016 G HA2 -0.086 3.881 3.960 0.012 0.000 0.620 1016 G HA3 -0.086 3.881 3.960 0.012 0.000 0.620 1016 G C -0.039 174.953 174.900 0.153 0.000 1.204 1016 G CA -0.182 44.917 45.100 -0.001 0.000 1.200 1016 G HN 0.358 nan 8.290 nan 0.000 0.530 1017 L N 1.559 122.873 121.223 0.152 0.000 2.191 1017 L HA 0.075 4.423 4.340 0.012 0.000 0.212 1017 L C 2.490 179.349 176.870 -0.019 0.000 1.103 1017 L CA 2.892 57.788 54.840 0.094 0.000 0.769 1017 L CB -0.204 41.875 42.059 0.034 0.000 0.908 1017 L HN 0.734 nan 8.230 nan 0.000 0.438 1018 E N -0.326 119.868 120.200 -0.011 0.000 2.085 1018 E HA -0.251 4.107 4.350 0.012 0.000 0.194 1018 E C 2.011 178.594 176.600 -0.028 0.000 0.994 1018 E CA 1.505 57.885 56.400 -0.034 0.000 0.801 1018 E CB -0.394 29.287 29.700 -0.032 0.000 0.743 1018 E HN 0.424 nan 8.360 nan 0.000 0.453 1019 K N 0.485 120.892 120.400 0.012 0.000 2.211 1019 K HA -0.150 4.177 4.320 0.012 0.000 0.204 1019 K C 2.205 178.872 176.600 0.110 0.000 1.047 1019 K CA 1.171 57.512 56.287 0.090 0.000 0.935 1019 K CB -0.123 32.453 32.500 0.127 0.000 0.728 1019 K HN 0.031 nan 8.250 nan 0.000 0.452 1020 R N 1.015 121.449 120.500 -0.110 0.000 2.061 1020 R HA -0.182 4.166 4.340 0.012 0.000 0.230 1020 R C 2.423 178.575 176.300 -0.247 0.000 1.140 1020 R CA 1.603 57.410 56.100 -0.488 0.000 0.940 1020 R CB -0.119 29.476 30.300 -1.174 0.000 0.839 1020 R HN 0.004 nan 8.270 nan 0.000 0.429 1021 Q N 0.059 119.738 119.800 -0.202 0.000 2.197 1021 Q HA -0.097 4.251 4.340 0.012 0.000 0.207 1021 Q C 1.715 177.675 176.000 -0.067 0.000 0.984 1021 Q CA 2.113 57.839 55.803 -0.128 0.000 0.869 1021 Q CB -0.727 27.948 28.738 -0.105 0.000 0.906 1021 Q HN 0.512 nan 8.270 nan 0.000 0.426 1022 G N -0.447 108.332 108.800 -0.037 0.000 2.408 1022 G HA2 -0.140 3.827 3.960 0.012 0.000 0.217 1022 G HA3 -0.140 3.827 3.960 0.012 0.000 0.217 1022 G C 1.449 176.366 174.900 0.029 0.000 1.150 1022 G CA 0.837 45.940 45.100 0.004 0.000 0.776 1022 G HN 0.517 nan 8.290 nan 0.000 0.542 1023 A N 0.549 123.400 122.820 0.052 0.000 1.930 1023 A HA 0.137 4.464 4.320 0.012 0.000 0.217 1023 A C 2.286 179.887 177.584 0.029 0.000 1.175 1023 A CA 0.998 53.089 52.037 0.089 0.000 0.627 1023 A CB -0.280 18.842 19.000 0.203 0.000 0.815 1023 A HN 0.276 nan 8.150 nan 0.000 0.443 1024 L N 0.057 121.265 121.223 -0.024 0.000 2.131 1024 L HA -0.108 4.239 4.340 0.012 0.000 0.210 1024 L C 2.388 179.238 176.870 -0.032 0.000 1.092 1024 L CA 1.526 56.337 54.840 -0.048 0.000 0.759 1024 L CB -1.380 40.629 42.059 -0.083 0.000 0.903 1024 L HN 0.409 nan 8.230 nan 0.000 0.435 1025 E N -0.238 119.952 120.200 -0.017 0.000 2.110 1025 E HA -0.167 4.190 4.350 0.012 0.000 0.193 1025 E C 2.416 179.023 176.600 0.012 0.000 0.988 1025 E CA 0.696 57.093 56.400 -0.005 0.000 0.804 1025 E CB -0.113 29.586 29.700 -0.002 0.000 0.745 1025 E HN 0.430 nan 8.360 nan 0.000 0.458 1026 L N 0.506 121.742 121.223 0.022 0.000 2.012 1026 L HA -0.191 4.156 4.340 0.012 0.000 0.210 1026 L C 2.500 179.389 176.870 0.031 0.000 1.073 1026 L CA 1.061 55.921 54.840 0.034 0.000 0.748 1026 L CB -0.392 41.695 42.059 0.047 0.000 0.891 1026 L HN 0.112 nan 8.230 nan 0.000 0.431 1027 I N -0.629 119.947 120.570 0.010 0.000 2.286 1027 I HA -0.310 3.867 4.170 0.012 0.000 0.248 1027 I C 2.492 178.619 176.117 0.017 0.000 1.115 1027 I CA 1.246 62.542 61.300 -0.006 0.000 1.392 1027 I CB -0.387 37.578 38.000 -0.059 0.000 1.065 1027 I HN 0.226 nan 8.210 nan 0.000 0.418 1028 K N 1.120 121.528 120.400 0.013 0.000 1.991 1028 K HA -0.246 4.081 4.320 0.012 0.000 0.212 1028 K C 2.220 178.884 176.600 0.106 0.000 1.049 1028 K CA 1.699 58.019 56.287 0.055 0.000 0.932 1028 K CB -0.215 32.299 32.500 0.023 0.000 0.717 1028 K HN 0.157 nan 8.250 nan 0.000 0.441 1029 K N 0.302 120.742 120.400 0.067 0.000 2.020 1029 K HA -0.181 4.146 4.320 0.012 0.000 0.212 1029 K C 2.210 178.858 176.600 0.081 0.000 1.050 1029 K CA 1.900 58.224 56.287 0.062 0.000 0.929 1029 K CB -0.493 32.034 32.500 0.046 0.000 0.714 1029 K HN 0.282 nan 8.250 nan 0.000 0.443 1030 G N 0.146 109.001 108.800 0.091 0.000 2.476 1030 G HA2 -0.341 3.626 3.960 0.012 0.000 0.218 1030 G HA3 -0.341 3.626 3.960 0.012 0.000 0.218 1030 G C 1.410 176.408 174.900 0.164 0.000 1.164 1030 G CA 1.277 46.447 45.100 0.115 0.000 0.768 1030 G HN 0.517 nan 8.290 nan 0.000 0.560 1031 Y N 2.091 122.405 120.300 0.024 0.000 2.128 1031 Y HA -0.176 4.381 4.550 0.012 0.000 0.284 1031 Y C 3.050 178.989 175.900 0.065 0.000 1.154 1031 Y CA 2.278 60.376 58.100 -0.003 0.000 1.149 1031 Y CB -0.664 37.690 38.460 -0.176 0.000 0.976 1031 Y HN 0.203 nan 8.280 nan 0.000 0.505 1032 T N 0.973 115.495 114.554 -0.053 0.000 2.759 1032 T HA -0.224 4.133 4.350 0.012 0.000 0.269 1032 T C 1.729 176.381 174.700 -0.080 0.000 1.042 1032 T CA 1.820 63.837 62.100 -0.138 0.000 1.140 1032 T CB -0.251 68.603 68.868 -0.023 0.000 0.864 1032 T HN 0.509 nan 8.240 nan 0.000 0.455 1033 Q N 0.467 120.278 119.800 0.018 0.000 2.119 1033 Q HA -0.127 4.220 4.340 0.012 0.000 0.201 1033 Q C 2.458 178.558 176.000 0.167 0.000 0.972 1033 Q CA 1.126 56.972 55.803 0.071 0.000 0.847 1033 Q CB -0.239 28.570 28.738 0.118 0.000 0.903 1033 Q HN 0.375 nan 8.270 nan 0.000 0.433 1034 Q N 1.070 121.010 119.800 0.233 0.000 2.224 1034 Q HA -0.056 4.291 4.340 0.012 0.000 0.203 1034 Q C 1.754 178.057 176.000 0.506 0.000 0.970 1034 Q CA 0.957 57.023 55.803 0.438 0.000 0.865 1034 Q CB -0.124 28.865 28.738 0.419 0.000 0.922 1034 Q HN 0.371 nan 8.270 nan 0.000 0.445 1035 L N -0.535 120.803 121.223 0.192 0.000 2.362 1035 L HA -0.053 4.294 4.340 0.012 0.000 0.219 1035 L C 2.117 178.967 176.870 -0.032 0.000 1.134 1035 L CA 0.654 55.533 54.840 0.065 0.000 0.807 1035 L CB -0.560 41.408 42.059 -0.153 0.000 0.927 1035 L HN 0.239 nan 8.230 nan 0.000 0.447 1036 A N -0.125 122.646 122.820 -0.082 0.000 2.024 1036 A HA -0.177 4.151 4.320 0.012 0.000 0.220 1036 A C 1.816 179.174 177.584 -0.376 0.000 1.164 1036 A CA 1.501 53.358 52.037 -0.299 0.000 0.643 1036 A CB -0.585 18.123 19.000 -0.486 0.000 0.806 1036 A HN 0.415 nan 8.150 nan 0.000 0.451 1037 F N -0.960 118.994 119.950 0.005 0.000 2.754 1037 F HA 0.226 4.760 4.527 0.012 0.000 0.297 1037 F C 1.266 176.983 175.800 -0.138 0.000 1.122 1037 F CA -0.117 57.901 58.000 0.029 0.000 1.400 1037 F CB 0.129 39.242 39.000 0.188 0.000 1.117 1037 F HN -0.020 nan 8.300 nan 0.000 0.587 1038 R N 2.166 122.483 120.500 -0.305 0.000 2.489 1038 R HA 0.141 4.488 4.340 0.012 0.000 0.287 1038 R C -0.366 175.668 176.300 -0.443 0.000 1.053 1038 R CA 0.337 55.895 56.100 -0.903 0.000 1.036 1038 R CB 0.426 30.125 30.300 -1.002 0.000 0.966 1038 R HN 0.308 nan 8.270 nan 0.000 0.432 1039 Q N 3.642 123.193 119.800 -0.415 0.000 2.378 1039 Q HA 0.397 4.745 4.340 0.012 0.000 0.276 1039 Q C -2.346 173.510 176.000 -0.239 0.000 1.083 1039 Q CA -2.215 53.438 55.803 -0.250 0.000 0.856 1039 Q CB 1.508 30.140 28.738 -0.176 0.000 1.383 1039 Q HN 0.465 nan 8.270 nan 0.000 0.458 1040 P HA -0.152 nan 4.420 nan 0.000 0.255 1040 P C -0.499 176.715 177.300 -0.143 0.000 1.161 1040 P CA 1.167 64.198 63.100 -0.115 0.000 0.768 1040 P CB 0.100 31.760 31.700 -0.067 0.000 0.746 1041 S N 3.246 118.871 115.700 -0.125 0.000 3.797 1041 S HA -0.176 4.301 4.470 0.012 0.000 0.374 1041 S C 0.593 175.047 174.600 -0.243 0.000 0.970 1041 S CA 0.753 58.882 58.200 -0.117 0.000 1.177 1041 S CB -2.164 61.036 63.200 -0.001 0.000 0.891 1041 S HN 0.648 nan 8.310 nan 0.000 0.491 1042 S N -2.845 112.708 115.700 -0.245 0.000 3.561 1042 S HA -0.317 4.161 4.470 0.012 0.000 0.318 1042 S C 1.245 175.652 174.600 -0.320 0.000 1.181 1042 S CA 1.236 59.302 58.200 -0.224 0.000 0.916 1042 S CB -2.229 60.965 63.200 -0.011 0.000 0.966 1042 S HN 1.837 nan 8.310 nan 0.000 0.550 1043 A N -0.068 122.416 122.820 -0.560 0.000 1.984 1043 A HA 0.605 4.932 4.320 0.012 0.000 0.214 1043 A C 0.713 178.104 177.584 -0.322 0.000 1.173 1043 A CA 0.541 52.074 52.037 -0.840 0.000 0.673 1043 A CB -0.301 18.062 19.000 -1.062 0.000 0.830 1043 A HN 1.083 nan 8.150 nan 0.000 0.453 1044 F N -1.999 117.812 119.950 -0.231 0.000 2.099 1044 F HA -0.039 4.495 4.527 0.012 0.000 0.440 1044 F C 0.431 176.222 175.800 -0.015 0.000 1.200 1044 F CA 0.354 58.309 58.000 -0.075 0.000 1.429 1044 F CB -1.063 37.891 39.000 -0.076 0.000 2.257 1044 F HN 0.496 nan 8.300 nan 0.000 0.732 1045 A N 3.114 126.075 122.820 0.236 0.000 2.354 1045 A HA 0.893 5.220 4.320 0.012 0.000 0.321 1045 A C 0.689 178.447 177.584 0.289 0.000 1.125 1045 A CA -0.282 51.891 52.037 0.226 0.000 0.799 1045 A CB 1.471 20.576 19.000 0.175 0.000 1.293 1045 A HN 1.520 nan 8.150 nan 0.000 0.452 1046 A N 0.273 123.241 122.820 0.247 0.000 2.019 1046 A HA 0.254 4.581 4.320 0.012 0.000 0.219 1046 A C 0.302 178.110 177.584 0.372 0.000 1.164 1046 A CA 1.471 53.640 52.037 0.221 0.000 0.644 1046 A CB -0.283 18.837 19.000 0.200 0.000 0.805 1046 A HN 0.952 nan 8.150 nan 0.000 0.449 1047 F N -1.379 118.741 119.950 0.283 0.000 2.581 1047 F HA 0.432 4.966 4.527 0.012 0.000 0.311 1047 F C 0.046 175.972 175.800 0.210 0.000 1.113 1047 F CA -1.143 57.039 58.000 0.304 0.000 0.935 1047 F CB 1.937 41.042 39.000 0.174 0.000 1.232 1047 F HN 0.118 nan 8.300 nan 0.000 0.445 1048 V N 4.826 124.805 119.914 0.109 0.000 2.790 1048 V HA 0.060 4.187 4.120 0.012 0.000 0.304 1048 V C 0.458 176.644 176.094 0.154 0.000 1.142 1048 V CA -0.157 62.159 62.300 0.027 0.000 1.282 1048 V CB -0.072 31.653 31.823 -0.164 0.000 0.877 1048 V HN 0.919 nan 8.190 nan 0.000 0.504 1049 K N 3.022 123.466 120.400 0.073 0.000 4.007 1049 K HA -0.190 4.138 4.320 0.012 0.000 0.279 1049 K C -0.080 176.582 176.600 0.102 0.000 0.919 1049 K CA 1.265 57.591 56.287 0.065 0.000 0.800 1049 K CB -0.672 31.855 32.500 0.045 0.000 1.572 1049 K HN 0.987 nan 8.250 nan 0.000 0.443 1050 R N -0.283 120.284 120.500 0.111 0.000 2.728 1050 R HA 0.473 4.820 4.340 0.012 0.000 0.274 1050 R C -1.275 175.088 176.300 0.106 0.000 1.030 1050 R CA -0.238 55.931 56.100 0.115 0.000 0.876 1050 R CB 1.135 31.532 30.300 0.163 0.000 1.259 1050 R HN 0.275 nan 8.270 nan 0.000 0.468 1051 A N 3.019 125.899 122.820 0.101 0.000 2.580 1051 A HA 0.156 4.483 4.320 0.012 0.000 0.244 1051 A C -2.102 175.558 177.584 0.127 0.000 1.045 1051 A CA -0.283 51.817 52.037 0.106 0.000 0.761 1051 A CB -0.466 18.596 19.000 0.103 0.000 0.962 1051 A HN 0.272 nan 8.150 nan 0.000 0.512 1052 P HA 0.239 nan 4.420 nan 0.000 0.284 1052 P C -0.323 177.109 177.300 0.220 0.000 1.253 1052 P CA -0.222 62.943 63.100 0.108 0.000 0.800 1052 P CB 1.434 33.113 31.700 -0.035 0.000 0.961 1053 S N 1.365 117.207 115.700 0.236 0.000 2.541 1053 S HA 0.298 4.776 4.470 0.012 0.000 0.283 1053 S C 1.128 175.981 174.600 0.422 0.000 1.196 1053 S CA -0.293 58.094 58.200 0.311 0.000 1.062 1053 S CB 0.237 63.614 63.200 0.296 0.000 1.009 1053 S HN 0.383 nan 8.310 nan 0.000 0.502 1054 T N 3.764 118.585 114.554 0.445 0.000 2.851 1054 T HA -0.045 4.312 4.350 0.012 0.000 0.262 1054 T C 1.207 176.143 174.700 0.393 0.000 1.043 1054 T CA 0.935 63.307 62.100 0.453 0.000 1.140 1054 T CB -0.437 68.617 68.868 0.309 0.000 0.872 1054 T HN 0.843 nan 8.240 nan 0.000 0.446 1055 W N 1.676 123.097 121.300 0.201 0.000 2.355 1055 W HA -0.069 4.598 4.660 0.012 0.000 0.309 1055 W C 1.941 178.617 176.519 0.261 0.000 1.206 1055 W CA 0.648 58.108 57.345 0.191 0.000 1.284 1055 W CB -0.485 28.987 29.460 0.019 0.000 1.145 1055 W HN 0.134 nan 8.180 nan 0.000 0.502 1056 L N 0.596 122.110 121.223 0.485 0.000 2.056 1056 L HA -0.148 4.199 4.340 0.012 0.000 0.207 1056 L C 2.302 179.233 176.870 0.102 0.000 1.078 1056 L CA 2.824 57.856 54.840 0.320 0.000 0.749 1056 L CB -1.342 40.908 42.059 0.319 0.000 0.901 1056 L HN -0.045 nan 8.230 nan 0.000 0.433 1057 T N 0.090 114.733 114.554 0.149 0.000 2.652 1057 T HA -0.204 4.153 4.350 0.012 0.000 0.267 1057 T C 1.958 176.625 174.700 -0.056 0.000 1.039 1057 T CA 1.531 63.674 62.100 0.071 0.000 1.153 1057 T CB -0.848 68.193 68.868 0.289 0.000 0.863 1057 T HN 0.514 nan 8.240 nan 0.000 0.428 1058 A N 0.979 123.795 122.820 -0.006 0.000 1.873 1058 A HA -0.183 4.144 4.320 0.012 0.000 0.218 1058 A C 2.134 179.554 177.584 -0.274 0.000 1.193 1058 A CA 2.024 53.963 52.037 -0.163 0.000 0.629 1058 A CB -1.259 17.639 19.000 -0.171 0.000 0.826 1058 A HN 0.545 nan 8.150 nan 0.000 0.447 1059 Y N 0.818 120.918 120.300 -0.333 0.000 2.053 1059 Y HA -0.226 4.331 4.550 0.012 0.000 0.277 1059 Y C 2.483 178.165 175.900 -0.365 0.000 1.159 1059 Y CA 1.925 59.816 58.100 -0.348 0.000 1.125 1059 Y CB -0.749 37.509 38.460 -0.337 0.000 0.969 1059 Y HN 0.063 nan 8.280 nan 0.000 0.492 1060 V N -0.887 118.682 119.914 -0.576 0.000 2.332 1060 V HA -0.324 3.803 4.120 0.012 0.000 0.248 1060 V C 2.491 178.070 176.094 -0.859 0.000 1.055 1060 V CA 1.728 63.444 62.300 -0.972 0.000 1.038 1060 V CB -1.096 29.867 31.823 -1.432 0.000 0.651 1060 V HN 0.351 nan 8.190 nan 0.000 0.450 1061 V N -0.264 119.334 119.914 -0.527 0.000 2.392 1061 V HA -0.334 3.794 4.120 0.012 0.000 0.249 1061 V C 2.442 178.409 176.094 -0.211 0.000 1.059 1061 V CA 2.461 64.593 62.300 -0.280 0.000 1.051 1061 V CB -0.628 31.099 31.823 -0.161 0.000 0.658 1061 V HN 0.561 nan 8.190 nan 0.000 0.455 1062 K N -0.167 120.056 120.400 -0.295 0.000 1.985 1062 K HA -0.161 4.166 4.320 0.012 0.000 0.210 1062 K C 2.035 178.532 176.600 -0.172 0.000 1.047 1062 K CA 1.932 58.078 56.287 -0.234 0.000 0.932 1062 K CB -0.253 32.076 32.500 -0.284 0.000 0.716 1062 K HN 0.330 nan 8.250 nan 0.000 0.439 1063 V N 1.074 120.827 119.914 -0.270 0.000 2.343 1063 V HA -0.237 3.890 4.120 0.012 0.000 0.247 1063 V C 2.245 178.386 176.094 0.078 0.000 1.051 1063 V CA 1.593 63.807 62.300 -0.145 0.000 1.036 1063 V CB -0.670 31.000 31.823 -0.254 0.000 0.654 1063 V HN 0.218 nan 8.190 nan 0.000 0.451 1064 F N 1.230 121.065 119.950 -0.191 0.000 2.075 1064 F HA -0.145 4.389 4.527 0.012 0.000 0.297 1064 F C 2.772 178.510 175.800 -0.103 0.000 1.113 1064 F CA 1.539 59.465 58.000 -0.124 0.000 1.218 1064 F CB -1.336 37.616 39.000 -0.080 0.000 0.984 1064 F HN 0.074 nan 8.300 nan 0.000 0.472 1065 S N -0.087 115.678 115.700 0.109 0.000 2.383 1065 S HA -0.174 4.304 4.470 0.012 0.000 0.229 1065 S C 1.863 176.477 174.600 0.023 0.000 1.030 1065 S CA 0.868 59.090 58.200 0.036 0.000 1.002 1065 S CB -0.575 62.625 63.200 0.000 0.000 0.829 1065 S HN 0.203 nan 8.310 nan 0.000 0.467 1066 L N 0.450 121.691 121.223 0.030 0.000 2.627 1066 L HA 0.310 4.657 4.340 0.012 0.000 0.233 1066 L C 1.572 178.511 176.870 0.115 0.000 1.144 1066 L CA 0.386 55.280 54.840 0.090 0.000 0.892 1066 L CB -0.341 41.769 42.059 0.084 0.000 1.039 1066 L HN 0.251 nan 8.230 nan 0.000 0.442 1067 A N -2.021 120.802 122.820 0.005 0.000 2.324 1067 A HA 0.143 4.470 4.320 0.012 0.000 0.220 1067 A C 1.962 179.481 177.584 -0.107 0.000 1.209 1067 A CA 0.610 52.596 52.037 -0.084 0.000 0.918 1067 A CB -0.355 18.553 19.000 -0.154 0.000 0.959 1067 A HN 0.200 nan 8.150 nan 0.000 0.507 1068 V N 0.003 119.869 119.914 -0.079 0.000 2.439 1068 V HA -0.346 3.781 4.120 0.012 0.000 0.253 1068 V C 1.898 177.946 176.094 -0.076 0.000 1.074 1068 V CA 2.580 64.822 62.300 -0.096 0.000 1.076 1068 V CB -1.214 30.578 31.823 -0.053 0.000 0.664 1068 V HN 0.725 nan 8.190 nan 0.000 0.461 1069 N N 0.414 119.097 118.700 -0.028 0.000 2.207 1069 N HA -0.061 4.686 4.740 0.012 0.000 0.182 1069 N C 1.871 177.360 175.510 -0.035 0.000 1.020 1069 N CA 1.716 54.760 53.050 -0.010 0.000 0.858 1069 N CB -0.036 38.483 38.487 0.052 0.000 0.991 1069 N HN 0.573 nan 8.380 nan 0.000 0.427 1070 L N 0.763 121.955 121.223 -0.050 0.000 2.023 1070 L HA 0.094 4.442 4.340 0.012 0.000 0.205 1070 L C 1.414 178.217 176.870 -0.113 0.000 1.073 1070 L CA 0.764 55.555 54.840 -0.081 0.000 0.745 1070 L CB -0.264 41.724 42.059 -0.118 0.000 0.900 1070 L HN 0.275 nan 8.230 nan 0.000 0.435 1071 I N -3.695 116.780 120.570 -0.158 0.000 3.170 1071 I HA 0.662 4.839 4.170 0.012 0.000 0.312 1071 I C -0.124 175.853 176.117 -0.232 0.000 1.085 1071 I CA -1.193 59.996 61.300 -0.185 0.000 0.999 1071 I CB 1.602 39.476 38.000 -0.210 0.000 1.233 1071 I HN -0.204 nan 8.210 nan 0.000 0.467 1072 A N 3.997 126.679 122.820 -0.229 0.000 2.438 1072 A HA 0.524 4.851 4.320 0.012 0.000 0.280 1072 A C -0.219 177.115 177.584 -0.417 0.000 1.160 1072 A CA -0.141 51.755 52.037 -0.234 0.000 0.821 1072 A CB -0.572 18.340 19.000 -0.146 0.000 1.101 1072 A HN 0.494 nan 8.150 nan 0.000 0.515 1073 I N 2.582 122.909 120.570 -0.405 0.000 2.336 1073 I HA 0.151 4.328 4.170 0.012 0.000 0.292 1073 I C -0.005 175.990 176.117 -0.205 0.000 0.991 1073 I CA -0.580 60.407 61.300 -0.522 0.000 1.227 1073 I CB 1.387 39.098 38.000 -0.481 0.000 1.366 1073 I HN 0.627 nan 8.210 nan 0.000 0.466 1074 D N 3.947 124.301 120.400 -0.076 0.000 2.363 1074 D HA -0.009 4.638 4.640 0.012 0.000 0.263 1074 D C 1.432 177.773 176.300 0.068 0.000 1.258 1074 D CA 0.273 54.300 54.000 0.046 0.000 0.907 1074 D CB 1.004 41.887 40.800 0.138 0.000 1.107 1074 D HN 0.579 nan 8.370 nan 0.000 0.495 1075 S N 3.330 119.054 115.700 0.041 0.000 2.419 1075 S HA -0.225 4.253 4.470 0.012 0.000 0.233 1075 S C 1.596 176.245 174.600 0.081 0.000 1.016 1075 S CA 0.612 58.845 58.200 0.054 0.000 0.974 1075 S CB -0.169 63.050 63.200 0.031 0.000 0.786 1075 S HN 0.548 nan 8.310 nan 0.000 0.492 1076 Q N 0.937 120.784 119.800 0.077 0.000 2.020 1076 Q HA -0.044 4.303 4.340 0.012 0.000 0.202 1076 Q C 2.543 178.612 176.000 0.115 0.000 0.982 1076 Q CA 1.632 57.484 55.803 0.082 0.000 0.838 1076 Q CB -0.836 27.940 28.738 0.063 0.000 0.899 1076 Q HN 0.559 nan 8.270 nan 0.000 0.423 1077 V N 1.397 121.405 119.914 0.155 0.000 2.295 1077 V HA -0.251 3.877 4.120 0.012 0.000 0.246 1077 V C 2.386 178.658 176.094 0.296 0.000 1.049 1077 V CA 1.645 64.082 62.300 0.228 0.000 1.024 1077 V CB -0.678 31.345 31.823 0.333 0.000 0.648 1077 V HN 0.246 nan 8.190 nan 0.000 0.447 1078 L N -0.080 121.319 121.223 0.294 0.000 2.005 1078 L HA -0.145 4.202 4.340 0.012 0.000 0.207 1078 L C 2.317 179.297 176.870 0.185 0.000 1.072 1078 L CA 2.347 57.357 54.840 0.283 0.000 0.744 1078 L CB -0.857 41.341 42.059 0.231 0.000 0.895 1078 L HN 0.343 nan 8.230 nan 0.000 0.433 1079 c N 0.398 119.082 118.600 0.140 0.000 2.448 1079 c HA 0.112 4.689 4.570 0.012 0.000 0.280 1079 c C 2.706 176.871 174.090 0.126 0.000 1.398 1079 c CA 0.299 56.695 56.329 0.112 0.000 1.774 1079 c CB -1.862 40.697 42.510 0.082 0.000 1.888 1079 c HN 0.780 nan 8.230 nan 0.000 0.519 1080 G N 0.559 109.441 108.800 0.135 0.000 2.422 1080 G HA2 0.014 3.981 3.960 0.012 0.000 0.218 1080 G HA3 0.014 3.981 3.960 0.012 0.000 0.218 1080 G C 1.806 176.826 174.900 0.200 0.000 1.140 1080 G CA 0.995 46.181 45.100 0.143 0.000 0.775 1080 G HN 0.585 nan 8.290 nan 0.000 0.545 1081 A N 0.221 123.166 122.820 0.208 0.000 1.872 1081 A HA 0.170 4.497 4.320 0.012 0.000 0.214 1081 A C 2.564 180.324 177.584 0.292 0.000 1.187 1081 A CA 1.540 53.736 52.037 0.266 0.000 0.614 1081 A CB -0.537 18.612 19.000 0.247 0.000 0.826 1081 A HN 0.215 nan 8.150 nan 0.000 0.442 1082 V N 0.370 120.397 119.914 0.188 0.000 2.332 1082 V HA -0.276 3.851 4.120 0.012 0.000 0.248 1082 V C 2.490 178.679 176.094 0.158 0.000 1.055 1082 V CA 2.384 64.768 62.300 0.140 0.000 1.038 1082 V CB -0.688 31.188 31.823 0.088 0.000 0.651 1082 V HN 0.622 nan 8.190 nan 0.000 0.450 1083 K N -1.410 119.091 120.400 0.169 0.000 2.147 1083 K HA -0.241 4.086 4.320 0.012 0.000 0.205 1083 K C 1.960 178.677 176.600 0.196 0.000 1.049 1083 K CA 1.792 58.170 56.287 0.153 0.000 0.936 1083 K CB -0.194 32.389 32.500 0.140 0.000 0.722 1083 K HN 0.633 nan 8.250 nan 0.000 0.446 1084 W N 1.000 122.344 121.300 0.073 0.000 2.441 1084 W HA -0.064 4.604 4.660 0.012 0.000 0.302 1084 W C 1.329 177.907 176.519 0.099 0.000 1.191 1084 W CA 0.928 58.321 57.345 0.079 0.000 1.327 1084 W CB -0.262 29.247 29.460 0.081 0.000 1.128 1084 W HN -0.077 nan 8.180 nan 0.000 0.522 1085 L N 0.400 121.709 121.223 0.143 0.000 2.042 1085 L HA -0.264 4.083 4.340 0.012 0.000 0.210 1085 L C 2.406 179.286 176.870 0.018 0.000 1.076 1085 L CA 1.670 56.487 54.840 -0.039 0.000 0.749 1085 L CB -0.873 41.258 42.059 0.120 0.000 0.893 1085 L HN 0.049 nan 8.230 nan 0.000 0.432 1086 I N -0.729 119.890 120.570 0.082 0.000 2.193 1086 I HA -0.268 3.909 4.170 0.012 0.000 0.240 1086 I C 2.328 178.420 176.117 -0.042 0.000 1.084 1086 I CA 1.233 62.581 61.300 0.080 0.000 1.365 1086 I CB -0.182 37.868 38.000 0.084 0.000 1.064 1086 I HN 0.166 nan 8.210 nan 0.000 0.410 1087 L N -0.058 121.132 121.223 -0.055 0.000 2.217 1087 L HA -0.127 4.221 4.340 0.012 0.000 0.211 1087 L C 2.048 178.839 176.870 -0.132 0.000 1.107 1087 L CA 1.346 56.145 54.840 -0.069 0.000 0.783 1087 L CB -0.255 41.793 42.059 -0.019 0.000 0.919 1087 L HN 0.310 nan 8.230 nan 0.000 0.442 1088 E N -1.366 118.683 120.200 -0.253 0.000 2.421 1088 E HA 0.007 4.364 4.350 0.012 0.000 0.209 1088 E C 1.579 177.980 176.600 -0.331 0.000 0.871 1088 E CA -0.081 56.130 56.400 -0.314 0.000 1.064 1088 E CB 0.593 30.021 29.700 -0.454 0.000 1.075 1088 E HN 0.102 nan 8.360 nan 0.000 0.513 1089 K N 0.665 120.844 120.400 -0.368 0.000 2.348 1089 K HA 0.122 4.449 4.320 0.012 0.000 0.194 1089 K C 0.515 177.039 176.600 -0.125 0.000 1.052 1089 K CA 0.149 56.292 56.287 -0.240 0.000 1.004 1089 K CB 0.655 32.983 32.500 -0.287 0.000 0.873 1089 K HN 0.043 nan 8.250 nan 0.000 0.523 1090 Q N 2.032 121.703 119.800 -0.214 0.000 2.322 1090 Q HA 0.116 4.463 4.340 0.012 0.000 0.256 1090 Q C -0.849 174.942 176.000 -0.347 0.000 0.960 1090 Q CA -0.203 55.304 55.803 -0.493 0.000 0.934 1090 Q CB 0.743 29.040 28.738 -0.736 0.000 1.200 1090 Q HN -0.091 nan 8.270 nan 0.000 0.435 1091 K N 4.654 124.850 120.400 -0.340 0.000 2.355 1091 K HA 0.053 4.380 4.320 0.012 0.000 0.270 1091 K C -1.849 174.603 176.600 -0.247 0.000 1.003 1091 K CA -1.449 54.691 56.287 -0.246 0.000 0.957 1091 K CB 0.477 32.841 32.500 -0.228 0.000 0.939 1091 K HN 0.477 nan 8.250 nan 0.000 0.482 1092 P HA -0.190 nan 4.420 nan 0.000 0.220 1092 P C -0.003 177.217 177.300 -0.133 0.000 1.144 1092 P CA 1.215 64.235 63.100 -0.133 0.000 0.800 1092 P CB 0.153 31.800 31.700 -0.089 0.000 0.772 1093 D N -1.801 118.502 120.400 -0.160 0.000 2.312 1093 D HA -0.024 4.623 4.640 0.012 0.000 0.211 1093 D C 1.754 177.939 176.300 -0.192 0.000 0.964 1093 D CA 1.421 55.338 54.000 -0.139 0.000 0.877 1093 D CB -0.432 40.273 40.800 -0.158 0.000 0.924 1093 D HN 0.268 nan 8.370 nan 0.000 0.515 1094 G N 0.052 108.669 108.800 -0.305 0.000 2.218 1094 G HA2 -0.261 3.706 3.960 0.012 0.000 0.216 1094 G HA3 -0.261 3.706 3.960 0.012 0.000 0.216 1094 G C 0.385 174.931 174.900 -0.589 0.000 0.994 1094 G CA 0.140 45.032 45.100 -0.347 0.000 0.637 1094 G HN 0.303 nan 8.290 nan 0.000 0.505 1095 V N 1.246 120.720 119.914 -0.733 0.000 3.051 1095 V HA 0.603 4.730 4.120 0.012 0.000 0.306 1095 V C 0.559 176.296 176.094 -0.595 0.000 1.083 1095 V CA -0.004 61.874 62.300 -0.702 0.000 1.104 1095 V CB 0.876 32.274 31.823 -0.708 0.000 1.027 1095 V HN 0.192 nan 8.190 nan 0.000 0.483 1096 F N 1.203 121.061 119.950 -0.154 0.000 2.422 1096 F HA 0.466 5.000 4.527 0.012 0.000 0.333 1096 F C 0.537 176.303 175.800 -0.055 0.000 1.095 1096 F CA -0.507 57.442 58.000 -0.084 0.000 1.038 1096 F CB 1.213 40.201 39.000 -0.020 0.000 1.156 1096 F HN 0.363 nan 8.300 nan 0.000 0.483 1097 Q N 1.543 121.408 119.800 0.109 0.000 2.230 1097 Q HA 0.272 4.619 4.340 0.012 0.000 0.248 1097 Q C -0.859 175.213 176.000 0.120 0.000 0.915 1097 Q CA -0.616 55.227 55.803 0.068 0.000 0.900 1097 Q CB 2.101 30.840 28.738 0.002 0.000 1.229 1097 Q HN 0.558 nan 8.270 nan 0.000 0.439 1098 E N 1.067 121.336 120.200 0.116 0.000 2.165 1098 E HA 0.194 4.551 4.350 0.012 0.000 0.266 1098 E C -0.839 175.831 176.600 0.116 0.000 0.889 1098 E CA -0.147 56.339 56.400 0.144 0.000 0.756 1098 E CB 0.742 30.528 29.700 0.142 0.000 1.131 1098 E HN 0.313 nan 8.360 nan 0.000 0.411 1099 D N 2.683 123.170 120.400 0.145 0.000 2.454 1099 D HA 0.226 4.873 4.640 0.012 0.000 0.214 1099 D C 0.099 176.476 176.300 0.129 0.000 1.088 1099 D CA 0.151 54.226 54.000 0.126 0.000 0.855 1099 D CB 0.577 41.460 40.800 0.139 0.000 1.025 1099 D HN 0.463 nan 8.370 nan 0.000 0.502 1100 A N 1.805 124.718 122.820 0.154 0.000 2.272 1100 A HA 0.510 4.837 4.320 0.012 0.000 0.275 1100 A C -2.201 175.438 177.584 0.092 0.000 1.096 1100 A CA -0.989 51.127 52.037 0.132 0.000 0.822 1100 A CB -0.176 18.923 19.000 0.165 0.000 1.088 1100 A HN -0.111 nan 8.150 nan 0.000 0.495 1101 P HA 0.208 nan 4.420 nan 0.000 0.267 1101 P C -0.156 177.157 177.300 0.023 0.000 1.205 1101 P CA 0.025 63.147 63.100 0.036 0.000 0.765 1101 P CB 0.286 32.003 31.700 0.029 0.000 0.828 1102 V N 1.877 121.782 119.914 -0.016 0.000 2.529 1102 V HA 0.034 4.161 4.120 0.012 0.000 0.292 1102 V C 1.658 177.678 176.094 -0.124 0.000 1.028 1102 V CA 0.111 62.367 62.300 -0.074 0.000 1.074 1102 V CB -0.545 31.215 31.823 -0.105 0.000 0.958 1102 V HN 0.394 nan 8.190 nan 0.000 0.481 1103 I N 1.633 122.091 120.570 -0.187 0.000 2.406 1103 I HA 0.048 4.225 4.170 0.012 0.000 0.249 1103 I C 1.397 177.317 176.117 -0.329 0.000 1.122 1103 I CA 1.080 62.245 61.300 -0.226 0.000 1.431 1103 I CB -0.365 37.501 38.000 -0.222 0.000 1.087 1103 I HN 0.798 nan 8.210 nan 0.000 0.424 1104 H N 0.033 118.705 119.070 -0.663 0.000 2.669 1104 H HA 0.339 4.902 4.556 0.012 0.000 0.318 1104 H C 0.009 175.089 175.328 -0.414 0.000 1.429 1104 H CA -0.835 54.831 56.048 -0.638 0.000 1.460 1104 H CB 0.562 29.644 29.762 -1.133 0.000 1.784 1104 H HN -0.002 nan 8.280 nan 0.000 0.750 1105 Q N 0.454 119.735 119.800 -0.866 0.000 2.700 1105 Q HA -0.211 4.136 4.340 0.012 0.000 0.399 1105 Q C 0.088 175.855 176.000 -0.388 0.000 1.370 1105 Q CA 1.987 57.358 55.803 -0.720 0.000 1.059 1105 Q CB 0.335 28.562 28.738 -0.852 0.000 1.241 1105 Q HN 0.789 nan 8.270 nan 0.000 0.508 1106 E N 1.147 121.156 120.200 -0.319 0.000 3.867 1106 E HA -0.043 4.314 4.350 0.012 0.000 0.165 1106 E C 0.167 176.679 176.600 -0.148 0.000 1.508 1106 E CA 0.436 56.717 56.400 -0.198 0.000 1.078 1106 E CB -0.353 29.238 29.700 -0.182 0.000 2.384 1106 E HN 0.764 nan 8.360 nan 0.000 0.885 1107 M N 1.224 120.745 119.600 -0.132 0.000 7.319 1107 M HA -0.306 4.181 4.480 0.012 0.000 0.345 1107 M C 0.727 176.988 176.300 -0.065 0.000 0.480 1107 M CA 1.872 57.116 55.300 -0.095 0.000 1.311 1107 M CB -2.857 29.684 32.600 -0.099 0.000 0.421 1107 M HN 0.656 nan 8.290 nan 0.000 1.020 1108 I N 1.411 121.947 120.570 -0.057 0.000 3.038 1108 I HA -0.088 4.090 4.170 0.012 0.000 0.253 1108 I C 0.997 177.097 176.117 -0.029 0.000 0.952 1108 I CA 0.642 61.919 61.300 -0.038 0.000 2.402 1108 I CB -0.645 37.336 38.000 -0.032 0.000 0.846 1108 I HN 0.797 nan 8.210 nan 0.000 0.376 1109 G N 4.199 112.985 108.800 -0.023 0.000 2.679 1109 G HA2 0.291 4.258 3.960 0.012 0.000 0.185 1109 G HA3 0.291 4.258 3.960 0.012 0.000 0.185 1109 G C 0.919 175.812 174.900 -0.011 0.000 1.656 1109 G CA 0.228 45.318 45.100 -0.017 0.000 0.892 1109 G HN 1.252 nan 8.290 nan 0.000 0.389 1110 G N -0.769 108.026 108.800 -0.008 0.000 3.820 1110 G HA2 0.407 4.374 3.960 0.012 0.000 0.293 1110 G HA3 0.407 4.374 3.960 0.012 0.000 0.293 1110 G C 0.149 175.047 174.900 -0.004 0.000 1.152 1110 G CA -0.286 44.811 45.100 -0.004 0.000 0.921 1110 G HN 0.310 nan 8.290 nan 0.000 0.544 1111 L N -0.180 121.039 121.223 -0.006 0.000 3.154 1111 L HA 0.472 4.819 4.340 0.012 0.000 0.266 1111 L C 1.887 178.755 176.870 -0.005 0.000 1.300 1111 L CA -0.241 54.596 54.840 -0.006 0.000 1.028 1111 L CB 0.027 42.080 42.059 -0.010 0.000 1.412 1111 L HN 0.079 nan 8.230 nan 0.000 0.564 1112 R N -0.288 120.212 120.500 -0.001 0.000 2.043 1112 R HA 0.110 4.457 4.340 0.012 0.000 0.221 1112 R C 1.262 177.567 176.300 0.008 0.000 1.196 1112 R CA 0.997 57.099 56.100 0.003 0.000 0.949 1112 R CB -0.167 30.137 30.300 0.007 0.000 0.838 1112 R HN 0.466 nan 8.270 nan 0.000 0.446 1113 N N -2.025 116.684 118.700 0.014 0.000 2.509 1113 N HA -0.254 4.493 4.740 0.012 0.000 0.201 1113 N C -0.243 175.287 175.510 0.034 0.000 1.341 1113 N CA 1.648 54.711 53.050 0.021 0.000 2.622 1113 N CB -1.243 37.255 38.487 0.019 0.000 0.861 1113 N HN 0.471 nan 8.380 nan 0.000 0.466 1114 N N -1.396 117.325 118.700 0.034 0.000 2.984 1114 N HA -0.164 4.583 4.740 0.012 0.000 0.227 1114 N C -1.047 174.508 175.510 0.076 0.000 0.903 1114 N CA 1.077 54.154 53.050 0.045 0.000 0.995 1114 N CB -1.565 36.947 38.487 0.042 0.000 1.065 1114 N HN 0.566 nan 8.380 nan 0.000 0.585 1115 N N 1.529 120.278 118.700 0.082 0.000 2.288 1115 N HA 0.037 4.784 4.740 0.012 0.000 0.237 1115 N C 1.233 176.796 175.510 0.089 0.000 1.311 1115 N CA 0.674 53.791 53.050 0.112 0.000 0.909 1115 N CB 0.320 38.854 38.487 0.078 0.000 1.167 1115 N HN 0.182 nan 8.380 nan 0.000 0.476 1116 E N -0.735 119.528 120.200 0.106 0.000 5.150 1116 E HA -0.377 3.980 4.350 0.012 0.000 0.167 1116 E C 1.064 177.727 176.600 0.105 0.000 1.196 1116 E CA 1.737 58.194 56.400 0.094 0.000 2.189 1116 E CB -0.851 28.879 29.700 0.050 0.000 1.820 1116 E HN 0.636 nan 8.360 nan 0.000 0.420 1117 K N 0.875 121.326 120.400 0.084 0.000 2.026 1117 K HA -0.178 4.149 4.320 0.012 0.000 0.208 1117 K C 1.450 178.127 176.600 0.128 0.000 1.048 1117 K CA 2.153 58.487 56.287 0.078 0.000 0.929 1117 K CB 0.006 32.537 32.500 0.051 0.000 0.713 1117 K HN 0.069 nan 8.250 nan 0.000 0.439 1118 D N 0.123 120.618 120.400 0.158 0.000 2.149 1118 D HA -0.101 4.546 4.640 0.012 0.000 0.201 1118 D C 1.940 178.426 176.300 0.310 0.000 0.972 1118 D CA 0.868 54.983 54.000 0.193 0.000 0.835 1118 D CB 0.041 40.959 40.800 0.195 0.000 0.966 1118 D HN 0.168 nan 8.370 nan 0.000 0.476 1119 M N 0.339 120.141 119.600 0.337 0.000 2.200 1119 M HA 0.042 4.529 4.480 0.012 0.000 0.265 1119 M C 2.136 178.602 176.300 0.276 0.000 1.066 1119 M CA 0.665 56.174 55.300 0.349 0.000 1.127 1119 M CB -0.707 32.017 32.600 0.207 0.000 1.379 1119 M HN -0.017 nan 8.290 nan 0.000 0.420 1120 A N -0.012 122.948 122.820 0.234 0.000 1.872 1120 A HA -0.132 4.195 4.320 0.012 0.000 0.214 1120 A C 2.139 179.893 177.584 0.284 0.000 1.187 1120 A CA 1.186 53.372 52.037 0.248 0.000 0.614 1120 A CB -0.862 18.274 19.000 0.227 0.000 0.826 1120 A HN 0.406 nan 8.150 nan 0.000 0.442 1121 L N -0.311 121.077 121.223 0.275 0.000 2.056 1121 L HA -0.076 4.271 4.340 0.012 0.000 0.207 1121 L C 2.409 179.458 176.870 0.298 0.000 1.078 1121 L CA 2.735 57.766 54.840 0.318 0.000 0.749 1121 L CB -1.026 41.200 42.059 0.278 0.000 0.901 1121 L HN 0.346 nan 8.230 nan 0.000 0.433 1122 T N -0.027 114.719 114.554 0.320 0.000 2.759 1122 T HA -0.177 4.180 4.350 0.012 0.000 0.269 1122 T C 1.916 176.761 174.700 0.240 0.000 1.042 1122 T CA 1.334 63.669 62.100 0.392 0.000 1.140 1122 T CB -0.506 68.617 68.868 0.425 0.000 0.864 1122 T HN 0.544 nan 8.240 nan 0.000 0.455 1123 A N 0.902 123.858 122.820 0.226 0.000 1.908 1123 A HA -0.072 4.256 4.320 0.012 0.000 0.218 1123 A C 2.012 179.642 177.584 0.075 0.000 1.181 1123 A CA 1.494 53.612 52.037 0.135 0.000 0.627 1123 A CB -0.952 18.129 19.000 0.135 0.000 0.818 1123 A HN 0.517 nan 8.150 nan 0.000 0.445 1124 F N 0.384 120.328 119.950 -0.009 0.000 2.259 1124 F HA -0.069 4.466 4.527 0.012 0.000 0.298 1124 F C 2.090 177.799 175.800 -0.152 0.000 1.088 1124 F CA 1.590 59.554 58.000 -0.059 0.000 1.358 1124 F CB 0.018 39.027 39.000 0.016 0.000 1.040 1124 F HN 0.021 nan 8.300 nan 0.000 0.505 1125 V N 0.071 119.884 119.914 -0.169 0.000 2.488 1125 V HA -0.205 3.923 4.120 0.012 0.000 0.246 1125 V C 2.210 178.049 176.094 -0.424 0.000 1.046 1125 V CA 1.346 63.363 62.300 -0.473 0.000 1.053 1125 V CB -0.581 30.663 31.823 -0.966 0.000 0.679 1125 V HN 0.371 nan 8.190 nan 0.000 0.458 1126 L N 0.025 121.109 121.223 -0.231 0.000 2.141 1126 L HA -0.008 4.339 4.340 0.012 0.000 0.209 1126 L C 2.087 178.852 176.870 -0.175 0.000 1.094 1126 L CA 1.706 56.477 54.840 -0.114 0.000 0.763 1126 L CB -0.483 41.581 42.059 0.009 0.000 0.908 1126 L HN 0.210 nan 8.230 nan 0.000 0.437 1127 I N -1.163 119.272 120.570 -0.225 0.000 2.361 1127 I HA -0.269 3.909 4.170 0.012 0.000 0.251 1127 I C 2.217 178.178 176.117 -0.259 0.000 1.133 1127 I CA 1.170 62.323 61.300 -0.245 0.000 1.413 1127 I CB -0.266 37.626 38.000 -0.181 0.000 1.073 1127 I HN 0.207 nan 8.210 nan 0.000 0.424 1128 S N 0.634 116.124 115.700 -0.350 0.000 2.371 1128 S HA -0.003 4.475 4.470 0.012 0.000 0.224 1128 S C 1.905 176.381 174.600 -0.207 0.000 1.029 1128 S CA 0.934 58.938 58.200 -0.328 0.000 0.978 1128 S CB -0.198 62.747 63.200 -0.425 0.000 0.833 1128 S HN 0.357 nan 8.310 nan 0.000 0.466 1129 L N 1.523 122.639 121.223 -0.180 0.000 2.376 1129 L HA -0.034 4.313 4.340 0.012 0.000 0.219 1129 L C 2.350 179.172 176.870 -0.080 0.000 1.133 1129 L CA 0.752 55.529 54.840 -0.104 0.000 0.816 1129 L CB -0.448 41.573 42.059 -0.063 0.000 0.933 1129 L HN 0.346 nan 8.230 nan 0.000 0.449 1130 Q N -0.345 119.394 119.800 -0.102 0.000 2.435 1130 Q HA -0.140 4.208 4.340 0.012 0.000 0.207 1130 Q C 1.520 177.477 176.000 -0.073 0.000 0.956 1130 Q CA 0.738 56.488 55.803 -0.088 0.000 0.917 1130 Q CB 0.245 28.912 28.738 -0.118 0.000 0.997 1130 Q HN 0.402 nan 8.270 nan 0.000 0.497 1131 E N 0.653 120.807 120.200 -0.076 0.000 2.250 1131 E HA 0.034 4.391 4.350 0.012 0.000 0.192 1131 E C 1.320 177.897 176.600 -0.038 0.000 0.986 1131 E CA 0.750 57.116 56.400 -0.056 0.000 0.849 1131 E CB 0.166 29.828 29.700 -0.064 0.000 0.797 1131 E HN 0.303 nan 8.360 nan 0.000 0.482 1132 A N 0.077 122.874 122.820 -0.038 0.000 2.267 1132 A HA 0.065 4.392 4.320 0.012 0.000 0.213 1132 A C 1.619 179.196 177.584 -0.012 0.000 1.192 1132 A CA 0.014 52.041 52.037 -0.016 0.000 0.851 1132 A CB -0.026 18.970 19.000 -0.007 0.000 0.881 1132 A HN -0.018 nan 8.150 nan 0.000 0.494 1133 K N 1.126 121.513 120.400 -0.022 0.000 2.001 1133 K HA -0.212 4.115 4.320 0.012 0.000 0.223 1133 K C 0.734 177.327 176.600 -0.011 0.000 1.055 1133 K CA 1.958 58.234 56.287 -0.018 0.000 0.965 1133 K CB -0.265 32.218 32.500 -0.028 0.000 0.730 1133 K HN 0.719 nan 8.250 nan 0.000 0.449 1134 D N -0.505 119.886 120.400 -0.015 0.000 2.395 1134 D HA 0.032 4.679 4.640 0.012 0.000 0.226 1134 D C 1.105 177.400 176.300 -0.008 0.000 1.146 1134 D CA 0.151 54.144 54.000 -0.012 0.000 0.830 1134 D CB 0.098 40.889 40.800 -0.016 0.000 0.958 1134 D HN 0.149 nan 8.370 nan 0.000 0.501 1135 I N -0.456 120.111 120.570 -0.004 0.000 3.443 1135 I HA 0.034 4.211 4.170 0.012 0.000 0.277 1135 I C 1.319 177.442 176.117 0.010 0.000 1.169 1135 I CA 0.443 61.744 61.300 0.001 0.000 1.419 1135 I CB 0.374 38.375 38.000 0.002 0.000 1.331 1135 I HN -0.007 nan 8.210 nan 0.000 0.458 1136 c N 1.411 120.020 118.600 0.015 0.000 2.271 1136 c HA 0.157 4.734 4.570 0.012 0.000 0.364 1136 c C 2.150 176.252 174.090 0.020 0.000 1.337 1136 c CA -0.322 56.021 56.329 0.024 0.000 1.753 1136 c CB -1.757 40.775 42.510 0.036 0.000 2.123 1136 c HN 0.396 nan 8.230 nan 0.000 0.577 1137 E N 1.932 122.139 120.200 0.012 0.000 2.015 1137 E HA -0.198 4.159 4.350 0.012 0.000 0.191 1137 E C 2.077 178.684 176.600 0.012 0.000 0.991 1137 E CA 1.547 57.952 56.400 0.009 0.000 0.802 1137 E CB 0.081 29.783 29.700 0.003 0.000 0.759 1137 E HN 0.573 nan 8.360 nan 0.000 0.447 1138 E N -0.612 119.595 120.200 0.011 0.000 2.230 1138 E HA -0.072 4.285 4.350 0.012 0.000 0.192 1138 E C 1.934 178.545 176.600 0.018 0.000 0.987 1138 E CA 0.606 57.013 56.400 0.012 0.000 0.841 1138 E CB 0.125 29.831 29.700 0.009 0.000 0.783 1138 E HN 0.213 nan 8.360 nan 0.000 0.481 1139 Q N -0.398 119.416 119.800 0.022 0.000 2.016 1139 Q HA -0.012 4.335 4.340 0.012 0.000 0.200 1139 Q C 0.088 176.109 176.000 0.035 0.000 0.978 1139 Q CA 0.926 56.747 55.803 0.031 0.000 0.833 1139 Q CB 0.249 29.009 28.738 0.037 0.000 0.895 1139 Q HN 0.117 nan 8.270 nan 0.000 0.427 1140 V N 2.616 122.551 119.914 0.035 0.000 2.357 1140 V HA 0.096 4.223 4.120 0.012 0.000 0.284 1140 V C 1.081 177.192 176.094 0.027 0.000 1.018 1140 V CA -0.424 61.899 62.300 0.038 0.000 0.841 1140 V CB 1.377 33.229 31.823 0.048 0.000 0.991 1140 V HN 0.310 nan 8.190 nan 0.000 0.437 1141 N N 3.565 122.279 118.700 0.024 0.000 2.080 1141 N HA -0.117 4.630 4.740 0.012 0.000 0.189 1141 N C 1.460 176.978 175.510 0.013 0.000 1.036 1141 N CA 1.818 54.877 53.050 0.016 0.000 0.846 1141 N CB 0.295 38.790 38.487 0.013 0.000 1.015 1141 N HN 0.701 nan 8.380 nan 0.000 0.423 1142 S N 0.624 116.332 115.700 0.014 0.000 2.582 1142 S HA 0.185 4.662 4.470 0.012 0.000 0.249 1142 S C 1.578 176.188 174.600 0.016 0.000 1.072 1142 S CA -0.531 57.674 58.200 0.009 0.000 1.115 1142 S CB -0.098 63.103 63.200 0.002 0.000 0.790 1142 S HN 0.302 nan 8.310 nan 0.000 0.459 1143 L N 1.061 122.296 121.223 0.020 0.000 2.023 1143 L HA 0.136 4.483 4.340 0.012 0.000 0.205 1143 L C -0.883 175.998 176.870 0.018 0.000 1.073 1143 L CA 0.907 55.762 54.840 0.025 0.000 0.745 1143 L CB -0.776 41.296 42.059 0.022 0.000 0.900 1143 L HN 0.289 nan 8.230 nan 0.000 0.435 1144 P HA -0.090 nan 4.420 nan 0.000 0.218 1144 P C 1.374 178.675 177.300 0.002 0.000 1.149 1144 P CA 1.512 64.614 63.100 0.002 0.000 0.817 1144 P CB -0.189 31.509 31.700 -0.002 0.000 0.785 1145 G N -0.639 108.162 108.800 0.001 0.000 2.403 1145 G HA2 -0.222 3.745 3.960 0.012 0.000 0.216 1145 G HA3 -0.222 3.745 3.960 0.012 0.000 0.216 1145 G C 1.842 176.739 174.900 -0.006 0.000 1.154 1145 G CA 0.918 46.016 45.100 -0.005 0.000 0.784 1145 G HN 0.297 nan 8.290 nan 0.000 0.538 1146 S N 0.255 115.957 115.700 0.004 0.000 2.370 1146 S HA -0.079 4.398 4.470 0.012 0.000 0.226 1146 S C 2.403 177.028 174.600 0.040 0.000 1.033 1146 S CA 1.133 59.338 58.200 0.009 0.000 1.011 1146 S CB -0.295 62.934 63.200 0.049 0.000 0.852 1146 S HN 0.355 nan 8.310 nan 0.000 0.457 1147 I N 1.045 121.646 120.570 0.051 0.000 2.226 1147 I HA -0.171 4.007 4.170 0.012 0.000 0.245 1147 I C 2.542 178.679 176.117 0.033 0.000 1.100 1147 I CA 1.556 62.888 61.300 0.053 0.000 1.374 1147 I CB -0.764 37.248 38.000 0.020 0.000 1.057 1147 I HN 0.365 nan 8.210 nan 0.000 0.413 1148 T N 0.761 115.323 114.554 0.013 0.000 2.708 1148 T HA -0.188 4.169 4.350 0.012 0.000 0.266 1148 T C 1.857 176.566 174.700 0.014 0.000 1.037 1148 T CA 1.234 63.338 62.100 0.007 0.000 1.146 1148 T CB -0.209 68.657 68.868 -0.002 0.000 0.865 1148 T HN 0.321 nan 8.240 nan 0.000 0.435 1149 K N 1.346 121.745 120.400 -0.002 0.000 2.044 1149 K HA -0.080 4.247 4.320 0.012 0.000 0.210 1149 K C 2.679 179.289 176.600 0.017 0.000 1.049 1149 K CA 1.458 57.736 56.287 -0.016 0.000 0.927 1149 K CB -0.361 32.093 32.500 -0.077 0.000 0.713 1149 K HN 0.333 nan 8.250 nan 0.000 0.443 1150 A N 1.164 124.001 122.820 0.027 0.000 1.929 1150 A HA -0.027 4.300 4.320 0.012 0.000 0.216 1150 A C 2.462 180.141 177.584 0.158 0.000 1.176 1150 A CA 1.649 53.753 52.037 0.112 0.000 0.628 1150 A CB -0.989 18.150 19.000 0.233 0.000 0.816 1150 A HN 0.421 nan 8.150 nan 0.000 0.444 1151 G N -0.129 108.725 108.800 0.090 0.000 2.422 1151 G HA2 -0.210 3.757 3.960 0.012 0.000 0.218 1151 G HA3 -0.210 3.757 3.960 0.012 0.000 0.218 1151 G C 1.050 175.980 174.900 0.050 0.000 1.146 1151 G CA 1.290 46.420 45.100 0.050 0.000 0.769 1151 G HN 0.465 nan 8.290 nan 0.000 0.547 1152 D N -0.238 120.201 120.400 0.064 0.000 2.149 1152 D HA -0.064 4.583 4.640 0.012 0.000 0.201 1152 D C 1.861 178.217 176.300 0.093 0.000 0.972 1152 D CA 0.270 54.304 54.000 0.056 0.000 0.835 1152 D CB -0.371 40.458 40.800 0.048 0.000 0.966 1152 D HN 0.279 nan 8.370 nan 0.000 0.476 1153 F N 1.102 121.052 119.950 0.000 0.000 2.216 1153 F HA -0.099 4.435 4.527 0.012 0.000 0.300 1153 F C 1.831 177.656 175.800 0.042 0.000 1.085 1153 F CA 1.010 59.019 58.000 0.015 0.000 1.326 1153 F CB -0.098 38.907 39.000 0.007 0.000 1.027 1153 F HN -0.084 nan 8.300 nan 0.000 0.497 1154 L N 0.350 121.617 121.223 0.073 0.000 1.973 1154 L HA -0.212 4.135 4.340 0.012 0.000 0.208 1154 L C 2.352 179.200 176.870 -0.036 0.000 1.073 1154 L CA 2.002 56.852 54.840 0.017 0.000 0.746 1154 L CB -1.057 41.042 42.059 0.066 0.000 0.891 1154 L HN 0.230 nan 8.230 nan 0.000 0.433 1155 E N 0.175 120.344 120.200 -0.052 0.000 2.526 1155 E HA -0.057 4.300 4.350 0.012 0.000 0.198 1155 E C 1.425 178.002 176.600 -0.038 0.000 1.091 1155 E CA 0.685 57.045 56.400 -0.067 0.000 0.880 1155 E CB 0.128 29.776 29.700 -0.087 0.000 0.873 1155 E HN 0.436 nan 8.360 nan 0.000 0.527 1156 A N 1.679 124.456 122.820 -0.073 0.000 1.970 1156 A HA 0.077 4.404 4.320 0.012 0.000 0.204 1156 A C 1.813 179.336 177.584 -0.103 0.000 1.325 1156 A CA 0.271 52.259 52.037 -0.082 0.000 0.767 1156 A CB -0.088 18.852 19.000 -0.101 0.000 0.949 1156 A HN 0.205 nan 8.150 nan 0.000 0.481 1157 N N -1.433 117.137 118.700 -0.216 0.000 2.398 1157 N HA -0.020 4.727 4.740 0.012 0.000 0.188 1157 N C 1.192 176.654 175.510 -0.080 0.000 1.122 1157 N CA 0.379 53.298 53.050 -0.219 0.000 0.866 1157 N CB 0.044 38.245 38.487 -0.477 0.000 0.970 1157 N HN 0.576 nan 8.380 nan 0.000 0.462 1158 Y N 1.738 121.961 120.300 -0.130 0.000 2.224 1158 Y HA -0.034 4.523 4.550 0.012 0.000 0.289 1158 Y C 2.107 177.993 175.900 -0.023 0.000 1.146 1158 Y CA 1.281 59.347 58.100 -0.058 0.000 1.182 1158 Y CB 0.093 38.528 38.460 -0.041 0.000 0.983 1158 Y HN -0.031 nan 8.280 nan 0.000 0.524 1159 M N -0.031 119.617 119.600 0.080 0.000 2.659 1159 M HA -0.056 4.431 4.480 0.012 0.000 0.243 1159 M C 0.344 176.622 176.300 -0.037 0.000 1.111 1159 M CA 1.053 56.371 55.300 0.031 0.000 1.070 1159 M CB -1.020 31.619 32.600 0.065 0.000 1.525 1159 M HN 0.406 nan 8.290 nan 0.000 0.517 1160 N N -0.522 118.137 118.700 -0.068 0.000 2.184 1160 N HA 0.221 4.968 4.740 0.012 0.000 0.206 1160 N C -0.184 175.279 175.510 -0.080 0.000 1.151 1160 N CA -0.138 52.876 53.050 -0.061 0.000 0.878 1160 N CB 0.663 39.122 38.487 -0.048 0.000 1.014 1160 N HN 0.216 nan 8.380 nan 0.000 0.512 1161 L N 1.285 122.424 121.223 -0.140 0.000 2.499 1161 L HA 0.032 4.380 4.340 0.012 0.000 0.273 1161 L C 1.190 178.007 176.870 -0.089 0.000 1.195 1161 L CA 0.081 54.841 54.840 -0.134 0.000 0.882 1161 L CB 0.723 42.633 42.059 -0.248 0.000 1.133 1161 L HN 0.204 nan 8.230 nan 0.000 0.483 1162 Q N 2.362 122.135 119.800 -0.045 0.000 2.388 1162 Q HA 0.168 4.515 4.340 0.012 0.000 0.204 1162 Q C 0.373 176.372 176.000 -0.002 0.000 0.946 1162 Q CA 0.612 56.400 55.803 -0.024 0.000 0.880 1162 Q CB 0.296 29.024 28.738 -0.017 0.000 0.997 1162 Q HN 0.513 nan 8.270 nan 0.000 0.552 1163 R N 0.927 121.436 120.500 0.016 0.000 2.522 1163 R HA 0.049 4.397 4.340 0.012 0.000 0.284 1163 R C 1.272 177.629 176.300 0.095 0.000 1.032 1163 R CA 0.140 56.271 56.100 0.053 0.000 1.049 1163 R CB 0.429 30.764 30.300 0.058 0.000 0.956 1163 R HN 0.079 nan 8.270 nan 0.000 0.422 1164 S N 2.684 118.455 115.700 0.119 0.000 2.399 1164 S HA -0.208 4.270 4.470 0.012 0.000 0.231 1164 S C 1.618 176.363 174.600 0.241 0.000 1.022 1164 S CA 1.079 59.379 58.200 0.167 0.000 0.983 1164 S CB -0.151 63.135 63.200 0.144 0.000 0.803 1164 S HN 0.665 nan 8.310 nan 0.000 0.480 1165 Y N 2.085 122.461 120.300 0.127 0.000 2.097 1165 Y HA -0.195 4.363 4.550 0.012 0.000 0.282 1165 Y C 2.553 178.525 175.900 0.120 0.000 1.152 1165 Y CA 2.467 60.655 58.100 0.146 0.000 1.136 1165 Y CB -0.918 37.609 38.460 0.113 0.000 0.975 1165 Y HN 0.278 nan 8.280 nan 0.000 0.498 1166 T N -0.312 114.423 114.554 0.302 0.000 2.746 1166 T HA -0.197 4.160 4.350 0.012 0.000 0.267 1166 T C 2.019 176.782 174.700 0.105 0.000 1.039 1166 T CA 1.675 63.895 62.100 0.201 0.000 1.142 1166 T CB -0.876 68.087 68.868 0.159 0.000 0.866 1166 T HN 0.230 nan 8.240 nan 0.000 0.444 1167 V N 1.756 121.717 119.914 0.078 0.000 2.380 1167 V HA -0.238 3.889 4.120 0.012 0.000 0.251 1167 V C 2.812 179.092 176.094 0.310 0.000 1.063 1167 V CA 1.789 64.148 62.300 0.098 0.000 1.055 1167 V CB -1.255 30.633 31.823 0.108 0.000 0.657 1167 V HN 0.573 nan 8.190 nan 0.000 0.455 1168 A N -0.033 122.874 122.820 0.147 0.000 1.840 1168 A HA -0.137 4.190 4.320 0.012 0.000 0.214 1168 A C 2.170 179.760 177.584 0.011 0.000 1.198 1168 A CA 1.757 53.810 52.037 0.027 0.000 0.608 1168 A CB -0.542 18.314 19.000 -0.240 0.000 0.839 1168 A HN 0.468 nan 8.150 nan 0.000 0.443 1169 I N -0.173 120.302 120.570 -0.159 0.000 2.127 1169 I HA -0.212 3.965 4.170 0.012 0.000 0.241 1169 I C 2.504 178.584 176.117 -0.062 0.000 1.075 1169 I CA 2.014 63.127 61.300 -0.313 0.000 1.334 1169 I CB -0.221 37.469 38.000 -0.516 0.000 1.040 1169 I HN 0.265 nan 8.210 nan 0.000 0.405 1170 A N 0.293 123.153 122.820 0.067 0.000 2.015 1170 A HA -0.014 4.313 4.320 0.012 0.000 0.219 1170 A C 2.334 179.994 177.584 0.128 0.000 1.163 1170 A CA 1.403 53.530 52.037 0.150 0.000 0.646 1170 A CB -1.663 17.504 19.000 0.278 0.000 0.806 1170 A HN 0.585 nan 8.150 nan 0.000 0.448 1171 G N -1.409 107.508 108.800 0.196 0.000 2.404 1171 G HA2 -0.261 3.706 3.960 0.012 0.000 0.215 1171 G HA3 -0.261 3.706 3.960 0.012 0.000 0.215 1171 G C 1.530 176.271 174.900 -0.265 0.000 1.174 1171 G CA 1.219 46.266 45.100 -0.089 0.000 0.780 1171 G HN 0.535 nan 8.290 nan 0.000 0.537 1172 Y N 2.222 122.361 120.300 -0.268 0.000 2.181 1172 Y HA -0.005 4.552 4.550 0.012 0.000 0.288 1172 Y C 2.853 178.657 175.900 -0.160 0.000 1.146 1172 Y CA 1.036 59.009 58.100 -0.210 0.000 1.164 1172 Y CB -0.661 37.766 38.460 -0.055 0.000 0.982 1172 Y HN 0.245 nan 8.280 nan 0.000 0.515 1173 A N 0.026 122.700 122.820 -0.244 0.000 1.933 1173 A HA -0.131 4.196 4.320 0.012 0.000 0.218 1173 A C 2.364 179.789 177.584 -0.265 0.000 1.175 1173 A CA 1.715 53.566 52.037 -0.310 0.000 0.628 1173 A CB -1.083 17.828 19.000 -0.148 0.000 0.814 1173 A HN 0.533 nan 8.150 nan 0.000 0.444 1174 L N -0.957 120.126 121.223 -0.235 0.000 2.156 1174 L HA -0.124 4.223 4.340 0.012 0.000 0.208 1174 L C 3.047 179.768 176.870 -0.250 0.000 1.095 1174 L CA 0.825 55.519 54.840 -0.245 0.000 0.770 1174 L CB -0.417 41.442 42.059 -0.333 0.000 0.914 1174 L HN 0.429 nan 8.230 nan 0.000 0.439 1175 A N -0.507 122.147 122.820 -0.277 0.000 1.902 1175 A HA -0.254 4.073 4.320 0.012 0.000 0.217 1175 A C 2.177 179.643 177.584 -0.197 0.000 1.181 1175 A CA 1.414 53.312 52.037 -0.232 0.000 0.623 1175 A CB -0.459 18.417 19.000 -0.207 0.000 0.818 1175 A HN 0.458 nan 8.150 nan 0.000 0.443 1176 Q N -1.197 118.439 119.800 -0.274 0.000 2.297 1176 Q HA -0.120 4.227 4.340 0.012 0.000 0.208 1176 Q C 1.751 177.652 176.000 -0.165 0.000 0.981 1176 Q CA 1.613 57.267 55.803 -0.248 0.000 0.876 1176 Q CB -0.232 28.283 28.738 -0.371 0.000 0.921 1176 Q HN 0.766 nan 8.270 nan 0.000 0.446 1177 M N -2.242 117.264 119.600 -0.156 0.000 2.414 1177 M HA 0.185 4.673 4.480 0.012 0.000 0.251 1177 M C 1.003 177.244 176.300 -0.099 0.000 1.116 1177 M CA 0.608 55.840 55.300 -0.113 0.000 1.056 1177 M CB 1.074 33.611 32.600 -0.105 0.000 1.388 1177 M HN 0.291 nan 8.290 nan 0.000 0.487 1178 G N 1.524 110.256 108.800 -0.113 0.000 2.143 1178 G HA2 -0.265 3.702 3.960 0.012 0.000 0.249 1178 G HA3 -0.265 3.702 3.960 0.012 0.000 0.249 1178 G C 0.753 175.591 174.900 -0.105 0.000 0.981 1178 G CA 0.134 45.176 45.100 -0.098 0.000 0.665 1178 G HN 0.472 nan 8.290 nan 0.000 0.528 1179 R N -0.994 119.429 120.500 -0.128 0.000 2.334 1179 R HA 0.331 4.678 4.340 0.012 0.000 0.220 1179 R C 0.680 176.875 176.300 -0.176 0.000 0.917 1179 R CA -0.163 55.859 56.100 -0.130 0.000 1.073 1179 R CB 0.283 30.511 30.300 -0.120 0.000 1.056 1179 R HN 0.327 nan 8.270 nan 0.000 0.506 1180 L N 2.287 123.387 121.223 -0.205 0.000 2.302 1180 L HA 0.215 4.562 4.340 0.012 0.000 0.285 1180 L C -0.763 176.014 176.870 -0.153 0.000 1.090 1180 L CA 0.292 54.984 54.840 -0.246 0.000 0.866 1180 L CB 0.044 41.905 42.059 -0.330 0.000 1.244 1180 L HN -0.061 nan 8.230 nan 0.000 0.435 1181 K N 2.593 122.926 120.400 -0.111 0.000 2.509 1181 K HA 0.814 5.141 4.320 0.012 0.000 0.266 1181 K C 0.489 177.074 176.600 -0.025 0.000 0.987 1181 K CA -0.666 55.587 56.287 -0.057 0.000 0.868 1181 K CB 1.361 33.832 32.500 -0.049 0.000 1.421 1181 K HN 0.471 nan 8.250 nan 0.000 0.444 1182 G N 1.771 110.570 108.800 -0.001 0.000 2.634 1182 G HA2 -0.313 3.654 3.960 0.012 0.000 0.318 1182 G HA3 -0.313 3.654 3.960 0.012 0.000 0.318 1182 G C -1.209 173.711 174.900 0.034 0.000 1.207 1182 G CA 0.571 45.681 45.100 0.016 0.000 0.987 1182 G HN 0.574 nan 8.290 nan 0.000 0.547 1183 P HA 0.068 nan 4.420 nan 0.000 0.219 1183 P C 2.287 179.644 177.300 0.095 0.000 1.150 1183 P CA 1.566 64.701 63.100 0.057 0.000 0.814 1183 P CB -0.081 31.647 31.700 0.047 0.000 0.787 1184 L N -0.866 120.406 121.223 0.083 0.000 2.056 1184 L HA -0.125 4.223 4.340 0.012 0.000 0.207 1184 L C 2.689 179.655 176.870 0.161 0.000 1.078 1184 L CA 1.175 56.091 54.840 0.127 0.000 0.749 1184 L CB -1.583 40.436 42.059 -0.067 0.000 0.901 1184 L HN -0.076 nan 8.230 nan 0.000 0.433 1185 L N -0.077 121.195 121.223 0.082 0.000 2.046 1185 L HA -0.220 4.127 4.340 0.012 0.000 0.208 1185 L C 2.254 179.245 176.870 0.202 0.000 1.077 1185 L CA 1.746 56.661 54.840 0.125 0.000 0.747 1185 L CB -0.789 41.305 42.059 0.058 0.000 0.896 1185 L HN 0.325 nan 8.230 nan 0.000 0.432 1186 N N -0.142 118.642 118.700 0.140 0.000 2.069 1186 N HA -0.283 4.464 4.740 0.012 0.000 0.191 1186 N C 1.913 177.504 175.510 0.134 0.000 1.031 1186 N CA 1.711 54.830 53.050 0.116 0.000 0.852 1186 N CB -0.200 38.336 38.487 0.082 0.000 1.018 1186 N HN 0.286 nan 8.380 nan 0.000 0.423 1187 K N -0.196 120.313 120.400 0.182 0.000 2.044 1187 K HA -0.150 4.177 4.320 0.012 0.000 0.210 1187 K C 1.922 178.676 176.600 0.257 0.000 1.049 1187 K CA 1.398 57.801 56.287 0.193 0.000 0.927 1187 K CB -0.943 31.701 32.500 0.240 0.000 0.713 1187 K HN 0.296 nan 8.250 nan 0.000 0.443 1188 F N 0.597 120.692 119.950 0.242 0.000 2.134 1188 F HA -0.067 4.467 4.527 0.012 0.000 0.299 1188 F C 1.529 177.520 175.800 0.318 0.000 1.097 1188 F CA 1.494 59.680 58.000 0.310 0.000 1.264 1188 F CB -0.104 39.032 39.000 0.226 0.000 1.001 1188 F HN 0.014 nan 8.300 nan 0.000 0.479 1189 L N -0.364 120.853 121.223 -0.010 0.000 2.209 1189 L HA -0.095 4.253 4.340 0.012 0.000 0.207 1189 L C 2.330 179.050 176.870 -0.249 0.000 1.094 1189 L CA 1.458 56.123 54.840 -0.291 0.000 0.790 1189 L CB -0.975 40.983 42.059 -0.167 0.000 0.932 1189 L HN 0.254 nan 8.230 nan 0.000 0.447 1190 T N -5.468 109.016 114.554 -0.115 0.000 3.088 1190 T HA -0.057 4.300 4.350 0.012 0.000 0.259 1190 T C 1.570 176.149 174.700 -0.201 0.000 1.122 1190 T CA 0.813 62.847 62.100 -0.109 0.000 1.095 1190 T CB -0.280 68.567 68.868 -0.035 0.000 0.930 1190 T HN 0.097 nan 8.240 nan 0.000 0.508 1191 T N 1.973 116.365 114.554 -0.270 0.000 3.118 1191 T HA 0.411 4.769 4.350 0.012 0.000 0.260 1191 T C 0.946 175.277 174.700 -0.615 0.000 1.139 1191 T CA 0.393 62.314 62.100 -0.299 0.000 1.085 1191 T CB -0.284 68.536 68.868 -0.080 0.000 0.934 1191 T HN 0.636 nan 8.240 nan 0.000 0.518 1192 A N 2.048 124.288 122.820 -0.966 0.000 2.309 1192 A HA 0.425 4.752 4.320 0.012 0.000 0.290 1192 A C 0.180 177.413 177.584 -0.585 0.000 1.206 1192 A CA -0.578 50.744 52.037 -1.191 0.000 0.850 1192 A CB 0.240 18.220 19.000 -1.700 0.000 1.118 1192 A HN 0.311 nan 8.150 nan 0.000 0.523 1193 K N 2.102 122.225 120.400 -0.462 0.000 2.326 1193 K HA 0.187 4.514 4.320 0.012 0.000 0.275 1193 K C -0.350 176.074 176.600 -0.293 0.000 1.018 1193 K CA -0.113 55.997 56.287 -0.295 0.000 0.962 1193 K CB 0.347 32.714 32.500 -0.221 0.000 0.953 1193 K HN 0.717 nan 8.250 nan 0.000 0.475 1194 D N 2.128 122.403 120.400 -0.208 0.000 3.059 1194 D HA -0.219 4.428 4.640 0.012 0.000 0.222 1194 D C -0.604 175.562 176.300 -0.223 0.000 1.185 1194 D CA 1.316 55.209 54.000 -0.178 0.000 0.904 1194 D CB -0.773 39.947 40.800 -0.133 0.000 1.122 1194 D HN 0.799 nan 8.370 nan 0.000 0.410 1195 K N -1.506 118.729 120.400 -0.274 0.000 3.069 1195 K HA -0.274 4.053 4.320 0.012 0.000 0.267 1195 K C 0.650 177.082 176.600 -0.279 0.000 1.082 1195 K CA 1.255 57.342 56.287 -0.335 0.000 0.782 1195 K CB -1.432 30.733 32.500 -0.558 0.000 1.230 1195 K HN 0.556 nan 8.250 nan 0.000 0.488 1196 N N -0.259 118.291 118.700 -0.250 0.000 2.008 1196 N HA -0.017 4.730 4.740 0.012 0.000 0.228 1196 N C -0.315 175.026 175.510 -0.282 0.000 1.375 1196 N CA -0.260 52.704 53.050 -0.143 0.000 0.856 1196 N CB 0.544 38.978 38.487 -0.087 0.000 1.096 1196 N HN 0.333 nan 8.380 nan 0.000 0.489 1197 R N -0.176 120.003 120.500 -0.535 0.000 2.594 1197 R HA 0.237 4.584 4.340 0.012 0.000 0.265 1197 R C -1.789 174.273 176.300 -0.396 0.000 1.070 1197 R CA -0.518 55.194 56.100 -0.646 0.000 0.909 1197 R CB 0.167 29.339 30.300 -1.879 0.000 1.243 1197 R HN 0.050 nan 8.270 nan 0.000 0.455 1198 W N 3.465 124.558 121.300 -0.345 0.000 2.317 1198 W HA 0.265 4.932 4.660 0.012 0.000 0.327 1198 W C 0.017 176.465 176.519 -0.118 0.000 1.036 1198 W CA -0.384 56.843 57.345 -0.197 0.000 1.419 1198 W CB 1.184 30.564 29.460 -0.133 0.000 1.253 1198 W HN 0.665 nan 8.180 nan 0.000 0.392 1199 E N 1.489 121.716 120.200 0.044 0.000 2.336 1199 E HA 0.508 4.865 4.350 0.012 0.000 0.267 1199 E C -1.240 175.425 176.600 0.108 0.000 0.906 1199 E CA -0.833 55.629 56.400 0.103 0.000 0.781 1199 E CB 2.535 32.276 29.700 0.067 0.000 1.261 1199 E HN 0.004 nan 8.360 nan 0.000 0.436 1200 D N 1.369 121.859 120.400 0.150 0.000 2.671 1200 D HA 0.314 4.961 4.640 0.012 0.000 0.232 1200 D C -2.477 173.882 176.300 0.099 0.000 1.114 1200 D CA -1.730 52.338 54.000 0.112 0.000 0.858 1200 D CB 2.026 42.901 40.800 0.125 0.000 1.544 1200 D HN 0.305 nan 8.370 nan 0.000 0.471 1201 P HA 0.093 nan 4.420 nan 0.000 0.261 1201 P C 0.850 178.182 177.300 0.055 0.000 1.203 1201 P CA 0.514 63.643 63.100 0.049 0.000 0.767 1201 P CB 0.555 32.270 31.700 0.026 0.000 0.785 1202 G N 3.973 112.811 108.800 0.064 0.000 2.383 1202 G HA2 -0.238 3.730 3.960 0.012 0.000 0.229 1202 G HA3 -0.238 3.730 3.960 0.012 0.000 0.229 1202 G C 0.378 175.343 174.900 0.108 0.000 1.089 1202 G CA -0.294 44.844 45.100 0.063 0.000 0.640 1202 G HN 0.518 nan 8.290 nan 0.000 0.510 1203 K N 2.084 122.574 120.400 0.149 0.000 2.449 1203 K HA 0.246 4.573 4.320 0.012 0.000 0.237 1203 K C 1.592 178.382 176.600 0.316 0.000 1.265 1203 K CA 0.089 56.544 56.287 0.281 0.000 1.193 1203 K CB 0.559 33.193 32.500 0.223 0.000 1.515 1203 K HN 0.502 nan 8.250 nan 0.000 0.259 1204 Q N 0.618 120.547 119.800 0.214 0.000 1.990 1204 Q HA -0.046 4.301 4.340 0.012 0.000 0.200 1204 Q C 1.920 178.058 176.000 0.230 0.000 0.980 1204 Q CA 1.202 57.120 55.803 0.193 0.000 0.832 1204 Q CB -0.125 28.663 28.738 0.083 0.000 0.897 1204 Q HN 0.478 nan 8.270 nan 0.000 0.427 1205 L N -0.004 121.288 121.223 0.116 0.000 2.362 1205 L HA -0.161 4.186 4.340 0.012 0.000 0.219 1205 L C 2.011 178.910 176.870 0.049 0.000 1.134 1205 L CA 0.731 55.611 54.840 0.065 0.000 0.807 1205 L CB -0.287 41.730 42.059 -0.072 0.000 0.927 1205 L HN 0.228 nan 8.230 nan 0.000 0.447 1206 Y N -0.655 119.786 120.300 0.235 0.000 2.395 1206 Y HA -0.102 4.455 4.550 0.012 0.000 0.293 1206 Y C 2.421 178.592 175.900 0.453 0.000 1.123 1206 Y CA 0.611 58.912 58.100 0.336 0.000 1.227 1206 Y CB -0.382 38.186 38.460 0.180 0.000 1.012 1206 Y HN 0.239 nan 8.280 nan 0.000 0.552 1207 N N -0.142 118.868 118.700 0.517 0.000 2.188 1207 N HA -0.127 4.620 4.740 0.012 0.000 0.184 1207 N C 1.970 177.797 175.510 0.529 0.000 1.018 1207 N CA 1.439 54.785 53.050 0.494 0.000 0.858 1207 N CB -0.674 38.106 38.487 0.488 0.000 0.989 1207 N HN 0.188 nan 8.380 nan 0.000 0.426 1208 V N 1.314 121.523 119.914 0.492 0.000 2.392 1208 V HA -0.197 3.931 4.120 0.012 0.000 0.249 1208 V C 2.270 178.519 176.094 0.259 0.000 1.059 1208 V CA 1.576 64.109 62.300 0.387 0.000 1.051 1208 V CB -0.540 31.430 31.823 0.244 0.000 0.658 1208 V HN 0.311 nan 8.190 nan 0.000 0.455 1209 E N 0.150 120.527 120.200 0.294 0.000 2.028 1209 E HA -0.176 4.181 4.350 0.012 0.000 0.191 1209 E C 2.364 179.125 176.600 0.269 0.000 0.988 1209 E CA 1.268 57.841 56.400 0.289 0.000 0.799 1209 E CB -0.251 29.773 29.700 0.541 0.000 0.755 1209 E HN 0.564 nan 8.360 nan 0.000 0.447 1210 A N 0.459 123.437 122.820 0.264 0.000 1.858 1210 A HA -0.198 4.129 4.320 0.012 0.000 0.216 1210 A C 2.393 180.006 177.584 0.048 0.000 1.190 1210 A CA 2.232 54.285 52.037 0.027 0.000 0.617 1210 A CB -1.142 17.883 19.000 0.042 0.000 0.827 1210 A HN 0.294 nan 8.150 nan 0.000 0.443 1211 T N 0.439 115.083 114.554 0.151 0.000 2.699 1211 T HA -0.164 4.193 4.350 0.012 0.000 0.268 1211 T C 2.221 176.923 174.700 0.003 0.000 1.036 1211 T CA 1.822 63.997 62.100 0.124 0.000 1.147 1211 T CB -0.430 68.623 68.868 0.308 0.000 0.862 1211 T HN 0.500 nan 8.240 nan 0.000 0.446 1212 S N 0.431 116.138 115.700 0.011 0.000 2.356 1212 S HA -0.103 4.374 4.470 0.012 0.000 0.223 1212 S C 1.802 176.249 174.600 -0.255 0.000 1.032 1212 S CA 1.139 59.264 58.200 -0.126 0.000 1.005 1212 S CB -0.586 62.497 63.200 -0.195 0.000 0.867 1212 S HN 0.512 nan 8.310 nan 0.000 0.449 1213 Y N 1.820 121.991 120.300 -0.214 0.000 2.165 1213 Y HA -0.177 4.380 4.550 0.012 0.000 0.286 1213 Y C 2.688 178.355 175.900 -0.389 0.000 1.155 1213 Y CA 0.703 58.604 58.100 -0.332 0.000 1.164 1213 Y CB -0.923 37.422 38.460 -0.192 0.000 0.978 1213 Y HN 0.279 nan 8.280 nan 0.000 0.513 1214 A N -0.527 122.135 122.820 -0.264 0.000 1.933 1214 A HA -0.161 4.166 4.320 0.012 0.000 0.218 1214 A C 2.197 179.606 177.584 -0.291 0.000 1.175 1214 A CA 1.554 53.302 52.037 -0.483 0.000 0.628 1214 A CB -0.995 16.980 19.000 -1.708 0.000 0.814 1214 A HN 0.428 nan 8.150 nan 0.000 0.444 1215 L N -0.268 120.815 121.223 -0.234 0.000 2.027 1215 L HA -0.077 4.270 4.340 0.012 0.000 0.206 1215 L C 2.267 179.054 176.870 -0.138 0.000 1.074 1215 L CA 1.674 56.452 54.840 -0.104 0.000 0.745 1215 L CB -0.549 41.477 42.059 -0.054 0.000 0.898 1215 L HN 0.384 nan 8.230 nan 0.000 0.433 1216 L N -0.479 120.566 121.223 -0.298 0.000 2.079 1216 L HA -0.239 4.108 4.340 0.012 0.000 0.210 1216 L C 2.665 179.371 176.870 -0.275 0.000 1.081 1216 L CA 1.317 55.883 54.840 -0.456 0.000 0.752 1216 L CB -0.914 40.488 42.059 -1.095 0.000 0.896 1216 L HN 0.422 nan 8.230 nan 0.000 0.433 1217 A N -0.125 122.570 122.820 -0.209 0.000 1.877 1217 A HA -0.170 4.157 4.320 0.012 0.000 0.216 1217 A C 2.254 179.769 177.584 -0.114 0.000 1.186 1217 A CA 1.418 53.420 52.037 -0.059 0.000 0.620 1217 A CB -0.685 18.095 19.000 -0.366 0.000 0.822 1217 A HN 0.344 nan 8.150 nan 0.000 0.443 1218 L N -0.709 120.482 121.223 -0.054 0.000 2.046 1218 L HA -0.179 4.168 4.340 0.012 0.000 0.208 1218 L C 2.578 179.369 176.870 -0.132 0.000 1.077 1218 L CA 1.103 55.929 54.840 -0.023 0.000 0.747 1218 L CB -0.438 41.665 42.059 0.074 0.000 0.896 1218 L HN 0.386 nan 8.230 nan 0.000 0.432 1219 L N -0.860 120.306 121.223 -0.095 0.000 2.083 1219 L HA -0.240 4.107 4.340 0.012 0.000 0.209 1219 L C 2.630 179.456 176.870 -0.074 0.000 1.083 1219 L CA 0.898 55.676 54.840 -0.103 0.000 0.752 1219 L CB -0.387 41.700 42.059 0.047 0.000 0.899 1219 L HN 0.290 nan 8.230 nan 0.000 0.433 1220 Q N 0.482 120.274 119.800 -0.014 0.000 2.170 1220 Q HA -0.153 4.194 4.340 0.012 0.000 0.203 1220 Q C 1.875 177.844 176.000 -0.051 0.000 0.976 1220 Q CA 1.607 57.417 55.803 0.012 0.000 0.858 1220 Q CB -0.153 28.631 28.738 0.076 0.000 0.907 1220 Q HN 0.508 nan 8.270 nan 0.000 0.433 1221 L N -0.081 121.081 121.223 -0.102 0.000 2.592 1221 L HA 0.139 4.486 4.340 0.012 0.000 0.227 1221 L C 0.209 177.001 176.870 -0.129 0.000 1.127 1221 L CA 0.031 54.808 54.840 -0.105 0.000 0.884 1221 L CB -0.029 41.967 42.059 -0.106 0.000 1.065 1221 L HN 0.098 nan 8.230 nan 0.000 0.457 1222 K N 0.740 120.996 120.400 -0.240 0.000 3.035 1222 K HA -0.236 4.092 4.320 0.012 0.000 0.262 1222 K C -0.113 176.191 176.600 -0.492 0.000 1.024 1222 K CA 0.837 56.873 56.287 -0.417 0.000 0.748 1222 K CB -1.364 31.170 32.500 0.058 0.000 1.247 1222 K HN 0.277 nan 8.250 nan 0.000 0.482 1223 D N 0.284 120.399 120.400 -0.475 0.000 2.557 1223 D HA 0.169 4.817 4.640 0.012 0.000 0.236 1223 D C 0.124 176.349 176.300 -0.126 0.000 1.154 1223 D CA -0.534 53.367 54.000 -0.165 0.000 0.985 1223 D CB -0.284 40.508 40.800 -0.013 0.000 1.010 1223 D HN 0.124 nan 8.370 nan 0.000 0.516 1224 F N 0.998 121.047 119.950 0.166 0.000 2.697 1224 F HA 0.190 4.725 4.527 0.012 0.000 0.297 1224 F C 1.200 177.106 175.800 0.177 0.000 1.203 1224 F CA -0.182 57.929 58.000 0.185 0.000 1.421 1224 F CB 0.339 39.432 39.000 0.155 0.000 1.033 1224 F HN 0.175 nan 8.300 nan 0.000 0.512 1225 D N -0.948 119.624 120.400 0.286 0.000 2.463 1225 D HA -0.001 4.646 4.640 0.012 0.000 0.237 1225 D C 1.753 178.162 176.300 0.182 0.000 1.013 1225 D CA 0.617 54.746 54.000 0.215 0.000 0.910 1225 D CB -0.216 40.690 40.800 0.176 0.000 1.080 1225 D HN 0.132 nan 8.370 nan 0.000 0.498 1226 F N 0.878 120.893 119.950 0.109 0.000 2.407 1226 F HA -0.090 4.445 4.527 0.012 0.000 0.299 1226 F C 1.954 177.819 175.800 0.108 0.000 1.097 1226 F CA 0.593 58.653 58.000 0.100 0.000 1.422 1226 F CB 0.176 39.252 39.000 0.127 0.000 1.067 1226 F HN -0.191 nan 8.300 nan 0.000 0.539 1227 V N 0.975 121.071 119.914 0.304 0.000 2.270 1227 V HA -0.201 3.926 4.120 0.012 0.000 0.245 1227 V C -0.239 175.904 176.094 0.082 0.000 1.043 1227 V CA 1.801 64.227 62.300 0.211 0.000 1.014 1227 V CB -1.875 30.098 31.823 0.250 0.000 0.645 1227 V HN 0.139 nan 8.190 nan 0.000 0.447 1228 P HA -0.174 nan 4.420 nan 0.000 0.217 1228 P C -1.342 175.968 177.300 0.016 0.000 1.162 1228 P CA 2.350 65.470 63.100 0.034 0.000 0.901 1228 P CB -1.450 30.299 31.700 0.083 0.000 0.793 1229 P HA -0.067 nan 4.420 nan 0.000 0.220 1229 P C 1.539 178.902 177.300 0.105 0.000 1.148 1229 P CA 0.918 64.040 63.100 0.036 0.000 0.803 1229 P CB -0.382 31.292 31.700 -0.043 0.000 0.782 1230 V N -0.678 119.314 119.914 0.130 0.000 2.323 1230 V HA -0.150 3.977 4.120 0.012 0.000 0.244 1230 V C 2.452 178.661 176.094 0.192 0.000 1.041 1230 V CA 1.451 63.881 62.300 0.216 0.000 1.025 1230 V CB -1.083 30.913 31.823 0.288 0.000 0.656 1230 V HN -0.048 nan 8.190 nan 0.000 0.451 1231 V N -0.168 119.760 119.914 0.023 0.000 2.343 1231 V HA -0.278 3.850 4.120 0.012 0.000 0.247 1231 V C 2.619 178.729 176.094 0.027 0.000 1.051 1231 V CA 2.137 64.393 62.300 -0.074 0.000 1.036 1231 V CB -0.725 30.841 31.823 -0.429 0.000 0.654 1231 V HN 0.446 nan 8.190 nan 0.000 0.451 1232 R N -1.715 118.819 120.500 0.056 0.000 2.091 1232 R HA -0.247 4.100 4.340 0.012 0.000 0.238 1232 R C 2.115 178.496 176.300 0.134 0.000 1.136 1232 R CA 2.382 58.531 56.100 0.082 0.000 0.959 1232 R CB -0.371 29.978 30.300 0.082 0.000 0.856 1232 R HN 0.689 nan 8.270 nan 0.000 0.437 1233 W N 0.947 122.262 121.300 0.024 0.000 2.378 1233 W HA -0.132 4.535 4.660 0.012 0.000 0.313 1233 W C 1.655 178.216 176.519 0.070 0.000 1.197 1233 W CA 1.203 58.578 57.345 0.050 0.000 1.304 1233 W CB -0.385 29.119 29.460 0.072 0.000 1.148 1233 W HN -0.020 nan 8.180 nan 0.000 0.494 1234 L N 1.013 122.455 121.223 0.365 0.000 2.127 1234 L HA -0.297 4.050 4.340 0.012 0.000 0.211 1234 L C 2.268 179.180 176.870 0.069 0.000 1.089 1234 L CA 1.715 56.667 54.840 0.187 0.000 0.757 1234 L CB -1.003 41.196 42.059 0.234 0.000 0.899 1234 L HN 0.128 nan 8.230 nan 0.000 0.434 1235 N N 0.449 119.174 118.700 0.042 0.000 2.289 1235 N HA -0.198 4.549 4.740 0.012 0.000 0.184 1235 N C 1.287 176.727 175.510 -0.117 0.000 1.016 1235 N CA 1.309 54.366 53.050 0.012 0.000 0.872 1235 N CB 0.119 38.607 38.487 0.001 0.000 0.973 1235 N HN 0.417 nan 8.380 nan 0.000 0.433 1236 E N -0.966 119.098 120.200 -0.227 0.000 2.501 1236 E HA 0.106 4.464 4.350 0.012 0.000 0.201 1236 E C -0.173 176.090 176.600 -0.562 0.000 1.016 1236 E CA -0.087 56.109 56.400 -0.340 0.000 0.920 1236 E CB 0.367 29.913 29.700 -0.257 0.000 1.023 1236 E HN 0.293 nan 8.360 nan 0.000 0.474 1237 Q N 1.354 120.788 119.800 -0.610 0.000 2.894 1237 Q HA 0.164 4.511 4.340 0.012 0.000 0.358 1237 Q C -0.407 174.900 176.000 -1.155 0.000 1.155 1237 Q CA 0.168 55.463 55.803 -0.846 0.000 0.960 1237 Q CB -0.260 28.194 28.738 -0.473 0.000 1.428 1237 Q HN 0.178 nan 8.270 nan 0.000 0.437 1238 R N 0.724 120.432 120.500 -1.320 0.000 2.363 1238 R HA 0.294 4.641 4.340 0.012 0.000 0.297 1238 R C -0.288 175.481 176.300 -0.884 0.000 1.208 1238 R CA -0.246 55.206 56.100 -1.079 0.000 1.121 1238 R CB 0.437 30.180 30.300 -0.927 0.000 1.124 1238 R HN 0.249 nan 8.270 nan 0.000 0.561 1239 Y N -0.029 119.984 120.300 -0.479 0.000 2.467 1239 Y HA 0.206 4.763 4.550 0.012 0.000 0.250 1239 Y C -0.123 175.309 175.900 -0.781 0.000 1.155 1239 Y CA -0.437 57.271 58.100 -0.654 0.000 1.249 1239 Y CB 0.516 38.490 38.460 -0.809 0.000 1.146 1239 Y HN 0.367 nan 8.280 nan 0.000 0.524 1240 Y N 0.627 120.904 120.300 -0.037 0.000 2.646 1240 Y HA 0.565 5.122 4.550 0.012 0.000 0.334 1240 Y C 0.892 176.743 175.900 -0.082 0.000 1.004 1240 Y CA -0.952 57.128 58.100 -0.033 0.000 1.301 1240 Y CB 0.863 39.318 38.460 -0.007 0.000 1.093 1240 Y HN 0.233 nan 8.280 nan 0.000 0.530 1241 G N 1.098 109.905 108.800 0.010 0.000 2.692 1241 G HA2 -0.226 3.741 3.960 0.012 0.000 0.248 1241 G HA3 -0.226 3.741 3.960 0.012 0.000 0.248 1241 G C 0.878 175.696 174.900 -0.137 0.000 1.340 1241 G CA -0.356 44.708 45.100 -0.060 0.000 0.896 1241 G HN 1.117 nan 8.290 nan 0.000 0.570 1242 G N 0.164 108.871 108.800 -0.155 0.000 3.352 1242 G HA2 0.598 4.566 3.960 0.012 0.000 0.236 1242 G HA3 0.598 4.566 3.960 0.012 0.000 0.236 1242 G C 0.617 175.351 174.900 -0.277 0.000 1.324 1242 G CA 1.154 46.126 45.100 -0.213 0.000 1.404 1242 G HN 1.721 nan 8.290 nan 0.000 0.542 1243 G N -0.837 107.794 108.800 -0.281 0.000 2.659 1243 G HA2 0.512 4.479 3.960 0.012 0.000 0.296 1243 G HA3 0.512 4.479 3.960 0.012 0.000 0.296 1243 G C -1.006 173.713 174.900 -0.302 0.000 1.369 1243 G CA -1.008 43.920 45.100 -0.287 0.000 0.937 1243 G HN 0.106 nan 8.290 nan 0.000 0.485 1244 Y N 0.411 120.674 120.300 -0.061 0.000 2.497 1244 Y HA 0.350 4.908 4.550 0.012 0.000 0.334 1244 Y C 1.675 177.607 175.900 0.053 0.000 1.199 1244 Y CA 0.754 58.857 58.100 0.005 0.000 1.425 1244 Y CB 1.140 39.573 38.460 -0.044 0.000 1.291 1244 Y HN 0.570 nan 8.280 nan 0.000 0.562 1245 G N 0.677 109.633 108.800 0.261 0.000 2.439 1245 G HA2 -0.065 3.902 3.960 0.012 0.000 0.212 1245 G HA3 -0.065 3.902 3.960 0.012 0.000 0.212 1245 G C 0.702 175.539 174.900 -0.106 0.000 1.199 1245 G CA 0.567 45.663 45.100 -0.005 0.000 0.807 1245 G HN 0.595 nan 8.290 nan 0.000 0.537 1246 S N -0.463 115.162 115.700 -0.124 0.000 2.707 1246 S HA 0.358 4.835 4.470 0.012 0.000 0.276 1246 S C 1.931 176.366 174.600 -0.274 0.000 1.179 1246 S CA 0.697 58.792 58.200 -0.175 0.000 0.992 1246 S CB 1.254 64.348 63.200 -0.176 0.000 1.030 1246 S HN 0.408 nan 8.310 nan 0.000 0.554 1247 T N 0.539 114.895 114.554 -0.331 0.000 2.639 1247 T HA -0.112 4.245 4.350 0.012 0.000 0.261 1247 T C 1.760 175.941 174.700 -0.865 0.000 1.053 1247 T CA 0.991 62.654 62.100 -0.729 0.000 1.158 1247 T CB -0.838 67.879 68.868 -0.251 0.000 0.863 1247 T HN 0.584 nan 8.240 nan 0.000 0.413 1248 Q N 1.324 120.936 119.800 -0.314 0.000 2.135 1248 Q HA -0.002 4.345 4.340 0.012 0.000 0.204 1248 Q C 2.749 178.699 176.000 -0.083 0.000 0.981 1248 Q CA 1.849 57.590 55.803 -0.103 0.000 0.856 1248 Q CB -0.980 27.792 28.738 0.056 0.000 0.902 1248 Q HN 0.727 nan 8.270 nan 0.000 0.425 1249 A N 0.142 122.890 122.820 -0.119 0.000 1.858 1249 A HA -0.171 4.157 4.320 0.012 0.000 0.216 1249 A C 2.378 179.854 177.584 -0.180 0.000 1.190 1249 A CA 2.115 54.102 52.037 -0.084 0.000 0.617 1249 A CB -0.921 18.063 19.000 -0.027 0.000 0.827 1249 A HN 0.394 nan 8.150 nan 0.000 0.443 1250 T N -0.043 114.358 114.554 -0.254 0.000 2.701 1250 T HA -0.089 4.268 4.350 0.012 0.000 0.263 1250 T C 1.508 176.212 174.700 0.007 0.000 1.040 1250 T CA 1.671 63.656 62.100 -0.191 0.000 1.147 1250 T CB -0.468 68.307 68.868 -0.156 0.000 0.865 1250 T HN 0.395 nan 8.240 nan 0.000 0.426 1251 F N 0.554 120.567 119.950 0.105 0.000 2.333 1251 F HA 0.151 4.685 4.527 0.012 0.000 0.300 1251 F C 2.150 177.994 175.800 0.072 0.000 1.083 1251 F CA -0.007 58.099 58.000 0.176 0.000 1.395 1251 F CB -1.018 38.101 39.000 0.199 0.000 1.056 1251 F HN 0.102 nan 8.300 nan 0.000 0.529 1252 M N 0.123 119.786 119.600 0.105 0.000 2.160 1252 M HA -0.062 4.425 4.480 0.012 0.000 0.264 1252 M C 2.148 178.369 176.300 -0.130 0.000 1.073 1252 M CA 1.391 56.647 55.300 -0.072 0.000 1.142 1252 M CB -0.598 31.912 32.600 -0.151 0.000 1.358 1252 M HN -0.049 nan 8.290 nan 0.000 0.422 1253 V N -0.523 119.284 119.914 -0.178 0.000 2.358 1253 V HA -0.218 3.909 4.120 0.012 0.000 0.246 1253 V C 2.264 178.323 176.094 -0.059 0.000 1.047 1253 V CA 1.411 63.568 62.300 -0.238 0.000 1.035 1253 V CB -1.366 30.064 31.823 -0.654 0.000 0.658 1253 V HN 0.382 nan 8.190 nan 0.000 0.452 1254 F N 1.476 121.321 119.950 -0.175 0.000 2.043 1254 F HA -0.284 4.251 4.527 0.012 0.000 0.297 1254 F C 2.644 178.399 175.800 -0.075 0.000 1.118 1254 F CA 2.326 60.280 58.000 -0.077 0.000 1.202 1254 F CB -0.959 38.061 39.000 0.033 0.000 0.965 1254 F HN 0.228 nan 8.300 nan 0.000 0.482 1255 Q N -0.226 119.570 119.800 -0.006 0.000 2.061 1255 Q HA -0.188 4.159 4.340 0.012 0.000 0.204 1255 Q C 2.224 178.171 176.000 -0.087 0.000 0.984 1255 Q CA 1.926 57.650 55.803 -0.132 0.000 0.846 1255 Q CB -0.333 28.349 28.738 -0.093 0.000 0.902 1255 Q HN 0.457 nan 8.270 nan 0.000 0.421 1256 A N 0.472 123.243 122.820 -0.081 0.000 1.897 1256 A HA -0.082 4.245 4.320 0.012 0.000 0.215 1256 A C 2.056 179.654 177.584 0.024 0.000 1.181 1256 A CA 0.810 52.805 52.037 -0.070 0.000 0.620 1256 A CB -0.560 18.361 19.000 -0.131 0.000 0.821 1256 A HN 0.422 nan 8.150 nan 0.000 0.443 1257 L N -0.697 120.548 121.223 0.036 0.000 2.056 1257 L HA -0.173 4.174 4.340 0.012 0.000 0.207 1257 L C 3.059 179.991 176.870 0.103 0.000 1.078 1257 L CA 1.046 55.944 54.840 0.095 0.000 0.749 1257 L CB -0.405 41.700 42.059 0.077 0.000 0.901 1257 L HN 0.435 nan 8.230 nan 0.000 0.433 1258 A N -0.787 122.031 122.820 -0.004 0.000 1.969 1258 A HA -0.255 4.072 4.320 0.012 0.000 0.218 1258 A C 2.178 179.788 177.584 0.044 0.000 1.169 1258 A CA 1.589 53.548 52.037 -0.130 0.000 0.635 1258 A CB -0.405 18.414 19.000 -0.301 0.000 0.810 1258 A HN 0.378 nan 8.150 nan 0.000 0.445 1259 Q N -1.751 118.083 119.800 0.057 0.000 2.230 1259 Q HA -0.135 4.212 4.340 0.012 0.000 0.202 1259 Q C 1.672 177.769 176.000 0.161 0.000 0.963 1259 Q CA 1.573 57.431 55.803 0.090 0.000 0.866 1259 Q CB -0.560 28.206 28.738 0.047 0.000 0.931 1259 Q HN 0.746 nan 8.270 nan 0.000 0.452 1260 Y N 0.291 120.633 120.300 0.069 0.000 2.224 1260 Y HA -0.190 4.367 4.550 0.012 0.000 0.289 1260 Y C 1.847 177.821 175.900 0.122 0.000 1.146 1260 Y CA 1.753 59.922 58.100 0.115 0.000 1.182 1260 Y CB 0.056 38.578 38.460 0.102 0.000 0.983 1260 Y HN 0.146 nan 8.280 nan 0.000 0.524 1261 Q N 0.283 120.094 119.800 0.019 0.000 2.119 1261 Q HA -0.167 4.180 4.340 0.012 0.000 0.201 1261 Q C 2.015 178.012 176.000 -0.005 0.000 0.972 1261 Q CA 1.676 57.471 55.803 -0.013 0.000 0.847 1261 Q CB -0.148 28.737 28.738 0.245 0.000 0.903 1261 Q HN 0.499 nan 8.270 nan 0.000 0.433 1262 K N 0.142 120.580 120.400 0.064 0.000 2.305 1262 K HA -0.047 4.281 4.320 0.012 0.000 0.199 1262 K C 0.749 177.353 176.600 0.008 0.000 1.047 1262 K CA 0.757 57.067 56.287 0.039 0.000 0.976 1262 K CB 0.401 32.945 32.500 0.074 0.000 0.765 1262 K HN 0.029 nan 8.250 nan 0.000 0.474 1263 D N -0.697 119.719 120.400 0.026 0.000 2.395 1263 D HA 0.179 4.827 4.640 0.012 0.000 0.213 1263 D C 0.323 176.615 176.300 -0.013 0.000 1.110 1263 D CA 0.130 54.182 54.000 0.087 0.000 0.835 1263 D CB 1.014 41.953 40.800 0.230 0.000 0.965 1263 D HN 0.163 nan 8.370 nan 0.000 0.505 1264 A N 0.455 123.153 122.820 -0.203 0.000 2.446 1264 A HA 0.522 4.849 4.320 0.012 0.000 0.199 1264 A C -1.917 175.489 177.584 -0.297 0.000 1.677 1264 A CA -0.364 51.435 52.037 -0.397 0.000 1.600 1264 A CB -0.698 18.002 19.000 -0.500 0.000 1.583 1264 A HN -0.067 nan 8.150 nan 0.000 0.551 1265 P HA -0.109 nan 4.420 nan 0.000 0.044 1265 P C -1.537 175.687 177.300 -0.126 0.000 0.733 1265 P CA 1.260 64.251 63.100 -0.182 0.000 1.035 1265 P CB -0.693 30.918 31.700 -0.149 0.000 1.855 1266 D N 1.067 121.401 120.400 -0.111 0.000 2.391 1266 D HA 0.101 4.749 4.640 0.012 0.000 0.245 1266 D C 0.316 176.612 176.300 -0.007 0.000 1.069 1266 D CA -0.409 53.559 54.000 -0.054 0.000 0.831 1266 D CB 0.850 41.609 40.800 -0.069 0.000 1.204 1266 D HN 0.392 nan 8.370 nan 0.000 0.503 1267 H N 1.651 120.694 119.070 -0.045 0.000 2.970 1267 H HA 0.093 4.656 4.556 0.012 0.000 0.226 1267 H C -0.085 175.229 175.328 -0.024 0.000 1.909 1267 H CA 0.109 56.140 56.048 -0.029 0.000 1.388 1267 H CB 0.327 30.075 29.762 -0.025 0.000 1.773 1267 H HN 0.250 nan 8.280 nan 0.000 0.559 1268 Q N 0.542 120.408 119.800 0.109 0.000 2.486 1268 Q HA 0.204 4.551 4.340 0.012 0.000 0.274 1268 Q C 0.169 176.199 176.000 0.049 0.000 1.076 1268 Q CA -0.536 55.304 55.803 0.062 0.000 0.872 1268 Q CB 1.315 30.063 28.738 0.017 0.000 1.383 1268 Q HN 0.770 nan 8.270 nan 0.000 0.478 1269 E N -0.143 120.074 120.200 0.029 0.000 2.722 1269 E HA 0.180 4.537 4.350 0.012 0.000 0.179 1269 E C -0.768 175.839 176.600 0.012 0.000 0.918 1269 E CA -0.049 56.364 56.400 0.020 0.000 1.334 1269 E CB 0.609 30.321 29.700 0.019 0.000 1.064 1269 E HN 0.279 nan 8.360 nan 0.000 0.513 1270 L N 1.995 123.224 121.223 0.009 0.000 2.745 1270 L HA 0.482 4.830 4.340 0.012 0.000 0.296 1270 L C -1.611 175.259 176.870 0.000 0.000 1.362 1270 L CA -0.181 54.662 54.840 0.005 0.000 0.724 1270 L CB 0.854 42.915 42.059 0.002 0.000 1.069 1270 L HN 0.257 nan 8.230 nan 0.000 0.535 1271 N N 1.109 119.810 118.700 0.001 0.000 2.455 1271 N HA 0.414 5.162 4.740 0.012 0.000 0.285 1271 N C -1.866 173.650 175.510 0.010 0.000 1.080 1271 N CA -0.454 52.591 53.050 -0.009 0.000 0.932 1271 N CB 1.716 40.184 38.487 -0.031 0.000 1.610 1271 N HN 0.023 nan 8.380 nan 0.000 0.493 1272 L N 1.992 123.230 121.223 0.025 0.000 2.358 1272 L HA 0.560 4.908 4.340 0.012 0.000 0.268 1272 L C 0.625 177.540 176.870 0.073 0.000 1.032 1272 L CA -0.160 54.707 54.840 0.046 0.000 0.805 1272 L CB 1.560 43.647 42.059 0.047 0.000 1.253 1272 L HN 0.769 nan 8.230 nan 0.000 0.452 1273 D N -0.068 120.375 120.400 0.072 0.000 3.106 1273 D HA 0.203 4.851 4.640 0.012 0.000 0.216 1273 D C -0.379 175.971 176.300 0.082 0.000 1.540 1273 D CA 0.039 54.091 54.000 0.086 0.000 1.389 1273 D CB 0.913 41.756 40.800 0.071 0.000 1.080 1273 D HN 0.196 nan 8.370 nan 0.000 0.270 1274 V N 0.813 120.765 119.914 0.063 0.000 3.447 1274 V HA -0.096 4.031 4.120 0.012 0.000 0.494 1274 V C -0.819 175.307 176.094 0.053 0.000 0.682 1274 V CA 0.116 62.451 62.300 0.057 0.000 2.042 1274 V CB -0.404 31.457 31.823 0.063 0.000 2.480 1274 V HN 0.552 nan 8.190 nan 0.000 0.505 1275 S N 5.275 121.002 115.700 0.045 0.000 2.626 1275 S HA 0.758 5.235 4.470 0.012 0.000 0.275 1275 S C -1.151 173.469 174.600 0.034 0.000 1.175 1275 S CA -0.684 57.538 58.200 0.036 0.000 0.982 1275 S CB 0.975 64.198 63.200 0.038 0.000 1.093 1275 S HN 0.813 nan 8.310 nan 0.000 0.472 1276 L N 4.620 125.857 121.223 0.023 0.000 2.316 1276 L HA 0.583 4.930 4.340 0.012 0.000 0.280 1276 L C 0.149 177.025 176.870 0.010 0.000 1.006 1276 L CA -0.588 54.265 54.840 0.022 0.000 0.836 1276 L CB 1.639 43.712 42.059 0.022 0.000 1.221 1276 L HN 0.611 nan 8.230 nan 0.000 0.418 1277 Q N 5.427 125.236 119.800 0.015 0.000 2.259 1277 Q HA 0.825 5.172 4.340 0.012 0.000 0.246 1277 Q C -1.030 174.972 176.000 0.004 0.000 0.920 1277 Q CA -0.479 55.328 55.803 0.006 0.000 0.895 1277 Q CB 1.725 30.470 28.738 0.011 0.000 1.220 1277 Q HN 0.708 nan 8.270 nan 0.000 0.439 1278 L N -0.001 121.220 121.223 -0.004 0.000 3.170 1278 L HA 0.502 4.849 4.340 0.012 0.000 0.286 1278 L C -2.581 174.283 176.870 -0.010 0.000 1.006 1278 L CA -1.607 53.231 54.840 -0.004 0.000 0.993 1278 L CB 1.205 43.263 42.059 -0.002 0.000 1.549 1278 L HN 0.465 nan 8.230 nan 0.000 0.387 1279 P HA 0.171 nan 4.420 nan 0.000 0.225 1279 P C -0.399 176.889 177.300 -0.019 0.000 1.768 1279 P CA 0.133 63.225 63.100 -0.013 0.000 0.943 1279 P CB -0.056 31.638 31.700 -0.010 0.000 1.936 1280 S N -0.130 115.556 115.700 -0.024 0.000 2.894 1280 S HA 0.744 5.221 4.470 0.012 0.000 0.298 1280 S C 0.211 174.782 174.600 -0.047 0.000 1.054 1280 S CA -0.642 57.538 58.200 -0.033 0.000 0.903 1280 S CB 1.714 64.896 63.200 -0.031 0.000 1.356 1280 S HN 0.150 nan 8.310 nan 0.000 0.626 1281 R N -1.082 119.380 120.500 -0.063 0.000 4.048 1281 R HA -0.078 4.269 4.340 0.012 0.000 0.371 1281 R C -1.018 175.236 176.300 -0.077 0.000 0.241 1281 R CA 0.893 56.943 56.100 -0.085 0.000 1.204 1281 R CB -1.639 28.612 30.300 -0.083 0.000 1.105 1281 R HN 0.821 nan 8.270 nan 0.000 0.511 1282 S N -0.541 115.111 115.700 -0.080 0.000 2.541 1282 S HA 0.718 5.195 4.470 0.012 0.000 0.280 1282 S C -0.979 173.587 174.600 -0.056 0.000 1.112 1282 S CA 0.025 58.182 58.200 -0.071 0.000 0.925 1282 S CB 2.054 65.200 63.200 -0.090 0.000 1.067 1282 S HN 0.748 nan 8.310 nan 0.000 0.479 1283 S N 1.582 117.256 115.700 -0.045 0.000 3.701 1283 S HA -0.145 4.332 4.470 0.012 0.000 0.633 1283 S C 0.412 174.993 174.600 -0.033 0.000 2.263 1283 S CA 0.677 58.856 58.200 -0.035 0.000 2.658 1283 S CB -0.759 62.421 63.200 -0.032 0.000 0.323 1283 S HN 0.811 nan 8.310 nan 0.000 1.605 1284 K N -0.278 120.103 120.400 -0.031 0.000 4.224 1284 K HA 0.758 5.085 4.320 0.012 0.000 0.287 1284 K C -0.732 175.845 176.600 -0.039 0.000 1.001 1284 K CA -0.595 55.675 56.287 -0.029 0.000 1.773 1284 K CB 0.545 33.032 32.500 -0.023 0.000 3.230 1284 K HN 0.415 nan 8.250 nan 0.000 0.889 1285 I N 1.516 122.059 120.570 -0.045 0.000 2.785 1285 I HA 0.177 4.354 4.170 0.012 0.000 0.293 1285 I C -1.828 174.229 176.117 -0.101 0.000 1.446 1285 I CA -0.251 61.000 61.300 -0.081 0.000 1.028 1285 I CB 2.096 40.067 38.000 -0.049 0.000 1.349 1285 I HN 0.687 nan 8.210 nan 0.000 0.438 1286 T N 2.349 116.784 114.554 -0.198 0.000 2.879 1286 T HA 0.637 4.995 4.350 0.012 0.000 0.290 1286 T C -0.285 174.235 174.700 -0.300 0.000 0.993 1286 T CA -0.444 61.559 62.100 -0.162 0.000 0.975 1286 T CB 1.360 70.172 68.868 -0.093 0.000 0.981 1286 T HN 0.705 nan 8.240 nan 0.000 0.439 1287 H N 0.494 119.571 119.070 0.012 0.000 3.124 1287 H HA 0.250 4.814 4.556 0.012 0.000 0.250 1287 H C 0.487 175.824 175.328 0.015 0.000 1.184 1287 H CA -1.071 54.986 56.048 0.015 0.000 1.013 1287 H CB 0.657 30.425 29.762 0.010 0.000 1.891 1287 H HN 0.693 nan 8.280 nan 0.000 0.687 1288 R N 1.156 121.717 120.500 0.102 0.000 2.457 1288 R HA -0.075 4.272 4.340 0.012 0.000 0.274 1288 R C -0.490 175.841 176.300 0.051 0.000 0.935 1288 R CA 0.534 56.663 56.100 0.047 0.000 1.115 1288 R CB 0.452 30.774 30.300 0.038 0.000 0.860 1288 R HN 0.142 nan 8.270 nan 0.000 0.426 1289 I N 2.136 122.689 120.570 -0.029 0.000 2.569 1289 I HA 0.352 4.529 4.170 0.012 0.000 0.296 1289 I C -0.855 175.189 176.117 -0.122 0.000 1.028 1289 I CA -1.251 60.052 61.300 0.005 0.000 1.082 1289 I CB 1.936 39.959 38.000 0.039 0.000 1.264 1289 I HN 0.821 nan 8.210 nan 0.000 0.429 1290 H N 5.693 124.811 119.070 0.080 0.000 2.572 1290 H HA 0.261 4.824 4.556 0.012 0.000 0.359 1290 H C -0.671 174.744 175.328 0.146 0.000 1.134 1290 H CA -0.263 55.849 56.048 0.106 0.000 1.187 1290 H CB 2.040 31.840 29.762 0.063 0.000 1.597 1290 H HN 0.571 nan 8.280 nan 0.000 0.524 1291 W N 2.702 124.072 121.300 0.116 0.000 2.150 1291 W HA 0.109 4.777 4.660 0.012 0.000 0.341 1291 W C -0.261 176.299 176.519 0.069 0.000 1.276 1291 W CA 0.263 57.648 57.345 0.068 0.000 1.238 1291 W CB 0.448 29.933 29.460 0.042 0.000 1.128 1291 W HN 0.859 nan 8.180 nan 0.000 0.581 1292 E N 1.392 121.132 120.200 -0.766 0.000 2.468 1292 E HA -0.197 4.160 4.350 0.012 0.000 0.264 1292 E C -0.762 175.677 176.600 -0.267 0.000 1.069 1292 E CA 0.843 56.960 56.400 -0.471 0.000 0.768 1292 E CB -1.649 27.959 29.700 -0.152 0.000 1.332 1292 E HN 0.382 nan 8.360 nan 0.000 0.398 1293 S N -1.357 114.166 115.700 -0.295 0.000 2.609 1293 S HA 0.634 5.111 4.470 0.012 0.000 0.250 1293 S C -0.083 174.419 174.600 -0.165 0.000 1.112 1293 S CA -0.440 57.664 58.200 -0.160 0.000 1.102 1293 S CB 1.675 64.837 63.200 -0.062 0.000 1.124 1293 S HN 0.623 nan 8.310 nan 0.000 0.460 1294 A N 2.727 125.457 122.820 -0.150 0.000 2.524 1294 A HA 0.500 4.827 4.320 0.012 0.000 0.271 1294 A C 1.186 178.724 177.584 -0.077 0.000 1.097 1294 A CA 0.420 52.384 52.037 -0.122 0.000 0.791 1294 A CB -0.804 18.139 19.000 -0.094 0.000 1.028 1294 A HN 2.120 nan 8.150 nan 0.000 0.518 1295 S N 0.786 116.444 115.700 -0.069 0.000 2.585 1295 S HA 0.037 4.515 4.470 0.012 0.000 0.201 1295 S C -0.355 174.230 174.600 -0.026 0.000 0.826 1295 S CA -0.392 57.786 58.200 -0.037 0.000 1.552 1295 S CB -1.124 62.064 63.200 -0.019 0.000 1.270 1295 S HN 0.416 nan 8.310 nan 0.000 0.586 1296 L N 3.890 125.095 121.223 -0.029 0.000 2.617 1296 L HA 0.554 4.901 4.340 0.012 0.000 0.282 1296 L C 0.129 176.998 176.870 -0.003 0.000 1.174 1296 L CA 0.389 55.229 54.840 -0.001 0.000 1.016 1296 L CB -0.057 42.014 42.059 0.020 0.000 1.337 1296 L HN 0.541 nan 8.230 nan 0.000 0.460 1297 L N 3.558 124.776 121.223 -0.009 0.000 5.403 1297 L HA -0.001 4.346 4.340 0.012 0.000 0.269 1297 L C -0.481 176.371 176.870 -0.030 0.000 1.195 1297 L CA 0.175 55.006 54.840 -0.015 0.000 1.070 1297 L CB -0.480 41.573 42.059 -0.009 0.000 1.596 1297 L HN 0.608 nan 8.230 nan 0.000 0.504 1298 R N 1.096 121.567 120.500 -0.049 0.000 2.700 1298 R HA 0.898 5.245 4.340 0.012 0.000 0.253 1298 R C 0.026 176.274 176.300 -0.086 0.000 1.091 1298 R CA 0.038 56.087 56.100 -0.086 0.000 1.104 1298 R CB 1.878 32.091 30.300 -0.144 0.000 1.202 1298 R HN 0.590 nan 8.270 nan 0.000 0.532 1299 S N -0.140 115.494 115.700 -0.110 0.000 2.546 1299 S HA 0.170 4.647 4.470 0.012 0.000 0.303 1299 S C -1.280 173.280 174.600 -0.066 0.000 1.067 1299 S CA -1.071 57.084 58.200 -0.075 0.000 0.944 1299 S CB 1.215 64.394 63.200 -0.034 0.000 1.155 1299 S HN 0.555 nan 8.310 nan 0.000 0.449 1300 E N 1.513 121.679 120.200 -0.056 0.000 2.171 1300 E HA 0.351 4.708 4.350 0.012 0.000 0.271 1300 E C -0.832 175.776 176.600 0.014 0.000 0.916 1300 E CA -0.723 55.675 56.400 -0.003 0.000 0.774 1300 E CB 1.326 31.052 29.700 0.043 0.000 1.128 1300 E HN 0.666 nan 8.360 nan 0.000 0.403 1301 E N 1.507 121.725 120.200 0.029 0.000 2.376 1301 E HA 0.089 4.446 4.350 0.012 0.000 0.266 1301 E C -0.155 176.468 176.600 0.037 0.000 1.009 1301 E CA 0.288 56.712 56.400 0.040 0.000 0.902 1301 E CB 0.719 30.447 29.700 0.047 0.000 0.972 1301 E HN 0.412 nan 8.360 nan 0.000 0.439 1302 T N -0.395 114.183 114.554 0.041 0.000 2.887 1302 T HA 0.674 5.031 4.350 0.012 0.000 0.292 1302 T C 0.021 174.755 174.700 0.057 0.000 1.087 1302 T CA -1.031 61.088 62.100 0.032 0.000 1.009 1302 T CB 1.668 70.540 68.868 0.008 0.000 1.203 1302 T HN 0.492 nan 8.240 nan 0.000 0.518 1303 K N -0.447 119.983 120.400 0.050 0.000 2.582 1303 K HA 0.107 4.435 4.320 0.012 0.000 0.191 1303 K C -0.086 176.551 176.600 0.062 0.000 1.593 1303 K CA -0.281 56.048 56.287 0.070 0.000 1.040 1303 K CB -0.571 31.965 32.500 0.059 0.000 1.374 1303 K HN 0.671 nan 8.250 nan 0.000 0.608 1304 E N 2.938 123.164 120.200 0.045 0.000 3.111 1304 E HA -0.110 4.247 4.350 0.012 0.000 0.230 1304 E C -0.488 176.142 176.600 0.050 0.000 1.035 1304 E CA 0.207 56.630 56.400 0.038 0.000 0.944 1304 E CB -0.408 29.309 29.700 0.028 0.000 0.919 1304 E HN 0.066 nan 8.360 nan 0.000 0.554 1305 N N 5.201 123.928 118.700 0.046 0.000 2.349 1305 N HA -0.073 4.675 4.740 0.012 0.000 0.296 1305 N C -0.961 174.577 175.510 0.046 0.000 1.304 1305 N CA 0.670 53.748 53.050 0.047 0.000 1.051 1305 N CB 0.031 38.542 38.487 0.040 0.000 1.466 1305 N HN 0.482 nan 8.380 nan 0.000 0.487 1306 E N 0.214 120.449 120.200 0.058 0.000 3.079 1306 E HA 0.140 4.497 4.350 0.012 0.000 0.329 1306 E C 0.112 176.762 176.600 0.083 0.000 1.166 1306 E CA -0.540 55.895 56.400 0.057 0.000 0.876 1306 E CB 0.450 30.182 29.700 0.054 0.000 1.479 1306 E HN 0.478 nan 8.360 nan 0.000 0.384 1307 G N 1.632 110.469 108.800 0.062 0.000 2.469 1307 G HA2 0.051 4.018 3.960 0.012 0.000 0.229 1307 G HA3 0.051 4.018 3.960 0.012 0.000 0.229 1307 G C -0.030 174.935 174.900 0.108 0.000 1.222 1307 G CA 0.166 45.297 45.100 0.051 0.000 0.861 1307 G HN 0.348 nan 8.290 nan 0.000 0.538 1308 F N -0.247 119.709 119.950 0.010 0.000 2.483 1308 F HA 0.839 5.373 4.527 0.012 0.000 0.329 1308 F C -0.129 175.676 175.800 0.009 0.000 1.064 1308 F CA -1.265 56.740 58.000 0.009 0.000 0.986 1308 F CB 2.076 41.081 39.000 0.008 0.000 1.218 1308 F HN 0.384 nan 8.300 nan 0.000 0.484 1309 T N 3.017 117.703 114.554 0.220 0.000 3.031 1309 T HA 0.523 4.880 4.350 0.012 0.000 0.305 1309 T C -1.368 173.453 174.700 0.202 0.000 0.985 1309 T CA -0.552 61.607 62.100 0.099 0.000 1.008 1309 T CB 1.260 70.148 68.868 0.035 0.000 1.005 1309 T HN 0.600 nan 8.240 nan 0.000 0.444 1310 V N 4.163 124.206 119.914 0.215 0.000 2.448 1310 V HA 0.764 4.892 4.120 0.012 0.000 0.295 1310 V C 0.366 176.519 176.094 0.098 0.000 1.025 1310 V CA -0.725 61.679 62.300 0.173 0.000 0.859 1310 V CB 1.842 33.795 31.823 0.217 0.000 0.988 1310 V HN 1.064 nan 8.190 nan 0.000 0.431 1311 T N 1.325 115.920 114.554 0.068 0.000 2.907 1311 T HA 1.008 5.365 4.350 0.012 0.000 0.290 1311 T C -0.364 174.360 174.700 0.039 0.000 1.066 1311 T CA -0.347 61.781 62.100 0.046 0.000 1.012 1311 T CB 2.378 71.267 68.868 0.035 0.000 1.184 1311 T HN 1.715 nan 8.240 nan 0.000 0.522 1312 A N 0.609 123.447 122.820 0.031 0.000 2.440 1312 A HA 0.557 4.884 4.320 0.012 0.000 0.298 1312 A C -1.454 176.143 177.584 0.021 0.000 0.955 1312 A CA -0.980 51.072 52.037 0.025 0.000 0.581 1312 A CB 0.183 19.198 19.000 0.025 0.000 1.424 1312 A HN 1.140 nan 8.150 nan 0.000 0.484 1313 E N 0.608 120.819 120.200 0.018 0.000 2.232 1313 E HA 0.753 5.110 4.350 0.012 0.000 0.264 1313 E C 0.000 176.609 176.600 0.015 0.000 0.973 1313 E CA -0.386 56.023 56.400 0.015 0.000 0.849 1313 E CB 2.053 31.761 29.700 0.014 0.000 1.198 1313 E HN 2.175 nan 8.360 nan 0.000 0.407 1314 G N 0.481 109.289 108.800 0.013 0.000 2.657 1314 G HA2 0.399 4.366 3.960 0.012 0.000 0.303 1314 G HA3 0.399 4.366 3.960 0.012 0.000 0.303 1314 G C -0.636 174.271 174.900 0.011 0.000 1.457 1314 G CA -0.305 44.802 45.100 0.012 0.000 0.982 1314 G HN 0.731 nan 8.290 nan 0.000 0.583 1315 K N 0.977 121.383 120.400 0.010 0.000 2.328 1315 K HA 0.203 4.531 4.320 0.012 0.000 0.096 1315 K C 1.114 177.719 176.600 0.009 0.000 1.620 1315 K CA 0.548 56.840 56.287 0.010 0.000 0.878 1315 K CB -0.812 31.693 32.500 0.009 0.000 2.343 1315 K HN 2.457 nan 8.250 nan 0.000 0.442 1316 G N 0.457 109.262 108.800 0.009 0.000 2.396 1316 G HA2 -0.432 3.536 3.960 0.012 0.000 0.242 1316 G HA3 -0.432 3.536 3.960 0.012 0.000 0.242 1316 G C 0.312 175.217 174.900 0.007 0.000 1.069 1316 G CA 1.305 46.410 45.100 0.008 0.000 0.633 1316 G HN 0.535 nan 8.290 nan 0.000 0.517 1317 Q N -1.140 118.664 119.800 0.007 0.000 3.106 1317 Q HA 0.708 5.056 4.340 0.012 0.000 0.219 1317 Q C 0.454 176.458 176.000 0.007 0.000 1.139 1317 Q CA 0.024 55.830 55.803 0.006 0.000 0.458 1317 Q CB 0.502 29.243 28.738 0.005 0.000 5.120 1317 Q HN 1.430 nan 8.270 nan 0.000 0.295 1318 G N -0.709 108.095 108.800 0.006 0.000 2.633 1318 G HA2 0.543 4.511 3.960 0.012 0.000 0.299 1318 G HA3 0.543 4.511 3.960 0.012 0.000 0.299 1318 G C -1.379 173.525 174.900 0.006 0.000 1.501 1318 G CA -0.482 44.622 45.100 0.007 0.000 0.887 1318 G HN 0.267 nan 8.290 nan 0.000 0.561 1319 T N 0.775 115.332 114.554 0.006 0.000 2.896 1319 T HA 0.864 5.221 4.350 0.012 0.000 0.297 1319 T C -0.320 174.382 174.700 0.003 0.000 1.108 1319 T CA -0.417 61.685 62.100 0.005 0.000 1.004 1319 T CB 1.815 70.686 68.868 0.005 0.000 1.159 1319 T HN 1.531 nan 8.240 nan 0.000 0.499 1320 L N -1.876 119.348 121.223 0.000 0.000 3.079 1320 L HA 0.922 5.270 4.340 0.012 0.000 0.278 1320 L C -1.761 175.103 176.870 -0.010 0.000 1.026 1320 L CA -0.903 53.935 54.840 -0.004 0.000 0.963 1320 L CB 1.748 43.806 42.059 -0.001 0.000 1.526 1320 L HN 0.626 nan 8.230 nan 0.000 0.397 1321 S N 0.306 115.995 115.700 -0.018 0.000 2.566 1321 S HA 0.780 5.258 4.470 0.012 0.000 0.273 1321 S C -1.228 173.342 174.600 -0.051 0.000 1.157 1321 S CA -0.348 57.833 58.200 -0.033 0.000 0.938 1321 S CB 2.159 65.340 63.200 -0.033 0.000 1.087 1321 S HN 1.173 nan 8.310 nan 0.000 0.474 1322 V N 0.485 120.355 119.914 -0.074 0.000 2.559 1322 V HA 0.918 5.045 4.120 0.012 0.000 0.289 1322 V C -0.820 175.168 176.094 -0.177 0.000 1.036 1322 V CA -0.882 61.357 62.300 -0.101 0.000 0.887 1322 V CB 0.843 32.625 31.823 -0.069 0.000 1.022 1322 V HN 1.090 nan 8.190 nan 0.000 0.442 1323 V N 1.022 120.781 119.914 -0.259 0.000 2.812 1323 V HA 0.626 4.753 4.120 0.012 0.000 0.280 1323 V C 0.325 176.108 176.094 -0.518 0.000 1.324 1323 V CA 0.302 62.282 62.300 -0.534 0.000 0.933 1323 V CB 0.552 31.941 31.823 -0.723 0.000 1.091 1323 V HN 1.259 nan 8.190 nan 0.000 0.455 1324 T N 1.430 115.730 114.554 -0.424 0.000 3.568 1324 T HA 0.249 4.606 4.350 0.012 0.000 0.406 1324 T C 0.795 175.469 174.700 -0.042 0.000 1.191 1324 T CA 0.641 62.636 62.100 -0.176 0.000 1.041 1324 T CB 0.283 69.114 68.868 -0.062 0.000 1.593 1324 T HN 1.103 nan 8.240 nan 0.000 0.529 1325 M N 2.014 121.666 119.600 0.088 0.000 3.568 1325 M HA 0.282 4.769 4.480 0.012 0.000 0.213 1325 M C -1.074 175.348 176.300 0.204 0.000 1.256 1325 M CA -0.902 54.496 55.300 0.163 0.000 1.418 1325 M CB -0.597 32.042 32.600 0.064 0.000 1.102 1325 M HN 0.670 nan 8.290 nan 0.000 0.599 1326 Y N -1.740 118.531 120.300 -0.050 0.000 2.486 1326 Y HA 0.452 5.009 4.550 0.012 0.000 0.356 1326 Y C -0.403 175.425 175.900 -0.119 0.000 1.330 1326 Y CA -1.287 56.787 58.100 -0.043 0.000 1.557 1326 Y CB -0.188 38.286 38.460 0.024 0.000 1.647 1326 Y HN 0.147 nan 8.280 nan 0.000 0.585 1327 H N 1.066 120.049 119.070 -0.144 0.000 2.705 1327 H HA 0.561 5.124 4.556 0.012 0.000 0.291 1327 H C 0.045 175.045 175.328 -0.547 0.000 1.085 1327 H CA -0.159 55.723 56.048 -0.276 0.000 1.357 1327 H CB 0.873 30.587 29.762 -0.081 0.000 1.419 1327 H HN 0.871 nan 8.280 nan 0.000 0.462 1328 A N 4.083 126.551 122.820 -0.587 0.000 2.409 1328 A HA 0.081 4.409 4.320 0.012 0.000 0.246 1328 A C 0.300 177.786 177.584 -0.163 0.000 1.099 1328 A CA -0.401 51.332 52.037 -0.507 0.000 0.789 1328 A CB 0.269 19.060 19.000 -0.349 0.000 1.053 1328 A HN 0.705 nan 8.150 nan 0.000 0.503 1329 K N 0.818 121.177 120.400 -0.070 0.000 2.292 1329 K HA 0.456 4.783 4.320 0.012 0.000 0.290 1329 K C -0.341 176.246 176.600 -0.021 0.000 1.083 1329 K CA 0.255 56.529 56.287 -0.021 0.000 0.918 1329 K CB 0.838 33.344 32.500 0.010 0.000 1.089 1329 K HN 0.629 nan 8.250 nan 0.000 0.473 1330 A N 4.436 127.245 122.820 -0.019 0.000 2.288 1330 A HA 0.615 4.942 4.320 0.012 0.000 0.320 1330 A C -0.540 177.044 177.584 -0.000 0.000 1.217 1330 A CA -0.431 51.598 52.037 -0.013 0.000 0.840 1330 A CB 0.551 19.542 19.000 -0.016 0.000 1.179 1330 A HN 0.758 nan 8.150 nan 0.000 0.504 1331 K N 1.540 121.943 120.400 0.005 0.000 6.168 1331 K HA -0.020 4.308 4.320 0.012 0.000 0.774 1331 K C -1.818 174.792 176.600 0.016 0.000 1.109 1331 K CA -0.799 55.495 56.287 0.012 0.000 0.933 1331 K CB -0.064 32.446 32.500 0.016 0.000 1.333 1331 K HN 0.863 nan 8.250 nan 0.000 0.610 1332 D N 2.604 123.015 120.400 0.019 0.000 2.703 1332 D HA -0.125 4.522 4.640 0.012 0.000 0.225 1332 D C 0.270 176.588 176.300 0.030 0.000 1.119 1332 D CA 0.823 54.838 54.000 0.024 0.000 0.845 1332 D CB 0.393 41.208 40.800 0.026 0.000 1.182 1332 D HN 0.199 nan 8.370 nan 0.000 0.493 1333 Q N 1.266 121.085 119.800 0.033 0.000 2.283 1333 Q HA -0.046 4.302 4.340 0.012 0.000 0.301 1333 Q C 0.555 176.583 176.000 0.047 0.000 1.063 1333 Q CA -0.335 55.491 55.803 0.040 0.000 0.952 1333 Q CB 0.538 29.300 28.738 0.040 0.000 1.166 1333 Q HN 0.527 nan 8.270 nan 0.000 0.381 1334 L N 3.922 125.177 121.223 0.054 0.000 2.554 1334 L HA -0.003 4.344 4.340 0.012 0.000 0.226 1334 L C 0.698 177.613 176.870 0.075 0.000 1.137 1334 L CA 1.891 56.770 54.840 0.065 0.000 0.863 1334 L CB 0.159 42.260 42.059 0.071 0.000 0.985 1334 L HN 1.078 nan 8.230 nan 0.000 0.451 1335 T N -3.486 111.112 114.554 0.073 0.000 10.708 1335 T HA -0.216 4.141 4.350 0.012 0.000 0.354 1335 T C 0.556 175.307 174.700 0.085 0.000 1.855 1335 T CA 0.787 62.935 62.100 0.079 0.000 3.073 1335 T CB -1.676 67.246 68.868 0.090 0.000 2.104 1335 T HN 0.350 nan 8.240 nan 0.000 0.554 1336 c N 3.289 121.946 118.600 0.095 0.000 2.307 1336 c HA 0.653 5.230 4.570 0.012 0.000 0.340 1336 c C 1.611 175.761 174.090 0.100 0.000 1.275 1336 c CA -0.698 55.704 56.329 0.121 0.000 1.811 1336 c CB 0.195 42.798 42.510 0.155 0.000 2.372 1336 c HN 0.636 nan 8.230 nan 0.000 0.531 1337 N N 0.429 119.189 118.700 0.100 0.000 2.322 1337 N HA 0.053 4.800 4.740 0.012 0.000 0.181 1337 N C 0.979 176.504 175.510 0.024 0.000 1.088 1337 N CA 0.587 53.673 53.050 0.061 0.000 0.885 1337 N CB 0.322 38.845 38.487 0.060 0.000 1.013 1337 N HN 0.600 nan 8.380 nan 0.000 0.472 1338 K N -1.039 119.396 120.400 0.058 0.000 2.491 1338 K HA 0.258 4.586 4.320 0.012 0.000 0.211 1338 K C -0.967 175.517 176.600 -0.194 0.000 1.210 1338 K CA 0.133 56.366 56.287 -0.091 0.000 1.003 1338 K CB 0.823 33.330 32.500 0.011 0.000 1.009 1338 K HN -0.081 nan 8.250 nan 0.000 0.577 1339 F N 1.006 121.008 119.950 0.088 0.000 2.540 1339 F HA 0.343 4.877 4.527 0.012 0.000 0.317 1339 F C -0.551 175.301 175.800 0.087 0.000 1.104 1339 F CA -1.185 56.897 58.000 0.136 0.000 0.913 1339 F CB 1.752 40.857 39.000 0.175 0.000 1.170 1339 F HN -0.213 nan 8.300 nan 0.000 0.450 1340 D N 3.127 123.692 120.400 0.275 0.000 2.175 1340 D HA 0.560 5.208 4.640 0.012 0.000 0.248 1340 D C -1.229 175.188 176.300 0.194 0.000 1.047 1340 D CA -0.077 54.031 54.000 0.180 0.000 0.883 1340 D CB 2.000 42.864 40.800 0.107 0.000 1.180 1340 D HN 0.213 nan 8.370 nan 0.000 0.438 1341 L N 1.853 123.154 121.223 0.130 0.000 2.562 1341 L HA 0.336 4.683 4.340 0.012 0.000 0.266 1341 L C -1.334 175.577 176.870 0.068 0.000 0.949 1341 L CA -0.589 54.310 54.840 0.098 0.000 0.879 1341 L CB 1.606 43.716 42.059 0.086 0.000 1.278 1341 L HN 0.303 nan 8.230 nan 0.000 0.404 1342 K N 4.594 125.023 120.400 0.048 0.000 2.394 1342 K HA 0.793 5.120 4.320 0.012 0.000 0.260 1342 K C -1.869 174.736 176.600 0.009 0.000 0.967 1342 K CA -0.531 55.775 56.287 0.032 0.000 0.855 1342 K CB 1.582 34.096 32.500 0.022 0.000 1.101 1342 K HN 0.418 nan 8.250 nan 0.000 0.433 1343 V N 3.743 123.667 119.914 0.017 0.000 2.409 1343 V HA 0.426 4.553 4.120 0.012 0.000 0.291 1343 V C -0.530 175.550 176.094 -0.024 0.000 1.020 1343 V CA -0.658 61.632 62.300 -0.016 0.000 0.848 1343 V CB 1.672 33.518 31.823 0.040 0.000 0.990 1343 V HN 0.878 nan 8.190 nan 0.000 0.430 1344 T N 5.751 120.241 114.554 -0.106 0.000 2.863 1344 T HA 0.727 5.084 4.350 0.012 0.000 0.285 1344 T C -0.857 173.726 174.700 -0.195 0.000 1.009 1344 T CA -0.276 61.760 62.100 -0.107 0.000 0.989 1344 T CB 1.855 70.667 68.868 -0.093 0.000 1.004 1344 T HN 0.534 nan 8.240 nan 0.000 0.455 1345 I N 2.741 123.226 120.570 -0.143 0.000 2.500 1345 I HA 0.529 4.706 4.170 0.012 0.000 0.286 1345 I C -1.288 174.758 176.117 -0.118 0.000 1.063 1345 I CA -0.321 60.868 61.300 -0.184 0.000 1.062 1345 I CB 1.005 38.901 38.000 -0.173 0.000 1.223 1345 I HN 0.442 nan 8.210 nan 0.000 0.435 1346 K N 7.439 127.765 120.400 -0.124 0.000 2.422 1346 K HA 0.591 4.918 4.320 0.012 0.000 0.251 1346 K C -2.697 173.863 176.600 -0.067 0.000 0.933 1346 K CA -1.814 54.424 56.287 -0.082 0.000 0.798 1346 K CB 1.961 34.416 32.500 -0.076 0.000 1.238 1346 K HN 0.240 nan 8.250 nan 0.000 0.428 1347 P HA 0.015 nan 4.420 nan 0.000 0.266 1347 P C -0.938 176.346 177.300 -0.028 0.000 1.215 1347 P CA -0.074 63.013 63.100 -0.023 0.000 0.763 1347 P CB 0.681 32.372 31.700 -0.015 0.000 0.806 1348 A N 6.714 129.520 122.820 -0.024 0.000 2.425 1348 A HA 0.400 4.727 4.320 0.012 0.000 0.242 1348 A C -1.804 175.771 177.584 -0.014 0.000 1.077 1348 A CA -1.082 50.941 52.037 -0.022 0.000 0.781 1348 A CB -1.193 17.798 19.000 -0.016 0.000 1.020 1348 A HN 0.429 nan 8.150 nan 0.000 0.494 1349 P HA 0.041 nan 4.420 nan 0.000 0.266 1349 P C -0.182 177.112 177.300 -0.010 0.000 1.193 1349 P CA 0.320 63.412 63.100 -0.013 0.000 0.770 1349 P CB 0.363 32.056 31.700 -0.012 0.000 0.836 1350 E N 0.098 120.291 120.200 -0.012 0.000 2.358 1350 E HA -0.052 4.305 4.350 0.012 0.000 0.195 1350 E C 0.601 177.192 176.600 -0.016 0.000 1.010 1350 E CA 0.987 57.378 56.400 -0.014 0.000 0.856 1350 E CB -0.435 29.256 29.700 -0.015 0.000 0.795 1350 E HN 0.467 nan 8.360 nan 0.000 0.504 1351 T N 0.090 114.636 114.554 -0.013 0.000 3.264 1351 T HA 0.123 4.480 4.350 0.012 0.000 0.257 1351 T C 0.903 175.597 174.700 -0.010 0.000 0.976 1351 T CA -0.153 61.939 62.100 -0.013 0.000 0.908 1351 T CB 0.221 69.082 68.868 -0.011 0.000 1.082 1351 T HN -0.014 nan 8.240 nan 0.000 0.567 1352 E N 2.265 122.460 120.200 -0.007 0.000 2.216 1352 E HA 0.056 4.413 4.350 0.012 0.000 0.192 1352 E C -0.144 176.458 176.600 0.003 0.000 0.988 1352 E CA 0.495 56.896 56.400 0.002 0.000 0.834 1352 E CB -0.165 29.543 29.700 0.014 0.000 0.772 1352 E HN 0.366 nan 8.360 nan 0.000 0.479 1353 K N 0.626 121.019 120.400 -0.012 0.000 5.707 1353 K HA -0.146 4.181 4.320 0.012 0.000 0.660 1353 K C -0.725 175.855 176.600 -0.033 0.000 1.386 1353 K CA 0.622 56.894 56.287 -0.024 0.000 1.556 1353 K CB -0.920 31.572 32.500 -0.013 0.000 1.957 1353 K HN 0.236 nan 8.250 nan 0.000 0.357 1354 R N 1.551 121.997 120.500 -0.091 0.000 2.607 1354 R HA 0.594 4.941 4.340 0.012 0.000 0.261 1354 R C -2.065 174.087 176.300 -0.247 0.000 1.051 1354 R CA -1.739 54.222 56.100 -0.232 0.000 1.110 1354 R CB 0.111 30.201 30.300 -0.350 0.000 1.158 1354 R HN 0.011 nan 8.270 nan 0.000 0.543 1355 P HA -0.105 nan 4.420 nan 0.000 0.270 1355 P C 0.062 177.281 177.300 -0.135 0.000 1.216 1355 P CA 0.017 63.012 63.100 -0.174 0.000 0.788 1355 P CB 0.485 32.118 31.700 -0.113 0.000 0.883 1356 Q N 0.061 119.822 119.800 -0.064 0.000 2.224 1356 Q HA -0.164 4.183 4.340 0.012 0.000 0.203 1356 Q C 0.900 176.867 176.000 -0.054 0.000 0.970 1356 Q CA 1.357 57.127 55.803 -0.055 0.000 0.865 1356 Q CB 0.053 28.770 28.738 -0.034 0.000 0.922 1356 Q HN 0.372 nan 8.270 nan 0.000 0.445 1357 D N -0.345 120.043 120.400 -0.020 0.000 2.301 1357 D HA 0.091 4.738 4.640 0.012 0.000 0.206 1357 D C -0.142 176.121 176.300 -0.062 0.000 0.979 1357 D CA 0.337 54.336 54.000 -0.001 0.000 0.874 1357 D CB 0.123 40.961 40.800 0.063 0.000 0.968 1357 D HN 0.201 nan 8.370 nan 0.000 0.510 1358 A N 1.135 123.835 122.820 -0.201 0.000 2.522 1358 A HA 0.008 4.335 4.320 0.012 0.000 0.256 1358 A C 1.221 178.613 177.584 -0.321 0.000 1.086 1358 A CA 0.142 51.867 52.037 -0.519 0.000 0.763 1358 A CB 0.440 18.966 19.000 -0.790 0.000 1.024 1358 A HN -0.145 nan 8.150 nan 0.000 0.502 1359 K N 0.919 121.140 120.400 -0.299 0.000 2.167 1359 K HA -0.005 4.323 4.320 0.012 0.000 0.203 1359 K C 0.390 176.892 176.600 -0.163 0.000 1.052 1359 K CA 1.476 57.650 56.287 -0.189 0.000 0.956 1359 K CB 0.061 32.468 32.500 -0.156 0.000 0.735 1359 K HN 0.885 nan 8.250 nan 0.000 0.451 1360 N N -1.356 117.225 118.700 -0.199 0.000 2.516 1360 N HA 0.083 4.830 4.740 0.012 0.000 0.268 1360 N C -1.908 173.558 175.510 -0.073 0.000 1.096 1360 N CA -0.447 52.534 53.050 -0.115 0.000 0.954 1360 N CB 1.698 40.135 38.487 -0.082 0.000 1.676 1360 N HN -0.124 nan 8.380 nan 0.000 0.490 1361 T N 3.022 117.589 114.554 0.022 0.000 2.855 1361 T HA 0.706 5.063 4.350 0.012 0.000 0.281 1361 T C -0.815 173.932 174.700 0.077 0.000 1.007 1361 T CA -0.402 61.772 62.100 0.124 0.000 1.009 1361 T CB 0.412 69.413 68.868 0.221 0.000 0.983 1361 T HN 0.469 nan 8.240 nan 0.000 0.455 1362 M N 3.838 123.481 119.600 0.071 0.000 2.593 1362 M HA 0.532 5.019 4.480 0.012 0.000 0.290 1362 M C -1.156 175.080 176.300 -0.107 0.000 1.244 1362 M CA -0.924 54.378 55.300 0.003 0.000 0.857 1362 M CB 2.490 35.118 32.600 0.047 0.000 1.738 1362 M HN 0.476 nan 8.290 nan 0.000 0.461 1363 I N 2.551 123.030 120.570 -0.152 0.000 2.339 1363 I HA 0.326 4.503 4.170 0.012 0.000 0.290 1363 I C -1.055 174.861 176.117 -0.335 0.000 0.994 1363 I CA -0.740 60.424 61.300 -0.227 0.000 1.191 1363 I CB 1.530 39.430 38.000 -0.165 0.000 1.343 1363 I HN 0.377 nan 8.210 nan 0.000 0.458 1364 L N 7.370 128.270 121.223 -0.538 0.000 2.276 1364 L HA 0.440 4.787 4.340 0.012 0.000 0.286 1364 L C -0.277 176.182 176.870 -0.686 0.000 1.024 1364 L CA -0.000 54.422 54.840 -0.697 0.000 0.826 1364 L CB 1.171 42.646 42.059 -0.972 0.000 1.211 1364 L HN 0.571 nan 8.230 nan 0.000 0.422 1365 E N 5.120 125.061 120.200 -0.431 0.000 2.133 1365 E HA 0.488 4.845 4.350 0.012 0.000 0.274 1365 E C -1.211 175.256 176.600 -0.222 0.000 0.930 1365 E CA -0.469 55.754 56.400 -0.295 0.000 0.770 1365 E CB 1.013 30.597 29.700 -0.194 0.000 1.104 1365 E HN 0.688 nan 8.360 nan 0.000 0.403 1366 I N 4.325 124.802 120.570 -0.156 0.000 2.377 1366 I HA 0.342 4.519 4.170 0.012 0.000 0.293 1366 I C -0.774 175.328 176.117 -0.025 0.000 0.987 1366 I CA -0.842 60.415 61.300 -0.071 0.000 1.185 1366 I CB 1.497 39.486 38.000 -0.018 0.000 1.341 1366 I HN 0.578 nan 8.210 nan 0.000 0.455 1367 c N 4.047 122.644 118.600 -0.005 0.000 2.381 1367 c HA 0.628 5.205 4.570 0.012 0.000 0.328 1367 c C 0.238 174.361 174.090 0.055 0.000 1.190 1367 c CA -0.495 55.846 56.329 0.019 0.000 1.369 1367 c CB 1.143 43.655 42.510 0.005 0.000 2.029 1367 c HN 0.780 nan 8.230 nan 0.000 0.448 1368 T N 3.426 118.030 114.554 0.084 0.000 2.900 1368 T HA 0.764 5.122 4.350 0.012 0.000 0.295 1368 T C -1.158 173.645 174.700 0.172 0.000 1.044 1368 T CA -0.480 61.709 62.100 0.148 0.000 0.995 1368 T CB 1.268 70.235 68.868 0.165 0.000 1.072 1368 T HN 0.866 nan 8.240 nan 0.000 0.473 1369 R N 3.113 123.746 120.500 0.222 0.000 2.535 1369 R HA 0.341 4.688 4.340 0.012 0.000 0.274 1369 R C -2.046 174.352 176.300 0.164 0.000 1.090 1369 R CA -0.688 55.513 56.100 0.167 0.000 0.930 1369 R CB 1.373 31.724 30.300 0.084 0.000 1.223 1369 R HN 0.688 nan 8.270 nan 0.000 0.441 1370 Y N 3.283 123.537 120.300 -0.076 0.000 2.309 1370 Y HA 0.271 4.829 4.550 0.012 0.000 0.327 1370 Y C 0.522 176.323 175.900 -0.165 0.000 1.172 1370 Y CA -0.306 57.597 58.100 -0.327 0.000 1.280 1370 Y CB 1.050 39.331 38.460 -0.298 0.000 1.234 1370 Y HN 0.515 nan 8.280 nan 0.000 0.512 1371 R N 3.884 123.953 120.500 -0.718 0.000 2.568 1371 R HA 0.234 4.581 4.340 0.012 0.000 0.288 1371 R C 0.230 176.190 176.300 -0.567 0.000 1.077 1371 R CA 0.162 55.984 56.100 -0.464 0.000 1.102 1371 R CB -0.014 30.109 30.300 -0.295 0.000 1.278 1371 R HN 0.788 nan 8.270 nan 0.000 0.560 1372 G N 0.355 108.647 108.800 -0.846 0.000 2.491 1372 G HA2 0.091 4.058 3.960 0.012 0.000 0.327 1372 G HA3 0.091 4.058 3.960 0.012 0.000 0.327 1372 G C 0.465 175.210 174.900 -0.258 0.000 1.189 1372 G CA -0.545 44.246 45.100 -0.516 0.000 0.956 1372 G HN 0.104 nan 8.290 nan 0.000 0.491 1373 D N -0.961 119.313 120.400 -0.210 0.000 2.347 1373 D HA -0.032 4.615 4.640 0.012 0.000 0.215 1373 D C 0.566 176.532 176.300 -0.556 0.000 0.976 1373 D CA 0.753 54.596 54.000 -0.262 0.000 0.884 1373 D CB 0.575 41.303 40.800 -0.120 0.000 0.915 1373 D HN 0.381 nan 8.370 nan 0.000 0.526 1374 Q N 0.356 119.899 119.800 -0.428 0.000 2.451 1374 Q HA 0.254 4.601 4.340 0.012 0.000 0.281 1374 Q C -1.446 174.533 176.000 -0.034 0.000 1.099 1374 Q CA -0.934 54.660 55.803 -0.349 0.000 0.806 1374 Q CB 2.094 30.771 28.738 -0.101 0.000 1.419 1374 Q HN -0.110 nan 8.270 nan 0.000 0.427 1375 D N 1.176 121.676 120.400 0.166 0.000 2.472 1375 D HA 0.197 4.844 4.640 0.012 0.000 0.237 1375 D C -0.487 175.773 176.300 -0.066 0.000 1.141 1375 D CA 0.354 54.468 54.000 0.191 0.000 0.875 1375 D CB 0.507 41.400 40.800 0.155 0.000 1.192 1375 D HN 0.520 nan 8.370 nan 0.000 0.450 1376 A N 1.988 124.585 122.820 -0.372 0.000 2.401 1376 A HA 0.464 4.791 4.320 0.012 0.000 0.259 1376 A C 1.120 178.569 177.584 -0.226 0.000 1.103 1376 A CA -0.390 51.263 52.037 -0.640 0.000 0.789 1376 A CB 0.183 18.507 19.000 -1.127 0.000 1.035 1376 A HN 0.650 nan 8.150 nan 0.000 0.491 1377 T N 0.632 115.088 114.554 -0.163 0.000 4.953 1377 T HA 0.270 4.627 4.350 0.012 0.000 0.320 1377 T C 0.955 175.634 174.700 -0.035 0.000 1.042 1377 T CA -0.397 61.654 62.100 -0.080 0.000 1.089 1377 T CB -0.121 68.694 68.868 -0.087 0.000 1.879 1377 T HN 0.489 nan 8.240 nan 0.000 0.417 1378 M N 2.502 122.096 119.600 -0.010 0.000 2.409 1378 M HA 0.132 4.619 4.480 0.012 0.000 0.376 1378 M C -0.638 175.693 176.300 0.052 0.000 1.631 1378 M CA 0.741 56.054 55.300 0.023 0.000 0.987 1378 M CB -0.881 31.730 32.600 0.017 0.000 2.090 1378 M HN 0.645 nan 8.290 nan 0.000 0.474 1379 S N 4.527 120.223 115.700 -0.006 0.000 2.588 1379 S HA 0.760 5.237 4.470 0.012 0.000 0.275 1379 S C -0.732 173.734 174.600 -0.224 0.000 1.130 1379 S CA -0.738 57.390 58.200 -0.119 0.000 0.855 1379 S CB 2.372 65.547 63.200 -0.042 0.000 1.116 1379 S HN 0.638 nan 8.310 nan 0.000 0.472 1380 I N 1.770 122.045 120.570 -0.492 0.000 2.582 1380 I HA 0.370 4.548 4.170 0.012 0.000 0.292 1380 I C -1.572 174.331 176.117 -0.357 0.000 1.066 1380 I CA -0.744 60.270 61.300 -0.477 0.000 1.053 1380 I CB 1.710 39.315 38.000 -0.659 0.000 1.241 1380 I HN 0.324 nan 8.210 nan 0.000 0.421 1381 L N 5.066 126.171 121.223 -0.196 0.000 2.261 1381 L HA 0.287 4.634 4.340 0.012 0.000 0.289 1381 L C -0.270 176.569 176.870 -0.053 0.000 1.059 1381 L CA -0.065 54.719 54.840 -0.093 0.000 0.816 1381 L CB 0.413 42.452 42.059 -0.033 0.000 1.191 1381 L HN 0.404 nan 8.230 nan 0.000 0.431 1382 D N 4.362 124.769 120.400 0.012 0.000 2.456 1382 D HA 0.334 4.981 4.640 0.012 0.000 0.219 1382 D C -0.514 175.799 176.300 0.022 0.000 1.126 1382 D CA -0.131 53.888 54.000 0.031 0.000 0.890 1382 D CB 0.247 41.098 40.800 0.085 0.000 1.025 1382 D HN 0.340 nan 8.370 nan 0.000 0.511 1383 I N 3.061 123.656 120.570 0.042 0.000 2.306 1383 I HA 0.173 4.350 4.170 0.012 0.000 0.288 1383 I C 0.239 176.414 176.117 0.097 0.000 1.036 1383 I CA -0.767 60.590 61.300 0.095 0.000 1.221 1383 I CB 1.229 39.322 38.000 0.155 0.000 1.385 1383 I HN 0.304 nan 8.210 nan 0.000 0.472 1384 S N 7.016 122.762 115.700 0.077 0.000 2.439 1384 S HA 0.460 4.937 4.470 0.012 0.000 0.282 1384 S C 0.191 174.865 174.600 0.123 0.000 1.170 1384 S CA -0.983 57.256 58.200 0.065 0.000 1.054 1384 S CB 0.830 64.030 63.200 -0.000 0.000 0.956 1384 S HN 0.382 nan 8.310 nan 0.000 0.490 1385 M N 3.216 122.911 119.600 0.159 0.000 2.245 1385 M HA 0.184 4.672 4.480 0.012 0.000 0.312 1385 M C 0.867 177.261 176.300 0.156 0.000 1.070 1385 M CA 0.338 55.769 55.300 0.217 0.000 1.162 1385 M CB -0.369 32.380 32.600 0.247 0.000 1.448 1385 M HN 0.747 nan 8.290 nan 0.000 0.446 1386 M N 0.663 120.355 119.600 0.154 0.000 1.715 1386 M HA 0.059 4.546 4.480 0.012 0.000 0.170 1386 M C 0.774 177.256 176.300 0.304 0.000 1.261 1386 M CA 0.178 55.571 55.300 0.155 0.000 0.770 1386 M CB -0.022 32.629 32.600 0.085 0.000 1.112 1386 M HN 0.747 nan 8.290 nan 0.000 0.385 1387 T N -1.326 113.427 114.554 0.333 0.000 2.771 1387 T HA 0.481 4.838 4.350 0.012 0.000 0.291 1387 T C 0.817 175.724 174.700 0.346 0.000 0.954 1387 T CA 0.101 62.375 62.100 0.290 0.000 1.045 1387 T CB 0.854 69.847 68.868 0.210 0.000 0.917 1387 T HN 0.909 nan 8.240 nan 0.000 0.484 1388 G N 2.858 111.859 108.800 0.335 0.000 2.267 1388 G HA2 -0.235 3.732 3.960 0.012 0.000 0.257 1388 G HA3 -0.235 3.732 3.960 0.012 0.000 0.257 1388 G C -0.018 175.056 174.900 0.290 0.000 0.998 1388 G CA -0.024 45.331 45.100 0.425 0.000 0.620 1388 G HN 0.722 nan 8.290 nan 0.000 0.529 1389 F N 1.841 121.948 119.950 0.263 0.000 2.410 1389 F HA 0.614 5.148 4.527 0.012 0.000 0.334 1389 F C 0.777 176.741 175.800 0.274 0.000 1.134 1389 F CA 0.676 58.814 58.000 0.231 0.000 1.227 1389 F CB 1.602 40.711 39.000 0.182 0.000 1.194 1389 F HN 0.528 nan 8.300 nan 0.000 0.571 1390 A N 3.741 126.870 122.820 0.515 0.000 2.547 1390 A HA 0.664 4.991 4.320 0.012 0.000 0.297 1390 A C -2.959 174.830 177.584 0.341 0.000 1.056 1390 A CA -1.598 50.688 52.037 0.415 0.000 0.688 1390 A CB 1.559 20.812 19.000 0.422 0.000 1.282 1390 A HN 0.352 nan 8.150 nan 0.000 0.400 1391 P HA 0.142 nan 4.420 nan 0.000 0.278 1391 P C -0.888 176.453 177.300 0.069 0.000 1.238 1391 P CA -0.058 63.133 63.100 0.152 0.000 0.794 1391 P CB 0.799 32.543 31.700 0.073 0.000 0.955 1392 D N 2.202 122.594 120.400 -0.013 0.000 2.349 1392 D HA -0.005 4.642 4.640 0.012 0.000 0.266 1392 D C 0.877 177.127 176.300 -0.082 0.000 1.293 1392 D CA 0.346 54.335 54.000 -0.018 0.000 0.926 1392 D CB 0.514 41.260 40.800 -0.091 0.000 1.090 1392 D HN 0.281 nan 8.370 nan 0.000 0.502 1393 T N 1.350 115.868 114.554 -0.059 0.000 2.929 1393 T HA -0.157 4.200 4.350 0.012 0.000 0.271 1393 T C 1.135 175.759 174.700 -0.126 0.000 1.085 1393 T CA 0.607 62.608 62.100 -0.164 0.000 1.125 1393 T CB 0.172 69.030 68.868 -0.016 0.000 0.874 1393 T HN 0.295 nan 8.240 nan 0.000 0.494 1394 D N 1.652 122.031 120.400 -0.034 0.000 2.097 1394 D HA -0.062 4.585 4.640 0.012 0.000 0.197 1394 D C 2.002 178.280 176.300 -0.036 0.000 0.984 1394 D CA 0.978 54.973 54.000 -0.007 0.000 0.826 1394 D CB -0.377 40.442 40.800 0.031 0.000 0.973 1394 D HN 0.287 nan 8.370 nan 0.000 0.460 1395 D N 0.036 120.404 120.400 -0.053 0.000 2.144 1395 D HA -0.064 4.583 4.640 0.012 0.000 0.200 1395 D C 2.354 178.592 176.300 -0.104 0.000 0.978 1395 D CA 0.337 54.312 54.000 -0.043 0.000 0.833 1395 D CB -0.222 40.576 40.800 -0.003 0.000 0.961 1395 D HN 0.212 nan 8.370 nan 0.000 0.470 1396 L N 0.657 121.715 121.223 -0.276 0.000 2.017 1396 L HA -0.179 4.168 4.340 0.012 0.000 0.208 1396 L C 2.448 179.200 176.870 -0.198 0.000 1.073 1396 L CA 1.203 55.772 54.840 -0.451 0.000 0.745 1396 L CB -0.299 41.110 42.059 -1.083 0.000 0.894 1396 L HN -0.042 nan 8.230 nan 0.000 0.432 1397 K N -0.238 120.091 120.400 -0.118 0.000 2.001 1397 K HA -0.309 4.018 4.320 0.012 0.000 0.214 1397 K C 2.183 178.836 176.600 0.088 0.000 1.050 1397 K CA 2.004 58.364 56.287 0.122 0.000 0.934 1397 K CB -0.273 32.289 32.500 0.103 0.000 0.718 1397 K HN 0.293 nan 8.250 nan 0.000 0.443 1398 Q N 0.868 120.697 119.800 0.049 0.000 2.152 1398 Q HA -0.203 4.144 4.340 0.012 0.000 0.206 1398 Q C 2.056 178.123 176.000 0.113 0.000 0.985 1398 Q CA 1.448 57.293 55.803 0.070 0.000 0.863 1398 Q CB -0.074 28.698 28.738 0.057 0.000 0.904 1398 Q HN 0.331 nan 8.270 nan 0.000 0.422 1399 L N -0.452 120.838 121.223 0.112 0.000 2.141 1399 L HA -0.115 4.232 4.340 0.012 0.000 0.209 1399 L C 2.309 179.279 176.870 0.168 0.000 1.094 1399 L CA 1.052 56.007 54.840 0.191 0.000 0.763 1399 L CB -0.259 41.867 42.059 0.112 0.000 0.908 1399 L HN 0.261 nan 8.230 nan 0.000 0.437 1400 A N -0.938 121.962 122.820 0.133 0.000 2.063 1400 A HA 0.042 4.369 4.320 0.012 0.000 0.211 1400 A C 1.628 179.250 177.584 0.064 0.000 1.177 1400 A CA 0.395 52.498 52.037 0.111 0.000 0.759 1400 A CB 0.031 19.128 19.000 0.162 0.000 0.857 1400 A HN 0.364 nan 8.150 nan 0.000 0.468 1401 N N 0.337 119.078 118.700 0.068 0.000 2.184 1401 N HA 0.101 4.849 4.740 0.012 0.000 0.206 1401 N C 0.819 176.345 175.510 0.026 0.000 1.151 1401 N CA 0.551 53.625 53.050 0.039 0.000 0.878 1401 N CB 0.387 38.904 38.487 0.048 0.000 1.014 1401 N HN 0.335 nan 8.380 nan 0.000 0.512 1402 G N 0.465 109.286 108.800 0.035 0.000 2.491 1402 G HA2 0.237 4.204 3.960 0.012 0.000 0.242 1402 G HA3 0.237 4.204 3.960 0.012 0.000 0.242 1402 G C 1.257 176.141 174.900 -0.027 0.000 1.266 1402 G CA -0.433 44.679 45.100 0.019 0.000 0.844 1402 G HN -0.049 nan 8.290 nan 0.000 0.571 1403 V N 1.761 121.659 119.914 -0.027 0.000 2.594 1403 V HA -0.156 3.971 4.120 0.012 0.000 0.253 1403 V C 2.353 178.394 176.094 -0.088 0.000 1.069 1403 V CA 2.233 64.506 62.300 -0.044 0.000 1.082 1403 V CB -0.653 31.154 31.823 -0.027 0.000 0.680 1403 V HN 0.768 nan 8.190 nan 0.000 0.469 1404 D N 0.330 120.657 120.400 -0.120 0.000 2.077 1404 D HA -0.125 4.522 4.640 0.012 0.000 0.197 1404 D C 1.190 177.259 176.300 -0.384 0.000 0.983 1404 D CA 0.599 54.440 54.000 -0.265 0.000 0.841 1404 D CB -0.303 40.302 40.800 -0.325 0.000 0.992 1404 D HN 0.350 nan 8.370 nan 0.000 0.450 1405 R N -0.830 119.432 120.500 -0.396 0.000 1.272 1405 R HA -0.190 4.158 4.340 0.012 0.000 0.419 1405 R C -1.164 174.879 176.300 -0.428 0.000 1.318 1405 R CA 0.074 56.014 56.100 -0.267 0.000 1.012 1405 R CB -1.426 28.789 30.300 -0.142 0.000 3.123 1405 R HN 0.351 nan 8.270 nan 0.000 0.502 1406 Y N 4.135 124.447 120.300 0.021 0.000 2.500 1406 Y HA 0.482 5.040 4.550 0.012 0.000 0.246 1406 Y C 0.903 176.820 175.900 0.029 0.000 1.146 1406 Y CA 0.070 58.184 58.100 0.023 0.000 1.230 1406 Y CB 0.890 39.365 38.460 0.026 0.000 1.214 1406 Y HN 0.382 nan 8.280 nan 0.000 0.526 1407 I N -1.465 119.189 120.570 0.141 0.000 2.913 1407 I HA 0.149 4.326 4.170 0.012 0.000 0.302 1407 I C 0.364 176.527 176.117 0.077 0.000 1.246 1407 I CA -0.249 61.120 61.300 0.116 0.000 1.010 1407 I CB 2.427 40.505 38.000 0.131 0.000 1.259 1407 I HN -0.252 nan 8.210 nan 0.000 0.434 1408 S N 2.553 118.298 115.700 0.076 0.000 2.439 1408 S HA 0.113 4.590 4.470 0.012 0.000 0.224 1408 S C -0.049 174.561 174.600 0.018 0.000 1.029 1408 S CA 0.379 58.598 58.200 0.032 0.000 0.946 1408 S CB 0.105 63.315 63.200 0.018 0.000 0.797 1408 S HN 0.673 nan 8.310 nan 0.000 0.504 1409 K N -0.091 120.363 120.400 0.091 0.000 2.818 1409 K HA 0.246 4.573 4.320 0.012 0.000 0.287 1409 K C -1.947 174.781 176.600 0.214 0.000 1.061 1409 K CA -1.045 55.283 56.287 0.069 0.000 0.858 1409 K CB 0.372 32.811 32.500 -0.100 0.000 1.456 1409 K HN 0.149 nan 8.250 nan 0.000 0.364 1410 Y N -0.468 119.878 120.300 0.077 0.000 2.446 1410 Y HA 0.599 5.156 4.550 0.012 0.000 0.338 1410 Y C 0.657 176.608 175.900 0.086 0.000 1.055 1410 Y CA -0.790 57.339 58.100 0.049 0.000 1.101 1410 Y CB 2.121 40.542 38.460 -0.064 0.000 1.221 1410 Y HN 0.914 nan 8.280 nan 0.000 0.460 1411 E N 1.867 122.158 120.200 0.151 0.000 2.134 1411 E HA 0.104 4.461 4.350 0.012 0.000 0.194 1411 E C 0.038 176.701 176.600 0.105 0.000 0.937 1411 E CA 0.690 57.148 56.400 0.095 0.000 0.874 1411 E CB 0.186 29.974 29.700 0.147 0.000 0.853 1411 E HN 0.710 nan 8.360 nan 0.000 0.471 1412 L N 2.222 123.530 121.223 0.142 0.000 3.632 1412 L HA -0.179 4.168 4.340 0.012 0.000 0.510 1412 L C -1.528 175.390 176.870 0.080 0.000 1.299 1412 L CA 0.953 55.868 54.840 0.125 0.000 0.829 1412 L CB -1.272 40.901 42.059 0.191 0.000 1.559 1412 L HN 0.276 nan 8.230 nan 0.000 0.857 1413 D N 2.192 122.627 120.400 0.059 0.000 2.414 1413 D HA 0.318 4.965 4.640 0.012 0.000 0.232 1413 D C 0.201 176.516 176.300 0.025 0.000 1.070 1413 D CA -0.440 53.585 54.000 0.041 0.000 0.839 1413 D CB 0.925 41.751 40.800 0.044 0.000 1.079 1413 D HN 0.494 nan 8.370 nan 0.000 0.521 1420 N N 0.442 119.163 118.700 0.035 0.000 2.497 1420 N HA 0.158 4.905 4.740 0.012 0.000 0.268 1420 N C -0.561 174.984 175.510 0.058 0.000 1.171 1420 N CA -0.030 53.047 53.050 0.045 0.000 0.948 1420 N CB 1.451 39.979 38.487 0.068 0.000 1.069 1420 N HN 0.693 nan 8.380 nan 0.000 0.460 1421 T N 0.400 114.978 114.554 0.040 0.000 2.945 1421 T HA 0.490 4.847 4.350 0.012 0.000 0.286 1421 T C -0.406 174.327 174.700 0.056 0.000 1.025 1421 T CA -1.047 61.079 62.100 0.043 0.000 1.039 1421 T CB 1.248 70.125 68.868 0.014 0.000 1.068 1421 T HN 0.488 nan 8.240 nan 0.000 0.497 1422 L N 2.154 123.411 121.223 0.058 0.000 2.349 1422 L HA 0.691 5.038 4.340 0.012 0.000 0.278 1422 L C -1.359 175.518 176.870 0.012 0.000 0.996 1422 L CA -0.873 53.994 54.840 0.045 0.000 0.825 1422 L CB 0.967 43.046 42.059 0.032 0.000 1.243 1422 L HN 0.755 nan 8.230 nan 0.000 0.412 1423 I N 6.283 126.850 120.570 -0.005 0.000 2.339 1423 I HA 0.406 4.584 4.170 0.012 0.000 0.290 1423 I C -0.462 175.581 176.117 -0.124 0.000 0.994 1423 I CA -0.260 60.982 61.300 -0.098 0.000 1.191 1423 I CB 1.416 39.322 38.000 -0.156 0.000 1.343 1423 I HN 0.508 nan 8.210 nan 0.000 0.458 1424 I N 6.559 127.036 120.570 -0.155 0.000 2.362 1424 I HA 0.289 4.467 4.170 0.012 0.000 0.289 1424 I C -0.842 175.174 176.117 -0.169 0.000 0.994 1424 I CA -0.645 60.605 61.300 -0.083 0.000 1.158 1424 I CB 1.033 39.010 38.000 -0.039 0.000 1.315 1424 I HN 0.387 nan 8.210 nan 0.000 0.451 1425 Y N 6.511 126.802 120.300 -0.014 0.000 2.316 1425 Y HA 0.495 5.052 4.550 0.012 0.000 0.331 1425 Y C 0.012 175.892 175.900 -0.032 0.000 1.083 1425 Y CA -0.278 57.798 58.100 -0.040 0.000 1.206 1425 Y CB 0.868 39.294 38.460 -0.056 0.000 1.195 1425 Y HN 0.307 nan 8.280 nan 0.000 0.497 1426 L N 2.865 124.141 121.223 0.088 0.000 2.362 1426 L HA 0.354 4.701 4.340 0.012 0.000 0.271 1426 L C 0.092 176.986 176.870 0.040 0.000 1.002 1426 L CA -0.738 54.137 54.840 0.057 0.000 0.818 1426 L CB 1.928 44.007 42.059 0.034 0.000 1.298 1426 L HN 0.594 nan 8.230 nan 0.000 0.420 1427 D N 0.965 121.381 120.400 0.027 0.000 2.149 1427 D HA -0.041 4.607 4.640 0.012 0.000 0.201 1427 D C -0.164 176.136 176.300 0.001 0.000 0.972 1427 D CA 1.394 55.396 54.000 0.004 0.000 0.835 1427 D CB 0.286 41.083 40.800 -0.005 0.000 0.966 1427 D HN 0.445 nan 8.370 nan 0.000 0.476 1428 K N -2.028 118.381 120.400 0.015 0.000 2.579 1428 K HA 0.618 4.945 4.320 0.012 0.000 0.284 1428 K C -1.603 175.025 176.600 0.046 0.000 0.990 1428 K CA -0.934 55.361 56.287 0.014 0.000 0.880 1428 K CB 1.871 34.378 32.500 0.011 0.000 1.488 1428 K HN -0.270 nan 8.250 nan 0.000 0.425 1429 V N 0.848 120.794 119.914 0.052 0.000 2.443 1429 V HA 0.430 4.557 4.120 0.012 0.000 0.293 1429 V C -0.403 175.762 176.094 0.117 0.000 1.021 1429 V CA -0.861 61.510 62.300 0.118 0.000 0.848 1429 V CB 1.506 33.483 31.823 0.257 0.000 0.998 1429 V HN 0.859 nan 8.190 nan 0.000 0.424 1430 S N 2.374 118.136 115.700 0.102 0.000 2.552 1430 S HA 0.038 4.516 4.470 0.012 0.000 0.289 1430 S C 1.181 175.849 174.600 0.112 0.000 1.304 1430 S CA 0.359 58.604 58.200 0.074 0.000 1.063 1430 S CB 0.138 63.343 63.200 0.007 0.000 0.848 1430 S HN 1.040 nan 8.310 nan 0.000 0.499 1431 H N 2.079 121.196 119.070 0.078 0.000 2.563 1431 H HA 0.331 4.895 4.556 0.012 0.000 0.264 1431 H C 1.585 176.906 175.328 -0.011 0.000 0.957 1431 H CA 0.846 56.928 56.048 0.057 0.000 1.173 1431 H CB -0.047 29.767 29.762 0.086 0.000 1.420 1431 H HN 0.425 nan 8.280 nan 0.000 0.551 1432 S N -0.204 115.188 115.700 -0.513 0.000 2.377 1432 S HA 0.001 4.478 4.470 0.012 0.000 0.223 1432 S C 0.150 174.636 174.600 -0.189 0.000 1.030 1432 S CA 1.047 59.010 58.200 -0.395 0.000 0.970 1432 S CB -0.053 62.932 63.200 -0.357 0.000 0.830 1432 S HN 0.771 nan 8.310 nan 0.000 0.473 1433 E N 0.004 120.135 120.200 -0.115 0.000 2.430 1433 E HA 0.403 4.761 4.350 0.012 0.000 0.279 1433 E C -2.019 174.574 176.600 -0.011 0.000 1.003 1433 E CA -0.981 55.384 56.400 -0.057 0.000 0.801 1433 E CB 0.227 29.898 29.700 -0.048 0.000 1.313 1433 E HN -0.195 nan 8.360 nan 0.000 0.459 1434 D N 0.897 121.300 120.400 0.004 0.000 2.488 1434 D HA 0.057 4.705 4.640 0.012 0.000 0.238 1434 D C -0.610 175.712 176.300 0.036 0.000 1.138 1434 D CA 0.564 54.582 54.000 0.030 0.000 0.873 1434 D CB 0.520 41.334 40.800 0.023 0.000 1.183 1434 D HN 0.315 nan 8.370 nan 0.000 0.458 1435 D N 1.744 122.180 120.400 0.060 0.000 2.540 1435 D HA 0.146 4.793 4.640 0.012 0.000 0.251 1435 D C -0.415 175.918 176.300 0.055 0.000 1.159 1435 D CA -0.340 53.699 54.000 0.065 0.000 0.974 1435 D CB -0.019 40.834 40.800 0.088 0.000 0.996 1435 D HN 0.197 nan 8.370 nan 0.000 0.512 1436 c N 2.244 120.861 118.600 0.028 0.000 2.593 1436 c HA 0.579 5.157 4.570 0.012 0.000 0.409 1436 c C 0.194 174.270 174.090 -0.022 0.000 1.304 1436 c CA -0.691 55.637 56.329 -0.001 0.000 2.007 1436 c CB -1.154 41.340 42.510 -0.026 0.000 2.614 1436 c HN 0.452 nan 8.230 nan 0.000 0.585 1437 L N 1.809 123.019 121.223 -0.022 0.000 2.455 1437 L HA 0.967 5.314 4.340 0.012 0.000 0.264 1437 L C -0.391 176.466 176.870 -0.022 0.000 0.968 1437 L CA -0.539 54.277 54.840 -0.040 0.000 0.827 1437 L CB 1.087 43.162 42.059 0.027 0.000 1.317 1437 L HN 0.661 nan 8.230 nan 0.000 0.407 1438 A N 2.327 125.112 122.820 -0.059 0.000 2.386 1438 A HA 1.032 5.359 4.320 0.012 0.000 0.308 1438 A C -1.082 176.517 177.584 0.025 0.000 1.128 1438 A CA -0.534 51.433 52.037 -0.116 0.000 0.789 1438 A CB 1.462 20.354 19.000 -0.181 0.000 1.325 1438 A HN 1.242 nan 8.150 nan 0.000 0.437 1439 F N -1.903 117.956 119.950 -0.153 0.000 2.703 1439 F HA 0.699 5.234 4.527 0.012 0.000 0.308 1439 F C -0.829 174.869 175.800 -0.170 0.000 1.126 1439 F CA -1.146 56.762 58.000 -0.154 0.000 0.959 1439 F CB 1.045 39.953 39.000 -0.153 0.000 1.297 1439 F HN 0.451 nan 8.300 nan 0.000 0.441 1440 K N 1.815 122.214 120.400 -0.002 0.000 2.350 1440 K HA 0.588 4.915 4.320 0.012 0.000 0.279 1440 K C -0.823 175.696 176.600 -0.136 0.000 1.027 1440 K CA -0.289 55.912 56.287 -0.145 0.000 0.969 1440 K CB 1.163 33.549 32.500 -0.190 0.000 0.954 1440 K HN 0.736 nan 8.250 nan 0.000 0.474 1441 V N 0.557 120.358 119.914 -0.188 0.000 2.628 1441 V HA 0.507 4.634 4.120 0.012 0.000 0.306 1441 V C -0.761 175.292 176.094 -0.067 0.000 1.045 1441 V CA -0.822 61.444 62.300 -0.056 0.000 0.905 1441 V CB 1.479 33.339 31.823 0.062 0.000 0.997 1441 V HN 0.798 nan 8.190 nan 0.000 0.436 1442 H N 2.285 121.425 119.070 0.116 0.000 2.499 1442 H HA 0.544 5.107 4.556 0.012 0.000 0.340 1442 H C -0.542 174.545 175.328 -0.401 0.000 1.148 1442 H CA -0.494 55.428 56.048 -0.211 0.000 1.215 1442 H CB 2.060 31.511 29.762 -0.519 0.000 1.529 1442 H HN 0.782 nan 8.280 nan 0.000 0.510 1443 Q N 3.020 122.483 119.800 -0.562 0.000 2.462 1443 Q HA 0.107 4.454 4.340 0.012 0.000 0.247 1443 Q C -0.524 175.105 176.000 -0.620 0.000 1.044 1443 Q CA -0.436 54.825 55.803 -0.903 0.000 0.803 1443 Q CB 0.482 28.566 28.738 -1.091 0.000 1.190 1443 Q HN 0.788 nan 8.270 nan 0.000 0.507 1444 Y N 2.304 122.374 120.300 -0.383 0.000 2.519 1444 Y HA 0.063 4.620 4.550 0.012 0.000 0.287 1444 Y C -0.217 175.163 175.900 -0.867 0.000 1.128 1444 Y CA 0.504 58.266 58.100 -0.563 0.000 1.282 1444 Y CB 0.566 38.663 38.460 -0.606 0.000 1.027 1444 Y HN 0.410 nan 8.280 nan 0.000 0.551 1445 F N 0.193 120.129 119.950 -0.023 0.000 2.540 1445 F HA 0.319 4.853 4.527 0.012 0.000 0.317 1445 F C -0.554 175.189 175.800 -0.095 0.000 1.104 1445 F CA -1.950 56.027 58.000 -0.038 0.000 0.913 1445 F CB 0.809 39.808 39.000 -0.001 0.000 1.170 1445 F HN -0.160 nan 8.300 nan 0.000 0.450 1446 N N 1.579 120.336 118.700 0.094 0.000 2.470 1446 N HA 0.450 5.197 4.740 0.012 0.000 0.268 1446 N C -0.967 174.586 175.510 0.071 0.000 1.136 1446 N CA -0.515 52.556 53.050 0.035 0.000 0.961 1446 N CB 1.742 40.236 38.487 0.012 0.000 1.067 1446 N HN 0.594 nan 8.380 nan 0.000 0.468 1447 V N -0.201 119.752 119.914 0.066 0.000 2.962 1447 V HA 0.633 4.761 4.120 0.012 0.000 0.313 1447 V C -1.290 174.851 176.094 0.078 0.000 1.099 1447 V CA -0.769 61.579 62.300 0.080 0.000 0.971 1447 V CB 2.184 34.069 31.823 0.103 0.000 1.028 1447 V HN 0.685 nan 8.190 nan 0.000 0.430 1448 E N 3.627 123.867 120.200 0.067 0.000 2.212 1448 E HA 0.789 5.146 4.350 0.012 0.000 0.268 1448 E C -0.584 176.060 176.600 0.074 0.000 0.902 1448 E CA -0.466 55.972 56.400 0.063 0.000 0.779 1448 E CB 1.497 31.220 29.700 0.038 0.000 1.172 1448 E HN 0.808 nan 8.360 nan 0.000 0.409 1449 L N 2.034 123.308 121.223 0.086 0.000 3.754 1449 L HA -0.203 4.144 4.340 0.012 0.000 0.410 1449 L C -0.289 176.655 176.870 0.123 0.000 1.230 1449 L CA 0.770 55.667 54.840 0.094 0.000 0.901 1449 L CB -2.297 39.797 42.059 0.059 0.000 1.982 1449 L HN 0.611 nan 8.230 nan 0.000 0.822 1450 I N -1.974 118.694 120.570 0.164 0.000 2.648 1450 I HA 0.300 4.477 4.170 0.012 0.000 0.284 1450 I C 1.030 177.263 176.117 0.194 0.000 1.153 1450 I CA -0.423 60.987 61.300 0.184 0.000 1.426 1450 I CB 0.347 38.474 38.000 0.212 0.000 1.381 1450 I HN 0.074 nan 8.210 nan 0.000 0.571 1451 Q N 5.514 125.390 119.800 0.126 0.000 2.299 1451 Q HA 0.398 4.745 4.340 0.012 0.000 0.246 1451 Q C -2.264 173.775 176.000 0.064 0.000 0.935 1451 Q CA -2.034 53.802 55.803 0.054 0.000 0.887 1451 Q CB 0.231 28.978 28.738 0.016 0.000 1.223 1451 Q HN 0.469 nan 8.270 nan 0.000 0.439 1452 P HA -0.024 nan 4.420 nan 0.000 0.264 1452 P C -0.059 177.157 177.300 -0.140 0.000 1.183 1452 P CA 0.360 63.439 63.100 -0.036 0.000 0.763 1452 P CB 0.370 32.072 31.700 0.002 0.000 0.807 1453 G N 2.057 110.502 108.800 -0.590 0.000 2.444 1453 G HA2 0.509 4.476 3.960 0.012 0.000 0.268 1453 G HA3 0.509 4.476 3.960 0.012 0.000 0.268 1453 G C -0.558 173.959 174.900 -0.639 0.000 1.203 1453 G CA -0.250 44.434 45.100 -0.694 0.000 0.835 1453 G HN 0.614 nan 8.290 nan 0.000 0.543 1454 A N 0.467 123.111 122.820 -0.294 0.000 2.294 1454 A HA 0.791 5.118 4.320 0.012 0.000 0.330 1454 A C -0.582 176.922 177.584 -0.134 0.000 1.133 1454 A CA -0.516 51.275 52.037 -0.410 0.000 0.836 1454 A CB 1.712 20.378 19.000 -0.557 0.000 1.190 1454 A HN 0.980 nan 8.150 nan 0.000 0.492 1455 V N 1.112 120.920 119.914 -0.176 0.000 2.709 1455 V HA 0.548 4.675 4.120 0.012 0.000 0.308 1455 V C -0.347 175.677 176.094 -0.117 0.000 1.062 1455 V CA -0.648 61.621 62.300 -0.053 0.000 0.901 1455 V CB 1.889 33.733 31.823 0.034 0.000 1.003 1455 V HN 0.945 nan 8.190 nan 0.000 0.425 1456 K N 3.259 123.621 120.400 -0.063 0.000 2.507 1456 K HA 0.748 5.075 4.320 0.012 0.000 0.252 1456 K C -0.905 175.699 176.600 0.006 0.000 0.943 1456 K CA -0.553 55.710 56.287 -0.040 0.000 0.808 1456 K CB 2.063 34.537 32.500 -0.043 0.000 1.142 1456 K HN 0.650 nan 8.250 nan 0.000 0.426 1457 V N 1.545 121.415 119.914 -0.075 0.000 2.716 1457 V HA 0.781 4.909 4.120 0.012 0.000 0.304 1457 V C -0.963 174.972 176.094 -0.264 0.000 1.053 1457 V CA -0.402 61.740 62.300 -0.263 0.000 0.984 1457 V CB 0.486 32.041 31.823 -0.446 0.000 1.021 1457 V HN 0.842 nan 8.190 nan 0.000 0.467 1458 Y N 0.582 120.533 120.300 -0.582 0.000 2.583 1458 Y HA 0.780 5.338 4.550 0.012 0.000 0.330 1458 Y C -0.373 175.410 175.900 -0.194 0.000 1.185 1458 Y CA -0.981 56.865 58.100 -0.424 0.000 1.107 1458 Y CB 0.643 38.994 38.460 -0.182 0.000 1.344 1458 Y HN 1.057 nan 8.280 nan 0.000 0.463 1459 A N 2.630 125.550 122.820 0.166 0.000 2.451 1459 A HA 0.179 4.506 4.320 0.012 0.000 0.266 1459 A C 0.295 178.018 177.584 0.231 0.000 1.119 1459 A CA -0.185 51.989 52.037 0.229 0.000 0.786 1459 A CB -0.336 18.890 19.000 0.377 0.000 1.061 1459 A HN 1.018 nan 8.150 nan 0.000 0.503 1460 Y N 2.613 122.945 120.300 0.054 0.000 2.241 1460 Y HA -0.311 4.246 4.550 0.012 0.000 0.286 1460 Y C 1.682 177.728 175.900 0.244 0.000 1.166 1460 Y CA 2.924 61.099 58.100 0.126 0.000 1.203 1460 Y CB -0.167 38.333 38.460 0.065 0.000 0.977 1460 Y HN 0.858 nan 8.280 nan 0.000 0.529 1461 Y N -1.312 119.113 120.300 0.209 0.000 2.442 1461 Y HA 0.294 4.851 4.550 0.012 0.000 0.250 1461 Y C -0.089 175.876 175.900 0.108 0.000 1.113 1461 Y CA -0.134 58.062 58.100 0.160 0.000 1.273 1461 Y CB 0.337 38.895 38.460 0.164 0.000 1.138 1461 Y HN -0.042 nan 8.280 nan 0.000 0.522 1462 N N 1.536 120.399 118.700 0.272 0.000 2.727 1462 N HA 0.169 4.916 4.740 0.012 0.000 0.252 1462 N C 0.223 175.827 175.510 0.156 0.000 1.283 1462 N CA -0.195 52.918 53.050 0.105 0.000 0.782 1462 N CB 0.453 39.133 38.487 0.321 0.000 1.199 1462 N HN 0.309 nan 8.380 nan 0.000 0.520 1463 L N 0.798 122.056 121.223 0.058 0.000 2.191 1463 L HA -0.084 4.263 4.340 0.012 0.000 0.212 1463 L C 1.305 178.211 176.870 0.061 0.000 1.103 1463 L CA 1.194 56.068 54.840 0.056 0.000 0.769 1463 L CB -0.262 41.748 42.059 -0.083 0.000 0.908 1463 L HN 0.502 nan 8.230 nan 0.000 0.438 1464 E N 0.590 120.822 120.200 0.054 0.000 2.273 1464 E HA -0.185 4.172 4.350 0.012 0.000 0.198 1464 E C 0.456 177.136 176.600 0.134 0.000 1.002 1464 E CA 0.732 57.172 56.400 0.067 0.000 0.828 1464 E CB -0.027 29.702 29.700 0.049 0.000 0.747 1464 E HN 0.596 nan 8.360 nan 0.000 0.491 1465 E N 0.312 120.644 120.200 0.221 0.000 2.092 1465 E HA 0.427 4.785 4.350 0.012 0.000 0.271 1465 E C -0.591 176.275 176.600 0.442 0.000 0.919 1465 E CA -0.493 56.114 56.400 0.346 0.000 0.760 1465 E CB 1.405 31.363 29.700 0.429 0.000 1.106 1465 E HN 0.026 nan 8.360 nan 0.000 0.408 1466 S N 1.806 117.728 115.700 0.371 0.000 2.672 1466 S HA 0.655 5.133 4.470 0.012 0.000 0.271 1466 S C -1.209 173.509 174.600 0.197 0.000 1.171 1466 S CA -0.948 57.377 58.200 0.209 0.000 0.817 1466 S CB 1.869 65.126 63.200 0.095 0.000 1.150 1466 S HN 0.751 nan 8.310 nan 0.000 0.478 1467 c N 1.385 120.032 118.600 0.077 0.000 3.046 1467 c HA 0.744 5.321 4.570 0.012 0.000 0.388 1467 c C -1.311 172.787 174.090 0.014 0.000 1.041 1467 c CA 0.095 56.476 56.329 0.087 0.000 1.241 1467 c CB 0.547 43.154 42.510 0.161 0.000 1.638 1467 c HN 1.007 nan 8.230 nan 0.000 0.539 1468 T N 5.169 119.725 114.554 0.005 0.000 2.791 1468 T HA 0.652 5.009 4.350 0.012 0.000 0.288 1468 T C -0.511 174.144 174.700 -0.075 0.000 0.999 1468 T CA -0.429 61.622 62.100 -0.082 0.000 0.952 1468 T CB 1.143 69.951 68.868 -0.100 0.000 0.938 1468 T HN 0.697 nan 8.240 nan 0.000 0.444 1469 R N 1.459 121.867 120.500 -0.153 0.000 2.750 1469 R HA 0.746 5.093 4.340 0.012 0.000 0.281 1469 R C -1.414 174.752 176.300 -0.222 0.000 0.972 1469 R CA -0.654 55.416 56.100 -0.050 0.000 0.912 1469 R CB 1.272 31.598 30.300 0.042 0.000 1.187 1469 R HN 0.472 nan 8.270 nan 0.000 0.464 1470 F N 2.194 122.165 119.950 0.036 0.000 2.492 1470 F HA 0.436 4.970 4.527 0.012 0.000 0.327 1470 F C -0.352 175.483 175.800 0.058 0.000 1.079 1470 F CA -0.709 57.287 58.000 -0.008 0.000 0.967 1470 F CB 1.247 40.208 39.000 -0.065 0.000 1.169 1470 F HN 0.406 nan 8.300 nan 0.000 0.472 1471 Y N -0.011 120.385 120.300 0.160 0.000 2.485 1471 Y HA 0.798 5.355 4.550 0.012 0.000 0.345 1471 Y C -1.205 174.774 175.900 0.132 0.000 0.998 1471 Y CA -1.381 56.770 58.100 0.085 0.000 1.059 1471 Y CB 1.497 39.942 38.460 -0.026 0.000 1.234 1471 Y HN 0.724 nan 8.280 nan 0.000 0.461 1472 H N 1.881 121.027 119.070 0.126 0.000 3.129 1472 H HA 0.403 4.966 4.556 0.012 0.000 0.342 1472 H C -3.241 172.117 175.328 0.050 0.000 1.092 1472 H CA -2.100 53.971 56.048 0.039 0.000 1.310 1472 H CB 2.555 32.314 29.762 -0.005 0.000 1.932 1472 H HN 0.484 nan 8.280 nan 0.000 0.507 1473 P HA 0.052 nan 4.420 nan 0.000 0.254 1473 P C -0.176 177.039 177.300 -0.142 0.000 1.186 1473 P CA 1.081 64.040 63.100 -0.234 0.000 0.868 1473 P CB 0.292 31.827 31.700 -0.275 0.000 0.856 1474 E N 2.545 122.718 120.200 -0.045 0.000 1.143 1474 E HA -0.037 4.320 4.350 0.012 0.000 0.207 1474 E C -0.827 175.774 176.600 0.002 0.000 1.025 1474 E CA 0.048 56.438 56.400 -0.017 0.000 0.914 1474 E CB -0.506 29.195 29.700 0.001 0.000 4.858 1474 E HN 0.006 nan 8.360 nan 0.000 0.607 1475 K N 1.149 121.558 120.400 0.017 0.000 3.186 1475 K HA -0.059 4.268 4.320 0.012 0.000 0.992 1475 K C -1.924 174.703 176.600 0.045 0.000 1.173 1475 K CA 1.218 57.533 56.287 0.046 0.000 1.156 1475 K CB -1.391 31.165 32.500 0.093 0.000 3.174 1475 K HN 0.336 nan 8.250 nan 0.000 0.166 1476 E N 3.605 123.832 120.200 0.043 0.000 2.282 1476 E HA 0.479 4.836 4.350 0.012 0.000 0.247 1476 E C -0.874 175.776 176.600 0.083 0.000 1.113 1476 E CA -0.871 55.553 56.400 0.040 0.000 1.095 1476 E CB 0.391 30.099 29.700 0.014 0.000 1.328 1476 E HN 0.394 nan 8.360 nan 0.000 0.463 1477 D N 0.488 120.973 120.400 0.143 0.000 8.934 1477 D HA -0.005 4.642 4.640 0.012 0.000 0.238 1477 D C -0.236 176.172 176.300 0.181 0.000 2.422 1477 D CA 0.117 54.228 54.000 0.185 0.000 2.501 1477 D CB -0.287 40.601 40.800 0.146 0.000 3.027 1477 D HN 0.422 nan 8.370 nan 0.000 0.774 1478 G N 0.636 109.555 108.800 0.198 0.000 2.507 1478 G HA2 0.567 4.535 3.960 0.012 0.000 0.271 1478 G HA3 0.567 4.535 3.960 0.012 0.000 0.271 1478 G C -0.410 174.462 174.900 -0.047 0.000 1.189 1478 G CA -0.184 44.966 45.100 0.083 0.000 0.859 1478 G HN 0.374 nan 8.290 nan 0.000 0.542 1479 K N 1.174 121.464 120.400 -0.184 0.000 2.767 1479 K HA 0.247 4.574 4.320 0.012 0.000 0.286 1479 K C 0.725 177.170 176.600 -0.258 0.000 1.177 1479 K CA -0.552 55.609 56.287 -0.209 0.000 1.078 1479 K CB 0.401 32.834 32.500 -0.111 0.000 1.358 1479 K HN 0.266 nan 8.250 nan 0.000 0.531 1480 L N 1.671 122.722 121.223 -0.287 0.000 2.114 1480 L HA -0.266 4.082 4.340 0.012 0.000 0.245 1480 L C 0.435 177.179 176.870 -0.211 0.000 1.114 1480 L CA 1.831 56.517 54.840 -0.257 0.000 0.843 1480 L CB -0.567 41.383 42.059 -0.181 0.000 0.945 1480 L HN 0.844 nan 8.230 nan 0.000 0.446 1481 N N -1.032 117.595 118.700 -0.123 0.000 6.519 1481 N HA 0.134 4.881 4.740 0.012 0.000 0.115 1481 N C -1.665 173.869 175.510 0.039 0.000 0.957 1481 N CA -0.371 52.642 53.050 -0.063 0.000 1.205 1481 N CB 0.713 39.138 38.487 -0.103 0.000 1.393 1481 N HN 0.397 nan 8.380 nan 0.000 1.202 1482 K N 0.676 121.151 120.400 0.126 0.000 2.501 1482 K HA 0.500 4.827 4.320 0.012 0.000 0.252 1482 K C -1.149 175.525 176.600 0.124 0.000 0.934 1482 K CA -0.951 55.401 56.287 0.109 0.000 0.797 1482 K CB 2.447 34.977 32.500 0.051 0.000 1.270 1482 K HN 0.173 nan 8.250 nan 0.000 0.431 1483 L N 3.249 124.445 121.223 -0.045 0.000 2.397 1483 L HA 0.333 4.680 4.340 0.012 0.000 0.263 1483 L C -1.334 175.517 176.870 -0.032 0.000 1.136 1483 L CA -0.227 54.435 54.840 -0.296 0.000 1.019 1483 L CB 0.367 41.972 42.059 -0.757 0.000 1.352 1483 L HN 0.881 nan 8.230 nan 0.000 0.420 1484 c N 5.279 123.918 118.600 0.064 0.000 2.329 1484 c HA 0.857 5.434 4.570 0.012 0.000 0.329 1484 c C 0.030 174.216 174.090 0.160 0.000 1.275 1484 c CA -0.661 55.759 56.329 0.151 0.000 1.726 1484 c CB 0.391 42.956 42.510 0.091 0.000 2.291 1484 c HN 0.931 nan 8.230 nan 0.000 0.514 1485 R N 4.380 124.987 120.500 0.178 0.000 2.476 1485 R HA 0.625 4.973 4.340 0.012 0.000 0.305 1485 R C 0.268 176.583 176.300 0.025 0.000 0.965 1485 R CA -0.195 55.957 56.100 0.087 0.000 0.867 1485 R CB 0.638 30.987 30.300 0.082 0.000 1.176 1485 R HN 0.806 nan 8.270 nan 0.000 0.447 1486 D N 2.058 122.469 120.400 0.019 0.000 4.508 1486 D HA -0.295 4.352 4.640 0.012 0.000 0.178 1486 D C 0.328 176.635 176.300 0.012 0.000 0.644 1486 D CA 2.262 56.266 54.000 0.006 0.000 1.244 1486 D CB -0.548 40.243 40.800 -0.015 0.000 0.727 1486 D HN 0.823 nan 8.370 nan 0.000 0.495 1487 E N -0.134 120.068 120.200 0.003 0.000 2.332 1487 E HA 0.243 4.600 4.350 0.012 0.000 0.202 1487 E C 0.844 177.454 176.600 0.016 0.000 0.877 1487 E CA -0.220 56.185 56.400 0.008 0.000 0.979 1487 E CB 0.872 30.571 29.700 -0.001 0.000 0.969 1487 E HN 0.236 nan 8.360 nan 0.000 0.495 1488 L N 2.188 123.414 121.223 0.005 0.000 2.361 1488 L HA 0.151 4.499 4.340 0.012 0.000 0.278 1488 L C -0.594 176.327 176.870 0.086 0.000 1.113 1488 L CA -0.310 54.541 54.840 0.017 0.000 0.849 1488 L CB 0.263 42.298 42.059 -0.040 0.000 1.155 1488 L HN 0.141 nan 8.230 nan 0.000 0.452 1489 c N 4.132 122.802 118.600 0.117 0.000 2.564 1489 c HA 0.746 5.323 4.570 0.012 0.000 0.381 1489 c C -0.095 174.132 174.090 0.228 0.000 1.297 1489 c CA -1.059 55.375 56.329 0.174 0.000 1.846 1489 c CB 1.715 44.284 42.510 0.099 0.000 2.198 1489 c HN 0.698 nan 8.230 nan 0.000 0.507 1490 R N -0.325 120.277 120.500 0.171 0.000 2.744 1490 R HA 0.402 4.749 4.340 0.012 0.000 0.279 1490 R C -1.479 174.836 176.300 0.026 0.000 0.977 1490 R CA -0.355 55.802 56.100 0.095 0.000 0.906 1490 R CB 1.585 31.854 30.300 -0.053 0.000 1.197 1490 R HN 0.863 nan 8.270 nan 0.000 0.463 1491 c N 2.551 121.171 118.600 0.034 0.000 2.322 1491 c HA 0.556 5.133 4.570 0.012 0.000 0.343 1491 c C 0.406 174.509 174.090 0.022 0.000 1.190 1491 c CA -0.308 56.041 56.329 0.032 0.000 1.704 1491 c CB -0.960 41.578 42.510 0.047 0.000 2.293 1491 c HN 0.599 nan 8.230 nan 0.000 0.523 1492 A N 4.897 127.735 122.820 0.031 0.000 2.412 1492 A HA 0.590 4.917 4.320 0.012 0.000 0.334 1492 A C 0.382 177.981 177.584 0.024 0.000 1.419 1492 A CA -0.047 52.020 52.037 0.050 0.000 0.930 1492 A CB 0.206 19.296 19.000 0.150 0.000 1.149 1492 A HN 0.911 nan 8.150 nan 0.000 0.515 1493 E N 1.420 121.628 120.200 0.015 0.000 2.614 1493 E HA 0.122 4.479 4.350 0.012 0.000 0.192 1493 E C -0.097 176.503 176.600 0.000 0.000 0.930 1493 E CA 0.134 56.533 56.400 -0.001 0.000 1.346 1493 E CB 0.107 29.801 29.700 -0.010 0.000 1.252 1493 E HN 0.687 nan 8.360 nan 0.000 0.647 1494 E N 0.520 120.723 120.200 0.005 0.000 2.428 1494 E HA 0.171 4.528 4.350 0.012 0.000 0.257 1494 E C -0.244 176.355 176.600 -0.001 0.000 1.197 1494 E CA 0.051 56.449 56.400 -0.003 0.000 0.974 1494 E CB 0.223 29.924 29.700 0.001 0.000 0.976 1494 E HN 0.144 nan 8.360 nan 0.000 0.463 1495 N N -0.218 118.471 118.700 -0.017 0.000 2.344 1495 N HA -0.081 4.667 4.740 0.012 0.000 0.236 1495 N C 0.406 175.907 175.510 -0.015 0.000 1.279 1495 N CA -0.157 52.871 53.050 -0.038 0.000 0.882 1495 N CB 0.262 38.702 38.487 -0.079 0.000 1.110 1495 N HN 0.433 nan 8.380 nan 0.000 0.436 1496 c N 0.471 119.054 118.600 -0.028 0.000 2.359 1496 c HA -0.123 4.454 4.570 0.012 0.000 0.279 1496 c C 0.674 174.871 174.090 0.178 0.000 1.191 1496 c CA 1.053 57.426 56.329 0.074 0.000 1.764 1496 c CB -1.429 41.125 42.510 0.073 0.000 2.026 1496 c HN 0.774 nan 8.230 nan 0.000 0.442 1497 F N -3.746 116.161 119.950 -0.073 0.000 2.678 1497 F HA 0.568 5.102 4.527 0.012 0.000 0.308 1497 F C -0.717 175.007 175.800 -0.126 0.000 1.118 1497 F CA -1.586 56.349 58.000 -0.108 0.000 0.959 1497 F CB 0.063 38.958 39.000 -0.175 0.000 1.305 1497 F HN -0.080 nan 8.300 nan 0.000 0.443 1498 I N 2.634 123.200 120.570 -0.006 0.000 3.311 1498 I HA -0.160 4.017 4.170 0.012 0.000 0.304 1498 I C 0.280 176.232 176.117 -0.275 0.000 1.245 1498 I CA 0.818 62.084 61.300 -0.057 0.000 1.369 1498 I CB -0.199 37.879 38.000 0.129 0.000 1.433 1498 I HN 0.614 nan 8.210 nan 0.000 0.525 1499 Q N 6.509 126.105 119.800 -0.340 0.000 2.301 1499 Q HA -0.006 4.341 4.340 0.012 0.000 0.262 1499 Q C 0.877 176.733 176.000 -0.240 0.000 1.168 1499 Q CA 0.429 55.972 55.803 -0.434 0.000 0.908 1499 Q CB 0.546 29.088 28.738 -0.326 0.000 1.348 1499 Q HN 0.419 nan 8.270 nan 0.000 0.441 1500 K N 1.491 121.733 120.400 -0.263 0.000 1.965 1500 K HA -0.065 4.262 4.320 0.012 0.000 0.218 1500 K C 0.249 176.800 176.600 -0.081 0.000 1.048 1500 K CA 1.097 57.299 56.287 -0.142 0.000 0.960 1500 K CB -0.123 32.277 32.500 -0.167 0.000 0.732 1500 K HN 0.719 nan 8.250 nan 0.000 0.444 1501 S N -0.159 115.485 115.700 -0.092 0.000 3.639 1501 S HA -0.275 4.202 4.470 0.012 0.000 0.692 1501 S C 0.440 175.025 174.600 -0.025 0.000 2.071 1501 S CA 0.496 58.661 58.200 -0.058 0.000 2.168 1501 S CB -0.582 62.581 63.200 -0.063 0.000 0.330 1501 S HN 0.817 nan 8.310 nan 0.000 1.393 1502 D N 0.393 120.783 120.400 -0.017 0.000 2.628 1502 D HA -0.288 4.360 4.640 0.012 0.000 0.161 1502 D C 0.228 176.528 176.300 0.000 0.000 1.667 1502 D CA 2.471 56.469 54.000 -0.004 0.000 1.663 1502 D CB -0.931 39.872 40.800 0.005 0.000 1.324 1502 D HN 0.933 nan 8.370 nan 0.000 0.418 1503 D N -0.602 119.798 120.400 -0.000 0.000 2.837 1503 D HA -0.194 4.453 4.640 0.012 0.000 0.230 1503 D C 1.195 177.506 176.300 0.018 0.000 1.152 1503 D CA 1.354 55.356 54.000 0.003 0.000 0.736 1503 D CB -0.292 40.505 40.800 -0.004 0.000 1.084 1503 D HN 0.409 nan 8.370 nan 0.000 0.429 1504 K N -0.396 120.022 120.400 0.030 0.000 1.979 1504 K HA 0.061 4.388 4.320 0.012 0.000 0.213 1504 K C 0.842 177.477 176.600 0.058 0.000 1.036 1504 K CA 1.208 57.518 56.287 0.038 0.000 0.954 1504 K CB -0.279 32.246 32.500 0.041 0.000 0.743 1504 K HN 0.158 nan 8.250 nan 0.000 0.443 1505 V N 2.252 122.226 119.914 0.099 0.000 6.016 1505 V HA -0.213 3.914 4.120 0.012 0.000 0.265 1505 V C 0.415 176.566 176.094 0.096 0.000 0.621 1505 V CA 1.005 63.399 62.300 0.158 0.000 0.592 1505 V CB -2.658 29.279 31.823 0.189 0.000 0.298 1505 V HN 0.618 nan 8.190 nan 0.000 0.615 1506 T N -0.247 114.349 114.554 0.069 0.000 2.788 1506 T HA 0.560 4.917 4.350 0.012 0.000 0.287 1506 T C 1.127 175.845 174.700 0.030 0.000 1.007 1506 T CA -0.108 62.015 62.100 0.038 0.000 1.005 1506 T CB 1.909 70.794 68.868 0.029 0.000 1.012 1506 T HN 0.286 nan 8.240 nan 0.000 0.530 1507 L N 0.267 121.504 121.223 0.023 0.000 2.093 1507 L HA -0.045 4.302 4.340 0.012 0.000 0.208 1507 L C 2.203 179.102 176.870 0.049 0.000 1.085 1507 L CA 2.019 56.882 54.840 0.039 0.000 0.755 1507 L CB -1.277 40.807 42.059 0.042 0.000 0.904 1507 L HN 0.767 nan 8.230 nan 0.000 0.435 1508 E N 0.199 120.415 120.200 0.027 0.000 2.153 1508 E HA -0.231 4.126 4.350 0.012 0.000 0.194 1508 E C 2.041 178.649 176.600 0.013 0.000 0.988 1508 E CA 1.231 57.640 56.400 0.015 0.000 0.811 1508 E CB -0.062 29.641 29.700 0.005 0.000 0.746 1508 E HN 0.516 nan 8.360 nan 0.000 0.466 1509 E N 0.142 120.354 120.200 0.020 0.000 2.208 1509 E HA -0.062 4.295 4.350 0.012 0.000 0.193 1509 E C 1.876 178.466 176.600 -0.016 0.000 0.988 1509 E CA 0.493 56.906 56.400 0.022 0.000 0.828 1509 E CB 0.173 29.909 29.700 0.059 0.000 0.763 1509 E HN 0.098 nan 8.360 nan 0.000 0.478 1510 R N -0.103 120.373 120.500 -0.041 0.000 2.073 1510 R HA -0.054 4.293 4.340 0.012 0.000 0.229 1510 R C 2.328 178.613 176.300 -0.025 0.000 1.120 1510 R CA 0.889 56.902 56.100 -0.145 0.000 0.967 1510 R CB -0.161 29.991 30.300 -0.248 0.000 0.862 1510 R HN 0.224 nan 8.270 nan 0.000 0.436 1511 L N 0.671 121.938 121.223 0.073 0.000 2.141 1511 L HA -0.173 4.174 4.340 0.012 0.000 0.209 1511 L C 1.602 178.422 176.870 -0.083 0.000 1.094 1511 L CA 0.961 55.812 54.840 0.019 0.000 0.763 1511 L CB -0.441 41.611 42.059 -0.010 0.000 0.908 1511 L HN 0.128 nan 8.230 nan 0.000 0.437 1512 D N 0.532 120.892 120.400 -0.066 0.000 2.144 1512 D HA -0.136 4.511 4.640 0.012 0.000 0.200 1512 D C 2.109 178.352 176.300 -0.095 0.000 0.978 1512 D CA 1.237 55.197 54.000 -0.066 0.000 0.833 1512 D CB 0.029 40.812 40.800 -0.029 0.000 0.961 1512 D HN 0.352 nan 8.370 nan 0.000 0.470 1513 K N 0.403 120.732 120.400 -0.119 0.000 2.262 1513 K HA 0.191 4.518 4.320 0.012 0.000 0.200 1513 K C 1.879 178.279 176.600 -0.333 0.000 1.049 1513 K CA 0.549 56.778 56.287 -0.096 0.000 0.979 1513 K CB 0.297 32.832 32.500 0.058 0.000 0.773 1513 K HN -0.040 nan 8.250 nan 0.000 0.474 1514 A N 0.258 122.681 122.820 -0.662 0.000 2.206 1514 A HA -0.046 4.281 4.320 0.012 0.000 0.211 1514 A C 1.667 178.928 177.584 -0.539 0.000 1.158 1514 A CA 0.588 52.000 52.037 -1.042 0.000 0.761 1514 A CB -0.405 17.988 19.000 -1.011 0.000 0.801 1514 A HN 0.334 nan 8.150 nan 0.000 0.473 1515 c N -0.224 118.180 118.600 -0.326 0.000 2.906 1515 c HA 0.240 4.817 4.570 0.012 0.000 0.274 1515 c C 0.867 174.868 174.090 -0.148 0.000 1.257 1515 c CA -0.524 55.679 56.329 -0.210 0.000 1.695 1515 c CB -1.219 41.197 42.510 -0.156 0.000 1.958 1515 c HN 0.664 nan 8.230 nan 0.000 0.619 1516 E N 2.815 122.928 120.200 -0.144 0.000 2.652 1516 E HA -0.037 4.320 4.350 0.012 0.000 0.255 1516 E C -1.061 175.492 176.600 -0.077 0.000 0.952 1516 E CA -1.068 55.282 56.400 -0.084 0.000 0.947 1516 E CB 0.627 30.297 29.700 -0.050 0.000 0.912 1516 E HN 0.235 nan 8.360 nan 0.000 0.489 1517 P HA -0.192 nan 4.420 nan 0.000 0.219 1517 P C 1.025 178.309 177.300 -0.026 0.000 1.144 1517 P CA 1.642 64.721 63.100 -0.035 0.000 0.806 1517 P CB 0.147 31.835 31.700 -0.020 0.000 0.771 1518 G N 0.129 108.915 108.800 -0.024 0.000 2.403 1518 G HA2 -0.092 3.875 3.960 0.012 0.000 0.216 1518 G HA3 -0.092 3.875 3.960 0.012 0.000 0.216 1518 G C 0.539 175.420 174.900 -0.031 0.000 1.154 1518 G CA -0.003 45.089 45.100 -0.013 0.000 0.784 1518 G HN 0.190 nan 8.290 nan 0.000 0.538 1519 V N 2.027 121.898 119.914 -0.072 0.000 2.452 1519 V HA 0.004 4.131 4.120 0.012 0.000 0.286 1519 V C 1.184 177.217 176.094 -0.100 0.000 0.995 1519 V CA 0.716 62.936 62.300 -0.133 0.000 1.116 1519 V CB 0.902 32.561 31.823 -0.273 0.000 0.954 1519 V HN 0.286 nan 8.190 nan 0.000 0.473 1520 D N 3.564 123.924 120.400 -0.066 0.000 2.369 1520 D HA 0.056 4.704 4.640 0.012 0.000 0.231 1520 D C 0.387 176.765 176.300 0.131 0.000 0.967 1520 D CA 0.695 54.740 54.000 0.076 0.000 0.905 1520 D CB 0.338 41.249 40.800 0.186 0.000 1.044 1520 D HN 0.644 nan 8.370 nan 0.000 0.487 1521 Y N -1.255 119.057 120.300 0.020 0.000 2.468 1521 Y HA 0.676 5.233 4.550 0.012 0.000 0.342 1521 Y C -1.070 174.751 175.900 -0.131 0.000 1.021 1521 Y CA -1.393 56.632 58.100 -0.125 0.000 1.079 1521 Y CB 1.635 39.933 38.460 -0.270 0.000 1.226 1521 Y HN -0.308 nan 8.280 nan 0.000 0.460 1522 V N 4.395 124.258 119.914 -0.086 0.000 2.445 1522 V HA 0.269 4.396 4.120 0.012 0.000 0.283 1522 V C -1.300 174.937 176.094 0.239 0.000 1.014 1522 V CA -0.812 61.554 62.300 0.109 0.000 0.852 1522 V CB -0.103 31.809 31.823 0.149 0.000 1.021 1522 V HN 0.698 nan 8.190 nan 0.000 0.435 1523 Y N 2.154 122.739 120.300 0.474 0.000 2.453 1523 Y HA 0.581 5.138 4.550 0.012 0.000 0.326 1523 Y C 0.480 176.555 175.900 0.292 0.000 1.186 1523 Y CA -1.713 56.590 58.100 0.339 0.000 1.200 1523 Y CB 1.305 39.945 38.460 0.301 0.000 1.247 1523 Y HN 0.362 nan 8.280 nan 0.000 0.482 1524 K N 2.526 123.140 120.400 0.357 0.000 2.389 1524 K HA 0.315 4.642 4.320 0.012 0.000 0.261 1524 K C -0.850 175.790 176.600 0.068 0.000 1.014 1524 K CA -0.207 56.172 56.287 0.152 0.000 0.920 1524 K CB 0.490 32.911 32.500 -0.132 0.000 1.149 1524 K HN 0.934 nan 8.250 nan 0.000 0.444 1525 T N 1.069 115.678 114.554 0.091 0.000 2.944 1525 T HA 0.470 4.827 4.350 0.012 0.000 0.284 1525 T C -0.147 174.555 174.700 0.003 0.000 1.010 1525 T CA -0.959 61.157 62.100 0.025 0.000 1.025 1525 T CB 1.819 70.662 68.868 -0.041 0.000 1.079 1525 T HN 0.588 nan 8.240 nan 0.000 0.516 1526 R N 1.888 122.352 120.500 -0.059 0.000 2.422 1526 R HA 0.407 4.754 4.340 0.012 0.000 0.307 1526 R C -1.183 175.052 176.300 -0.108 0.000 1.004 1526 R CA -0.927 55.051 56.100 -0.203 0.000 0.882 1526 R CB 0.843 30.955 30.300 -0.313 0.000 1.164 1526 R HN 0.608 nan 8.270 nan 0.000 0.489 1527 L N 6.222 127.431 121.223 -0.023 0.000 2.597 1527 L HA 0.032 4.379 4.340 0.012 0.000 0.271 1527 L C 0.426 177.297 176.870 0.003 0.000 1.157 1527 L CA 0.651 55.510 54.840 0.032 0.000 0.928 1527 L CB 1.011 43.141 42.059 0.118 0.000 1.216 1527 L HN 0.581 nan 8.230 nan 0.000 0.481 1528 V N 4.185 124.108 119.914 0.014 0.000 2.261 1528 V HA 0.023 4.151 4.120 0.012 0.000 0.235 1528 V C 1.126 177.241 176.094 0.035 0.000 1.044 1528 V CA 0.898 63.205 62.300 0.011 0.000 1.007 1528 V CB -0.390 31.442 31.823 0.014 0.000 0.647 1528 V HN 0.726 nan 8.190 nan 0.000 0.462 1529 K N -0.092 120.339 120.400 0.052 0.000 2.203 1529 K HA 0.599 4.926 4.320 0.012 0.000 0.251 1529 K C -1.644 175.002 176.600 0.076 0.000 0.944 1529 K CA -0.424 55.894 56.287 0.052 0.000 0.829 1529 K CB 2.172 34.694 32.500 0.035 0.000 1.125 1529 K HN 0.095 nan 8.250 nan 0.000 0.430 1530 V N 3.838 123.790 119.914 0.064 0.000 2.378 1530 V HA 0.237 4.364 4.120 0.012 0.000 0.288 1530 V C -0.768 175.313 176.094 -0.021 0.000 1.016 1530 V CA -0.647 61.681 62.300 0.047 0.000 0.840 1530 V CB 1.419 33.315 31.823 0.122 0.000 0.994 1530 V HN 0.752 nan 8.190 nan 0.000 0.431 1531 Q N 5.352 125.103 119.800 -0.082 0.000 2.721 1531 Q HA 0.430 4.777 4.340 0.012 0.000 0.257 1531 Q C -0.441 175.486 176.000 -0.122 0.000 1.070 1531 Q CA -0.365 55.394 55.803 -0.073 0.000 0.910 1531 Q CB 1.239 29.953 28.738 -0.041 0.000 1.163 1531 Q HN 0.772 nan 8.270 nan 0.000 0.501 1532 L N -1.547 119.604 121.223 -0.120 0.000 2.360 1532 L HA 0.504 4.852 4.340 0.012 0.000 0.276 1532 L C 0.022 176.857 176.870 -0.059 0.000 1.121 1532 L CA 0.139 54.905 54.840 -0.123 0.000 0.845 1532 L CB 0.903 42.906 42.059 -0.093 0.000 1.143 1532 L HN 0.250 nan 8.230 nan 0.000 0.452 1533 S N 1.962 117.636 115.700 -0.044 0.000 2.618 1533 S HA 0.348 4.825 4.470 0.012 0.000 0.284 1533 S C 1.026 175.617 174.600 -0.015 0.000 1.102 1533 S CA -0.001 58.192 58.200 -0.012 0.000 0.984 1533 S CB 1.277 64.486 63.200 0.016 0.000 1.280 1533 S HN 0.933 nan 8.310 nan 0.000 0.525 1534 N N 0.863 119.559 118.700 -0.006 0.000 2.415 1534 N HA 0.020 4.767 4.740 0.012 0.000 0.174 1534 N C 0.793 176.275 175.510 -0.047 0.000 1.048 1534 N CA 1.106 54.145 53.050 -0.018 0.000 0.895 1534 N CB -0.303 38.180 38.487 -0.006 0.000 1.036 1534 N HN 0.629 nan 8.380 nan 0.000 0.449 1535 D N -0.982 119.395 120.400 -0.039 0.000 2.431 1535 D HA 0.043 4.690 4.640 0.012 0.000 0.235 1535 D C -0.464 175.621 176.300 -0.359 0.000 0.980 1535 D CA 0.289 54.210 54.000 -0.131 0.000 0.912 1535 D CB -0.149 40.662 40.800 0.018 0.000 1.056 1535 D HN 0.167 nan 8.370 nan 0.000 0.494 1536 F N 0.949 120.875 119.950 -0.040 0.000 2.578 1536 F HA 0.329 4.863 4.527 0.012 0.000 0.311 1536 F C -0.537 175.208 175.800 -0.093 0.000 1.094 1536 F CA -1.110 56.856 58.000 -0.057 0.000 0.923 1536 F CB 2.086 41.048 39.000 -0.063 0.000 1.230 1536 F HN -0.325 nan 8.300 nan 0.000 0.450 1537 D N 2.301 122.740 120.400 0.064 0.000 2.198 1537 D HA 0.234 4.882 4.640 0.012 0.000 0.245 1537 D C -0.669 175.461 176.300 -0.285 0.000 1.079 1537 D CA -0.206 53.679 54.000 -0.193 0.000 0.854 1537 D CB 1.650 42.262 40.800 -0.313 0.000 1.148 1537 D HN 0.533 nan 8.370 nan 0.000 0.456 1538 E N 1.687 121.669 120.200 -0.363 0.000 2.129 1538 E HA 0.223 4.580 4.350 0.012 0.000 0.268 1538 E C -0.879 175.506 176.600 -0.359 0.000 0.900 1538 E CA -0.683 55.572 56.400 -0.241 0.000 0.755 1538 E CB 1.149 30.800 29.700 -0.081 0.000 1.117 1538 E HN 0.318 nan 8.360 nan 0.000 0.410 1539 Y N 2.430 122.785 120.300 0.092 0.000 2.369 1539 Y HA 0.341 4.898 4.550 0.012 0.000 0.337 1539 Y C 0.204 176.178 175.900 0.124 0.000 0.961 1539 Y CA -0.746 57.394 58.100 0.067 0.000 1.186 1539 Y CB 0.545 39.005 38.460 -0.000 0.000 1.139 1539 Y HN 0.395 nan 8.280 nan 0.000 0.494 1540 I N 5.340 126.030 120.570 0.199 0.000 2.308 1540 I HA 0.180 4.357 4.170 0.012 0.000 0.293 1540 I C -0.308 175.900 176.117 0.151 0.000 1.078 1540 I CA 0.149 61.550 61.300 0.168 0.000 1.292 1540 I CB 0.142 38.200 38.000 0.096 0.000 1.423 1540 I HN 0.462 nan 8.210 nan 0.000 0.493 1541 M N 5.717 125.438 119.600 0.202 0.000 2.205 1541 M HA 0.512 4.999 4.480 0.012 0.000 0.344 1541 M C -0.082 176.265 176.300 0.079 0.000 1.085 1541 M CA -0.494 54.870 55.300 0.108 0.000 1.001 1541 M CB 1.764 34.373 32.600 0.015 0.000 1.626 1541 M HN 0.543 nan 8.290 nan 0.000 0.442 1542 A N 4.851 127.680 122.820 0.015 0.000 2.301 1542 A HA 0.615 4.943 4.320 0.012 0.000 0.298 1542 A C -0.011 177.551 177.584 -0.037 0.000 1.185 1542 A CA -0.657 51.373 52.037 -0.012 0.000 0.830 1542 A CB 0.386 19.372 19.000 -0.023 0.000 1.112 1542 A HN 0.759 nan 8.150 nan 0.000 0.508 1543 I N 2.810 123.341 120.570 -0.066 0.000 2.452 1543 I HA 0.108 4.285 4.170 0.012 0.000 0.287 1543 I C 0.750 176.832 176.117 -0.059 0.000 1.079 1543 I CA 0.325 61.565 61.300 -0.102 0.000 1.387 1543 I CB 0.498 38.365 38.000 -0.222 0.000 1.404 1543 I HN 0.778 nan 8.210 nan 0.000 0.522 1544 E N 4.926 125.100 120.200 -0.043 0.000 2.251 1544 E HA 0.031 4.388 4.350 0.012 0.000 0.194 1544 E C 0.038 176.616 176.600 -0.037 0.000 0.964 1544 E CA 0.481 56.854 56.400 -0.045 0.000 0.868 1544 E CB 0.623 30.282 29.700 -0.068 0.000 0.828 1544 E HN 0.759 nan 8.360 nan 0.000 0.481 1545 Q N -0.222 119.575 119.800 -0.005 0.000 2.430 1545 Q HA 0.211 4.559 4.340 0.012 0.000 0.253 1545 Q C -0.917 175.170 176.000 0.145 0.000 0.945 1545 Q CA -0.500 55.328 55.803 0.042 0.000 0.964 1545 Q CB 0.477 29.225 28.738 0.016 0.000 1.460 1545 Q HN -0.091 nan 8.270 nan 0.000 0.428 1546 T N 0.454 115.111 114.554 0.172 0.000 2.987 1546 T HA 0.367 4.724 4.350 0.012 0.000 0.288 1546 T C 0.815 175.667 174.700 0.255 0.000 0.981 1546 T CA -0.453 61.840 62.100 0.321 0.000 1.031 1546 T CB -0.402 68.638 68.868 0.287 0.000 0.976 1546 T HN 0.663 nan 8.240 nan 0.000 0.612 1547 I N 1.302 122.037 120.570 0.275 0.000 2.830 1547 I HA 0.145 4.323 4.170 0.012 0.000 0.263 1547 I C 1.226 177.417 176.117 0.123 0.000 1.230 1547 I CA 0.654 62.062 61.300 0.180 0.000 1.480 1547 I CB -0.071 38.059 38.000 0.217 0.000 1.095 1547 I HN 0.586 nan 8.210 nan 0.000 0.455 1548 K N 0.617 121.115 120.400 0.163 0.000 2.610 1548 K HA 0.281 4.608 4.320 0.012 0.000 0.274 1548 K C -1.217 175.489 176.600 0.177 0.000 1.049 1548 K CA -0.246 56.109 56.287 0.113 0.000 0.945 1548 K CB 1.305 33.825 32.500 0.032 0.000 1.313 1548 K HN -0.162 nan 8.250 nan 0.000 0.463 1549 S N 1.445 117.273 115.700 0.212 0.000 2.616 1549 S HA 0.627 5.104 4.470 0.012 0.000 0.277 1549 S C 0.250 175.003 174.600 0.254 0.000 1.234 1549 S CA -0.417 57.959 58.200 0.294 0.000 1.028 1549 S CB 1.612 64.968 63.200 0.259 0.000 0.988 1549 S HN 0.723 nan 8.310 nan 0.000 0.522 1550 G N 0.638 109.643 108.800 0.343 0.000 2.828 1550 G HA2 0.396 4.363 3.960 0.012 0.000 0.244 1550 G HA3 0.396 4.363 3.960 0.012 0.000 0.244 1550 G C 1.055 176.083 174.900 0.214 0.000 1.365 1550 G CA -0.074 45.233 45.100 0.345 0.000 1.041 1550 G HN 0.733 nan 8.290 nan 0.000 0.560 1551 S N -1.157 114.656 115.700 0.188 0.000 2.440 1551 S HA -0.166 4.312 4.470 0.012 0.000 0.240 1551 S C 0.774 175.294 174.600 -0.132 0.000 1.014 1551 S CA 1.631 59.849 58.200 0.029 0.000 0.980 1551 S CB -0.259 62.967 63.200 0.043 0.000 0.775 1551 S HN 0.558 nan 8.310 nan 0.000 0.499 1552 D N 2.036 122.273 120.400 -0.272 0.000 2.380 1552 D HA 0.197 4.845 4.640 0.012 0.000 0.230 1552 D C -0.412 175.886 176.300 -0.003 0.000 1.154 1552 D CA -0.320 53.510 54.000 -0.283 0.000 0.859 1552 D CB 0.461 40.900 40.800 -0.603 0.000 1.045 1552 D HN 0.120 nan 8.370 nan 0.000 0.495 1553 E N 2.194 122.393 120.200 -0.003 0.000 2.338 1553 E HA 0.283 4.640 4.350 0.012 0.000 0.272 1553 E C -0.900 175.725 176.600 0.042 0.000 1.029 1553 E CA -0.383 56.048 56.400 0.050 0.000 0.872 1553 E CB 2.052 31.766 29.700 0.024 0.000 1.015 1553 E HN 0.273 nan 8.360 nan 0.000 0.417 1554 V N 3.568 123.520 119.914 0.064 0.000 2.733 1554 V HA 0.131 4.259 4.120 0.012 0.000 0.306 1554 V C -0.879 175.212 176.094 -0.006 0.000 1.084 1554 V CA -0.713 61.589 62.300 0.004 0.000 0.905 1554 V CB 2.207 33.987 31.823 -0.070 0.000 1.010 1554 V HN 0.598 nan 8.190 nan 0.000 0.424 1555 Q N 3.506 123.295 119.800 -0.018 0.000 2.293 1555 Q HA 0.461 4.808 4.340 0.012 0.000 0.251 1555 Q C -0.555 175.427 176.000 -0.030 0.000 0.930 1555 Q CA 0.010 55.805 55.803 -0.013 0.000 0.893 1555 Q CB 1.698 30.429 28.738 -0.012 0.000 1.215 1555 Q HN 0.680 nan 8.270 nan 0.000 0.425 1556 V N 4.480 124.384 119.914 -0.017 0.000 2.434 1556 V HA 0.293 4.420 4.120 0.012 0.000 0.281 1556 V C 1.268 177.348 176.094 -0.023 0.000 1.005 1556 V CA 1.800 64.087 62.300 -0.022 0.000 1.089 1556 V CB -0.181 31.639 31.823 -0.006 0.000 0.978 1556 V HN 1.041 nan 8.190 nan 0.000 0.474 1557 G N 3.722 112.503 108.800 -0.032 0.000 2.229 1557 G HA2 -0.143 3.824 3.960 0.012 0.000 0.189 1557 G HA3 -0.143 3.824 3.960 0.012 0.000 0.189 1557 G C 0.105 174.990 174.900 -0.024 0.000 1.000 1557 G CA -0.217 44.869 45.100 -0.024 0.000 0.663 1557 G HN 0.566 nan 8.290 nan 0.000 0.493 1558 Q N -0.006 119.773 119.800 -0.034 0.000 2.199 1558 Q HA 0.671 5.018 4.340 0.012 0.000 0.232 1558 Q C -0.047 175.936 176.000 -0.030 0.000 0.969 1558 Q CA -0.247 55.538 55.803 -0.030 0.000 0.925 1558 Q CB 0.882 29.599 28.738 -0.034 0.000 1.198 1558 Q HN 0.432 nan 8.270 nan 0.000 0.494 1559 Q N 0.573 120.367 119.800 -0.010 0.000 2.345 1559 Q HA 0.516 4.863 4.340 0.012 0.000 0.268 1559 Q C -0.987 175.031 176.000 0.030 0.000 1.054 1559 Q CA -0.804 55.008 55.803 0.015 0.000 0.835 1559 Q CB 1.842 30.597 28.738 0.028 0.000 1.339 1559 Q HN 0.204 nan 8.270 nan 0.000 0.447 1560 R N 1.017 121.561 120.500 0.074 0.000 2.574 1560 R HA 0.385 4.732 4.340 0.012 0.000 0.288 1560 R C -1.200 175.185 176.300 0.143 0.000 1.004 1560 R CA -0.585 55.558 56.100 0.071 0.000 0.895 1560 R CB 2.118 32.400 30.300 -0.031 0.000 1.191 1560 R HN 0.593 nan 8.270 nan 0.000 0.444 1561 T N 3.728 118.343 114.554 0.101 0.000 2.723 1561 T HA 0.356 4.714 4.350 0.012 0.000 0.297 1561 T C -0.112 174.667 174.700 0.133 0.000 0.925 1561 T CA -0.029 62.164 62.100 0.155 0.000 1.030 1561 T CB -0.117 68.814 68.868 0.105 0.000 0.905 1561 T HN 0.167 nan 8.240 nan 0.000 0.502 1562 F N 3.477 123.527 119.950 0.168 0.000 2.371 1562 F HA 0.442 4.976 4.527 0.012 0.000 0.363 1562 F C 0.586 176.506 175.800 0.201 0.000 1.122 1562 F CA -1.223 56.900 58.000 0.205 0.000 1.129 1562 F CB 0.311 39.405 39.000 0.157 0.000 1.173 1562 F HN 0.407 nan 8.300 nan 0.000 0.489 1563 I N 2.532 123.247 120.570 0.243 0.000 2.365 1563 I HA 0.335 4.512 4.170 0.012 0.000 0.291 1563 I C 0.223 176.472 176.117 0.220 0.000 1.004 1563 I CA -0.194 61.191 61.300 0.141 0.000 1.311 1563 I CB 1.406 39.358 38.000 -0.081 0.000 1.401 1563 I HN 0.449 nan 8.210 nan 0.000 0.491 1564 S N 6.670 122.541 115.700 0.285 0.000 2.538 1564 S HA 0.573 5.050 4.470 0.012 0.000 0.288 1564 S C -2.610 172.177 174.600 0.312 0.000 1.108 1564 S CA -1.572 56.812 58.200 0.307 0.000 0.971 1564 S CB 1.676 65.100 63.200 0.373 0.000 1.041 1564 S HN 0.195 nan 8.310 nan 0.000 0.483 1565 P HA 0.097 nan 4.420 nan 0.000 0.269 1565 P C 0.882 178.115 177.300 -0.113 0.000 1.211 1565 P CA -0.101 62.939 63.100 -0.099 0.000 0.781 1565 P CB 0.338 31.998 31.700 -0.067 0.000 0.877 1566 I N 2.401 122.811 120.570 -0.267 0.000 2.454 1566 I HA -0.232 3.945 4.170 0.012 0.000 0.254 1566 I C 1.790 177.873 176.117 -0.057 0.000 1.156 1566 I CA 1.655 62.872 61.300 -0.138 0.000 1.433 1566 I CB -0.364 37.535 38.000 -0.170 0.000 1.082 1566 I HN 0.304 nan 8.210 nan 0.000 0.432 1567 K N -0.924 119.440 120.400 -0.060 0.000 2.487 1567 K HA 0.068 4.395 4.320 0.012 0.000 0.192 1567 K C 0.935 177.549 176.600 0.025 0.000 1.027 1567 K CA 0.903 57.185 56.287 -0.009 0.000 1.054 1567 K CB -0.467 32.029 32.500 -0.006 0.000 0.824 1567 K HN 0.329 nan 8.250 nan 0.000 0.510 1568 c N 0.494 119.120 118.600 0.043 0.000 3.115 1568 c HA 0.365 4.942 4.570 0.012 0.000 0.277 1568 c C 1.884 176.025 174.090 0.085 0.000 1.460 1568 c CA -0.919 55.461 56.329 0.086 0.000 1.789 1568 c CB -0.883 41.706 42.510 0.131 0.000 2.674 1568 c HN 0.576 nan 8.230 nan 0.000 0.582 1569 R N 2.226 122.772 120.500 0.077 0.000 2.073 1569 R HA -0.160 4.187 4.340 0.012 0.000 0.234 1569 R C 2.131 178.462 176.300 0.052 0.000 1.134 1569 R CA 1.771 57.930 56.100 0.097 0.000 0.952 1569 R CB -0.163 30.186 30.300 0.082 0.000 0.850 1569 R HN 0.620 nan 8.270 nan 0.000 0.433 1570 E N -0.503 119.722 120.200 0.041 0.000 2.106 1570 E HA -0.165 4.192 4.350 0.012 0.000 0.192 1570 E C 1.667 178.284 176.600 0.028 0.000 0.984 1570 E CA 1.042 57.458 56.400 0.028 0.000 0.806 1570 E CB -0.009 29.706 29.700 0.026 0.000 0.750 1570 E HN 0.498 nan 8.360 nan 0.000 0.458 1571 A N 0.917 123.777 122.820 0.066 0.000 1.897 1571 A HA -0.081 4.246 4.320 0.012 0.000 0.215 1571 A C 2.168 179.763 177.584 0.019 0.000 1.181 1571 A CA 0.746 52.870 52.037 0.145 0.000 0.620 1571 A CB -0.498 18.686 19.000 0.307 0.000 0.821 1571 A HN 0.253 nan 8.150 nan 0.000 0.443 1572 L N -0.305 120.836 121.223 -0.137 0.000 2.156 1572 L HA -0.115 4.233 4.340 0.012 0.000 0.208 1572 L C 0.735 177.401 176.870 -0.340 0.000 1.095 1572 L CA 1.096 55.666 54.840 -0.449 0.000 0.770 1572 L CB -0.526 41.258 42.059 -0.457 0.000 0.914 1572 L HN 0.613 nan 8.230 nan 0.000 0.439 1573 K N 1.145 121.439 120.400 -0.176 0.000 4.116 1573 K HA -0.208 4.119 4.320 0.012 0.000 0.277 1573 K C -0.810 175.712 176.600 -0.130 0.000 0.835 1573 K CA 0.477 56.699 56.287 -0.108 0.000 0.740 1573 K CB -2.255 30.203 32.500 -0.071 0.000 1.714 1573 K HN 0.320 nan 8.250 nan 0.000 0.433 1574 L N 2.444 123.548 121.223 -0.198 0.000 2.270 1574 L HA 0.232 4.579 4.340 0.012 0.000 0.286 1574 L C 0.329 177.206 176.870 0.011 0.000 1.059 1574 L CA -0.598 54.109 54.840 -0.221 0.000 0.839 1574 L CB 0.669 42.292 42.059 -0.726 0.000 1.221 1574 L HN 0.313 nan 8.230 nan 0.000 0.431 1575 E N 2.758 123.033 120.200 0.125 0.000 2.338 1575 E HA 0.149 4.506 4.350 0.012 0.000 0.272 1575 E C -0.281 176.403 176.600 0.139 0.000 1.029 1575 E CA -0.501 55.963 56.400 0.106 0.000 0.872 1575 E CB 1.083 30.823 29.700 0.068 0.000 1.015 1575 E HN 0.426 nan 8.360 nan 0.000 0.417 1576 E N 2.059 122.320 120.200 0.103 0.000 2.467 1576 E HA -0.129 4.228 4.350 0.012 0.000 0.264 1576 E C -0.292 176.348 176.600 0.066 0.000 1.020 1576 E CA 0.540 56.993 56.400 0.089 0.000 0.945 1576 E CB 0.340 30.079 29.700 0.065 0.000 0.942 1576 E HN 0.400 nan 8.360 nan 0.000 0.449 1577 K N 0.866 121.287 120.400 0.035 0.000 3.069 1577 K HA -0.217 4.110 4.320 0.012 0.000 0.267 1577 K C -0.788 175.782 176.600 -0.051 0.000 1.082 1577 K CA 0.988 57.258 56.287 -0.028 0.000 0.782 1577 K CB -0.640 31.855 32.500 -0.008 0.000 1.230 1577 K HN 0.333 nan 8.250 nan 0.000 0.488 1578 K N 0.256 120.645 120.400 -0.018 0.000 2.281 1578 K HA 0.376 4.703 4.320 0.012 0.000 0.242 1578 K C -0.211 176.236 176.600 -0.256 0.000 0.971 1578 K CA -0.928 55.334 56.287 -0.040 0.000 0.834 1578 K CB 1.492 34.034 32.500 0.069 0.000 1.181 1578 K HN 0.164 nan 8.250 nan 0.000 0.435 1579 H N 0.883 119.752 119.070 -0.335 0.000 2.483 1579 H HA 0.326 4.889 4.556 0.012 0.000 0.338 1579 H C -0.843 174.153 175.328 -0.552 0.000 1.152 1579 H CA -0.244 55.615 56.048 -0.315 0.000 1.264 1579 H CB 0.968 30.558 29.762 -0.287 0.000 1.510 1579 H HN 0.436 nan 8.280 nan 0.000 0.530 1580 Y N 0.359 120.712 120.300 0.087 0.000 2.534 1580 Y HA 0.179 4.736 4.550 0.012 0.000 0.345 1580 Y C -0.647 175.390 175.900 0.229 0.000 1.031 1580 Y CA -0.956 57.208 58.100 0.106 0.000 1.022 1580 Y CB 1.882 40.311 38.460 -0.052 0.000 1.292 1580 Y HN 0.397 nan 8.280 nan 0.000 0.459 1581 L N 4.265 125.787 121.223 0.499 0.000 2.265 1581 L HA 0.685 5.032 4.340 0.012 0.000 0.289 1581 L C -1.244 175.821 176.870 0.324 0.000 1.033 1581 L CA -0.161 54.981 54.840 0.504 0.000 0.814 1581 L CB 0.238 42.617 42.059 0.533 0.000 1.203 1581 L HN 0.617 nan 8.230 nan 0.000 0.423 1582 M N 5.031 124.823 119.600 0.320 0.000 2.591 1582 M HA 0.629 5.116 4.480 0.012 0.000 0.306 1582 M C -1.530 175.003 176.300 0.388 0.000 1.190 1582 M CA -0.477 54.959 55.300 0.226 0.000 0.889 1582 M CB 2.189 34.852 32.600 0.103 0.000 1.728 1582 M HN 0.748 nan 8.290 nan 0.000 0.458 1583 W N 0.409 121.816 121.300 0.179 0.000 3.153 1583 W HA 0.856 5.523 4.660 0.012 0.000 0.316 1583 W C -1.399 174.889 176.519 -0.386 0.000 1.255 1583 W CA -0.811 56.392 57.345 -0.236 0.000 1.192 1583 W CB 0.301 29.659 29.460 -0.170 0.000 1.400 1583 W HN 0.950 nan 8.180 nan 0.000 0.568 1584 G N 0.480 108.917 108.800 -0.606 0.000 2.428 1584 G HA2 0.508 4.475 3.960 0.012 0.000 0.304 1584 G HA3 0.508 4.475 3.960 0.012 0.000 0.304 1584 G C -1.705 173.018 174.900 -0.295 0.000 1.303 1584 G CA -1.036 43.931 45.100 -0.221 0.000 0.825 1584 G HN 0.860 nan 8.290 nan 0.000 0.484 1585 L N 0.502 121.712 121.223 -0.022 0.000 2.468 1585 L HA 0.353 4.700 4.340 0.012 0.000 0.254 1585 L C 2.196 178.999 176.870 -0.112 0.000 1.171 1585 L CA -0.084 54.736 54.840 -0.034 0.000 0.809 1585 L CB 1.271 43.331 42.059 0.002 0.000 1.155 1585 L HN 0.761 nan 8.230 nan 0.000 0.473 1586 S N -1.588 114.021 115.700 -0.151 0.000 2.474 1586 S HA -0.171 4.307 4.470 0.012 0.000 0.235 1586 S C 1.877 176.306 174.600 -0.285 0.000 0.997 1586 S CA 1.021 59.004 58.200 -0.362 0.000 0.949 1586 S CB -0.272 62.983 63.200 0.092 0.000 0.766 1586 S HN 0.727 nan 8.310 nan 0.000 0.517 1587 S N 1.774 117.414 115.700 -0.101 0.000 2.442 1587 S HA -0.134 4.343 4.470 0.012 0.000 0.236 1587 S C 1.190 175.785 174.600 -0.008 0.000 1.007 1587 S CA 1.240 59.435 58.200 -0.008 0.000 0.965 1587 S CB -0.632 62.583 63.200 0.026 0.000 0.773 1587 S HN 0.551 nan 8.310 nan 0.000 0.504 1588 D N 0.514 120.856 120.400 -0.097 0.000 2.224 1588 D HA 0.076 4.723 4.640 0.012 0.000 0.205 1588 D C 0.219 176.478 176.300 -0.068 0.000 0.965 1588 D CA 0.296 54.292 54.000 -0.007 0.000 0.852 1588 D CB -0.371 40.550 40.800 0.202 0.000 0.947 1588 D HN 0.370 nan 8.370 nan 0.000 0.494 1589 F N 0.211 120.119 119.950 -0.069 0.000 2.628 1589 F HA 0.075 4.609 4.527 0.012 0.000 0.362 1589 F C 0.793 176.604 175.800 0.017 0.000 1.148 1589 F CA -0.369 57.485 58.000 -0.244 0.000 1.352 1589 F CB 0.125 38.996 39.000 -0.215 0.000 1.081 1589 F HN -0.046 nan 8.300 nan 0.000 0.605 1590 W N 2.204 123.460 121.300 -0.074 0.000 3.326 1590 W HA 0.433 5.100 4.660 0.012 0.000 0.333 1590 W C -0.378 176.084 176.519 -0.096 0.000 1.108 1590 W CA -0.750 56.548 57.345 -0.077 0.000 1.245 1590 W CB 2.004 31.412 29.460 -0.086 0.000 1.331 1590 W HN 0.852 nan 8.180 nan 0.000 0.464 1591 G N 4.717 113.111 108.800 -0.677 0.000 3.445 1591 G HA2 -0.221 3.746 3.960 0.012 0.000 0.634 1591 G HA3 -0.221 3.746 3.960 0.012 0.000 0.634 1591 G C -0.059 174.674 174.900 -0.278 0.000 0.909 1591 G CA -0.008 44.784 45.100 -0.513 0.000 0.740 1591 G HN 0.686 nan 8.290 nan 0.000 0.441 1592 E N 3.043 123.093 120.200 -0.250 0.000 2.425 1592 E HA 0.223 4.580 4.350 0.012 0.000 0.258 1592 E C 0.985 177.494 176.600 -0.151 0.000 1.151 1592 E CA -0.152 56.136 56.400 -0.186 0.000 0.958 1592 E CB 0.908 30.512 29.700 -0.160 0.000 0.968 1592 E HN 0.697 nan 8.360 nan 0.000 0.451 1593 K N 1.053 121.370 120.400 -0.138 0.000 2.285 1593 K HA 0.032 4.360 4.320 0.012 0.000 0.255 1593 K C -1.590 174.959 176.600 -0.086 0.000 1.000 1593 K CA -0.878 55.342 56.287 -0.110 0.000 0.887 1593 K CB -0.294 32.142 32.500 -0.106 0.000 0.997 1593 K HN 0.379 nan 8.250 nan 0.000 0.510 1594 P HA -0.089 nan 4.420 nan 0.000 0.221 1594 P C -0.326 176.939 177.300 -0.058 0.000 1.155 1594 P CA 0.723 63.786 63.100 -0.061 0.000 0.812 1594 P CB -0.007 31.666 31.700 -0.044 0.000 0.801 1595 N N 1.542 120.211 118.700 -0.052 0.000 2.406 1595 N HA 0.186 4.933 4.740 0.012 0.000 0.251 1595 N C -0.718 174.760 175.510 -0.053 0.000 1.069 1595 N CA -0.358 52.669 53.050 -0.039 0.000 0.947 1595 N CB 1.242 39.715 38.487 -0.022 0.000 1.111 1595 N HN 0.031 nan 8.380 nan 0.000 0.497 1596 L N 1.293 122.486 121.223 -0.050 0.000 2.344 1596 L HA 0.499 4.846 4.340 0.012 0.000 0.272 1596 L C 0.003 176.871 176.870 -0.004 0.000 1.035 1596 L CA -0.240 54.554 54.840 -0.077 0.000 0.807 1596 L CB 1.681 43.641 42.059 -0.165 0.000 1.237 1596 L HN 0.530 nan 8.230 nan 0.000 0.442 1597 S N 1.014 116.721 115.700 0.011 0.000 2.689 1597 S HA 0.670 5.147 4.470 0.012 0.000 0.306 1597 S C -1.557 173.033 174.600 -0.015 0.000 1.104 1597 S CA -0.338 57.917 58.200 0.091 0.000 0.973 1597 S CB 1.348 64.676 63.200 0.213 0.000 1.121 1597 S HN 0.363 nan 8.310 nan 0.000 0.523 1598 Y N 0.459 120.651 120.300 -0.180 0.000 2.499 1598 Y HA 0.535 5.092 4.550 0.012 0.000 0.347 1598 Y C -0.404 175.463 175.900 -0.055 0.000 0.987 1598 Y CA -1.033 56.946 58.100 -0.202 0.000 1.044 1598 Y CB 1.089 39.090 38.460 -0.765 0.000 1.245 1598 Y HN 0.359 nan 8.280 nan 0.000 0.461 1599 I N 4.763 125.421 120.570 0.147 0.000 2.359 1599 I HA 0.266 4.443 4.170 0.012 0.000 0.284 1599 I C -0.179 176.058 176.117 0.200 0.000 1.018 1599 I CA -0.781 60.567 61.300 0.080 0.000 1.173 1599 I CB 0.780 38.734 38.000 -0.077 0.000 1.326 1599 I HN 0.567 nan 8.210 nan 0.000 0.462 1600 I N 6.302 127.020 120.570 0.247 0.000 2.574 1600 I HA 0.133 4.310 4.170 0.012 0.000 0.291 1600 I C 1.111 177.329 176.117 0.168 0.000 1.131 1600 I CA 0.441 61.885 61.300 0.241 0.000 1.352 1600 I CB 0.103 38.230 38.000 0.211 0.000 1.431 1600 I HN 0.676 nan 8.210 nan 0.000 0.543 1601 G N 4.849 113.741 108.800 0.154 0.000 3.075 1601 G HA2 0.341 4.308 3.960 0.012 0.000 0.253 1601 G HA3 0.341 4.308 3.960 0.012 0.000 0.253 1601 G C 0.495 175.452 174.900 0.094 0.000 1.353 1601 G CA -0.698 44.466 45.100 0.106 0.000 1.051 1601 G HN 0.665 nan 8.290 nan 0.000 0.553 1602 K N -0.582 119.852 120.400 0.057 0.000 2.585 1602 K HA 0.056 4.383 4.320 0.012 0.000 0.194 1602 K C -0.059 176.577 176.600 0.059 0.000 1.037 1602 K CA 1.283 57.590 56.287 0.034 0.000 0.964 1602 K CB 0.284 32.786 32.500 0.003 0.000 0.787 1602 K HN 0.281 nan 8.250 nan 0.000 0.488 1603 D N 0.928 121.383 120.400 0.092 0.000 2.513 1603 D HA 0.026 4.674 4.640 0.012 0.000 0.222 1603 D C -0.556 175.839 176.300 0.159 0.000 1.210 1603 D CA 0.041 54.116 54.000 0.125 0.000 0.825 1603 D CB 1.039 41.902 40.800 0.104 0.000 1.037 1603 D HN 0.045 nan 8.370 nan 0.000 0.506 1604 T N 1.595 116.232 114.554 0.140 0.000 2.832 1604 T HA 0.055 4.413 4.350 0.012 0.000 0.313 1604 T C -0.201 174.510 174.700 0.017 0.000 1.035 1604 T CA -0.591 61.586 62.100 0.128 0.000 0.950 1604 T CB 0.925 69.912 68.868 0.197 0.000 0.984 1604 T HN 0.121 nan 8.240 nan 0.000 0.486 1605 W N 5.941 126.974 121.300 -0.444 0.000 2.485 1605 W HA 0.437 5.104 4.660 0.012 0.000 0.315 1605 W C -1.529 174.644 176.519 -0.576 0.000 1.304 1605 W CA -0.607 56.305 57.345 -0.723 0.000 1.345 1605 W CB 0.193 28.558 29.460 -1.826 0.000 1.368 1605 W HN 0.248 nan 8.180 nan 0.000 0.497 1606 V N 6.757 126.319 119.914 -0.586 0.000 2.459 1606 V HA 0.401 4.528 4.120 0.012 0.000 0.295 1606 V C -0.270 175.471 176.094 -0.589 0.000 1.029 1606 V CA -0.734 61.265 62.300 -0.501 0.000 0.874 1606 V CB 1.663 33.142 31.823 -0.574 0.000 0.985 1606 V HN 0.516 nan 8.190 nan 0.000 0.438 1607 E N 1.732 121.800 120.200 -0.220 0.000 2.366 1607 E HA 0.369 4.726 4.350 0.012 0.000 0.278 1607 E C -1.571 175.172 176.600 0.239 0.000 0.923 1607 E CA -0.891 55.465 56.400 -0.073 0.000 0.761 1607 E CB 2.260 31.962 29.700 0.004 0.000 1.231 1607 E HN 0.872 nan 8.360 nan 0.000 0.443 1608 H N 2.900 122.024 119.070 0.090 0.000 2.722 1608 H HA 0.125 4.688 4.556 0.012 0.000 0.328 1608 H C -1.199 174.106 175.328 -0.038 0.000 1.067 1608 H CA 0.040 56.058 56.048 -0.051 0.000 1.447 1608 H CB 0.550 30.259 29.762 -0.088 0.000 1.469 1608 H HN 0.286 nan 8.280 nan 0.000 0.544 1609 W N 9.197 129.970 121.300 -0.879 0.000 2.282 1609 W HA 0.289 4.956 4.660 0.012 0.000 0.322 1609 W C -2.774 173.292 176.519 -0.755 0.000 1.011 1609 W CA -3.024 53.980 57.345 -0.569 0.000 1.392 1609 W CB 0.773 30.067 29.460 -0.277 0.000 1.215 1609 W HN 0.635 nan 8.180 nan 0.000 0.394 1610 P HA -0.064 nan 4.420 nan 0.000 0.267 1610 P C -0.137 177.201 177.300 0.063 0.000 1.200 1610 P CA 0.526 63.609 63.100 -0.029 0.000 0.772 1610 P CB 0.899 32.615 31.700 0.027 0.000 0.855 1611 E N 0.992 121.206 120.200 0.024 0.000 2.369 1611 E HA -0.000 4.357 4.350 0.012 0.000 0.255 1611 E C 1.191 177.785 176.600 -0.011 0.000 1.172 1611 E CA -0.042 56.327 56.400 -0.052 0.000 0.932 1611 E CB 0.378 30.065 29.700 -0.021 0.000 1.040 1611 E HN 0.334 nan 8.360 nan 0.000 0.454 1612 E N 0.652 120.826 120.200 -0.042 0.000 2.072 1612 E HA -0.188 4.170 4.350 0.012 0.000 0.191 1612 E C 0.920 177.522 176.600 0.004 0.000 0.985 1612 E CA 1.960 58.355 56.400 -0.009 0.000 0.801 1612 E CB -0.158 29.527 29.700 -0.025 0.000 0.750 1612 E HN 0.633 nan 8.360 nan 0.000 0.452 1613 D N -0.073 120.327 120.400 0.001 0.000 2.351 1613 D HA -0.191 4.456 4.640 0.012 0.000 0.216 1613 D C 0.826 177.135 176.300 0.015 0.000 0.968 1613 D CA 1.303 55.308 54.000 0.009 0.000 0.899 1613 D CB -0.326 40.480 40.800 0.010 0.000 0.907 1613 D HN 0.643 nan 8.370 nan 0.000 0.514 1614 E N -1.374 118.838 120.200 0.020 0.000 2.660 1614 E HA 0.218 4.575 4.350 0.012 0.000 0.216 1614 E C 0.601 177.217 176.600 0.026 0.000 0.986 1614 E CA -0.368 56.048 56.400 0.026 0.000 1.037 1614 E CB -0.412 29.311 29.700 0.038 0.000 1.041 1614 E HN 0.096 nan 8.360 nan 0.000 0.480 1615 c N 1.616 120.231 118.600 0.024 0.000 2.472 1615 c HA 0.023 4.601 4.570 0.012 0.000 0.278 1615 c C 2.223 176.321 174.090 0.014 0.000 1.447 1615 c CA 0.382 56.723 56.329 0.020 0.000 1.773 1615 c CB -0.566 41.960 42.510 0.026 0.000 1.793 1615 c HN 0.497 nan 8.230 nan 0.000 0.544 1616 Q N 0.861 120.669 119.800 0.014 0.000 2.224 1616 Q HA -0.034 4.314 4.340 0.012 0.000 0.203 1616 Q C 0.399 176.405 176.000 0.009 0.000 0.970 1616 Q CA 0.973 56.782 55.803 0.011 0.000 0.865 1616 Q CB -0.303 28.442 28.738 0.010 0.000 0.922 1616 Q HN 0.671 nan 8.270 nan 0.000 0.445 1617 D N 0.910 121.316 120.400 0.010 0.000 2.369 1617 D HA -0.029 4.618 4.640 0.012 0.000 0.241 1617 D C 1.427 177.730 176.300 0.005 0.000 1.271 1617 D CA -0.004 54.001 54.000 0.008 0.000 0.942 1617 D CB 0.601 41.407 40.800 0.010 0.000 1.129 1617 D HN -0.019 nan 8.370 nan 0.000 0.476 1618 E N 0.606 120.808 120.200 0.003 0.000 2.072 1618 E HA -0.159 4.198 4.350 0.012 0.000 0.191 1618 E C 1.305 177.905 176.600 -0.000 0.000 0.985 1618 E CA 1.045 57.446 56.400 0.001 0.000 0.801 1618 E CB -0.110 29.590 29.700 0.000 0.000 0.750 1618 E HN 0.456 nan 8.360 nan 0.000 0.452 1619 E N 0.474 120.674 120.200 0.000 0.000 2.502 1619 E HA 0.048 4.405 4.350 0.012 0.000 0.194 1619 E C 1.078 177.678 176.600 -0.001 0.000 1.062 1619 E CA 0.344 56.743 56.400 -0.001 0.000 0.867 1619 E CB -0.094 29.605 29.700 -0.003 0.000 0.888 1619 E HN 0.313 nan 8.360 nan 0.000 0.510 1620 N N 0.215 118.915 118.700 0.001 0.000 2.564 1620 N HA -0.073 4.674 4.740 0.012 0.000 0.202 1620 N C 1.541 177.042 175.510 -0.014 0.000 1.052 1620 N CA 0.315 53.364 53.050 -0.001 0.000 0.872 1620 N CB 0.162 38.657 38.487 0.014 0.000 1.303 1620 N HN 0.121 nan 8.380 nan 0.000 0.440 1621 Q N 2.000 121.796 119.800 -0.006 0.000 2.234 1621 Q HA -0.200 4.147 4.340 0.012 0.000 0.206 1621 Q C 1.819 177.810 176.000 -0.014 0.000 0.980 1621 Q CA 1.298 57.097 55.803 -0.007 0.000 0.869 1621 Q CB -0.233 28.505 28.738 -0.000 0.000 0.912 1621 Q HN 0.271 nan 8.270 nan 0.000 0.436 1622 K N 0.959 121.350 120.400 -0.015 0.000 2.057 1622 K HA -0.200 4.128 4.320 0.012 0.000 0.206 1622 K C 2.102 178.682 176.600 -0.033 0.000 1.050 1622 K CA 1.571 57.848 56.287 -0.017 0.000 0.935 1622 K CB -0.016 32.477 32.500 -0.012 0.000 0.715 1622 K HN 0.376 nan 8.250 nan 0.000 0.439 1623 Q N -0.007 119.765 119.800 -0.047 0.000 2.354 1623 Q HA -0.029 4.318 4.340 0.012 0.000 0.203 1623 Q C 1.935 177.848 176.000 -0.145 0.000 0.933 1623 Q CA 0.491 56.243 55.803 -0.084 0.000 0.901 1623 Q CB 0.156 28.849 28.738 -0.074 0.000 1.007 1623 Q HN 0.424 nan 8.270 nan 0.000 0.495 1624 c N 0.794 119.329 118.600 -0.108 0.000 2.496 1624 c HA -0.115 4.462 4.570 0.012 0.000 0.281 1624 c C 2.465 176.498 174.090 -0.095 0.000 1.250 1624 c CA 0.999 57.258 56.329 -0.116 0.000 1.717 1624 c CB -0.702 41.786 42.510 -0.036 0.000 2.082 1624 c HN 0.581 nan 8.230 nan 0.000 0.472 1625 Q N 0.205 119.981 119.800 -0.041 0.000 2.369 1625 Q HA -0.130 4.217 4.340 0.012 0.000 0.206 1625 Q C 1.459 177.451 176.000 -0.013 0.000 0.963 1625 Q CA 1.098 56.896 55.803 -0.008 0.000 0.894 1625 Q CB -0.134 28.608 28.738 0.007 0.000 0.965 1625 Q HN 0.614 nan 8.270 nan 0.000 0.475 1626 D N 0.293 120.666 120.400 -0.046 0.000 2.097 1626 D HA -0.141 4.506 4.640 0.012 0.000 0.195 1626 D C 1.522 177.794 176.300 -0.046 0.000 0.989 1626 D CA 1.041 55.017 54.000 -0.039 0.000 0.827 1626 D CB 0.014 40.776 40.800 -0.063 0.000 0.966 1626 D HN 0.199 nan 8.370 nan 0.000 0.456 1627 L N -0.256 120.851 121.223 -0.194 0.000 2.141 1627 L HA 0.013 4.360 4.340 0.012 0.000 0.209 1627 L C 2.478 179.352 176.870 0.007 0.000 1.094 1627 L CA 1.141 55.786 54.840 -0.324 0.000 0.763 1627 L CB -0.653 40.738 42.059 -1.113 0.000 0.908 1627 L HN 0.092 nan 8.230 nan 0.000 0.437 1628 G N -0.141 108.693 108.800 0.057 0.000 2.402 1628 G HA2 -0.188 3.779 3.960 0.012 0.000 0.216 1628 G HA3 -0.188 3.779 3.960 0.012 0.000 0.216 1628 G C 1.810 176.794 174.900 0.139 0.000 1.162 1628 G CA 0.732 45.923 45.100 0.153 0.000 0.777 1628 G HN 0.433 nan 8.290 nan 0.000 0.539 1629 A N 0.263 123.145 122.820 0.103 0.000 1.933 1629 A HA 0.065 4.392 4.320 0.012 0.000 0.218 1629 A C 2.155 179.812 177.584 0.122 0.000 1.175 1629 A CA 1.479 53.572 52.037 0.093 0.000 0.628 1629 A CB -0.527 18.512 19.000 0.065 0.000 0.814 1629 A HN 0.356 nan 8.150 nan 0.000 0.444 1630 F N 1.192 121.148 119.950 0.011 0.000 2.102 1630 F HA -0.140 4.394 4.527 0.012 0.000 0.298 1630 F C 2.576 178.425 175.800 0.081 0.000 1.105 1630 F CA 2.263 60.275 58.000 0.020 0.000 1.239 1630 F CB -0.590 38.408 39.000 -0.003 0.000 0.991 1630 F HN 0.207 nan 8.300 nan 0.000 0.474 1631 T N -0.052 114.663 114.554 0.269 0.000 2.708 1631 T HA -0.190 4.167 4.350 0.012 0.000 0.266 1631 T C 1.844 176.596 174.700 0.087 0.000 1.037 1631 T CA 1.800 64.043 62.100 0.240 0.000 1.146 1631 T CB -0.280 68.808 68.868 0.367 0.000 0.865 1631 T HN 0.360 nan 8.240 nan 0.000 0.435 1632 E N 0.687 120.940 120.200 0.088 0.000 2.028 1632 E HA -0.011 4.346 4.350 0.012 0.000 0.190 1632 E C 2.149 178.796 176.600 0.080 0.000 0.984 1632 E CA 0.656 57.102 56.400 0.078 0.000 0.800 1632 E CB -0.199 29.562 29.700 0.103 0.000 0.758 1632 E HN 0.230 nan 8.360 nan 0.000 0.448 1633 S N -0.238 115.494 115.700 0.053 0.000 2.805 1633 S HA -0.015 4.462 4.470 0.012 0.000 0.230 1633 S C 1.250 175.795 174.600 -0.091 0.000 0.968 1633 S CA 0.433 58.660 58.200 0.045 0.000 0.976 1633 S CB 0.006 63.178 63.200 -0.046 0.000 0.787 1633 S HN 0.159 nan 8.310 nan 0.000 0.533 1634 M N -1.181 118.330 119.600 -0.150 0.000 2.279 1634 M HA 0.212 4.699 4.480 0.012 0.000 0.278 1634 M C 1.452 177.691 176.300 -0.100 0.000 1.142 1634 M CA 0.508 55.675 55.300 -0.222 0.000 1.119 1634 M CB 0.120 32.435 32.600 -0.476 0.000 1.741 1634 M HN 0.147 nan 8.290 nan 0.000 0.601 1635 V N -0.120 119.763 119.914 -0.052 0.000 2.492 1635 V HA -0.052 4.076 4.120 0.012 0.000 0.241 1635 V C 2.250 178.293 176.094 -0.084 0.000 1.041 1635 V CA 1.104 63.381 62.300 -0.039 0.000 1.057 1635 V CB -0.068 31.749 31.823 -0.009 0.000 0.711 1635 V HN 0.153 nan 8.190 nan 0.000 0.468 1636 V N -1.079 118.768 119.914 -0.112 0.000 2.719 1636 V HA -0.043 4.084 4.120 0.012 0.000 0.252 1636 V C 1.721 177.429 176.094 -0.642 0.000 1.065 1636 V CA 1.925 64.010 62.300 -0.358 0.000 1.086 1636 V CB -0.552 31.049 31.823 -0.370 0.000 0.700 1636 V HN 0.524 nan 8.190 nan 0.000 0.467 1637 F N -1.197 118.716 119.950 -0.061 0.000 2.815 1637 F HA 0.571 5.105 4.527 0.012 0.000 0.328 1637 F C 1.623 177.373 175.800 -0.082 0.000 0.982 1637 F CA 0.570 58.531 58.000 -0.065 0.000 1.154 1637 F CB 0.119 39.078 39.000 -0.067 0.000 0.980 1637 F HN 0.223 nan 8.300 nan 0.000 0.603 1638 G N 0.690 109.522 108.800 0.054 0.000 2.569 1638 G HA2 -0.298 3.670 3.960 0.012 0.000 0.259 1638 G HA3 -0.298 3.670 3.960 0.012 0.000 0.259 1638 G C -0.497 174.368 174.900 -0.060 0.000 1.263 1638 G CA -0.555 44.523 45.100 -0.036 0.000 0.928 1638 G HN 0.313 nan 8.290 nan 0.000 0.572 1639 c N 2.170 120.725 118.600 -0.075 0.000 2.514 1639 c HA 0.514 5.091 4.570 0.012 0.000 0.392 1639 c C 0.268 174.329 174.090 -0.049 0.000 1.294 1639 c CA 0.150 56.428 56.329 -0.086 0.000 1.957 1639 c CB 0.860 43.311 42.510 -0.099 0.000 2.541 1639 c HN 0.657 nan 8.230 nan 0.000 0.569 1640 P HA -0.045 nan 4.420 nan 0.000 0.218 1640 P C 0.313 177.595 177.300 -0.030 0.000 1.149 1640 P CA 1.374 64.451 63.100 -0.038 0.000 0.817 1640 P CB 0.200 31.866 31.700 -0.056 0.000 0.785 1641 N N 0.000 118.677 118.700 -0.038 0.000 1.763 1641 N HA 0.000 4.747 4.740 0.012 0.000 0.220 1641 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 1641 N CB 0.000 38.469 38.487 -0.030 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667