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 2wii_1_B DATA FIRST_RESID 730 DATA SEQUENCE DEDIIAEENI VSRSEFPESW LWNVEDLKEP PKNGISTKLM NIFLKDSITT DATA SEQUENCE WEILAVSMSD KKGICVADPF EVTVMQDFFI DLRLPYSVVR NEQVEIRAVL DATA SEQUENCE YNYRQNQELK VRVELLHNPA FcSLATTKRR HQQTVTIPPK SSLSVPYVIV DATA SEQUENCE PLKTGLQEVE VKAAVYHHFI SDGVRKSLKV VPEGIRMNKT VAVRTLDPER DATA SEQUENCE LGREGVQKED IPPADLSDQV PDTESETRIL LQGTPVAQMT EDAVDAERLK DATA SEQUENCE HLIVTPSGCG EQNMIGMTPT VIAVHYLDET EQWEKFGLEK RQGALELIKK DATA SEQUENCE GYTQQLAFRQ PSSAFAAFVK RAPSTWLTAY VVKVFSLAVN LIAIDSQVLc DATA SEQUENCE GAVKWLILEK QKPDGVFQED APVIHQEMIG GLRNNNEKDM ALTAFVLISL DATA SEQUENCE QEAKDIcEEQ VNSLPGSITK AGDFLEANYM NLQRSYTVAI AGYALAQMGR DATA SEQUENCE LKGPLLNKFL TTAKDKNRWE DPGKQLYNVE ATSYALLALL QLKDFDFVPP DATA SEQUENCE VVRWLNEQRY YGGGYGSTQA TFMVFQALAQ YQKDAPDHQE LNLDVSLQLP DATA SEQUENCE SRSSKITHRI HWESASLLRS EETKENEGFT VTAEGKGQGT LSVVTMYHAK DATA SEQUENCE AKDQLTcNKF DLKVTIKPAP XXXXXXXXXK NTMILEICTR YRGDQDATMS DATA SEQUENCE ILDISMMTGF APDTDDLKQL ANGVDRYISK YELDKAFSDR NTLIIYLDKV DATA SEQUENCE SHSEDDCLAF KVHQYFNVEL IQPGAVKVYA YYNLEEScTR FYHPEKEXXX DATA SEQUENCE XXXXcRDELc RcAEENcFIQ KSDDKVTLEE RLDKAcEPGV DYVYKTRLVK DATA SEQUENCE VQLSNDFDEY IMAIEQTIKS GSDEVQVGQQ RTFISPIKcR EALKLEEKKH DATA SEQUENCE YLMWGLSSDF WGEKPNLSYI IGKDTWVEHW PEEDEcQDEE NQKQcQDLGA DATA SEQUENCE FTESMVVFGc PN 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 730 D HA 0.000 nan 4.640 nan 0.000 0.175 730 D C 0.000 176.342 176.300 0.070 0.000 2.045 730 D CA 0.000 54.048 54.000 0.080 0.000 0.868 730 D CB 0.000 40.892 40.800 0.154 0.000 0.688 731 E N 0.990 121.247 120.200 0.094 0.000 2.227 731 E HA 0.406 4.758 4.350 0.003 0.000 0.268 731 E C -0.903 175.740 176.600 0.070 0.000 0.907 731 E CA -0.449 55.993 56.400 0.071 0.000 0.786 731 E CB 1.226 30.965 29.700 0.065 0.000 1.191 731 E HN 0.362 nan 8.360 nan 0.000 0.411 732 D N 0.907 121.331 120.400 0.040 0.000 2.697 732 D HA -0.195 4.447 4.640 0.003 0.000 0.238 732 D C -0.745 175.530 176.300 -0.043 0.000 1.152 732 D CA 0.963 54.966 54.000 0.004 0.000 0.666 732 D CB -0.849 39.922 40.800 -0.048 0.000 1.037 732 D HN 0.467 nan 8.370 nan 0.000 0.423 733 I N -0.124 120.425 120.570 -0.036 0.000 2.771 733 I HA 0.132 4.303 4.170 0.003 0.000 0.291 733 I C -0.572 175.515 176.117 -0.050 0.000 1.527 733 I CA -0.904 60.321 61.300 -0.126 0.000 1.024 733 I CB 1.353 39.151 38.000 -0.336 0.000 1.388 733 I HN -0.229 nan 8.210 nan 0.000 0.447 734 I N 5.176 125.718 120.570 -0.047 0.000 2.710 734 I HA 0.142 4.313 4.170 0.003 0.000 0.286 734 I C 1.033 177.135 176.117 -0.025 0.000 1.181 734 I CA 0.198 61.492 61.300 -0.010 0.000 1.430 734 I CB 0.577 38.548 38.000 -0.048 0.000 1.367 734 I HN 0.621 nan 8.210 nan 0.000 0.577 735 A N 6.072 128.895 122.820 0.004 0.000 2.445 735 A HA 0.055 4.376 4.320 0.003 0.000 0.242 735 A C 1.432 179.014 177.584 -0.003 0.000 1.075 735 A CA -0.279 51.759 52.037 0.003 0.000 0.777 735 A CB 0.238 19.249 19.000 0.017 0.000 1.013 735 A HN 0.848 nan 8.150 nan 0.000 0.493 736 E N 0.717 120.916 120.200 -0.002 0.000 2.118 736 E HA -0.201 4.151 4.350 0.003 0.000 0.195 736 E C 1.364 177.968 176.600 0.006 0.000 0.992 736 E CA 1.573 57.974 56.400 0.001 0.000 0.804 736 E CB 0.048 29.753 29.700 0.007 0.000 0.741 736 E HN 0.789 nan 8.360 nan 0.000 0.458 737 E N 0.322 120.528 120.200 0.010 0.000 2.274 737 E HA -0.106 4.246 4.350 0.003 0.000 0.194 737 E C 1.307 177.913 176.600 0.010 0.000 0.996 737 E CA 0.395 56.802 56.400 0.011 0.000 0.840 737 E CB 0.003 29.711 29.700 0.014 0.000 0.772 737 E HN 0.216 nan 8.360 nan 0.000 0.491 738 N N 0.151 118.857 118.700 0.011 0.000 2.467 738 N HA 0.037 4.779 4.740 0.003 0.000 0.184 738 N C 0.308 175.816 175.510 -0.003 0.000 1.106 738 N CA 0.287 53.344 53.050 0.011 0.000 0.892 738 N CB 0.394 38.897 38.487 0.025 0.000 0.969 738 N HN 0.193 nan 8.380 nan 0.000 0.454 739 I N 1.195 121.762 120.570 -0.006 0.000 2.315 739 I HA 0.172 4.343 4.170 0.003 0.000 0.291 739 I C -0.339 175.776 176.117 -0.003 0.000 1.006 739 I CA -0.667 60.627 61.300 -0.009 0.000 1.265 739 I CB 1.584 39.583 38.000 -0.002 0.000 1.387 739 I HN -0.361 nan 8.210 nan 0.000 0.475 740 V N 5.477 125.386 119.914 -0.008 0.000 2.328 740 V HA 0.210 4.332 4.120 0.003 0.000 0.278 740 V C 0.381 176.471 176.094 -0.006 0.000 1.021 740 V CA -0.496 61.798 62.300 -0.010 0.000 0.838 740 V CB 1.102 32.912 31.823 -0.021 0.000 0.999 740 V HN 0.778 nan 8.190 nan 0.000 0.447 741 S N 4.803 120.506 115.700 0.005 0.000 2.572 741 S HA 0.280 4.752 4.470 0.003 0.000 0.279 741 S C 0.492 175.096 174.600 0.006 0.000 1.341 741 S CA -0.458 57.758 58.200 0.026 0.000 1.043 741 S CB 0.331 63.556 63.200 0.043 0.000 0.887 741 S HN 0.640 nan 8.310 nan 0.000 0.516 742 R N 1.629 122.149 120.500 0.034 0.000 2.449 742 R HA 0.116 4.458 4.340 0.003 0.000 0.296 742 R C 0.987 177.199 176.300 -0.146 0.000 1.047 742 R CA 0.091 56.152 56.100 -0.065 0.000 1.018 742 R CB 0.270 30.590 30.300 0.033 0.000 0.962 742 R HN 0.833 nan 8.270 nan 0.000 0.428 743 S N 0.783 116.245 115.700 -0.398 0.000 2.593 743 S HA 0.066 4.537 4.470 0.003 0.000 0.235 743 S C 0.225 174.450 174.600 -0.626 0.000 1.059 743 S CA -0.493 57.514 58.200 -0.322 0.000 0.953 743 S CB 0.519 63.646 63.200 -0.121 0.000 0.897 743 S HN 0.433 nan 8.310 nan 0.000 0.507 744 E N 1.924 121.675 120.200 -0.748 0.000 1.932 744 E HA 0.262 4.614 4.350 0.003 0.000 0.275 744 E C -1.445 174.723 176.600 -0.720 0.000 1.159 744 E CA -0.011 56.049 56.400 -0.567 0.000 0.905 744 E CB -0.069 29.382 29.700 -0.416 0.000 1.059 744 E HN 0.503 nan 8.360 nan 0.000 0.400 745 F N 2.813 122.763 119.950 0.000 0.000 2.597 745 F HA 0.278 4.805 4.527 0.001 0.000 0.336 745 F C -1.919 173.944 175.800 0.106 0.000 1.432 745 F CA -2.237 55.799 58.000 0.061 0.000 1.120 745 F CB 0.501 39.528 39.000 0.045 0.000 1.253 745 F HN 0.083 nan 8.300 nan 0.000 0.546 746 P HA 0.177 nan 4.420 nan 0.000 0.275 746 P C 0.660 178.195 177.300 0.391 0.000 1.227 746 P CA -0.113 63.119 63.100 0.219 0.000 0.781 746 P CB 1.057 32.823 31.700 0.110 0.000 0.906 747 E N 0.250 120.636 120.200 0.310 0.000 2.347 747 E HA 0.002 4.353 4.350 0.003 0.000 0.196 747 E C 0.152 176.997 176.600 0.408 0.000 1.008 747 E CA 0.630 57.227 56.400 0.328 0.000 0.852 747 E CB 0.155 29.971 29.700 0.195 0.000 0.783 747 E HN 0.560 nan 8.360 nan 0.000 0.505 748 S N -0.260 115.661 115.700 0.368 0.000 2.533 748 S HA 0.512 4.984 4.470 0.003 0.000 0.271 748 S C -1.070 173.743 174.600 0.356 0.000 1.143 748 S CA -1.162 57.239 58.200 0.335 0.000 0.891 748 S CB 1.437 64.746 63.200 0.181 0.000 1.105 748 S HN 0.334 nan 8.310 nan 0.000 0.468 749 W N 1.039 122.336 121.300 -0.004 0.000 2.955 749 W HA 0.679 5.338 4.660 -0.001 0.000 0.428 749 W C -0.580 175.956 176.519 0.028 0.000 1.041 749 W CA -1.066 56.262 57.345 -0.028 0.000 1.220 749 W CB -0.425 28.938 29.460 -0.162 0.000 1.459 749 W HN 1.261 nan 8.180 nan 0.000 0.618 750 L N 1.713 122.970 121.223 0.056 0.000 3.678 750 L HA -0.226 4.116 4.340 0.003 0.000 0.425 750 L C 0.036 176.894 176.870 -0.021 0.000 1.240 750 L CA 0.334 55.065 54.840 -0.181 0.000 0.876 750 L CB -1.231 40.342 42.059 -0.810 0.000 1.766 750 L HN 0.583 nan 8.230 nan 0.000 0.917 751 W N 2.621 123.884 121.300 -0.061 0.000 1.438 751 W HA 0.240 4.901 4.660 0.001 0.000 0.455 751 W C 0.268 176.771 176.519 -0.027 0.000 0.656 751 W CA -0.419 56.901 57.345 -0.041 0.000 2.049 751 W CB -0.059 29.399 29.460 -0.003 0.000 1.683 751 W HN 0.414 nan 8.180 nan 0.000 0.228 752 N N 0.850 119.456 118.700 -0.155 0.000 2.619 752 N HA 0.520 5.262 4.740 0.003 0.000 0.294 752 N C -1.070 174.312 175.510 -0.214 0.000 1.279 752 N CA -0.688 52.283 53.050 -0.131 0.000 0.867 752 N CB 1.768 40.221 38.487 -0.057 0.000 1.329 752 N HN -0.169 nan 8.380 nan 0.000 0.557 753 V N 0.278 120.109 119.914 -0.139 0.000 2.709 753 V HA 0.463 4.584 4.120 0.003 0.000 0.308 753 V C -0.731 175.307 176.094 -0.093 0.000 1.062 753 V CA -0.681 61.536 62.300 -0.137 0.000 0.901 753 V CB 2.154 33.905 31.823 -0.119 0.000 1.003 753 V HN 0.500 nan 8.190 nan 0.000 0.425 754 E N 1.880 122.024 120.200 -0.094 0.000 2.317 754 E HA 0.516 4.868 4.350 0.003 0.000 0.270 754 E C -1.738 174.823 176.600 -0.065 0.000 0.885 754 E CA -0.735 55.622 56.400 -0.072 0.000 0.760 754 E CB 2.767 32.422 29.700 -0.074 0.000 1.227 754 E HN 0.592 nan 8.360 nan 0.000 0.434 755 D N 2.041 122.410 120.400 -0.051 0.000 2.408 755 D HA 0.290 4.932 4.640 0.003 0.000 0.243 755 D C -0.085 176.190 176.300 -0.042 0.000 1.075 755 D CA -0.433 53.540 54.000 -0.045 0.000 0.832 755 D CB 1.421 42.199 40.800 -0.037 0.000 1.162 755 D HN 0.216 nan 8.370 nan 0.000 0.515 756 L N 2.988 124.185 121.223 -0.043 0.000 2.415 756 L HA 0.175 4.517 4.340 0.003 0.000 0.269 756 L C 1.382 178.232 176.870 -0.033 0.000 1.244 756 L CA 0.186 55.001 54.840 -0.040 0.000 1.113 756 L CB -0.048 41.986 42.059 -0.043 0.000 1.352 756 L HN 0.109 nan 8.230 nan 0.000 0.433 757 K N 0.545 120.927 120.400 -0.030 0.000 2.358 757 K HA 0.108 4.429 4.320 0.003 0.000 0.197 757 K C 0.113 176.699 176.600 -0.023 0.000 1.025 757 K CA -0.191 56.081 56.287 -0.025 0.000 1.104 757 K CB 0.493 32.980 32.500 -0.022 0.000 0.855 757 K HN 0.413 nan 8.250 nan 0.000 0.531 758 E N 1.626 121.810 120.200 -0.025 0.000 2.398 758 E HA 0.060 4.412 4.350 0.003 0.000 0.263 758 E C -2.515 174.071 176.600 -0.022 0.000 1.046 758 E CA -2.005 54.381 56.400 -0.024 0.000 0.908 758 E CB -0.038 29.646 29.700 -0.027 0.000 0.963 758 E HN -0.120 nan 8.360 nan 0.000 0.431 759 P HA 0.028 nan 4.420 nan 0.000 0.260 759 P C -2.407 174.881 177.300 -0.019 0.000 1.185 759 P CA -0.655 62.434 63.100 -0.018 0.000 0.763 759 P CB -0.130 31.561 31.700 -0.015 0.000 0.776 760 P HA 0.195 nan 4.420 nan 0.000 0.271 760 P C -0.530 176.759 177.300 -0.018 0.000 1.216 760 P CA 0.064 63.152 63.100 -0.020 0.000 0.776 760 P CB 0.694 32.383 31.700 -0.019 0.000 0.881 761 K N 2.938 123.326 120.400 -0.020 0.000 2.521 761 K HA 0.233 4.555 4.320 0.003 0.000 0.248 761 K C -0.456 176.133 176.600 -0.018 0.000 0.978 761 K CA -0.496 55.780 56.287 -0.018 0.000 0.947 761 K CB 0.535 33.024 32.500 -0.019 0.000 1.165 761 K HN 0.328 nan 8.250 nan 0.000 0.445 762 N N 1.824 120.515 118.700 -0.015 0.000 2.754 762 N HA -0.189 4.553 4.740 0.003 0.000 0.248 762 N C 0.567 176.068 175.510 -0.016 0.000 1.093 762 N CA 1.433 54.474 53.050 -0.015 0.000 0.699 762 N CB -1.371 37.107 38.487 -0.014 0.000 1.016 762 N HN 1.085 nan 8.380 nan 0.000 0.552 763 G N -1.298 107.492 108.800 -0.017 0.000 2.179 763 G HA2 -0.304 3.658 3.960 0.003 0.000 0.260 763 G HA3 -0.304 3.658 3.960 0.003 0.000 0.260 763 G C 0.006 174.894 174.900 -0.021 0.000 0.977 763 G CA 0.391 45.480 45.100 -0.018 0.000 0.641 763 G HN 0.500 nan 8.290 nan 0.000 0.533 764 I N 1.872 122.428 120.570 -0.023 0.000 2.382 764 I HA 0.415 4.586 4.170 0.003 0.000 0.286 764 I C -0.046 176.053 176.117 -0.030 0.000 1.002 764 I CA -0.583 60.700 61.300 -0.028 0.000 1.135 764 I CB 1.922 39.905 38.000 -0.029 0.000 1.288 764 I HN 0.025 nan 8.210 nan 0.000 0.448 765 S N 3.902 119.583 115.700 -0.033 0.000 2.480 765 S HA 0.471 4.943 4.470 0.003 0.000 0.286 765 S C -0.029 174.546 174.600 -0.041 0.000 1.180 765 S CA -0.475 57.704 58.200 -0.034 0.000 1.075 765 S CB 1.453 64.633 63.200 -0.033 0.000 0.996 765 S HN 0.526 nan 8.310 nan 0.000 0.487 766 T N 3.633 118.162 114.554 -0.041 0.000 2.823 766 T HA 0.474 4.825 4.350 0.003 0.000 0.279 766 T C -0.421 174.250 174.700 -0.048 0.000 0.998 766 T CA -0.679 61.392 62.100 -0.049 0.000 0.994 766 T CB 1.022 69.862 68.868 -0.048 0.000 0.960 766 T HN 0.441 nan 8.240 nan 0.000 0.448 767 K N 3.328 123.694 120.400 -0.057 0.000 2.471 767 K HA 0.502 4.823 4.320 0.003 0.000 0.252 767 K C -1.199 175.365 176.600 -0.061 0.000 0.938 767 K CA -0.712 55.542 56.287 -0.054 0.000 0.796 767 K CB 1.144 33.612 32.500 -0.053 0.000 1.161 767 K HN 0.503 nan 8.250 nan 0.000 0.425 768 L N 5.382 126.573 121.223 -0.053 0.000 2.260 768 L HA 0.417 4.759 4.340 0.003 0.000 0.289 768 L C 0.040 176.878 176.870 -0.053 0.000 1.057 768 L CA -0.310 54.496 54.840 -0.056 0.000 0.811 768 L CB 1.099 43.130 42.059 -0.047 0.000 1.184 768 L HN 0.587 nan 8.230 nan 0.000 0.429 769 M N 4.332 123.895 119.600 -0.062 0.000 2.167 769 M HA 0.393 4.874 4.480 0.003 0.000 0.333 769 M C -1.112 175.152 176.300 -0.060 0.000 1.030 769 M CA -0.536 54.730 55.300 -0.056 0.000 0.963 769 M CB 1.194 33.757 32.600 -0.063 0.000 1.589 769 M HN 0.446 nan 8.290 nan 0.000 0.431 770 N N 6.662 125.327 118.700 -0.059 0.000 2.419 770 N HA 0.517 5.259 4.740 0.003 0.000 0.264 770 N C -0.853 174.601 175.510 -0.095 0.000 1.031 770 N CA -0.163 52.827 53.050 -0.101 0.000 0.951 770 N CB 0.963 39.382 38.487 -0.112 0.000 1.101 770 N HN 0.758 nan 8.380 nan 0.000 0.488 771 I N -1.941 118.553 120.570 -0.127 0.000 2.892 771 I HA 0.634 4.805 4.170 0.003 0.000 0.306 771 I C -1.193 174.834 176.117 -0.151 0.000 1.078 771 I CA -0.995 60.294 61.300 -0.018 0.000 1.032 771 I CB 1.693 39.746 38.000 0.089 0.000 1.229 771 I HN 0.041 nan 8.210 nan 0.000 0.435 772 F N 4.059 124.081 119.950 0.121 0.000 2.388 772 F HA 0.537 5.066 4.527 0.004 0.000 0.358 772 F C 0.037 175.807 175.800 -0.050 0.000 1.122 772 F CA -0.533 57.487 58.000 0.034 0.000 1.056 772 F CB 1.589 40.576 39.000 -0.023 0.000 1.155 772 F HN 0.290 nan 8.300 nan 0.000 0.461 773 L N 4.609 125.892 121.223 0.099 0.000 2.483 773 L HA 0.122 4.463 4.340 0.003 0.000 0.276 773 L C 0.754 177.425 176.870 -0.333 0.000 1.213 773 L CA -0.373 54.426 54.840 -0.069 0.000 0.843 773 L CB 0.193 42.321 42.059 0.114 0.000 1.107 773 L HN 0.475 nan 8.230 nan 0.000 0.487 774 K N 1.316 121.302 120.400 -0.689 0.000 2.140 774 K HA 0.064 4.385 4.320 0.003 0.000 0.237 774 K C 0.480 176.978 176.600 -0.171 0.000 1.045 774 K CA -0.374 55.571 56.287 -0.569 0.000 0.896 774 K CB 0.409 32.416 32.500 -0.822 0.000 1.122 774 K HN 0.464 nan 8.250 nan 0.000 0.503 775 D N 0.194 120.459 120.400 -0.225 0.000 2.234 775 D HA -0.034 4.608 4.640 0.003 0.000 0.205 775 D C -0.038 176.306 176.300 0.073 0.000 0.962 775 D CA 0.612 54.506 54.000 -0.177 0.000 0.855 775 D CB -0.001 40.497 40.800 -0.503 0.000 0.951 775 D HN 0.250 nan 8.370 nan 0.000 0.500 776 S N 1.246 117.097 115.700 0.251 0.000 2.563 776 S HA -0.004 4.468 4.470 0.003 0.000 0.294 776 S C 0.706 175.350 174.600 0.073 0.000 1.279 776 S CA -0.080 58.343 58.200 0.371 0.000 1.069 776 S CB 0.649 64.072 63.200 0.373 0.000 0.828 776 S HN 0.105 nan 8.310 nan 0.000 0.497 777 I N 4.202 124.714 120.570 -0.095 0.000 2.243 777 I HA 0.252 4.423 4.170 0.003 0.000 0.297 777 I C 0.776 176.674 176.117 -0.366 0.000 1.161 777 I CA 0.411 61.519 61.300 -0.319 0.000 1.298 777 I CB -0.911 36.691 38.000 -0.663 0.000 1.475 777 I HN 0.605 nan 8.210 nan 0.000 0.561 778 T N 3.423 117.738 114.554 -0.399 0.000 2.658 778 T HA 0.325 4.677 4.350 0.003 0.000 0.305 778 T C -0.665 173.716 174.700 -0.531 0.000 1.551 778 T CA -0.253 61.562 62.100 -0.474 0.000 0.985 778 T CB 1.683 70.213 68.868 -0.564 0.000 1.731 778 T HN 0.345 nan 8.240 nan 0.000 0.486 779 T N 2.247 116.528 114.554 -0.456 0.000 2.767 779 T HA 0.502 4.853 4.350 0.003 0.000 0.288 779 T C -0.916 173.572 174.700 -0.353 0.000 0.963 779 T CA -0.137 61.764 62.100 -0.333 0.000 1.019 779 T CB 0.131 68.879 68.868 -0.200 0.000 0.923 779 T HN 0.404 nan 8.240 nan 0.000 0.468 780 W N 1.899 123.203 121.300 0.007 0.000 2.365 780 W HA 0.407 5.068 4.660 0.002 0.000 0.316 780 W C 0.764 177.256 176.519 -0.045 0.000 1.164 780 W CA -0.771 56.597 57.345 0.039 0.000 1.204 780 W CB 0.722 30.260 29.460 0.131 0.000 1.213 780 W HN 0.534 nan 8.180 nan 0.000 0.539 781 E N 3.771 124.103 120.200 0.220 0.000 2.073 781 E HA 0.286 4.638 4.350 0.003 0.000 0.269 781 E C -0.835 175.818 176.600 0.087 0.000 0.917 781 E CA -0.461 55.995 56.400 0.094 0.000 0.757 781 E CB 0.515 30.253 29.700 0.063 0.000 1.111 781 E HN 0.403 nan 8.360 nan 0.000 0.410 782 I N 5.591 126.204 120.570 0.072 0.000 2.312 782 I HA 0.125 4.297 4.170 0.003 0.000 0.291 782 I C -0.281 175.866 176.117 0.050 0.000 1.031 782 I CA -0.548 60.774 61.300 0.037 0.000 1.293 782 I CB 0.571 38.618 38.000 0.079 0.000 1.403 782 I HN 0.345 nan 8.210 nan 0.000 0.484 783 L N 7.599 128.828 121.223 0.010 0.000 2.309 783 L HA 0.791 5.133 4.340 0.003 0.000 0.282 783 L C -0.269 176.580 176.870 -0.036 0.000 1.036 783 L CA -0.146 54.699 54.840 0.008 0.000 0.806 783 L CB 1.350 43.422 42.059 0.022 0.000 1.220 783 L HN 0.649 nan 8.230 nan 0.000 0.429 784 A N 4.946 127.743 122.820 -0.038 0.000 2.356 784 A HA 0.813 5.135 4.320 0.003 0.000 0.310 784 A C -1.458 176.086 177.584 -0.067 0.000 1.075 784 A CA -0.536 51.458 52.037 -0.073 0.000 0.746 784 A CB 1.531 20.486 19.000 -0.074 0.000 1.221 784 A HN 0.509 nan 8.150 nan 0.000 0.443 785 V N 1.956 121.816 119.914 -0.090 0.000 2.604 785 V HA 0.740 4.862 4.120 0.003 0.000 0.305 785 V C 0.241 176.286 176.094 -0.082 0.000 1.043 785 V CA -0.338 61.917 62.300 -0.075 0.000 0.888 785 V CB 1.902 33.681 31.823 -0.073 0.000 0.995 785 V HN 1.144 nan 8.190 nan 0.000 0.429 786 S N 4.069 119.732 115.700 -0.063 0.000 2.566 786 S HA 0.925 5.397 4.470 0.003 0.000 0.298 786 S C -0.846 173.724 174.600 -0.049 0.000 1.083 786 S CA -0.778 57.386 58.200 -0.060 0.000 0.978 786 S CB 2.073 65.241 63.200 -0.054 0.000 1.073 786 S HN 0.684 nan 8.310 nan 0.000 0.491 787 M N 2.483 122.054 119.600 -0.048 0.000 2.263 787 M HA 0.656 5.138 4.480 0.003 0.000 0.295 787 M C -0.935 175.345 176.300 -0.034 0.000 1.028 787 M CA -0.066 55.211 55.300 -0.038 0.000 0.921 787 M CB 2.059 34.636 32.600 -0.038 0.000 1.601 787 M HN 0.854 nan 8.290 nan 0.000 0.440 788 S N 2.206 117.889 115.700 -0.027 0.000 2.548 788 S HA 0.481 4.953 4.470 0.003 0.000 0.286 788 S C 0.045 174.633 174.600 -0.020 0.000 1.098 788 S CA -0.673 57.512 58.200 -0.025 0.000 0.930 788 S CB 1.071 64.256 63.200 -0.024 0.000 1.070 788 S HN 0.802 nan 8.310 nan 0.000 0.480 789 D N 2.375 122.764 120.400 -0.018 0.000 2.178 789 D HA -0.045 4.597 4.640 0.003 0.000 0.201 789 D C 1.292 177.584 176.300 -0.014 0.000 0.980 789 D CA 1.239 55.230 54.000 -0.015 0.000 0.842 789 D CB 0.278 41.069 40.800 -0.014 0.000 0.948 789 D HN 0.426 nan 8.370 nan 0.000 0.472 790 K N 0.127 120.519 120.400 -0.014 0.000 2.240 790 K HA 0.105 4.427 4.320 0.003 0.000 0.202 790 K C 1.972 178.564 176.600 -0.013 0.000 1.053 790 K CA 0.232 56.511 56.287 -0.013 0.000 0.973 790 K CB 0.128 32.620 32.500 -0.013 0.000 0.924 790 K HN -0.042 nan 8.250 nan 0.000 0.477 791 K N 0.703 121.094 120.400 -0.015 0.000 2.103 791 K HA 0.028 4.349 4.320 0.003 0.000 0.204 791 K C 1.286 177.877 176.600 -0.015 0.000 1.052 791 K CA 1.063 57.341 56.287 -0.016 0.000 0.945 791 K CB -0.212 32.277 32.500 -0.018 0.000 0.722 791 K HN 0.374 nan 8.250 nan 0.000 0.443 792 G N 1.162 109.952 108.800 -0.016 0.000 2.512 792 G HA2 -0.245 3.717 3.960 0.003 0.000 0.210 792 G HA3 -0.245 3.717 3.960 0.003 0.000 0.210 792 G C -0.577 174.311 174.900 -0.019 0.000 1.295 792 G CA -0.263 44.827 45.100 -0.016 0.000 0.934 792 G HN 0.214 nan 8.290 nan 0.000 0.554 793 I N 0.005 120.565 120.570 -0.017 0.000 2.532 793 I HA 0.589 4.761 4.170 0.003 0.000 0.292 793 I C 0.135 176.240 176.117 -0.019 0.000 1.014 793 I CA -0.385 60.903 61.300 -0.020 0.000 1.340 793 I CB 1.038 39.029 38.000 -0.016 0.000 1.422 793 I HN 0.979 nan 8.210 nan 0.000 0.528 794 C N 7.110 126.396 119.300 -0.024 0.000 2.752 794 C HA 0.515 4.977 4.460 0.003 0.000 0.360 794 C C -0.971 174.004 174.990 -0.024 0.000 1.081 794 C CA -0.448 58.557 59.018 -0.022 0.000 1.272 794 C CB 0.677 28.403 27.740 -0.024 0.000 1.754 794 C HN 0.530 nan 8.230 nan 0.000 0.483 795 V N 6.130 126.033 119.914 -0.017 0.000 2.370 795 V HA 0.692 4.813 4.120 0.003 0.000 0.279 795 V C 0.941 177.028 176.094 -0.012 0.000 1.029 795 V CA 0.069 62.360 62.300 -0.015 0.000 0.870 795 V CB 1.157 32.977 31.823 -0.006 0.000 0.984 795 V HN 1.132 nan 8.190 nan 0.000 0.451 796 A N 3.881 126.692 122.820 -0.015 0.000 2.287 796 A HA 0.507 4.828 4.320 0.003 0.000 0.273 796 A C -0.025 177.565 177.584 0.009 0.000 1.091 796 A CA -0.552 51.480 52.037 -0.009 0.000 0.817 796 A CB 0.223 19.211 19.000 -0.020 0.000 1.069 796 A HN 0.766 nan 8.150 nan 0.000 0.492 797 D N 1.144 121.555 120.400 0.019 0.000 2.382 797 D HA 0.377 5.018 4.640 0.003 0.000 0.245 797 D C -2.235 174.103 176.300 0.064 0.000 1.120 797 D CA -0.584 53.438 54.000 0.036 0.000 0.890 797 D CB 0.204 41.028 40.800 0.039 0.000 1.201 797 D HN 0.184 nan 8.370 nan 0.000 0.433 798 P HA 0.053 nan 4.420 nan 0.000 0.263 798 P C -0.637 176.743 177.300 0.133 0.000 1.195 798 P CA -0.093 63.054 63.100 0.079 0.000 0.762 798 P CB 0.055 31.782 31.700 0.045 0.000 0.799 799 F N 3.378 123.326 119.950 -0.003 0.000 2.415 799 F HA 0.302 4.831 4.527 0.003 0.000 0.348 799 F C 0.247 176.060 175.800 0.022 0.000 1.119 799 F CA -0.707 57.294 58.000 0.002 0.000 1.069 799 F CB 1.064 40.058 39.000 -0.011 0.000 1.124 799 F HN 0.262 nan 8.300 nan 0.000 0.472 800 E N 4.435 124.224 120.200 -0.686 0.000 2.204 800 E HA 0.567 4.919 4.350 0.003 0.000 0.276 800 E C -1.308 174.870 176.600 -0.703 0.000 0.974 800 E CA -1.003 55.098 56.400 -0.499 0.000 0.815 800 E CB 2.479 32.018 29.700 -0.269 0.000 1.119 800 E HN 0.398 nan 8.360 nan 0.000 0.393 801 V N 2.231 121.974 119.914 -0.285 0.000 2.482 801 V HA 0.198 4.320 4.120 0.003 0.000 0.295 801 V C -0.184 175.904 176.094 -0.010 0.000 1.026 801 V CA -0.896 61.330 62.300 -0.123 0.000 0.856 801 V CB 1.683 33.560 31.823 0.090 0.000 1.001 801 V HN 0.824 nan 8.190 nan 0.000 0.424 802 T N 2.285 116.805 114.554 -0.055 0.000 2.743 802 T HA 0.698 5.049 4.350 0.003 0.000 0.293 802 T C -0.479 174.204 174.700 -0.028 0.000 0.945 802 T CA -0.571 61.483 62.100 -0.075 0.000 1.030 802 T CB 1.243 70.050 68.868 -0.102 0.000 0.912 802 T HN 0.302 nan 8.240 nan 0.000 0.483 803 V N 5.632 125.518 119.914 -0.047 0.000 2.417 803 V HA 0.672 4.794 4.120 0.003 0.000 0.291 803 V C -0.048 175.975 176.094 -0.118 0.000 1.024 803 V CA -0.760 61.533 62.300 -0.010 0.000 0.861 803 V CB 1.254 33.145 31.823 0.114 0.000 0.985 803 V HN 1.042 nan 8.190 nan 0.000 0.436 804 M N 3.568 123.109 119.600 -0.098 0.000 2.644 804 M HA 0.546 5.028 4.480 0.003 0.000 0.273 804 M C -1.951 174.324 176.300 -0.042 0.000 1.253 804 M CA -0.462 54.743 55.300 -0.158 0.000 0.852 804 M CB 3.105 35.609 32.600 -0.161 0.000 1.708 804 M HN 0.697 nan 8.290 nan 0.000 0.471 805 Q N 0.441 120.265 119.800 0.040 0.000 2.421 805 Q HA 0.271 4.613 4.340 0.003 0.000 0.280 805 Q C -0.679 175.561 176.000 0.400 0.000 1.085 805 Q CA -0.890 55.041 55.803 0.214 0.000 0.807 805 Q CB 2.305 31.183 28.738 0.233 0.000 1.405 805 Q HN 0.652 nan 8.270 nan 0.000 0.419 806 D N 0.327 120.916 120.400 0.315 0.000 2.117 806 D HA -0.072 4.569 4.640 0.003 0.000 0.197 806 D C -0.179 176.355 176.300 0.391 0.000 0.987 806 D CA 1.568 55.765 54.000 0.329 0.000 0.829 806 D CB 0.233 41.164 40.800 0.218 0.000 0.961 806 D HN 0.262 nan 8.370 nan 0.000 0.460 807 F N 0.779 120.850 119.950 0.202 0.000 2.536 807 F HA 0.431 4.957 4.527 -0.000 0.000 0.322 807 F C -1.390 174.538 175.800 0.213 0.000 1.144 807 F CA -1.175 56.879 58.000 0.091 0.000 0.924 807 F CB 0.890 39.902 39.000 0.021 0.000 1.181 807 F HN -0.185 nan 8.300 nan 0.000 0.438 808 F N 4.759 124.354 119.950 -0.593 0.000 2.711 808 F HA 0.794 5.319 4.527 -0.003 0.000 0.313 808 F C -1.999 173.541 175.800 -0.433 0.000 1.141 808 F CA -1.737 55.968 58.000 -0.492 0.000 0.941 808 F CB 1.131 40.054 39.000 -0.128 0.000 1.349 808 F HN 0.239 nan 8.300 nan 0.000 0.464 809 I N 1.306 121.872 120.570 -0.006 0.000 2.441 809 I HA 0.360 4.532 4.170 0.003 0.000 0.295 809 I C -1.362 174.887 176.117 0.219 0.000 0.994 809 I CA -0.553 60.758 61.300 0.018 0.000 1.144 809 I CB 1.778 39.762 38.000 -0.026 0.000 1.314 809 I HN 0.554 nan 8.210 nan 0.000 0.445 810 D N 6.105 126.640 120.400 0.225 0.000 2.464 810 D HA 0.273 4.915 4.640 0.003 0.000 0.243 810 D C -1.082 175.266 176.300 0.078 0.000 1.104 810 D CA -0.485 53.632 54.000 0.194 0.000 0.883 810 D CB 1.128 42.143 40.800 0.358 0.000 1.050 810 D HN 0.213 nan 8.370 nan 0.000 0.524 811 L N 4.737 125.962 121.223 0.003 0.000 2.312 811 L HA 0.358 4.700 4.340 0.003 0.000 0.287 811 L C -0.279 176.568 176.870 -0.039 0.000 1.091 811 L CA -0.197 54.636 54.840 -0.011 0.000 0.846 811 L CB 0.093 42.133 42.059 -0.032 0.000 1.219 811 L HN 0.169 nan 8.230 nan 0.000 0.439 812 R N 5.446 125.943 120.500 -0.005 0.000 2.248 812 R HA 0.340 4.682 4.340 0.003 0.000 0.337 812 R C -0.997 175.296 176.300 -0.011 0.000 1.106 812 R CA -0.598 55.497 56.100 -0.009 0.000 0.959 812 R CB 0.196 30.503 30.300 0.012 0.000 1.075 812 R HN 0.403 nan 8.270 nan 0.000 0.480 813 L N 5.037 126.245 121.223 -0.024 0.000 2.317 813 L HA 0.481 4.823 4.340 0.003 0.000 0.281 813 L C -1.770 175.107 176.870 0.011 0.000 1.024 813 L CA -2.086 52.745 54.840 -0.016 0.000 0.810 813 L CB 0.973 43.011 42.059 -0.035 0.000 1.240 813 L HN 0.374 nan 8.230 nan 0.000 0.427 814 P HA 0.039 nan 4.420 nan 0.000 0.270 814 P C 0.314 177.667 177.300 0.088 0.000 1.223 814 P CA -0.202 62.934 63.100 0.061 0.000 0.785 814 P CB 0.393 32.126 31.700 0.056 0.000 0.923 815 Y N 1.125 121.433 120.300 0.013 0.000 2.207 815 Y HA -0.136 4.415 4.550 0.002 0.000 0.287 815 Y C 0.686 176.606 175.900 0.032 0.000 1.156 815 Y CA 1.867 59.980 58.100 0.020 0.000 1.182 815 Y CB 0.134 38.605 38.460 0.018 0.000 0.979 815 Y HN 0.435 nan 8.280 nan 0.000 0.521 816 S N -0.694 115.031 115.700 0.040 0.000 2.547 816 S HA 0.634 5.105 4.470 0.003 0.000 0.270 816 S C -1.224 173.404 174.600 0.048 0.000 1.150 816 S CA -0.397 57.788 58.200 -0.025 0.000 0.850 816 S CB 1.622 64.819 63.200 -0.006 0.000 1.118 816 S HN 0.583 nan 8.310 nan 0.000 0.461 817 V N -0.723 119.215 119.914 0.039 0.000 2.876 817 V HA 0.855 4.976 4.120 0.003 0.000 0.312 817 V C -0.276 175.842 176.094 0.040 0.000 1.085 817 V CA -0.991 61.343 62.300 0.058 0.000 0.945 817 V CB 1.307 33.180 31.823 0.085 0.000 1.017 817 V HN 0.870 nan 8.190 nan 0.000 0.428 818 V N 3.589 123.525 119.914 0.038 0.000 2.614 818 V HA 0.311 4.433 4.120 0.003 0.000 0.291 818 V C 0.978 177.069 176.094 -0.005 0.000 1.049 818 V CA -0.264 62.044 62.300 0.014 0.000 1.038 818 V CB 1.017 32.853 31.823 0.021 0.000 0.980 818 V HN 1.061 nan 8.190 nan 0.000 0.481 819 R N 4.509 124.989 120.500 -0.033 0.000 2.623 819 R HA 0.001 4.342 4.340 0.003 0.000 0.271 819 R C 0.659 176.923 176.300 -0.061 0.000 1.043 819 R CA 0.242 56.309 56.100 -0.054 0.000 1.083 819 R CB -0.006 30.255 30.300 -0.064 0.000 0.974 819 R HN 0.903 nan 8.270 nan 0.000 0.436 820 N N 1.054 119.711 118.700 -0.072 0.000 2.778 820 N HA -0.188 4.553 4.740 0.003 0.000 0.249 820 N C -1.308 174.155 175.510 -0.078 0.000 1.069 820 N CA 1.502 54.497 53.050 -0.091 0.000 0.831 820 N CB -0.711 37.693 38.487 -0.138 0.000 1.142 820 N HN 0.688 nan 8.380 nan 0.000 0.573 821 E N 0.658 120.831 120.200 -0.045 0.000 2.133 821 E HA 0.167 4.519 4.350 0.003 0.000 0.274 821 E C -0.026 176.558 176.600 -0.028 0.000 0.930 821 E CA -0.396 55.989 56.400 -0.026 0.000 0.770 821 E CB 1.322 31.027 29.700 0.009 0.000 1.104 821 E HN 0.127 nan 8.360 nan 0.000 0.403 822 Q N 3.137 122.887 119.800 -0.083 0.000 2.262 822 Q HA 0.162 4.503 4.340 0.003 0.000 0.272 822 Q C -0.513 175.447 176.000 -0.068 0.000 1.076 822 Q CA -0.266 55.416 55.803 -0.202 0.000 0.905 822 Q CB 0.475 28.925 28.738 -0.480 0.000 1.182 822 Q HN 0.395 nan 8.270 nan 0.000 0.390 823 V N 0.672 120.596 119.914 0.018 0.000 3.113 823 V HA 0.647 4.769 4.120 0.003 0.000 0.316 823 V C -0.928 175.307 176.094 0.235 0.000 1.125 823 V CA -1.007 61.415 62.300 0.205 0.000 1.026 823 V CB 2.003 33.903 31.823 0.128 0.000 1.080 823 V HN 0.817 nan 8.190 nan 0.000 0.444 824 E N 1.774 122.138 120.200 0.274 0.000 2.191 824 E HA 0.592 4.943 4.350 0.003 0.000 0.263 824 E C -1.090 175.574 176.600 0.108 0.000 0.881 824 E CA -0.812 55.713 56.400 0.207 0.000 0.757 824 E CB 1.898 31.735 29.700 0.227 0.000 1.147 824 E HN 0.884 nan 8.360 nan 0.000 0.414 825 I N 1.083 121.711 120.570 0.096 0.000 2.607 825 I HA 0.614 4.786 4.170 0.003 0.000 0.305 825 I C -0.595 175.576 176.117 0.091 0.000 0.995 825 I CA -1.060 60.283 61.300 0.072 0.000 1.148 825 I CB 1.545 39.566 38.000 0.036 0.000 1.323 825 I HN 0.232 nan 8.210 nan 0.000 0.461 826 R N 4.508 125.042 120.500 0.058 0.000 2.393 826 R HA 0.634 4.976 4.340 0.003 0.000 0.315 826 R C -0.950 175.379 176.300 0.049 0.000 0.952 826 R CA -0.810 55.308 56.100 0.029 0.000 0.842 826 R CB 1.739 32.039 30.300 0.000 0.000 1.163 826 R HN 0.865 nan 8.270 nan 0.000 0.450 827 A N 3.476 126.333 122.820 0.062 0.000 2.253 827 A HA 0.470 4.792 4.320 0.003 0.000 0.316 827 A C -0.096 177.478 177.584 -0.018 0.000 1.327 827 A CA -0.622 51.462 52.037 0.079 0.000 0.917 827 A CB 0.727 19.868 19.000 0.234 0.000 1.162 827 A HN 0.411 nan 8.150 nan 0.000 0.535 828 V N 4.195 124.085 119.914 -0.040 0.000 2.370 828 V HA 0.295 4.417 4.120 0.003 0.000 0.279 828 V C -0.429 175.510 176.094 -0.258 0.000 1.029 828 V CA -0.364 61.826 62.300 -0.183 0.000 0.870 828 V CB 0.876 32.574 31.823 -0.208 0.000 0.984 828 V HN 0.709 nan 8.190 nan 0.000 0.451 829 L N 6.149 127.174 121.223 -0.331 0.000 2.275 829 L HA 0.495 4.836 4.340 0.003 0.000 0.288 829 L C -0.575 175.977 176.870 -0.529 0.000 1.046 829 L CA 0.021 54.672 54.840 -0.315 0.000 0.805 829 L CB 0.585 42.600 42.059 -0.074 0.000 1.193 829 L HN 0.469 nan 8.230 nan 0.000 0.426 830 Y N 1.939 121.894 120.300 -0.575 0.000 2.360 830 Y HA 0.484 5.037 4.550 0.005 0.000 0.337 830 Y C 0.286 175.884 175.900 -0.503 0.000 1.039 830 Y CA -0.531 57.145 58.100 -0.707 0.000 1.109 830 Y CB 1.673 39.417 38.460 -1.193 0.000 1.201 830 Y HN 0.538 nan 8.280 nan 0.000 0.458 831 N N 2.250 120.786 118.700 -0.274 0.000 2.540 831 N HA 0.190 4.932 4.740 0.003 0.000 0.275 831 N C -1.335 174.060 175.510 -0.193 0.000 1.053 831 N CA -0.536 52.456 53.050 -0.097 0.000 0.876 831 N CB 0.324 38.798 38.487 -0.022 0.000 1.284 831 N HN 0.582 nan 8.380 nan 0.000 0.518 832 Y N 1.263 121.619 120.300 0.094 0.000 2.524 832 Y HA 0.332 4.891 4.550 0.015 0.000 0.266 832 Y C 0.524 176.468 175.900 0.073 0.000 1.180 832 Y CA -0.486 57.670 58.100 0.092 0.000 1.244 832 Y CB 0.434 38.966 38.460 0.119 0.000 1.125 832 Y HN 0.199 nan 8.280 nan 0.000 0.524 833 R N 0.966 121.560 120.500 0.156 0.000 2.449 833 R HA -0.042 4.299 4.340 0.003 0.000 0.296 833 R C 1.296 177.645 176.300 0.082 0.000 1.047 833 R CA -0.073 56.088 56.100 0.102 0.000 1.018 833 R CB 0.631 30.959 30.300 0.046 0.000 0.962 833 R HN 0.231 nan 8.270 nan 0.000 0.428 834 Q N 2.423 122.272 119.800 0.082 0.000 2.045 834 Q HA -0.208 4.133 4.340 0.003 0.000 0.206 834 Q C -0.301 175.729 176.000 0.049 0.000 0.991 834 Q CA 2.023 57.869 55.803 0.071 0.000 0.851 834 Q CB 0.090 28.865 28.738 0.061 0.000 0.911 834 Q HN 0.695 nan 8.270 nan 0.000 0.418 835 N N -0.600 118.124 118.700 0.039 0.000 2.711 835 N HA 0.206 4.947 4.740 0.003 0.000 0.263 835 N C -1.665 173.859 175.510 0.024 0.000 1.667 835 N CA -0.357 52.710 53.050 0.028 0.000 0.785 835 N CB 0.674 39.177 38.487 0.027 0.000 1.231 835 N HN 0.116 nan 8.380 nan 0.000 0.503 836 Q N 0.733 120.543 119.800 0.017 0.000 2.313 836 Q HA 0.137 4.478 4.340 0.003 0.000 0.255 836 Q C -1.519 174.479 176.000 -0.003 0.000 0.944 836 Q CA -0.501 55.310 55.803 0.012 0.000 0.881 836 Q CB 1.742 30.484 28.738 0.007 0.000 1.375 836 Q HN 0.543 nan 8.270 nan 0.000 0.422 837 E N 4.269 124.472 120.200 0.006 0.000 2.343 837 E HA 0.528 4.879 4.350 0.003 0.000 0.269 837 E C -0.975 175.629 176.600 0.007 0.000 1.047 837 E CA -0.541 55.858 56.400 -0.002 0.000 0.874 837 E CB 1.234 30.936 29.700 0.002 0.000 1.033 837 E HN 0.444 nan 8.360 nan 0.000 0.409 838 L N 2.279 123.491 121.223 -0.019 0.000 2.385 838 L HA 0.401 4.743 4.340 0.003 0.000 0.273 838 L C -0.239 176.635 176.870 0.006 0.000 0.990 838 L CA -1.019 53.805 54.840 -0.026 0.000 0.821 838 L CB 1.985 43.942 42.059 -0.169 0.000 1.279 838 L HN 0.617 nan 8.230 nan 0.000 0.412 839 K N 3.127 123.588 120.400 0.102 0.000 2.263 839 K HA 0.501 4.823 4.320 0.003 0.000 0.282 839 K C -1.154 175.556 176.600 0.183 0.000 1.089 839 K CA -0.387 55.998 56.287 0.163 0.000 0.907 839 K CB 0.877 33.518 32.500 0.235 0.000 1.148 839 K HN 0.359 nan 8.250 nan 0.000 0.470 840 V N 4.403 124.354 119.914 0.061 0.000 2.581 840 V HA 0.413 4.534 4.120 0.003 0.000 0.303 840 V C -0.142 175.968 176.094 0.027 0.000 1.041 840 V CA -0.975 61.301 62.300 -0.040 0.000 0.907 840 V CB 1.589 33.366 31.823 -0.077 0.000 0.994 840 V HN 0.690 nan 8.190 nan 0.000 0.442 841 R N 2.847 123.309 120.500 -0.062 0.000 2.275 841 R HA 0.616 4.957 4.340 0.003 0.000 0.326 841 R C -1.201 175.098 176.300 -0.000 0.000 0.973 841 R CA -0.303 55.786 56.100 -0.017 0.000 0.854 841 R CB 1.527 31.785 30.300 -0.070 0.000 1.156 841 R HN 0.608 nan 8.270 nan 0.000 0.487 842 V N 4.190 124.125 119.914 0.035 0.000 2.407 842 V HA 0.347 4.469 4.120 0.003 0.000 0.278 842 V C -0.628 175.512 176.094 0.076 0.000 1.037 842 V CA -0.203 62.143 62.300 0.077 0.000 0.900 842 V CB 1.491 33.380 31.823 0.110 0.000 0.983 842 V HN 0.883 nan 8.190 nan 0.000 0.459 843 E N 5.059 125.301 120.200 0.070 0.000 2.238 843 E HA 0.463 4.815 4.350 0.003 0.000 0.267 843 E C -1.762 174.843 176.600 0.010 0.000 0.887 843 E CA -1.027 55.401 56.400 0.047 0.000 0.769 843 E CB 2.035 31.751 29.700 0.026 0.000 1.187 843 E HN 0.704 nan 8.360 nan 0.000 0.416 844 L N 5.451 126.659 121.223 -0.026 0.000 2.262 844 L HA 0.319 4.661 4.340 0.003 0.000 0.288 844 L C -1.300 175.529 176.870 -0.069 0.000 1.035 844 L CA -0.489 54.231 54.840 -0.200 0.000 0.820 844 L CB 0.709 42.460 42.059 -0.513 0.000 1.204 844 L HN 0.568 nan 8.230 nan 0.000 0.424 845 L N 4.428 125.611 121.223 -0.065 0.000 2.467 845 L HA 0.171 4.513 4.340 0.003 0.000 0.270 845 L C 0.216 177.096 176.870 0.018 0.000 1.205 845 L CA 0.346 55.186 54.840 -0.001 0.000 0.828 845 L CB 0.046 42.102 42.059 -0.005 0.000 1.101 845 L HN 0.668 nan 8.230 nan 0.000 0.479 846 H N 2.633 121.693 119.070 -0.017 0.000 2.615 846 H HA 0.425 4.982 4.556 0.003 0.000 0.363 846 H C -0.499 174.839 175.328 0.016 0.000 1.148 846 H CA -0.074 55.971 56.048 -0.006 0.000 1.401 846 H CB 0.644 30.407 29.762 0.001 0.000 1.461 846 H HN 0.550 nan 8.280 nan 0.000 0.588 847 N N 4.035 122.245 118.700 -0.817 0.000 2.542 847 N HA 0.174 4.915 4.740 0.003 0.000 0.288 847 N C -2.431 172.758 175.510 -0.534 0.000 1.115 847 N CA -1.864 50.895 53.050 -0.486 0.000 0.924 847 N CB 1.871 40.323 38.487 -0.058 0.000 1.526 847 N HN 0.356 nan 8.380 nan 0.000 0.515 848 P HA -0.092 nan 4.420 nan 0.000 0.217 848 P C 0.897 178.109 177.300 -0.146 0.000 1.148 848 P CA 1.400 64.406 63.100 -0.157 0.000 0.828 848 P CB 0.326 31.994 31.700 -0.054 0.000 0.783 849 A N -2.119 120.590 122.820 -0.184 0.000 1.930 849 A HA -0.059 4.263 4.320 0.003 0.000 0.217 849 A C 0.934 178.243 177.584 -0.458 0.000 1.175 849 A CA 1.103 52.947 52.037 -0.322 0.000 0.627 849 A CB -1.016 17.741 19.000 -0.404 0.000 0.815 849 A HN 0.100 nan 8.150 nan 0.000 0.443 850 F N -2.598 117.269 119.950 -0.139 0.000 2.483 850 F HA 0.500 5.029 4.527 0.004 0.000 0.329 850 F C 0.264 175.994 175.800 -0.117 0.000 1.064 850 F CA -0.898 57.029 58.000 -0.122 0.000 0.986 850 F CB 1.432 40.357 39.000 -0.126 0.000 1.218 850 F HN -0.072 nan 8.300 nan 0.000 0.484 851 c N 2.973 121.645 118.600 0.120 0.000 2.294 851 c HA 0.731 5.303 4.570 0.003 0.000 0.319 851 c C -0.222 173.871 174.090 0.006 0.000 1.164 851 c CA -0.332 56.020 56.329 0.038 0.000 1.497 851 c CB -1.495 41.010 42.510 -0.008 0.000 2.061 851 c HN 0.830 nan 8.230 nan 0.000 0.438 852 S N 4.869 120.565 115.700 -0.006 0.000 2.811 852 S HA 0.551 5.022 4.470 0.003 0.000 0.311 852 S C 0.760 175.296 174.600 -0.106 0.000 1.152 852 S CA -0.815 57.336 58.200 -0.082 0.000 0.864 852 S CB 0.808 63.936 63.200 -0.119 0.000 1.226 852 S HN 0.582 nan 8.310 nan 0.000 0.541 853 L N 0.483 121.564 121.223 -0.237 0.000 2.265 853 L HA 0.071 4.412 4.340 0.003 0.000 0.215 853 L C 1.516 178.316 176.870 -0.116 0.000 1.117 853 L CA 1.002 55.700 54.840 -0.237 0.000 0.782 853 L CB -0.980 40.802 42.059 -0.461 0.000 0.914 853 L HN 0.827 nan 8.230 nan 0.000 0.441 854 A N 0.632 123.403 122.820 -0.083 0.000 2.454 854 A HA 0.401 4.723 4.320 0.003 0.000 0.260 854 A C 0.492 178.148 177.584 0.119 0.000 1.106 854 A CA 0.091 52.168 52.037 0.067 0.000 0.780 854 A CB -0.024 19.036 19.000 0.100 0.000 1.044 854 A HN 0.345 nan 8.150 nan 0.000 0.498 855 T N -1.602 112.928 114.554 -0.041 0.000 2.887 855 T HA 0.524 4.876 4.350 0.003 0.000 0.292 855 T C 1.093 175.484 174.700 -0.514 0.000 1.087 855 T CA 0.132 62.038 62.100 -0.325 0.000 1.009 855 T CB 0.898 69.662 68.868 -0.174 0.000 1.203 855 T HN 0.888 nan 8.240 nan 0.000 0.518 856 T N -1.116 113.008 114.554 -0.715 0.000 2.977 856 T HA -0.027 4.324 4.350 0.003 0.000 0.271 856 T C 1.344 175.937 174.700 -0.179 0.000 1.105 856 T CA 0.875 62.739 62.100 -0.394 0.000 1.116 856 T CB -0.430 68.277 68.868 -0.269 0.000 0.878 856 T HN 0.716 nan 8.240 nan 0.000 0.509 857 K N 0.887 121.196 120.400 -0.153 0.000 2.190 857 K HA 0.179 4.501 4.320 0.003 0.000 0.202 857 K C 1.255 177.827 176.600 -0.047 0.000 1.045 857 K CA 0.248 56.487 56.287 -0.079 0.000 0.976 857 K CB 0.228 32.688 32.500 -0.066 0.000 0.849 857 K HN 0.453 nan 8.250 nan 0.000 0.468 858 R N 1.172 121.646 120.500 -0.043 0.000 2.711 858 R HA 0.397 4.739 4.340 0.003 0.000 0.284 858 R C -0.904 175.409 176.300 0.021 0.000 0.968 858 R CA -0.802 55.298 56.100 -0.000 0.000 0.924 858 R CB 1.494 31.805 30.300 0.018 0.000 1.162 858 R HN -0.146 nan 8.270 nan 0.000 0.465 859 R N 0.863 121.391 120.500 0.048 0.000 2.528 859 R HA 0.152 4.493 4.340 0.003 0.000 0.271 859 R C -0.658 175.726 176.300 0.141 0.000 1.056 859 R CA -0.809 55.338 56.100 0.077 0.000 1.117 859 R CB 0.708 31.042 30.300 0.057 0.000 1.085 859 R HN 0.587 nan 8.270 nan 0.000 0.530 860 H N 1.693 120.788 119.070 0.042 0.000 2.691 860 H HA 0.214 4.771 4.556 0.003 0.000 0.281 860 H C -1.146 174.233 175.328 0.086 0.000 1.121 860 H CA -0.233 55.855 56.048 0.067 0.000 1.254 860 H CB 0.459 30.263 29.762 0.069 0.000 1.390 860 H HN 0.361 nan 8.280 nan 0.000 0.491 861 Q N 3.581 123.282 119.800 -0.164 0.000 2.356 861 Q HA 0.404 4.746 4.340 0.003 0.000 0.270 861 Q C -1.018 174.885 176.000 -0.163 0.000 1.058 861 Q CA -1.144 54.589 55.803 -0.118 0.000 0.802 861 Q CB 2.721 31.449 28.738 -0.016 0.000 1.303 861 Q HN 0.569 nan 8.270 nan 0.000 0.444 862 Q N 0.886 120.609 119.800 -0.128 0.000 2.325 862 Q HA 0.405 4.746 4.340 0.003 0.000 0.270 862 Q C -1.198 174.757 176.000 -0.074 0.000 1.020 862 Q CA -0.312 55.409 55.803 -0.136 0.000 0.785 862 Q CB 2.342 30.978 28.738 -0.169 0.000 1.259 862 Q HN 0.393 nan 8.270 nan 0.000 0.452 863 T N 2.451 116.958 114.554 -0.077 0.000 2.733 863 T HA 0.538 4.890 4.350 0.003 0.000 0.294 863 T C -0.329 174.335 174.700 -0.059 0.000 0.956 863 T CA -0.547 61.557 62.100 0.006 0.000 0.987 863 T CB 0.233 69.154 68.868 0.090 0.000 0.920 863 T HN 0.444 nan 8.240 nan 0.000 0.470 864 V N 1.217 121.121 119.914 -0.016 0.000 3.040 864 V HA 0.810 4.932 4.120 0.003 0.000 0.312 864 V C -0.198 175.893 176.094 -0.005 0.000 1.115 864 V CA -0.893 61.382 62.300 -0.042 0.000 0.998 864 V CB 2.163 33.946 31.823 -0.066 0.000 1.042 864 V HN 0.643 nan 8.190 nan 0.000 0.433 865 T N 3.876 118.417 114.554 -0.021 0.000 2.771 865 T HA 0.683 5.035 4.350 0.003 0.000 0.281 865 T C -0.286 174.389 174.700 -0.040 0.000 0.982 865 T CA -0.034 62.057 62.100 -0.015 0.000 0.978 865 T CB 0.639 69.500 68.868 -0.012 0.000 0.930 865 T HN 0.620 nan 8.240 nan 0.000 0.447 866 I N 5.934 126.482 120.570 -0.037 0.000 2.359 866 I HA 0.314 4.486 4.170 0.003 0.000 0.284 866 I C -2.329 173.758 176.117 -0.050 0.000 1.018 866 I CA -2.598 58.670 61.300 -0.053 0.000 1.173 866 I CB 1.573 39.547 38.000 -0.044 0.000 1.326 866 I HN 0.292 nan 8.210 nan 0.000 0.462 867 P HA 0.149 nan 4.420 nan 0.000 0.270 867 P C -2.485 174.791 177.300 -0.040 0.000 1.223 867 P CA -1.049 62.023 63.100 -0.046 0.000 0.785 867 P CB -0.206 31.462 31.700 -0.055 0.000 0.923 868 P HA 0.043 nan 4.420 nan 0.000 0.269 868 P C -0.353 176.943 177.300 -0.007 0.000 1.209 868 P CA 0.231 63.325 63.100 -0.009 0.000 0.776 868 P CB 0.065 31.770 31.700 0.008 0.000 0.876 869 K N -1.506 118.892 120.400 -0.004 0.000 3.069 869 K HA -0.143 4.178 4.320 0.003 0.000 0.267 869 K C 0.187 176.766 176.600 -0.035 0.000 1.082 869 K CA 0.737 57.030 56.287 0.010 0.000 0.782 869 K CB -1.773 30.764 32.500 0.063 0.000 1.230 869 K HN 0.462 nan 8.250 nan 0.000 0.488 870 S N -0.377 115.264 115.700 -0.098 0.000 2.661 870 S HA 0.762 5.233 4.470 0.003 0.000 0.285 870 S C -1.196 173.293 174.600 -0.185 0.000 1.138 870 S CA -0.031 58.117 58.200 -0.087 0.000 0.855 870 S CB 1.870 65.041 63.200 -0.047 0.000 1.136 870 S HN 0.341 nan 8.310 nan 0.000 0.484 871 S N 1.715 117.301 115.700 -0.190 0.000 2.549 871 S HA 0.763 5.235 4.470 0.003 0.000 0.280 871 S C -1.362 173.074 174.600 -0.274 0.000 1.109 871 S CA -0.775 57.198 58.200 -0.378 0.000 0.905 871 S CB 1.326 64.109 63.200 -0.694 0.000 1.081 871 S HN 0.759 nan 8.310 nan 0.000 0.477 872 L N 1.709 122.752 121.223 -0.301 0.000 2.365 872 L HA 0.703 5.044 4.340 0.003 0.000 0.273 872 L C -0.477 176.266 176.870 -0.211 0.000 1.000 872 L CA -0.366 54.355 54.840 -0.197 0.000 0.819 872 L CB 2.176 44.150 42.059 -0.141 0.000 1.284 872 L HN 0.884 nan 8.230 nan 0.000 0.418 873 S N 3.438 119.044 115.700 -0.157 0.000 2.422 873 S HA 0.530 5.001 4.470 0.003 0.000 0.308 873 S C -0.748 173.766 174.600 -0.143 0.000 1.097 873 S CA -0.534 57.582 58.200 -0.140 0.000 1.099 873 S CB 0.870 64.010 63.200 -0.100 0.000 0.976 873 S HN 0.365 nan 8.310 nan 0.000 0.471 874 V N 8.713 128.524 119.914 -0.172 0.000 2.311 874 V HA 0.395 4.517 4.120 0.003 0.000 0.275 874 V C -2.236 173.601 176.094 -0.428 0.000 1.022 874 V CA -1.939 60.189 62.300 -0.285 0.000 0.830 874 V CB 0.969 32.616 31.823 -0.293 0.000 1.012 874 V HN 0.702 nan 8.190 nan 0.000 0.452 875 P HA 0.343 nan 4.420 nan 0.000 0.274 875 P C -1.350 175.673 177.300 -0.462 0.000 1.231 875 P CA -0.094 62.843 63.100 -0.271 0.000 0.790 875 P CB 0.385 32.009 31.700 -0.127 0.000 0.951 876 Y N -0.282 120.039 120.300 0.035 0.000 2.433 876 Y HA 0.353 4.904 4.550 0.002 0.000 0.337 876 Y C -0.485 175.418 175.900 0.004 0.000 1.026 876 Y CA -0.914 57.200 58.100 0.023 0.000 1.037 876 Y CB 1.656 40.115 38.460 -0.003 0.000 1.245 876 Y HN -0.015 nan 8.280 nan 0.000 0.443 877 V N 5.767 125.767 119.914 0.143 0.000 2.347 877 V HA 0.602 4.724 4.120 0.003 0.000 0.280 877 V C -0.019 176.048 176.094 -0.044 0.000 1.021 877 V CA -0.643 61.676 62.300 0.032 0.000 0.847 877 V CB 0.688 32.485 31.823 -0.044 0.000 0.990 877 V HN 0.666 nan 8.190 nan 0.000 0.444 878 I N 2.154 122.695 120.570 -0.048 0.000 3.042 878 I HA 0.913 5.085 4.170 0.003 0.000 0.310 878 I C -1.170 174.945 176.117 -0.004 0.000 1.117 878 I CA -1.181 60.093 61.300 -0.043 0.000 1.003 878 I CB 2.737 40.681 38.000 -0.094 0.000 1.228 878 I HN 0.227 nan 8.210 nan 0.000 0.443 879 V N 2.877 122.828 119.914 0.061 0.000 2.462 879 V HA 0.395 4.517 4.120 0.003 0.000 0.288 879 V C -2.484 173.669 176.094 0.098 0.000 1.020 879 V CA -1.438 60.888 62.300 0.044 0.000 0.857 879 V CB 1.409 33.204 31.823 -0.046 0.000 1.013 879 V HN 0.648 nan 8.190 nan 0.000 0.431 880 P HA 0.231 nan 4.420 nan 0.000 0.265 880 P C 0.487 177.686 177.300 -0.169 0.000 1.193 880 P CA 0.290 63.311 63.100 -0.131 0.000 0.765 880 P CB 0.953 32.608 31.700 -0.075 0.000 0.823 881 L N 2.170 123.240 121.223 -0.255 0.000 2.433 881 L HA 0.185 4.527 4.340 0.003 0.000 0.200 881 L C 0.978 177.755 176.870 -0.153 0.000 1.059 881 L CA 0.605 55.345 54.840 -0.166 0.000 0.835 881 L CB -0.301 41.672 42.059 -0.145 0.000 1.076 881 L HN 0.340 nan 8.230 nan 0.000 0.481 882 K N 0.550 120.828 120.400 -0.204 0.000 2.259 882 K HA 0.449 4.771 4.320 0.003 0.000 0.252 882 K C -0.261 176.238 176.600 -0.167 0.000 0.936 882 K CA -0.634 55.562 56.287 -0.152 0.000 0.810 882 K CB 1.597 34.019 32.500 -0.130 0.000 1.143 882 K HN -0.070 nan 8.250 nan 0.000 0.427 883 T N -0.700 113.787 114.554 -0.113 0.000 2.766 883 T HA 0.593 4.945 4.350 0.003 0.000 0.295 883 T C 0.726 175.374 174.700 -0.087 0.000 1.024 883 T CA 0.198 62.238 62.100 -0.100 0.000 1.018 883 T CB 0.721 69.541 68.868 -0.081 0.000 1.002 883 T HN 1.175 nan 8.240 nan 0.000 0.532 884 G N -0.072 108.686 108.800 -0.070 0.000 2.462 884 G HA2 0.153 4.115 3.960 0.003 0.000 0.685 884 G HA3 0.153 4.115 3.960 0.003 0.000 0.685 884 G C -1.025 173.842 174.900 -0.055 0.000 1.295 884 G CA -0.616 44.453 45.100 -0.051 0.000 0.941 884 G HN 1.122 nan 8.290 nan 0.000 0.554 885 L N 1.402 122.603 121.223 -0.037 0.000 2.536 885 L HA 0.385 4.727 4.340 0.003 0.000 0.282 885 L C 0.722 177.585 176.870 -0.012 0.000 1.147 885 L CA 0.085 54.909 54.840 -0.026 0.000 0.936 885 L CB 0.073 42.122 42.059 -0.017 0.000 1.279 885 L HN 0.543 nan 8.230 nan 0.000 0.461 886 Q N 3.561 123.368 119.800 0.011 0.000 2.193 886 Q HA 0.371 4.713 4.340 0.003 0.000 0.246 886 Q C -0.567 175.540 176.000 0.179 0.000 0.959 886 Q CA -0.418 55.421 55.803 0.059 0.000 0.904 886 Q CB 1.710 30.408 28.738 -0.066 0.000 1.238 886 Q HN 0.625 nan 8.270 nan 0.000 0.469 887 E N 0.353 120.691 120.200 0.231 0.000 2.199 887 E HA 0.506 4.858 4.350 0.003 0.000 0.269 887 E C -1.443 175.231 176.600 0.123 0.000 0.899 887 E CA -0.621 55.867 56.400 0.147 0.000 0.772 887 E CB 1.579 31.326 29.700 0.079 0.000 1.155 887 E HN 0.245 nan 8.360 nan 0.000 0.408 888 V N 3.795 123.696 119.914 -0.023 0.000 2.540 888 V HA 0.406 4.528 4.120 0.003 0.000 0.302 888 V C -0.535 175.502 176.094 -0.095 0.000 1.035 888 V CA -0.704 61.496 62.300 -0.167 0.000 0.873 888 V CB 1.598 33.233 31.823 -0.313 0.000 0.992 888 V HN 0.770 nan 8.190 nan 0.000 0.428 889 E N 3.253 123.391 120.200 -0.104 0.000 2.256 889 E HA 0.740 5.092 4.350 0.003 0.000 0.268 889 E C -1.996 174.554 176.600 -0.085 0.000 0.877 889 E CA -0.483 55.883 56.400 -0.056 0.000 0.757 889 E CB 2.390 32.077 29.700 -0.021 0.000 1.183 889 E HN 0.465 nan 8.360 nan 0.000 0.418 890 V N 4.359 124.244 119.914 -0.048 0.000 2.577 890 V HA 0.436 4.558 4.120 0.003 0.000 0.303 890 V C -0.461 175.641 176.094 0.012 0.000 1.042 890 V CA -0.847 61.427 62.300 -0.043 0.000 0.872 890 V CB 1.813 33.618 31.823 -0.031 0.000 0.998 890 V HN 0.642 nan 8.190 nan 0.000 0.423 891 K N 2.510 122.922 120.400 0.020 0.000 2.295 891 K HA 0.973 5.295 4.320 0.003 0.000 0.239 891 K C -0.690 175.949 176.600 0.066 0.000 0.991 891 K CA -0.758 55.553 56.287 0.041 0.000 0.845 891 K CB 2.539 35.055 32.500 0.027 0.000 1.197 891 K HN 0.854 nan 8.250 nan 0.000 0.441 892 A N 0.472 123.349 122.820 0.095 0.000 2.577 892 A HA 0.747 5.069 4.320 0.003 0.000 0.297 892 A C -1.918 175.747 177.584 0.134 0.000 1.060 892 A CA -0.615 51.504 52.037 0.136 0.000 0.697 892 A CB 1.754 20.909 19.000 0.258 0.000 1.281 892 A HN 0.673 nan 8.150 nan 0.000 0.402 893 A N 0.619 123.438 122.820 -0.002 0.000 2.486 893 A HA 0.813 5.135 4.320 0.003 0.000 0.300 893 A C -0.311 177.102 177.584 -0.285 0.000 1.048 893 A CA -0.024 51.945 52.037 -0.113 0.000 0.696 893 A CB 1.246 20.162 19.000 -0.141 0.000 1.278 893 A HN 2.304 nan 8.150 nan 0.000 0.405 894 V N -0.153 119.571 119.914 -0.316 0.000 2.539 894 V HA 0.694 4.815 4.120 0.003 0.000 0.292 894 V C -0.557 175.412 176.094 -0.209 0.000 1.045 894 V CA -0.799 61.321 62.300 -0.301 0.000 0.945 894 V CB 0.531 32.155 31.823 -0.333 0.000 0.993 894 V HN 0.698 nan 8.190 nan 0.000 0.464 895 Y N 3.981 124.233 120.300 -0.080 0.000 2.336 895 Y HA 0.353 4.904 4.550 0.002 0.000 0.331 895 Y C 1.470 177.274 175.900 -0.161 0.000 1.211 895 Y CA 1.017 58.973 58.100 -0.240 0.000 1.346 895 Y CB 0.202 38.444 38.460 -0.364 0.000 1.271 895 Y HN 0.941 nan 8.280 nan 0.000 0.538 896 H N -0.281 118.858 119.070 0.114 0.000 3.179 896 H HA -0.231 4.326 4.556 0.002 0.000 0.250 896 H C -0.807 174.317 175.328 -0.340 0.000 1.142 896 H CA 1.198 57.187 56.048 -0.099 0.000 1.165 896 H CB -1.984 27.683 29.762 -0.159 0.000 1.253 896 H HN 0.794 nan 8.280 nan 0.000 0.325 897 H N -1.553 117.594 119.070 0.129 0.000 2.895 897 H HA 0.289 4.848 4.556 0.005 0.000 0.373 897 H C -0.529 174.895 175.328 0.160 0.000 1.174 897 H CA -0.747 55.375 56.048 0.123 0.000 1.144 897 H CB 0.962 30.763 29.762 0.064 0.000 1.793 897 H HN 0.013 nan 8.280 nan 0.000 0.551 898 F N 3.361 123.397 119.950 0.144 0.000 2.733 898 F HA 0.376 4.904 4.527 0.002 0.000 0.344 898 F C -0.929 174.922 175.800 0.083 0.000 1.179 898 F CA -0.470 57.580 58.000 0.083 0.000 1.316 898 F CB -0.828 38.216 39.000 0.072 0.000 1.577 898 F HN 0.277 nan 8.300 nan 0.000 0.591 899 I N 1.389 121.945 120.570 -0.022 0.000 2.545 899 I HA 0.452 4.624 4.170 0.003 0.000 0.292 899 I C -0.545 175.536 176.117 -0.060 0.000 1.040 899 I CA -0.673 60.593 61.300 -0.057 0.000 1.068 899 I CB 2.151 40.147 38.000 -0.007 0.000 1.251 899 I HN 0.195 nan 8.210 nan 0.000 0.424 900 S N 2.771 118.474 115.700 0.005 0.000 2.550 900 S HA 0.788 5.260 4.470 0.003 0.000 0.270 900 S C -1.475 173.218 174.600 0.155 0.000 1.145 900 S CA -0.756 57.488 58.200 0.073 0.000 0.852 900 S CB 2.876 66.050 63.200 -0.044 0.000 1.119 900 S HN 0.671 nan 8.310 nan 0.000 0.465 901 D N -1.080 119.432 120.400 0.186 0.000 2.622 901 D HA 0.755 5.396 4.640 0.003 0.000 0.255 901 D C -0.578 175.769 176.300 0.077 0.000 1.246 901 D CA 0.154 54.219 54.000 0.108 0.000 0.795 901 D CB 1.805 42.624 40.800 0.032 0.000 1.369 901 D HN 1.069 nan 8.370 nan 0.000 0.425 902 G N -0.350 108.488 108.800 0.063 0.000 2.673 902 G HA2 0.553 4.514 3.960 0.003 0.000 0.292 902 G HA3 0.553 4.514 3.960 0.003 0.000 0.292 902 G C -1.826 173.133 174.900 0.098 0.000 1.450 902 G CA -0.511 44.627 45.100 0.063 0.000 0.837 902 G HN 0.460 nan 8.290 nan 0.000 0.505 903 V N 0.604 120.577 119.914 0.097 0.000 2.638 903 V HA 0.655 4.777 4.120 0.003 0.000 0.306 903 V C -0.069 176.098 176.094 0.123 0.000 1.052 903 V CA -0.819 61.575 62.300 0.156 0.000 0.885 903 V CB 1.939 33.815 31.823 0.089 0.000 0.999 903 V HN 0.755 nan 8.190 nan 0.000 0.424 904 R N 3.838 124.462 120.500 0.206 0.000 2.494 904 R HA 0.436 4.778 4.340 0.003 0.000 0.284 904 R C -0.426 175.986 176.300 0.187 0.000 1.525 904 R CA -0.404 55.776 56.100 0.134 0.000 1.460 904 R CB 0.611 30.963 30.300 0.086 0.000 1.134 904 R HN 0.684 nan 8.270 nan 0.000 0.592 905 K N 0.596 121.062 120.400 0.110 0.000 2.132 905 K HA 0.472 4.794 4.320 0.003 0.000 0.241 905 K C -0.522 176.109 176.600 0.051 0.000 1.000 905 K CA -0.697 55.643 56.287 0.087 0.000 0.911 905 K CB 1.846 34.332 32.500 -0.024 0.000 1.093 905 K HN 0.227 nan 8.250 nan 0.000 0.460 906 S N 1.167 116.897 115.700 0.049 0.000 2.538 906 S HA 0.488 4.959 4.470 0.003 0.000 0.288 906 S C -1.256 173.352 174.600 0.014 0.000 1.108 906 S CA -0.936 57.289 58.200 0.042 0.000 0.971 906 S CB 0.912 64.139 63.200 0.045 0.000 1.041 906 S HN 0.402 nan 8.310 nan 0.000 0.483 907 L N 0.166 121.406 121.223 0.028 0.000 2.323 907 L HA 0.730 5.072 4.340 0.003 0.000 0.265 907 L C -0.510 176.341 176.870 -0.032 0.000 1.012 907 L CA -1.020 53.810 54.840 -0.017 0.000 0.820 907 L CB 0.209 42.278 42.059 0.016 0.000 1.334 907 L HN 0.378 nan 8.230 nan 0.000 0.427 908 K N 0.703 121.023 120.400 -0.133 0.000 2.172 908 K HA 0.664 4.985 4.320 0.003 0.000 0.276 908 K C -1.137 175.422 176.600 -0.067 0.000 1.013 908 K CA -0.734 55.476 56.287 -0.128 0.000 0.913 908 K CB 1.909 34.263 32.500 -0.244 0.000 1.055 908 K HN 0.450 nan 8.250 nan 0.000 0.461 909 V N 3.913 123.796 119.914 -0.051 0.000 2.347 909 V HA 0.187 4.309 4.120 0.003 0.000 0.280 909 V C -0.192 175.870 176.094 -0.053 0.000 1.021 909 V CA -0.872 61.400 62.300 -0.046 0.000 0.847 909 V CB 1.394 33.163 31.823 -0.089 0.000 0.990 909 V HN 0.460 nan 8.190 nan 0.000 0.444 910 V N 7.965 127.857 119.914 -0.037 0.000 2.472 910 V HA 0.396 4.518 4.120 0.003 0.000 0.290 910 V C -2.075 173.945 176.094 -0.123 0.000 1.037 910 V CA -2.075 60.191 62.300 -0.057 0.000 0.908 910 V CB 1.986 33.827 31.823 0.030 0.000 0.985 910 V HN 0.693 nan 8.190 nan 0.000 0.454 911 P HA 0.045 nan 4.420 nan 0.000 0.269 911 P C 0.379 177.602 177.300 -0.129 0.000 1.211 911 P CA 0.072 63.008 63.100 -0.274 0.000 0.781 911 P CB 0.619 31.965 31.700 -0.591 0.000 0.877 912 E N 0.468 120.659 120.200 -0.016 0.000 2.204 912 E HA -0.036 4.315 4.350 0.003 0.000 0.195 912 E C 1.503 178.145 176.600 0.070 0.000 0.990 912 E CA 1.054 57.475 56.400 0.035 0.000 0.821 912 E CB -0.690 29.045 29.700 0.058 0.000 0.750 912 E HN 0.575 nan 8.360 nan 0.000 0.477 913 G N 0.566 109.422 108.800 0.093 0.000 2.590 913 G HA2 0.222 4.184 3.960 0.003 0.000 0.276 913 G HA3 0.222 4.184 3.960 0.003 0.000 0.276 913 G C -0.352 174.651 174.900 0.172 0.000 1.337 913 G CA -0.500 44.685 45.100 0.142 0.000 1.030 913 G HN 0.222 nan 8.290 nan 0.000 0.534 914 I N -0.864 119.772 120.570 0.110 0.000 2.465 914 I HA 0.438 4.610 4.170 0.003 0.000 0.291 914 I C 0.161 176.223 176.117 -0.091 0.000 1.014 914 I CA -1.059 60.270 61.300 0.048 0.000 1.093 914 I CB 1.421 39.425 38.000 0.006 0.000 1.267 914 I HN 0.455 nan 8.210 nan 0.000 0.431 915 R N 7.239 127.661 120.500 -0.130 0.000 2.523 915 R HA 0.191 4.532 4.340 0.003 0.000 0.281 915 R C -0.702 175.437 176.300 -0.268 0.000 0.969 915 R CA 0.734 56.654 56.100 -0.299 0.000 1.093 915 R CB 0.263 30.456 30.300 -0.178 0.000 0.917 915 R HN 0.515 nan 8.270 nan 0.000 0.408 916 M N 2.179 121.555 119.600 -0.373 0.000 2.520 916 M HA 0.246 4.728 4.480 0.003 0.000 0.283 916 M C -1.230 174.992 176.300 -0.130 0.000 1.237 916 M CA -1.201 53.916 55.300 -0.305 0.000 0.885 916 M CB 2.380 34.651 32.600 -0.549 0.000 1.727 916 M HN 0.601 nan 8.290 nan 0.000 0.468 917 N N 0.877 119.581 118.700 0.008 0.000 2.346 917 N HA 0.477 5.219 4.740 0.003 0.000 0.289 917 N C -1.633 173.959 175.510 0.136 0.000 1.027 917 N CA -0.756 52.349 53.050 0.092 0.000 0.864 917 N CB 1.844 40.354 38.487 0.037 0.000 1.370 917 N HN 0.417 nan 8.380 nan 0.000 0.481 918 K N 1.218 121.718 120.400 0.167 0.000 2.339 918 K HA 0.327 4.649 4.320 0.003 0.000 0.264 918 K C -0.752 175.880 176.600 0.053 0.000 0.986 918 K CA -0.669 55.681 56.287 0.107 0.000 0.866 918 K CB 1.321 33.868 32.500 0.077 0.000 1.103 918 K HN 0.557 nan 8.250 nan 0.000 0.441 919 T N 2.970 117.546 114.554 0.037 0.000 2.775 919 T HA 0.013 4.364 4.350 0.003 0.000 0.281 919 T C 1.616 176.322 174.700 0.011 0.000 0.908 919 T CA -0.215 61.899 62.100 0.023 0.000 1.123 919 T CB 0.365 69.243 68.868 0.017 0.000 0.879 919 T HN 0.252 nan 8.240 nan 0.000 0.547 920 V N 2.247 122.168 119.914 0.011 0.000 2.323 920 V HA 0.205 4.327 4.120 0.003 0.000 0.244 920 V C 1.194 177.276 176.094 -0.020 0.000 1.041 920 V CA 1.366 63.662 62.300 -0.008 0.000 1.025 920 V CB -0.463 31.362 31.823 0.003 0.000 0.656 920 V HN 0.968 nan 8.190 nan 0.000 0.451 921 A N -1.081 121.735 122.820 -0.007 0.000 2.589 921 A HA 0.700 5.022 4.320 0.003 0.000 0.296 921 A C -1.480 176.102 177.584 -0.003 0.000 1.062 921 A CA -0.325 51.700 52.037 -0.020 0.000 0.686 921 A CB 2.059 21.028 19.000 -0.052 0.000 1.282 921 A HN 0.001 nan 8.150 nan 0.000 0.404 922 V N 3.650 123.559 119.914 -0.009 0.000 2.398 922 V HA 0.528 4.650 4.120 0.003 0.000 0.282 922 V C -0.796 175.294 176.094 -0.007 0.000 1.014 922 V CA -0.672 61.626 62.300 -0.003 0.000 0.838 922 V CB 1.289 33.110 31.823 -0.003 0.000 1.018 922 V HN 0.843 nan 8.190 nan 0.000 0.432 923 R N 2.104 122.602 120.500 -0.004 0.000 2.599 923 R HA 0.588 4.929 4.340 0.003 0.000 0.295 923 R C -0.321 175.978 176.300 -0.002 0.000 0.963 923 R CA -0.652 55.445 56.100 -0.006 0.000 0.883 923 R CB 1.915 32.209 30.300 -0.010 0.000 1.171 923 R HN 0.508 nan 8.270 nan 0.000 0.450 924 T N 3.944 118.498 114.554 -0.001 0.000 2.794 924 T HA 0.334 4.686 4.350 0.003 0.000 0.296 924 T C 0.505 175.207 174.700 0.004 0.000 0.949 924 T CA -0.351 61.750 62.100 0.002 0.000 1.101 924 T CB 0.398 69.268 68.868 0.003 0.000 0.905 924 T HN 0.194 nan 8.240 nan 0.000 0.516 925 L N 4.238 125.464 121.223 0.005 0.000 2.260 925 L HA 0.461 4.802 4.340 0.003 0.000 0.289 925 L C 0.224 177.101 176.870 0.012 0.000 1.057 925 L CA -0.321 54.524 54.840 0.008 0.000 0.811 925 L CB 0.533 42.596 42.059 0.006 0.000 1.184 925 L HN 0.582 nan 8.230 nan 0.000 0.429 926 D N 4.750 125.158 120.400 0.013 0.000 2.752 926 D HA 0.208 4.850 4.640 0.003 0.000 0.242 926 D C -2.072 174.238 176.300 0.016 0.000 1.295 926 D CA -1.358 52.652 54.000 0.016 0.000 0.846 926 D CB 1.715 42.526 40.800 0.018 0.000 1.454 926 D HN 0.071 nan 8.370 nan 0.000 0.535 927 P HA -0.144 nan 4.420 nan 0.000 0.214 927 P C 1.213 178.524 177.300 0.017 0.000 1.163 927 P CA 1.131 64.241 63.100 0.016 0.000 0.889 927 P CB 0.438 32.148 31.700 0.016 0.000 0.790 928 E N -1.000 119.212 120.200 0.020 0.000 2.204 928 E HA -0.188 4.164 4.350 0.003 0.000 0.195 928 E C 2.084 178.696 176.600 0.021 0.000 0.990 928 E CA 0.987 57.400 56.400 0.021 0.000 0.821 928 E CB -0.277 29.437 29.700 0.024 0.000 0.750 928 E HN 0.316 nan 8.360 nan 0.000 0.477 929 R N -0.362 120.150 120.500 0.020 0.000 2.191 929 R HA 0.185 4.527 4.340 0.003 0.000 0.196 929 R C 1.974 178.283 176.300 0.015 0.000 0.991 929 R CA 0.103 56.214 56.100 0.019 0.000 1.075 929 R CB 0.373 30.686 30.300 0.020 0.000 1.040 929 R HN 0.064 nan 8.270 nan 0.000 0.526 930 L N -0.061 121.170 121.223 0.013 0.000 2.638 930 L HA 0.394 4.736 4.340 0.003 0.000 0.232 930 L C 0.955 177.830 176.870 0.008 0.000 1.099 930 L CA -0.185 54.661 54.840 0.010 0.000 0.883 930 L CB 1.188 43.252 42.059 0.008 0.000 1.136 930 L HN 0.141 nan 8.230 nan 0.000 0.492 931 G N 0.575 109.382 108.800 0.010 0.000 2.511 931 G HA2 0.522 4.484 3.960 0.003 0.000 0.316 931 G HA3 0.522 4.484 3.960 0.003 0.000 0.316 931 G C -0.664 174.242 174.900 0.010 0.000 1.210 931 G CA -0.562 44.544 45.100 0.010 0.000 0.969 931 G HN 0.132 nan 8.290 nan 0.000 0.492 932 R N -0.680 119.825 120.500 0.009 0.000 2.562 932 R HA 0.556 4.898 4.340 0.003 0.000 0.298 932 R C -0.627 175.680 176.300 0.011 0.000 0.961 932 R CA -0.518 55.587 56.100 0.010 0.000 0.881 932 R CB 1.552 31.856 30.300 0.007 0.000 1.159 932 R HN 0.449 nan 8.270 nan 0.000 0.450 933 E N 0.875 121.082 120.200 0.012 0.000 2.883 933 E HA -0.244 4.107 4.350 0.003 0.000 0.271 933 E C 0.807 177.416 176.600 0.015 0.000 1.049 933 E CA 1.744 58.152 56.400 0.013 0.000 0.817 933 E CB -1.412 28.295 29.700 0.011 0.000 1.407 933 E HN 1.207 nan 8.360 nan 0.000 0.434 934 G N -2.245 106.564 108.800 0.016 0.000 2.176 934 G HA2 -0.235 3.727 3.960 0.003 0.000 0.232 934 G HA3 -0.235 3.727 3.960 0.003 0.000 0.232 934 G C 0.268 175.178 174.900 0.016 0.000 0.986 934 G CA 0.413 45.523 45.100 0.017 0.000 0.643 934 G HN 1.211 nan 8.290 nan 0.000 0.522 935 V N -2.063 117.859 119.914 0.014 0.000 2.769 935 V HA 0.884 5.005 4.120 0.003 0.000 0.312 935 V C -0.495 175.606 176.094 0.012 0.000 1.061 935 V CA -0.490 61.819 62.300 0.014 0.000 0.931 935 V CB 2.020 33.851 31.823 0.013 0.000 1.010 935 V HN 0.578 nan 8.190 nan 0.000 0.433 936 Q N 3.102 122.909 119.800 0.012 0.000 2.330 936 Q HA 0.534 4.875 4.340 0.003 0.000 0.269 936 Q C -1.191 174.815 176.000 0.010 0.000 1.022 936 Q CA -0.716 55.093 55.803 0.010 0.000 0.796 936 Q CB 1.982 30.726 28.738 0.010 0.000 1.271 936 Q HN 0.881 nan 8.270 nan 0.000 0.450 937 K N 2.976 123.379 120.400 0.004 0.000 2.244 937 K HA 0.395 4.717 4.320 0.003 0.000 0.260 937 K C -1.032 175.562 176.600 -0.009 0.000 0.951 937 K CA -0.785 55.503 56.287 0.002 0.000 0.826 937 K CB 1.545 34.045 32.500 0.000 0.000 1.108 937 K HN 0.506 nan 8.250 nan 0.000 0.433 938 E N 2.505 122.697 120.200 -0.013 0.000 2.255 938 E HA 0.169 4.520 4.350 0.003 0.000 0.256 938 E C -1.302 175.253 176.600 -0.075 0.000 0.887 938 E CA -0.593 55.785 56.400 -0.037 0.000 0.782 938 E CB 1.687 31.371 29.700 -0.027 0.000 1.214 938 E HN 0.440 nan 8.360 nan 0.000 0.417 939 D N 3.149 123.491 120.400 -0.098 0.000 2.316 939 D HA 0.244 4.886 4.640 0.003 0.000 0.245 939 D C 0.173 176.331 176.300 -0.237 0.000 1.171 939 D CA -0.278 53.632 54.000 -0.151 0.000 0.856 939 D CB 1.164 41.900 40.800 -0.106 0.000 1.090 939 D HN 0.260 nan 8.370 nan 0.000 0.476 940 I N 4.260 124.568 120.570 -0.438 0.000 2.353 940 I HA 0.278 4.450 4.170 0.003 0.000 0.293 940 I C -2.140 173.695 176.117 -0.470 0.000 0.992 940 I CA -2.525 58.440 61.300 -0.558 0.000 1.268 940 I CB 0.951 38.300 38.000 -1.085 0.000 1.387 940 I HN -0.042 nan 8.210 nan 0.000 0.478 941 P HA 0.343 nan 4.420 nan 0.000 0.279 941 P C -2.533 174.679 177.300 -0.148 0.000 1.252 941 P CA -1.403 61.588 63.100 -0.182 0.000 0.811 941 P CB -0.082 31.542 31.700 -0.128 0.000 1.035 942 P HA 0.115 nan 4.420 nan 0.000 0.272 942 P C -0.575 176.677 177.300 -0.079 0.000 1.223 942 P CA -0.121 62.942 63.100 -0.062 0.000 0.784 942 P CB 0.412 32.070 31.700 -0.069 0.000 0.923 943 A N 1.663 124.434 122.820 -0.082 0.000 2.425 943 A HA 0.023 4.345 4.320 0.003 0.000 0.242 943 A C 1.459 178.952 177.584 -0.152 0.000 1.077 943 A CA -0.027 51.938 52.037 -0.119 0.000 0.781 943 A CB -0.329 18.579 19.000 -0.153 0.000 1.020 943 A HN 0.631 nan 8.150 nan 0.000 0.494 944 D N 0.471 120.783 120.400 -0.147 0.000 2.095 944 D HA -0.163 4.479 4.640 0.003 0.000 0.192 944 D C 0.928 177.118 176.300 -0.183 0.000 0.990 944 D CA 1.751 55.670 54.000 -0.135 0.000 0.836 944 D CB -0.301 40.443 40.800 -0.093 0.000 0.979 944 D HN 0.651 nan 8.370 nan 0.000 0.447 945 L N 0.362 121.421 121.223 -0.273 0.000 3.678 945 L HA -0.254 4.088 4.340 0.003 0.000 0.425 945 L C 1.417 178.209 176.870 -0.129 0.000 1.240 945 L CA 0.354 54.989 54.840 -0.342 0.000 0.876 945 L CB -2.261 39.557 42.059 -0.401 0.000 1.766 945 L HN 0.137 nan 8.230 nan 0.000 0.917 946 S N -1.379 114.287 115.700 -0.056 0.000 2.436 946 S HA -0.066 4.405 4.470 0.003 0.000 0.228 946 S C 1.221 175.864 174.600 0.073 0.000 1.014 946 S CA 0.715 58.915 58.200 -0.001 0.000 0.950 946 S CB 0.032 63.231 63.200 -0.001 0.000 0.784 946 S HN 0.684 nan 8.310 nan 0.000 0.504 947 D N 0.561 121.035 120.400 0.123 0.000 2.340 947 D HA 0.069 4.711 4.640 0.003 0.000 0.217 947 D C 0.574 177.033 176.300 0.264 0.000 1.081 947 D CA -0.274 53.833 54.000 0.178 0.000 0.842 947 D CB -0.702 40.204 40.800 0.177 0.000 0.934 947 D HN 0.563 nan 8.370 nan 0.000 0.511 948 Q N 0.992 120.975 119.800 0.305 0.000 2.330 948 Q HA 0.106 4.448 4.340 0.003 0.000 0.279 948 Q C -0.428 175.774 176.000 0.337 0.000 1.024 948 Q CA -0.275 55.780 55.803 0.419 0.000 0.900 948 Q CB 0.956 29.904 28.738 0.350 0.000 1.221 948 Q HN -0.032 nan 8.270 nan 0.000 0.396 949 V N 7.476 127.545 119.914 0.259 0.000 2.585 949 V HA 0.085 4.206 4.120 0.003 0.000 0.296 949 V C -1.987 173.985 176.094 -0.204 0.000 1.035 949 V CA -1.112 61.203 62.300 0.025 0.000 1.084 949 V CB 0.583 32.444 31.823 0.063 0.000 0.953 949 V HN 0.847 nan 8.190 nan 0.000 0.483 950 P HA 0.058 nan 4.420 nan 0.000 0.266 950 P C 0.259 176.819 177.300 -1.234 0.000 1.195 950 P CA 0.430 62.621 63.100 -1.514 0.000 0.768 950 P CB 0.190 30.934 31.700 -1.592 0.000 0.838 951 D N 0.138 119.616 120.400 -1.537 0.000 2.800 951 D HA -0.142 4.499 4.640 0.003 0.000 0.232 951 D C -0.808 175.357 176.300 -0.225 0.000 1.137 951 D CA 1.580 55.214 54.000 -0.610 0.000 0.718 951 D CB -1.501 39.093 40.800 -0.344 0.000 1.084 951 D HN 0.480 nan 8.370 nan 0.000 0.432 952 T N -1.899 112.620 114.554 -0.059 0.000 2.886 952 T HA 0.596 4.947 4.350 0.003 0.000 0.292 952 T C -0.008 174.884 174.700 0.320 0.000 1.012 952 T CA -0.845 61.334 62.100 0.131 0.000 0.982 952 T CB 1.928 70.857 68.868 0.101 0.000 1.018 952 T HN 0.264 nan 8.240 nan 0.000 0.451 953 E N 2.030 122.367 120.200 0.230 0.000 2.319 953 E HA 0.606 4.958 4.350 0.003 0.000 0.268 953 E C -0.276 176.455 176.600 0.218 0.000 1.050 953 E CA -0.944 55.581 56.400 0.209 0.000 0.878 953 E CB 1.056 30.841 29.700 0.141 0.000 1.066 953 E HN 0.745 nan 8.360 nan 0.000 0.406 954 S N 0.903 116.702 115.700 0.165 0.000 2.677 954 S HA 0.524 4.995 4.470 0.003 0.000 0.304 954 S C -0.689 173.967 174.600 0.093 0.000 1.108 954 S CA -0.991 57.302 58.200 0.156 0.000 0.944 954 S CB 1.782 65.069 63.200 0.145 0.000 1.127 954 S HN 0.725 nan 8.310 nan 0.000 0.511 955 E N -0.140 120.110 120.200 0.082 0.000 2.275 955 E HA 0.490 4.842 4.350 0.003 0.000 0.270 955 E C -1.560 175.061 176.600 0.036 0.000 0.882 955 E CA -0.497 55.931 56.400 0.047 0.000 0.758 955 E CB 1.966 31.692 29.700 0.044 0.000 1.195 955 E HN 0.644 nan 8.360 nan 0.000 0.419 956 T N 4.159 118.720 114.554 0.012 0.000 2.767 956 T HA 0.415 4.766 4.350 0.003 0.000 0.284 956 T C -0.369 174.320 174.700 -0.019 0.000 0.973 956 T CA -0.580 61.526 62.100 0.010 0.000 0.996 956 T CB 0.681 69.561 68.868 0.020 0.000 0.927 956 T HN 0.317 nan 8.240 nan 0.000 0.456 957 R N 2.794 123.292 120.500 -0.003 0.000 2.368 957 R HA 0.529 4.871 4.340 0.003 0.000 0.302 957 R C -0.433 175.854 176.300 -0.023 0.000 1.002 957 R CA -0.601 55.486 56.100 -0.021 0.000 0.929 957 R CB 1.227 31.523 30.300 -0.006 0.000 1.073 957 R HN 0.570 nan 8.270 nan 0.000 0.464 958 I N 5.269 125.801 120.570 -0.064 0.000 2.371 958 I HA 0.247 4.418 4.170 0.003 0.000 0.282 958 I C -0.378 175.703 176.117 -0.060 0.000 1.031 958 I CA -0.440 60.828 61.300 -0.054 0.000 1.180 958 I CB 0.909 38.821 38.000 -0.148 0.000 1.336 958 I HN 0.329 nan 8.210 nan 0.000 0.467 959 L N 7.133 128.335 121.223 -0.035 0.000 2.264 959 L HA 0.559 4.901 4.340 0.003 0.000 0.289 959 L C -0.469 176.360 176.870 -0.068 0.000 1.044 959 L CA -0.450 54.357 54.840 -0.056 0.000 0.807 959 L CB 1.132 43.171 42.059 -0.034 0.000 1.192 959 L HN 0.454 nan 8.230 nan 0.000 0.425 960 L N 4.122 125.275 121.223 -0.117 0.000 2.346 960 L HA 0.594 4.936 4.340 0.003 0.000 0.276 960 L C -0.474 176.335 176.870 -0.102 0.000 1.006 960 L CA -0.355 54.414 54.840 -0.118 0.000 0.817 960 L CB 2.077 44.019 42.059 -0.195 0.000 1.272 960 L HN 0.618 nan 8.230 nan 0.000 0.421 961 Q N 1.381 121.138 119.800 -0.071 0.000 2.295 961 Q HA 0.471 4.813 4.340 0.003 0.000 0.268 961 Q C -0.649 175.320 176.000 -0.052 0.000 1.010 961 Q CA -0.614 55.151 55.803 -0.063 0.000 0.856 961 Q CB 2.342 31.046 28.738 -0.056 0.000 1.349 961 Q HN 0.771 nan 8.270 nan 0.000 0.412 962 G N 1.221 109.987 108.800 -0.058 0.000 2.527 962 G HA2 0.316 4.278 3.960 0.003 0.000 0.248 962 G HA3 0.316 4.278 3.960 0.003 0.000 0.248 962 G C -0.548 174.323 174.900 -0.049 0.000 1.231 962 G CA -0.018 45.054 45.100 -0.046 0.000 0.838 962 G HN 0.495 nan 8.290 nan 0.000 0.570 963 T N 3.627 118.171 114.554 -0.017 0.000 3.053 963 T HA 0.402 4.754 4.350 0.003 0.000 0.363 963 T C -2.428 172.288 174.700 0.027 0.000 1.239 963 T CA -0.789 61.307 62.100 -0.007 0.000 1.071 963 T CB 1.389 70.264 68.868 0.013 0.000 1.089 963 T HN 0.260 nan 8.240 nan 0.000 0.527 964 P HA 0.222 nan 4.420 nan 0.000 0.267 964 P C -0.851 176.558 177.300 0.183 0.000 1.209 964 P CA -0.240 62.873 63.100 0.022 0.000 0.763 964 P CB 0.536 32.039 31.700 -0.329 0.000 0.816 965 V N 3.399 123.525 119.914 0.354 0.000 2.407 965 V HA 0.527 4.649 4.120 0.003 0.000 0.291 965 V C 0.450 176.694 176.094 0.250 0.000 1.018 965 V CA -1.068 61.370 62.300 0.231 0.000 0.842 965 V CB 1.297 33.209 31.823 0.148 0.000 0.996 965 V HN 0.644 nan 8.190 nan 0.000 0.426 966 A N 3.690 126.634 122.820 0.207 0.000 2.445 966 A HA 0.441 4.763 4.320 0.003 0.000 0.242 966 A C 0.188 177.821 177.584 0.082 0.000 1.075 966 A CA -0.005 52.130 52.037 0.163 0.000 0.777 966 A CB 0.289 19.373 19.000 0.140 0.000 1.013 966 A HN 0.844 nan 8.150 nan 0.000 0.493 967 Q N 1.334 121.155 119.800 0.034 0.000 2.293 967 Q HA 0.374 4.716 4.340 0.003 0.000 0.263 967 Q C -0.401 175.611 176.000 0.020 0.000 1.002 967 Q CA 0.573 56.372 55.803 -0.008 0.000 0.910 967 Q CB 0.267 28.959 28.738 -0.077 0.000 1.185 967 Q HN 0.612 nan 8.270 nan 0.000 0.401 968 M N 3.714 123.336 119.600 0.036 0.000 2.869 968 M HA 0.115 4.597 4.480 0.003 0.000 0.299 968 M C -0.578 175.776 176.300 0.089 0.000 1.508 968 M CA 0.369 55.706 55.300 0.062 0.000 1.551 968 M CB -0.065 32.575 32.600 0.066 0.000 1.384 968 M HN 0.468 nan 8.290 nan 0.000 0.491 969 T N 2.263 116.868 114.554 0.085 0.000 2.771 969 T HA 0.254 4.605 4.350 0.003 0.000 0.281 969 T C 0.082 174.895 174.700 0.189 0.000 0.982 969 T CA -0.914 61.265 62.100 0.131 0.000 0.978 969 T CB 1.111 69.985 68.868 0.009 0.000 0.930 969 T HN 0.384 nan 8.240 nan 0.000 0.447 970 E N 2.749 123.138 120.200 0.314 0.000 2.414 970 E HA 0.039 4.390 4.350 0.003 0.000 0.263 970 E C -0.109 176.626 176.600 0.224 0.000 1.000 970 E CA -0.106 56.433 56.400 0.232 0.000 0.914 970 E CB 0.455 30.257 29.700 0.170 0.000 0.948 970 E HN 0.504 nan 8.360 nan 0.000 0.444 971 D N 0.847 121.336 120.400 0.149 0.000 2.443 971 D HA 0.151 4.793 4.640 0.003 0.000 0.239 971 D C 0.077 176.478 176.300 0.168 0.000 1.136 971 D CA 0.181 54.261 54.000 0.132 0.000 0.879 971 D CB 0.585 41.444 40.800 0.098 0.000 1.195 971 D HN 0.428 nan 8.370 nan 0.000 0.443 972 A N 1.749 124.671 122.820 0.169 0.000 2.332 972 A HA 0.334 4.656 4.320 0.003 0.000 0.258 972 A C 0.057 177.791 177.584 0.250 0.000 1.087 972 A CA -0.687 51.498 52.037 0.246 0.000 0.802 972 A CB 0.482 19.592 19.000 0.185 0.000 1.042 972 A HN 0.384 nan 8.150 nan 0.000 0.489 973 V N 2.364 122.486 119.914 0.347 0.000 2.540 973 V HA -0.015 4.107 4.120 0.003 0.000 0.297 973 V C 0.620 176.818 176.094 0.173 0.000 1.024 973 V CA 0.112 62.546 62.300 0.224 0.000 1.105 973 V CB 0.116 32.039 31.823 0.168 0.000 0.938 973 V HN 0.960 nan 8.190 nan 0.000 0.482 974 D N 4.124 124.561 120.400 0.062 0.000 2.525 974 D HA 0.148 4.790 4.640 0.003 0.000 0.235 974 D C 1.071 177.376 176.300 0.007 0.000 1.137 974 D CA 0.747 54.759 54.000 0.021 0.000 0.868 974 D CB 1.383 42.165 40.800 -0.029 0.000 1.180 974 D HN 0.637 nan 8.370 nan 0.000 0.465 975 A N 3.785 126.627 122.820 0.037 0.000 1.972 975 A HA -0.188 4.134 4.320 0.003 0.000 0.219 975 A C 1.924 179.562 177.584 0.090 0.000 1.169 975 A CA 1.578 53.662 52.037 0.078 0.000 0.635 975 A CB -0.553 18.508 19.000 0.102 0.000 0.810 975 A HN 0.810 nan 8.150 nan 0.000 0.446 976 E N -0.392 119.802 120.200 -0.010 0.000 2.265 976 E HA -0.172 4.180 4.350 0.003 0.000 0.196 976 E C 1.898 178.449 176.600 -0.082 0.000 0.996 976 E CA 0.555 56.910 56.400 -0.076 0.000 0.832 976 E CB 0.013 29.663 29.700 -0.083 0.000 0.756 976 E HN 0.446 nan 8.360 nan 0.000 0.491 977 R N -0.163 120.262 120.500 -0.124 0.000 2.189 977 R HA -0.039 4.303 4.340 0.003 0.000 0.218 977 R C 1.727 178.021 176.300 -0.010 0.000 1.074 977 R CA 0.598 56.567 56.100 -0.219 0.000 0.991 977 R CB -0.068 29.859 30.300 -0.622 0.000 0.883 977 R HN 0.312 nan 8.270 nan 0.000 0.457 978 L N 0.680 121.896 121.223 -0.012 0.000 2.653 978 L HA 0.138 4.480 4.340 0.003 0.000 0.231 978 L C 1.534 178.404 176.870 -0.001 0.000 1.153 978 L CA -0.161 54.614 54.840 -0.108 0.000 0.933 978 L CB -0.079 41.858 42.059 -0.203 0.000 1.175 978 L HN -0.180 nan 8.230 nan 0.000 0.473 979 K N 0.655 121.106 120.400 0.087 0.000 2.152 979 K HA -0.165 4.156 4.320 0.003 0.000 0.206 979 K C 2.006 178.650 176.600 0.072 0.000 1.048 979 K CA 1.317 57.633 56.287 0.048 0.000 0.933 979 K CB -0.390 32.071 32.500 -0.066 0.000 0.721 979 K HN 0.582 nan 8.250 nan 0.000 0.447 980 H N -0.324 118.761 119.070 0.025 0.000 2.502 980 H HA 0.090 4.648 4.556 0.003 0.000 0.283 980 H C 1.920 177.272 175.328 0.039 0.000 1.015 980 H CA 0.369 56.434 56.048 0.029 0.000 1.298 980 H CB -0.519 29.256 29.762 0.022 0.000 1.411 980 H HN 0.063 nan 8.280 nan 0.000 0.556 981 L N 1.066 121.985 121.223 -0.508 0.000 2.141 981 L HA -0.042 4.300 4.340 0.003 0.000 0.209 981 L C 0.737 177.547 176.870 -0.100 0.000 1.094 981 L CA 0.344 54.979 54.840 -0.341 0.000 0.763 981 L CB -0.210 41.580 42.059 -0.448 0.000 0.908 981 L HN 0.126 nan 8.230 nan 0.000 0.437 982 I N 1.864 122.421 120.570 -0.021 0.000 2.574 982 I HA 0.016 4.188 4.170 0.003 0.000 0.291 982 I C -0.039 176.113 176.117 0.058 0.000 1.131 982 I CA 0.652 61.984 61.300 0.054 0.000 1.352 982 I CB -0.426 37.661 38.000 0.145 0.000 1.431 982 I HN -0.196 nan 8.210 nan 0.000 0.543 983 V N 5.602 125.547 119.914 0.052 0.000 2.735 983 V HA 0.333 4.455 4.120 0.003 0.000 0.310 983 V C 0.344 176.474 176.094 0.060 0.000 1.061 983 V CA -0.756 61.580 62.300 0.059 0.000 0.913 983 V CB 2.371 34.231 31.823 0.061 0.000 1.005 983 V HN 0.661 nan 8.190 nan 0.000 0.428 984 T N 6.042 120.632 114.554 0.059 0.000 2.737 984 T HA 0.294 4.645 4.350 0.003 0.000 0.296 984 T C -2.448 172.287 174.700 0.058 0.000 0.922 984 T CA -0.686 61.449 62.100 0.057 0.000 1.079 984 T CB 0.733 69.633 68.868 0.054 0.000 0.892 984 T HN 0.436 nan 8.240 nan 0.000 0.514 985 P HA 0.246 nan 4.420 nan 0.000 0.267 985 P C -0.518 176.820 177.300 0.064 0.000 1.209 985 P CA -0.142 62.995 63.100 0.063 0.000 0.763 985 P CB 0.491 32.236 31.700 0.074 0.000 0.816 986 S N 1.473 117.205 115.700 0.055 0.000 2.625 986 S HA 0.873 5.345 4.470 0.003 0.000 0.271 986 S C -0.106 174.519 174.600 0.042 0.000 1.161 986 S CA -0.115 58.122 58.200 0.061 0.000 0.820 986 S CB 1.578 64.814 63.200 0.060 0.000 1.137 986 S HN 0.855 nan 8.310 nan 0.000 0.470 987 G N -0.272 108.564 108.800 0.060 0.000 2.500 987 G HA2 0.000 3.962 3.960 0.003 0.000 0.209 987 G HA3 0.000 3.962 3.960 0.003 0.000 0.209 987 G C 0.011 174.915 174.900 0.007 0.000 1.283 987 G CA -0.361 44.758 45.100 0.032 0.000 0.960 987 G HN 1.430 nan 8.290 nan 0.000 0.528 988 C N -0.526 118.677 119.300 -0.162 0.000 2.566 988 C HA 0.730 5.191 4.460 0.003 0.000 0.401 988 C C 2.724 177.070 174.990 -1.074 0.000 2.232 988 C CA 0.872 59.544 59.018 -0.576 0.000 1.808 988 C CB 0.576 28.019 27.740 -0.495 0.000 2.068 988 C HN 1.769 nan 8.230 nan 0.000 0.441 989 G N -0.082 107.657 108.800 -1.768 0.000 2.503 989 G HA2 -0.207 3.755 3.960 0.003 0.000 0.221 989 G HA3 -0.207 3.755 3.960 0.003 0.000 0.221 989 G C 1.300 175.928 174.900 -0.452 0.000 1.131 989 G CA 1.347 45.794 45.100 -1.089 0.000 0.756 989 G HN 0.871 nan 8.290 nan 0.000 0.572 990 E N -0.439 119.542 120.200 -0.364 0.000 2.099 990 E HA 0.001 4.352 4.350 0.003 0.000 0.191 990 E C 2.661 179.127 176.600 -0.225 0.000 0.962 990 E CA 0.397 56.688 56.400 -0.181 0.000 0.826 990 E CB -0.044 29.627 29.700 -0.048 0.000 0.788 990 E HN 0.447 nan 8.360 nan 0.000 0.461 991 Q N 0.820 120.449 119.800 -0.285 0.000 2.224 991 Q HA -0.135 4.207 4.340 0.003 0.000 0.203 991 Q C 1.868 177.787 176.000 -0.135 0.000 0.970 991 Q CA 1.001 56.645 55.803 -0.265 0.000 0.865 991 Q CB -0.102 28.519 28.738 -0.196 0.000 0.922 991 Q HN 0.094 nan 8.270 nan 0.000 0.445 992 N N 0.116 118.738 118.700 -0.130 0.000 2.166 992 N HA -0.145 4.597 4.740 0.003 0.000 0.186 992 N C 1.433 176.947 175.510 0.008 0.000 1.019 992 N CA 1.239 54.265 53.050 -0.040 0.000 0.856 992 N CB 0.130 38.599 38.487 -0.030 0.000 0.993 992 N HN 0.115 nan 8.380 nan 0.000 0.426 993 M N -0.120 119.477 119.600 -0.004 0.000 2.288 993 M HA 0.067 4.548 4.480 0.003 0.000 0.266 993 M C 1.959 178.326 176.300 0.112 0.000 1.072 993 M CA 0.662 56.009 55.300 0.079 0.000 1.132 993 M CB -0.758 31.914 32.600 0.121 0.000 1.386 993 M HN 0.209 nan 8.290 nan 0.000 0.432 994 I N -0.092 120.495 120.570 0.029 0.000 2.208 994 I HA -0.218 3.953 4.170 0.003 0.000 0.245 994 I C 2.407 178.556 176.117 0.054 0.000 1.097 994 I CA 1.536 62.846 61.300 0.016 0.000 1.363 994 I CB -0.839 37.095 38.000 -0.109 0.000 1.051 994 I HN 0.328 nan 8.210 nan 0.000 0.413 995 G N -0.106 108.717 108.800 0.039 0.000 2.494 995 G HA2 -0.171 3.791 3.960 0.003 0.000 0.216 995 G HA3 -0.171 3.791 3.960 0.003 0.000 0.216 995 G C 1.696 176.643 174.900 0.079 0.000 1.140 995 G CA 0.081 45.215 45.100 0.057 0.000 0.801 995 G HN 0.266 nan 8.290 nan 0.000 0.536 996 M N 0.635 120.289 119.600 0.091 0.000 2.349 996 M HA 0.015 4.496 4.480 0.003 0.000 0.266 996 M C 2.405 178.783 176.300 0.131 0.000 1.076 996 M CA 1.152 56.514 55.300 0.104 0.000 1.126 996 M CB -0.148 32.522 32.600 0.116 0.000 1.392 996 M HN 0.142 nan 8.290 nan 0.000 0.440 997 T N 1.689 116.344 114.554 0.168 0.000 2.652 997 T HA -0.082 4.269 4.350 0.003 0.000 0.267 997 T C -0.933 173.909 174.700 0.237 0.000 1.039 997 T CA 1.670 63.924 62.100 0.257 0.000 1.153 997 T CB -1.381 67.683 68.868 0.326 0.000 0.863 997 T HN 0.330 nan 8.240 nan 0.000 0.428 998 P HA -0.040 nan 4.420 nan 0.000 0.215 998 P C 1.626 178.925 177.300 -0.002 0.000 1.157 998 P CA 1.305 64.445 63.100 0.067 0.000 0.868 998 P CB -0.314 31.411 31.700 0.041 0.000 0.788 999 T N -0.664 113.907 114.554 0.028 0.000 2.746 999 T HA -0.095 4.256 4.350 0.003 0.000 0.267 999 T C 1.870 176.584 174.700 0.023 0.000 1.039 999 T CA 1.226 63.335 62.100 0.015 0.000 1.142 999 T CB -1.084 67.809 68.868 0.043 0.000 0.866 999 T HN -0.117 nan 8.240 nan 0.000 0.444 1000 V N 1.051 121.005 119.914 0.067 0.000 2.295 1000 V HA -0.093 4.029 4.120 0.003 0.000 0.246 1000 V C 2.334 178.465 176.094 0.062 0.000 1.049 1000 V CA 1.221 63.569 62.300 0.080 0.000 1.024 1000 V CB -0.482 31.421 31.823 0.134 0.000 0.648 1000 V HN 0.348 nan 8.190 nan 0.000 0.447 1001 I N 0.226 120.819 120.570 0.039 0.000 2.546 1001 I HA -0.040 4.132 4.170 0.003 0.000 0.255 1001 I C 2.271 178.323 176.117 -0.109 0.000 1.163 1001 I CA 1.264 62.531 61.300 -0.054 0.000 1.457 1001 I CB -0.516 37.433 38.000 -0.085 0.000 1.092 1001 I HN 0.171 nan 8.210 nan 0.000 0.434 1002 A N -0.494 122.209 122.820 -0.196 0.000 1.854 1002 A HA -0.107 4.214 4.320 0.003 0.000 0.214 1002 A C 2.333 179.788 177.584 -0.215 0.000 1.192 1002 A CA 1.827 53.663 52.037 -0.334 0.000 0.611 1002 A CB -1.114 17.680 19.000 -0.343 0.000 0.832 1002 A HN 0.219 nan 8.150 nan 0.000 0.442 1003 V N -0.105 119.774 119.914 -0.058 0.000 2.392 1003 V HA -0.294 3.828 4.120 0.003 0.000 0.249 1003 V C 2.461 178.627 176.094 0.119 0.000 1.059 1003 V CA 2.556 64.928 62.300 0.120 0.000 1.051 1003 V CB -1.096 30.827 31.823 0.168 0.000 0.658 1003 V HN 0.848 nan 8.190 nan 0.000 0.455 1004 H N -0.946 118.120 119.070 -0.008 0.000 2.326 1004 H HA -0.225 4.332 4.556 0.003 0.000 0.301 1004 H C 2.140 177.459 175.328 -0.016 0.000 1.081 1004 H CA 2.291 58.334 56.048 -0.008 0.000 1.334 1004 H CB -0.300 29.441 29.762 -0.034 0.000 1.385 1004 H HN 0.476 nan 8.280 nan 0.000 0.504 1005 Y N 0.269 120.485 120.300 -0.139 0.000 2.200 1005 Y HA -0.124 4.428 4.550 0.003 0.000 0.290 1005 Y C 2.191 177.928 175.900 -0.270 0.000 1.137 1005 Y CA 1.481 59.474 58.100 -0.178 0.000 1.163 1005 Y CB -0.195 38.192 38.460 -0.122 0.000 0.988 1005 Y HN 0.204 nan 8.280 nan 0.000 0.518 1006 L N -0.307 120.752 121.223 -0.274 0.000 2.083 1006 L HA -0.227 4.115 4.340 0.003 0.000 0.209 1006 L C 1.950 178.566 176.870 -0.424 0.000 1.083 1006 L CA 1.383 55.849 54.840 -0.624 0.000 0.752 1006 L CB -0.501 40.686 42.059 -1.454 0.000 0.899 1006 L HN 0.188 nan 8.230 nan 0.000 0.433 1007 D N -0.395 119.952 120.400 -0.088 0.000 2.117 1007 D HA -0.202 4.440 4.640 0.003 0.000 0.198 1007 D C 2.070 178.298 176.300 -0.120 0.000 0.982 1007 D CA 1.060 55.103 54.000 0.071 0.000 0.828 1007 D CB 0.038 40.875 40.800 0.062 0.000 0.967 1007 D HN 0.212 nan 8.370 nan 0.000 0.464 1008 E N 0.204 120.231 120.200 -0.288 0.000 2.047 1008 E HA -0.122 4.230 4.350 0.003 0.000 0.191 1008 E C 1.882 178.309 176.600 -0.288 0.000 0.987 1008 E CA 2.051 58.263 56.400 -0.313 0.000 0.799 1008 E CB -0.430 29.015 29.700 -0.424 0.000 0.752 1008 E HN 0.314 nan 8.360 nan 0.000 0.449 1009 T N -1.791 112.528 114.554 -0.392 0.000 3.088 1009 T HA 0.025 4.376 4.350 0.003 0.000 0.259 1009 T C 0.045 174.638 174.700 -0.178 0.000 1.122 1009 T CA 0.547 62.460 62.100 -0.311 0.000 1.095 1009 T CB -0.454 68.173 68.868 -0.403 0.000 0.930 1009 T HN 0.329 nan 8.240 nan 0.000 0.508 1010 E N 0.983 121.091 120.200 -0.153 0.000 2.246 1010 E HA -0.200 4.151 4.350 0.003 0.000 0.211 1010 E C 0.013 176.581 176.600 -0.054 0.000 1.278 1010 E CA 0.279 56.652 56.400 -0.045 0.000 0.694 1010 E CB -1.648 28.045 29.700 -0.011 0.000 1.166 1010 E HN 0.705 nan 8.360 nan 0.000 0.370 1011 Q N -1.174 118.521 119.800 -0.175 0.000 2.172 1011 Q HA 0.059 4.401 4.340 0.003 0.000 0.217 1011 Q C 0.751 176.694 176.000 -0.095 0.000 0.832 1011 Q CA -0.237 55.490 55.803 -0.127 0.000 1.010 1011 Q CB 0.189 28.844 28.738 -0.139 0.000 1.133 1011 Q HN 0.512 nan 8.270 nan 0.000 0.489 1012 W N 1.389 122.700 121.300 0.018 0.000 2.538 1012 W HA -0.113 4.549 4.660 0.003 0.000 0.254 1012 W C 1.936 178.508 176.519 0.088 0.000 1.249 1012 W CA 0.666 58.043 57.345 0.054 0.000 1.253 1012 W CB 0.304 29.760 29.460 -0.006 0.000 1.130 1012 W HN 0.355 nan 8.180 nan 0.000 0.618 1013 E N 0.821 121.160 120.200 0.233 0.000 2.046 1013 E HA -0.212 4.140 4.350 0.003 0.000 0.190 1013 E C 1.813 178.492 176.600 0.131 0.000 0.982 1013 E CA 1.163 57.656 56.400 0.156 0.000 0.800 1013 E CB 0.148 29.907 29.700 0.099 0.000 0.756 1013 E HN -0.012 nan 8.360 nan 0.000 0.449 1014 K N -0.282 120.184 120.400 0.111 0.000 2.137 1014 K HA 0.015 4.336 4.320 0.003 0.000 0.202 1014 K C 1.600 178.257 176.600 0.093 0.000 1.052 1014 K CA 0.669 57.002 56.287 0.076 0.000 0.961 1014 K CB -0.387 32.141 32.500 0.046 0.000 0.741 1014 K HN 0.131 nan 8.250 nan 0.000 0.452 1015 F N 0.152 120.100 119.950 -0.003 0.000 2.128 1015 F HA 0.080 4.608 4.527 0.003 0.000 0.295 1015 F C 0.608 176.469 175.800 0.102 0.000 1.100 1015 F CA 1.581 59.580 58.000 -0.001 0.000 1.260 1015 F CB 0.508 39.428 39.000 -0.132 0.000 1.009 1015 F HN 0.083 nan 8.300 nan 0.000 0.476 1016 G N -0.087 108.974 108.800 0.435 0.000 2.789 1016 G HA2 -0.052 3.909 3.960 0.003 0.000 0.353 1016 G HA3 -0.052 3.909 3.960 0.003 0.000 0.353 1016 G C 0.133 175.273 174.900 0.401 0.000 1.220 1016 G CA -0.252 45.042 45.100 0.323 0.000 1.204 1016 G HN 0.287 nan 8.290 nan 0.000 0.574 1017 L N 0.944 122.316 121.223 0.247 0.000 2.081 1017 L HA -0.136 4.206 4.340 0.003 0.000 0.212 1017 L C 2.771 179.648 176.870 0.011 0.000 1.080 1017 L CA 2.158 57.073 54.840 0.125 0.000 0.754 1017 L CB -0.241 41.857 42.059 0.066 0.000 0.893 1017 L HN 0.717 nan 8.230 nan 0.000 0.433 1018 E N 0.148 120.377 120.200 0.049 0.000 2.150 1018 E HA -0.189 4.163 4.350 0.003 0.000 0.193 1018 E C 2.086 178.698 176.600 0.019 0.000 0.985 1018 E CA 0.785 57.191 56.400 0.011 0.000 0.814 1018 E CB -0.052 29.663 29.700 0.026 0.000 0.752 1018 E HN 0.456 nan 8.360 nan 0.000 0.466 1019 K N 0.830 121.305 120.400 0.124 0.000 2.211 1019 K HA -0.111 4.211 4.320 0.003 0.000 0.203 1019 K C 2.179 178.841 176.600 0.104 0.000 1.050 1019 K CA 0.537 56.945 56.287 0.201 0.000 0.945 1019 K CB -0.082 32.683 32.500 0.441 0.000 0.732 1019 K HN 0.010 nan 8.250 nan 0.000 0.451 1020 R N 1.384 121.775 120.500 -0.181 0.000 2.091 1020 R HA -0.240 4.102 4.340 0.003 0.000 0.238 1020 R C 2.329 178.445 176.300 -0.306 0.000 1.136 1020 R CA 1.784 57.502 56.100 -0.636 0.000 0.959 1020 R CB -0.065 29.334 30.300 -1.501 0.000 0.856 1020 R HN 0.044 nan 8.270 nan 0.000 0.437 1021 Q N -0.162 119.505 119.800 -0.221 0.000 2.096 1021 Q HA -0.087 4.254 4.340 0.003 0.000 0.204 1021 Q C 1.842 177.802 176.000 -0.067 0.000 0.982 1021 Q CA 2.176 57.897 55.803 -0.137 0.000 0.850 1021 Q CB -0.728 27.947 28.738 -0.105 0.000 0.901 1021 Q HN 0.499 nan 8.270 nan 0.000 0.422 1022 G N -0.420 108.365 108.800 -0.025 0.000 2.432 1022 G HA2 -0.167 3.795 3.960 0.003 0.000 0.219 1022 G HA3 -0.167 3.795 3.960 0.003 0.000 0.219 1022 G C 1.425 176.342 174.900 0.030 0.000 1.135 1022 G CA 0.873 45.983 45.100 0.015 0.000 0.767 1022 G HN 0.515 nan 8.290 nan 0.000 0.550 1023 A N 0.600 123.442 122.820 0.036 0.000 1.898 1023 A HA 0.169 4.491 4.320 0.003 0.000 0.216 1023 A C 2.394 179.989 177.584 0.017 0.000 1.181 1023 A CA 0.985 53.056 52.037 0.056 0.000 0.620 1023 A CB -0.364 18.701 19.000 0.109 0.000 0.819 1023 A HN 0.333 nan 8.150 nan 0.000 0.442 1024 L N -0.325 120.883 121.223 -0.026 0.000 2.083 1024 L HA -0.179 4.163 4.340 0.003 0.000 0.209 1024 L C 2.523 179.379 176.870 -0.023 0.000 1.083 1024 L CA 1.191 56.008 54.840 -0.040 0.000 0.752 1024 L CB -0.584 41.428 42.059 -0.077 0.000 0.899 1024 L HN 0.370 nan 8.230 nan 0.000 0.433 1025 E N 0.257 120.449 120.200 -0.013 0.000 2.153 1025 E HA -0.174 4.178 4.350 0.003 0.000 0.194 1025 E C 2.317 178.928 176.600 0.019 0.000 0.988 1025 E CA 1.045 57.446 56.400 0.001 0.000 0.811 1025 E CB -0.205 29.497 29.700 0.004 0.000 0.746 1025 E HN 0.526 nan 8.360 nan 0.000 0.466 1026 L N 0.267 121.506 121.223 0.027 0.000 2.156 1026 L HA -0.068 4.274 4.340 0.003 0.000 0.208 1026 L C 2.462 179.357 176.870 0.042 0.000 1.095 1026 L CA 0.636 55.500 54.840 0.040 0.000 0.770 1026 L CB -0.303 41.786 42.059 0.049 0.000 0.914 1026 L HN 0.076 nan 8.230 nan 0.000 0.439 1027 I N -0.144 120.442 120.570 0.026 0.000 2.252 1027 I HA -0.259 3.912 4.170 0.003 0.000 0.245 1027 I C 2.443 178.572 176.117 0.020 0.000 1.102 1027 I CA 1.295 62.605 61.300 0.016 0.000 1.385 1027 I CB -0.272 37.719 38.000 -0.015 0.000 1.064 1027 I HN 0.200 nan 8.210 nan 0.000 0.414 1028 K N 0.943 121.350 120.400 0.012 0.000 2.097 1028 K HA -0.224 4.098 4.320 0.003 0.000 0.206 1028 K C 2.161 178.823 176.600 0.103 0.000 1.049 1028 K CA 1.281 57.597 56.287 0.049 0.000 0.933 1028 K CB -0.188 32.325 32.500 0.021 0.000 0.717 1028 K HN 0.209 nan 8.250 nan 0.000 0.442 1029 K N 0.684 121.126 120.400 0.070 0.000 2.057 1029 K HA -0.133 4.189 4.320 0.003 0.000 0.207 1029 K C 2.206 178.857 176.600 0.086 0.000 1.049 1029 K CA 1.590 57.919 56.287 0.070 0.000 0.931 1029 K CB -0.234 32.300 32.500 0.057 0.000 0.714 1029 K HN 0.248 nan 8.250 nan 0.000 0.440 1030 G N -0.206 108.650 108.800 0.094 0.000 2.408 1030 G HA2 -0.281 3.681 3.960 0.003 0.000 0.217 1030 G HA3 -0.281 3.681 3.960 0.003 0.000 0.217 1030 G C 1.356 176.344 174.900 0.147 0.000 1.150 1030 G CA 0.779 45.947 45.100 0.113 0.000 0.776 1030 G HN 0.455 nan 8.290 nan 0.000 0.542 1031 Y N 1.858 122.147 120.300 -0.018 0.000 2.163 1031 Y HA -0.087 4.465 4.550 0.003 0.000 0.288 1031 Y C 2.957 178.883 175.900 0.042 0.000 1.136 1031 Y CA 2.148 60.196 58.100 -0.087 0.000 1.147 1031 Y CB -0.482 37.790 38.460 -0.315 0.000 0.987 1031 Y HN 0.154 nan 8.280 nan 0.000 0.509 1032 T N 0.773 115.286 114.554 -0.069 0.000 2.684 1032 T HA -0.235 4.117 4.350 0.003 0.000 0.267 1032 T C 1.705 176.364 174.700 -0.069 0.000 1.036 1032 T CA 2.006 64.029 62.100 -0.128 0.000 1.148 1032 T CB -0.259 68.615 68.868 0.011 0.000 0.863 1032 T HN 0.488 nan 8.240 nan 0.000 0.436 1033 Q N 0.282 120.101 119.800 0.032 0.000 2.167 1033 Q HA -0.116 4.226 4.340 0.003 0.000 0.202 1033 Q C 2.437 178.566 176.000 0.215 0.000 0.970 1033 Q CA 1.043 56.910 55.803 0.107 0.000 0.855 1033 Q CB -0.158 28.671 28.738 0.152 0.000 0.911 1033 Q HN 0.354 nan 8.270 nan 0.000 0.438 1034 Q N 0.943 120.866 119.800 0.206 0.000 2.224 1034 Q HA -0.083 4.259 4.340 0.003 0.000 0.203 1034 Q C 1.715 177.929 176.000 0.356 0.000 0.970 1034 Q CA 1.124 57.118 55.803 0.319 0.000 0.865 1034 Q CB -0.077 28.818 28.738 0.262 0.000 0.922 1034 Q HN 0.397 nan 8.270 nan 0.000 0.445 1035 L N -0.485 120.817 121.223 0.131 0.000 2.191 1035 L HA -0.110 4.231 4.340 0.003 0.000 0.212 1035 L C 2.214 179.100 176.870 0.026 0.000 1.103 1035 L CA 0.875 55.764 54.840 0.081 0.000 0.769 1035 L CB -0.723 41.271 42.059 -0.109 0.000 0.908 1035 L HN 0.255 nan 8.230 nan 0.000 0.438 1036 A N -0.380 122.410 122.820 -0.050 0.000 2.067 1036 A HA -0.120 4.202 4.320 0.003 0.000 0.219 1036 A C 1.625 178.971 177.584 -0.395 0.000 1.158 1036 A CA 1.212 53.088 52.037 -0.269 0.000 0.661 1036 A CB -0.529 18.218 19.000 -0.423 0.000 0.801 1036 A HN 0.406 nan 8.150 nan 0.000 0.452 1037 F N -0.694 119.287 119.950 0.053 0.000 2.664 1037 F HA 0.266 4.795 4.527 0.003 0.000 0.303 1037 F C 1.028 176.790 175.800 -0.064 0.000 1.092 1037 F CA -0.278 57.750 58.000 0.047 0.000 1.305 1037 F CB 0.214 39.278 39.000 0.106 0.000 1.054 1037 F HN 0.014 nan 8.300 nan 0.000 0.565 1038 R N 2.222 122.682 120.500 -0.066 0.000 2.296 1038 R HA 0.173 4.515 4.340 0.003 0.000 0.323 1038 R C -0.103 175.967 176.300 -0.382 0.000 1.067 1038 R CA -0.058 55.712 56.100 -0.550 0.000 0.946 1038 R CB 0.447 30.499 30.300 -0.414 0.000 0.991 1038 R HN 0.312 nan 8.270 nan 0.000 0.448 1039 Q N 4.654 124.181 119.800 -0.456 0.000 2.317 1039 Q HA 0.163 4.504 4.340 0.003 0.000 0.229 1039 Q C -1.667 174.172 176.000 -0.267 0.000 0.984 1039 Q CA -1.926 53.703 55.803 -0.289 0.000 0.911 1039 Q CB 0.834 29.412 28.738 -0.267 0.000 1.217 1039 Q HN 0.469 nan 8.270 nan 0.000 0.501 1040 P HA -0.188 nan 4.420 nan 0.000 0.220 1040 P C 0.870 178.096 177.300 -0.124 0.000 1.144 1040 P CA 1.417 64.447 63.100 -0.118 0.000 0.800 1040 P CB 0.132 31.791 31.700 -0.069 0.000 0.772 1041 S N -2.983 112.607 115.700 -0.183 0.000 2.603 1041 S HA 0.089 4.560 4.470 0.003 0.000 0.220 1041 S C 1.030 175.441 174.600 -0.315 0.000 0.967 1041 S CA 0.439 58.532 58.200 -0.179 0.000 0.920 1041 S CB -0.868 62.215 63.200 -0.195 0.000 0.773 1041 S HN 0.005 nan 8.310 nan 0.000 0.529 1042 S N -0.363 115.121 115.700 -0.360 0.000 3.228 1042 S HA -0.142 4.330 4.470 0.003 0.000 0.282 1042 S C 0.472 174.697 174.600 -0.625 0.000 1.286 1042 S CA 0.613 58.587 58.200 -0.378 0.000 1.066 1042 S CB -2.121 61.005 63.200 -0.123 0.000 1.277 1042 S HN 1.251 nan 8.310 nan 0.000 0.661 1043 A N -0.227 122.027 122.820 -0.943 0.000 2.242 1043 A HA 0.861 5.183 4.320 0.003 0.000 0.304 1043 A C -0.339 176.700 177.584 -0.909 0.000 1.100 1043 A CA -0.228 51.143 52.037 -1.110 0.000 0.860 1043 A CB 0.519 18.312 19.000 -2.012 0.000 1.168 1043 A HN 0.291 nan 8.150 nan 0.000 0.503 1044 F N -1.334 118.399 119.950 -0.362 0.000 2.563 1044 F HA 0.712 5.241 4.527 0.003 0.000 0.316 1044 F C 0.449 176.194 175.800 -0.091 0.000 1.076 1044 F CA 0.129 58.029 58.000 -0.166 0.000 0.921 1044 F CB 2.482 41.400 39.000 -0.136 0.000 1.209 1044 F HN 0.825 nan 8.300 nan 0.000 0.462 1045 A N 0.609 123.514 122.820 0.142 0.000 2.609 1045 A HA 0.744 5.066 4.320 0.003 0.000 0.291 1045 A C 0.230 177.815 177.584 0.003 0.000 1.096 1045 A CA -0.150 51.940 52.037 0.089 0.000 0.684 1045 A CB 0.775 19.829 19.000 0.091 0.000 1.282 1045 A HN 0.998 nan 8.150 nan 0.000 0.412 1046 A N -0.108 122.652 122.820 -0.101 0.000 1.908 1046 A HA 0.306 4.627 4.320 0.003 0.000 0.218 1046 A C 0.388 177.594 177.584 -0.629 0.000 1.181 1046 A CA 1.640 53.412 52.037 -0.442 0.000 0.627 1046 A CB -0.519 18.189 19.000 -0.487 0.000 0.818 1046 A HN 0.812 nan 8.150 nan 0.000 0.445 1047 F N -2.791 117.235 119.950 0.126 0.000 2.593 1047 F HA 0.423 4.952 4.527 0.003 0.000 0.320 1047 F C 1.217 177.130 175.800 0.188 0.000 1.060 1047 F CA -0.435 57.690 58.000 0.208 0.000 0.940 1047 F CB 1.680 40.759 39.000 0.132 0.000 1.268 1047 F HN -0.076 nan 8.300 nan 0.000 0.475 1048 V N -0.966 119.172 119.914 0.374 0.000 2.626 1048 V HA -0.126 3.996 4.120 0.003 0.000 0.252 1048 V C 1.300 177.471 176.094 0.129 0.000 1.067 1048 V CA 1.599 64.008 62.300 0.181 0.000 1.081 1048 V CB -0.783 31.092 31.823 0.087 0.000 0.686 1048 V HN 0.805 nan 8.190 nan 0.000 0.468 1049 K N 0.157 120.653 120.400 0.159 0.000 2.393 1049 K HA 0.212 4.533 4.320 0.003 0.000 0.193 1049 K C 1.167 177.832 176.600 0.109 0.000 1.026 1049 K CA -0.224 56.120 56.287 0.095 0.000 1.064 1049 K CB 0.229 32.760 32.500 0.052 0.000 0.833 1049 K HN 0.477 nan 8.250 nan 0.000 0.521 1050 R N 1.216 121.825 120.500 0.181 0.000 2.459 1050 R HA 0.307 4.649 4.340 0.003 0.000 0.281 1050 R C -0.652 175.725 176.300 0.128 0.000 1.050 1050 R CA -0.269 55.937 56.100 0.177 0.000 1.055 1050 R CB 0.815 31.289 30.300 0.291 0.000 1.045 1050 R HN -0.004 nan 8.270 nan 0.000 0.495 1051 A N 5.482 128.370 122.820 0.114 0.000 2.511 1051 A HA 0.224 4.545 4.320 0.003 0.000 0.242 1051 A C -2.100 175.556 177.584 0.121 0.000 1.069 1051 A CA -1.057 51.047 52.037 0.111 0.000 0.763 1051 A CB -0.210 18.859 19.000 0.114 0.000 1.001 1051 A HN 0.559 nan 8.150 nan 0.000 0.498 1052 P HA 0.087 nan 4.420 nan 0.000 0.265 1052 P C -0.223 177.210 177.300 0.221 0.000 1.193 1052 P CA 0.278 63.424 63.100 0.077 0.000 0.765 1052 P CB 0.731 32.399 31.700 -0.054 0.000 0.823 1053 S N 1.907 117.730 115.700 0.206 0.000 2.457 1053 S HA 0.204 4.676 4.470 0.003 0.000 0.289 1053 S C 1.301 176.129 174.600 0.381 0.000 1.163 1053 S CA -0.343 58.021 58.200 0.273 0.000 1.078 1053 S CB 0.039 63.379 63.200 0.233 0.000 0.987 1053 S HN 0.358 nan 8.310 nan 0.000 0.482 1054 T N 4.559 119.361 114.554 0.413 0.000 2.708 1054 T HA -0.128 4.224 4.350 0.003 0.000 0.266 1054 T C 1.216 176.132 174.700 0.362 0.000 1.037 1054 T CA 1.712 64.064 62.100 0.420 0.000 1.146 1054 T CB -0.440 68.602 68.868 0.289 0.000 0.865 1054 T HN 0.883 nan 8.240 nan 0.000 0.435 1055 W N 1.416 122.809 121.300 0.156 0.000 2.355 1055 W HA -0.065 4.597 4.660 0.003 0.000 0.309 1055 W C 1.981 178.607 176.519 0.178 0.000 1.206 1055 W CA 0.577 57.995 57.345 0.121 0.000 1.284 1055 W CB -0.566 28.847 29.460 -0.078 0.000 1.145 1055 W HN 0.128 nan 8.180 nan 0.000 0.502 1056 L N 0.758 122.267 121.223 0.476 0.000 2.012 1056 L HA -0.201 4.141 4.340 0.003 0.000 0.210 1056 L C 2.294 179.188 176.870 0.040 0.000 1.073 1056 L CA 2.866 57.873 54.840 0.279 0.000 0.748 1056 L CB -1.403 40.830 42.059 0.290 0.000 0.891 1056 L HN -0.035 nan 8.230 nan 0.000 0.431 1057 T N -0.116 114.519 114.554 0.135 0.000 2.746 1057 T HA -0.145 4.207 4.350 0.003 0.000 0.267 1057 T C 1.888 176.574 174.700 -0.023 0.000 1.039 1057 T CA 1.328 63.502 62.100 0.125 0.000 1.142 1057 T CB -0.549 68.481 68.868 0.271 0.000 0.866 1057 T HN 0.530 nan 8.240 nan 0.000 0.444 1058 A N 0.274 123.085 122.820 -0.016 0.000 1.930 1058 A HA -0.062 4.260 4.320 0.003 0.000 0.217 1058 A C 2.088 179.496 177.584 -0.293 0.000 1.175 1058 A CA 1.248 53.199 52.037 -0.144 0.000 0.627 1058 A CB -0.858 18.086 19.000 -0.094 0.000 0.815 1058 A HN 0.563 nan 8.150 nan 0.000 0.443 1059 Y N 0.445 120.458 120.300 -0.479 0.000 2.220 1059 Y HA -0.110 4.442 4.550 0.003 0.000 0.291 1059 Y C 2.340 177.930 175.900 -0.518 0.000 1.129 1059 Y CA 1.498 59.251 58.100 -0.578 0.000 1.161 1059 Y CB -0.296 37.624 38.460 -0.899 0.000 0.997 1059 Y HN 0.061 nan 8.280 nan 0.000 0.522 1060 V N -0.916 118.653 119.914 -0.574 0.000 2.332 1060 V HA -0.328 3.794 4.120 0.003 0.000 0.248 1060 V C 2.333 177.932 176.094 -0.825 0.000 1.055 1060 V CA 1.850 63.601 62.300 -0.914 0.000 1.038 1060 V CB -0.932 30.111 31.823 -1.300 0.000 0.651 1060 V HN 0.315 nan 8.190 nan 0.000 0.450 1061 V N -0.271 119.333 119.914 -0.515 0.000 2.427 1061 V HA -0.269 3.852 4.120 0.003 0.000 0.248 1061 V C 2.399 178.337 176.094 -0.260 0.000 1.051 1061 V CA 2.247 64.371 62.300 -0.293 0.000 1.048 1061 V CB -0.646 31.065 31.823 -0.187 0.000 0.666 1061 V HN 0.559 nan 8.190 nan 0.000 0.456 1062 K N -0.049 120.111 120.400 -0.400 0.000 2.026 1062 K HA -0.144 4.178 4.320 0.003 0.000 0.208 1062 K C 2.049 178.466 176.600 -0.304 0.000 1.048 1062 K CA 1.659 57.719 56.287 -0.379 0.000 0.929 1062 K CB -0.108 32.063 32.500 -0.548 0.000 0.713 1062 K HN 0.336 nan 8.250 nan 0.000 0.439 1063 V N 0.812 120.424 119.914 -0.504 0.000 2.323 1063 V HA -0.182 3.939 4.120 0.003 0.000 0.244 1063 V C 2.141 178.297 176.094 0.103 0.000 1.041 1063 V CA 1.388 63.541 62.300 -0.245 0.000 1.025 1063 V CB -0.558 31.022 31.823 -0.404 0.000 0.656 1063 V HN 0.209 nan 8.190 nan 0.000 0.451 1064 F N 1.105 120.936 119.950 -0.198 0.000 2.171 1064 F HA -0.136 4.393 4.527 0.003 0.000 0.300 1064 F C 2.717 178.462 175.800 -0.092 0.000 1.090 1064 F CA 1.456 59.389 58.000 -0.110 0.000 1.293 1064 F CB -1.227 37.729 39.000 -0.073 0.000 1.013 1064 F HN 0.078 nan 8.300 nan 0.000 0.486 1065 S N 0.021 115.782 115.700 0.102 0.000 2.399 1065 S HA -0.148 4.324 4.470 0.003 0.000 0.231 1065 S C 2.119 176.726 174.600 0.013 0.000 1.022 1065 S CA 0.792 59.013 58.200 0.035 0.000 0.983 1065 S CB -0.481 62.719 63.200 0.001 0.000 0.803 1065 S HN 0.379 nan 8.310 nan 0.000 0.480 1066 L N 0.549 121.784 121.223 0.021 0.000 2.418 1066 L HA 0.194 4.536 4.340 0.003 0.000 0.218 1066 L C 1.930 178.790 176.870 -0.017 0.000 1.125 1066 L CA 0.582 55.413 54.840 -0.015 0.000 0.835 1066 L CB -0.239 41.805 42.059 -0.025 0.000 0.953 1066 L HN 0.302 nan 8.230 nan 0.000 0.454 1067 A N -1.026 121.782 122.820 -0.020 0.000 2.275 1067 A HA 0.069 4.391 4.320 0.003 0.000 0.212 1067 A C 1.966 179.481 177.584 -0.114 0.000 1.201 1067 A CA 0.687 52.683 52.037 -0.069 0.000 0.843 1067 A CB -0.523 18.399 19.000 -0.129 0.000 0.873 1067 A HN 0.347 nan 8.150 nan 0.000 0.492 1068 V N -1.862 117.999 119.914 -0.088 0.000 2.720 1068 V HA -0.167 3.954 4.120 0.003 0.000 0.256 1068 V C 1.455 177.505 176.094 -0.073 0.000 1.082 1068 V CA 2.114 64.355 62.300 -0.099 0.000 1.101 1068 V CB -0.906 30.882 31.823 -0.058 0.000 0.693 1068 V HN 0.474 nan 8.190 nan 0.000 0.479 1069 N N 0.398 119.075 118.700 -0.038 0.000 2.416 1069 N HA 0.182 4.924 4.740 0.003 0.000 0.177 1069 N C 1.603 177.093 175.510 -0.033 0.000 1.036 1069 N CA 1.287 54.325 53.050 -0.020 0.000 0.901 1069 N CB 0.211 38.712 38.487 0.024 0.000 0.976 1069 N HN 0.513 nan 8.380 nan 0.000 0.444 1070 L N 0.126 121.320 121.223 -0.048 0.000 2.262 1070 L HA 0.321 4.662 4.340 0.003 0.000 0.197 1070 L C 1.196 178.006 176.870 -0.099 0.000 1.073 1070 L CA 0.475 55.280 54.840 -0.058 0.000 0.800 1070 L CB -0.060 41.978 42.059 -0.035 0.000 0.987 1070 L HN 0.029 nan 8.230 nan 0.000 0.470 1071 I N -3.171 117.310 120.570 -0.148 0.000 3.294 1071 I HA 0.721 4.893 4.170 0.003 0.000 0.311 1071 I C -0.456 175.516 176.117 -0.242 0.000 1.111 1071 I CA -1.228 59.957 61.300 -0.191 0.000 0.976 1071 I CB 1.904 39.763 38.000 -0.235 0.000 1.260 1071 I HN -0.186 nan 8.210 nan 0.000 0.474 1072 A N 3.623 126.292 122.820 -0.253 0.000 2.347 1072 A HA 0.593 4.914 4.320 0.003 0.000 0.287 1072 A C -0.373 176.949 177.584 -0.437 0.000 1.199 1072 A CA -0.225 51.665 52.037 -0.245 0.000 0.851 1072 A CB -0.315 18.597 19.000 -0.145 0.000 1.118 1072 A HN 0.479 nan 8.150 nan 0.000 0.525 1073 I N 2.774 123.124 120.570 -0.367 0.000 2.362 1073 I HA 0.188 4.360 4.170 0.003 0.000 0.289 1073 I C -0.125 175.932 176.117 -0.099 0.000 0.994 1073 I CA -0.652 60.398 61.300 -0.417 0.000 1.158 1073 I CB 1.461 39.262 38.000 -0.331 0.000 1.315 1073 I HN 0.619 nan 8.210 nan 0.000 0.451 1074 D N 3.963 124.403 120.400 0.067 0.000 2.401 1074 D HA 0.082 4.724 4.640 0.003 0.000 0.254 1074 D C 1.051 177.428 176.300 0.128 0.000 1.192 1074 D CA 0.406 54.482 54.000 0.127 0.000 0.885 1074 D CB 1.177 42.098 40.800 0.202 0.000 1.147 1074 D HN 0.428 nan 8.370 nan 0.000 0.478 1075 S N 3.141 118.889 115.700 0.080 0.000 2.368 1075 S HA -0.183 4.288 4.470 0.003 0.000 0.225 1075 S C 1.755 176.411 174.600 0.093 0.000 1.030 1075 S CA 0.735 58.981 58.200 0.076 0.000 0.999 1075 S CB -0.070 63.159 63.200 0.048 0.000 0.844 1075 S HN 0.591 nan 8.310 nan 0.000 0.459 1076 Q N 0.765 120.618 119.800 0.089 0.000 2.135 1076 Q HA -0.070 4.272 4.340 0.003 0.000 0.204 1076 Q C 2.440 178.504 176.000 0.108 0.000 0.981 1076 Q CA 1.110 56.963 55.803 0.084 0.000 0.856 1076 Q CB -0.868 27.911 28.738 0.068 0.000 0.902 1076 Q HN 0.467 nan 8.270 nan 0.000 0.425 1077 V N 0.900 120.907 119.914 0.155 0.000 2.323 1077 V HA -0.211 3.911 4.120 0.003 0.000 0.244 1077 V C 2.298 178.530 176.094 0.230 0.000 1.041 1077 V CA 1.310 63.736 62.300 0.210 0.000 1.025 1077 V CB -0.610 31.406 31.823 0.323 0.000 0.656 1077 V HN 0.195 nan 8.190 nan 0.000 0.451 1078 L N -0.020 121.342 121.223 0.232 0.000 2.005 1078 L HA -0.142 4.199 4.340 0.003 0.000 0.207 1078 L C 2.410 179.355 176.870 0.126 0.000 1.072 1078 L CA 2.208 57.161 54.840 0.188 0.000 0.744 1078 L CB -0.869 41.296 42.059 0.176 0.000 0.895 1078 L HN 0.369 nan 8.230 nan 0.000 0.433 1079 c N -0.105 118.559 118.600 0.107 0.000 2.435 1079 c HA -0.006 4.565 4.570 0.003 0.000 0.279 1079 c C 2.763 176.914 174.090 0.101 0.000 1.321 1079 c CA 0.429 56.810 56.329 0.087 0.000 1.752 1079 c CB -1.965 40.587 42.510 0.070 0.000 1.959 1079 c HN 0.758 nan 8.230 nan 0.000 0.500 1080 G N 0.632 109.496 108.800 0.105 0.000 2.440 1080 G HA2 -0.071 3.890 3.960 0.003 0.000 0.218 1080 G HA3 -0.071 3.890 3.960 0.003 0.000 0.218 1080 G C 1.863 176.848 174.900 0.142 0.000 1.154 1080 G CA 1.061 46.224 45.100 0.103 0.000 0.767 1080 G HN 0.609 nan 8.290 nan 0.000 0.552 1081 A N -0.009 122.901 122.820 0.151 0.000 1.930 1081 A HA 0.143 4.465 4.320 0.003 0.000 0.217 1081 A C 2.590 180.325 177.584 0.252 0.000 1.175 1081 A CA 1.651 53.810 52.037 0.202 0.000 0.627 1081 A CB -0.508 18.625 19.000 0.223 0.000 0.815 1081 A HN 0.242 nan 8.150 nan 0.000 0.443 1082 V N 0.106 120.117 119.914 0.162 0.000 2.343 1082 V HA -0.250 3.872 4.120 0.003 0.000 0.247 1082 V C 2.510 178.696 176.094 0.153 0.000 1.051 1082 V CA 2.362 64.738 62.300 0.125 0.000 1.036 1082 V CB -0.567 31.300 31.823 0.073 0.000 0.654 1082 V HN 0.641 nan 8.190 nan 0.000 0.451 1083 K N -1.494 118.999 120.400 0.155 0.000 2.211 1083 K HA -0.237 4.085 4.320 0.003 0.000 0.203 1083 K C 1.955 178.661 176.600 0.176 0.000 1.050 1083 K CA 1.584 57.954 56.287 0.138 0.000 0.945 1083 K CB -0.196 32.373 32.500 0.115 0.000 0.732 1083 K HN 0.624 nan 8.250 nan 0.000 0.451 1084 W N 0.985 122.315 121.300 0.051 0.000 2.409 1084 W HA -0.086 4.576 4.660 0.003 0.000 0.299 1084 W C 1.228 177.799 176.519 0.085 0.000 1.203 1084 W CA 0.926 58.303 57.345 0.053 0.000 1.298 1084 W CB -0.107 29.376 29.460 0.037 0.000 1.127 1084 W HN -0.055 nan 8.180 nan 0.000 0.528 1085 L N 0.327 121.654 121.223 0.173 0.000 2.131 1085 L HA -0.218 4.124 4.340 0.003 0.000 0.210 1085 L C 2.301 179.242 176.870 0.119 0.000 1.092 1085 L CA 1.289 56.148 54.840 0.033 0.000 0.759 1085 L CB -0.589 41.552 42.059 0.137 0.000 0.903 1085 L HN 0.047 nan 8.230 nan 0.000 0.435 1086 I N -0.814 119.828 120.570 0.120 0.000 2.333 1086 I HA -0.216 3.956 4.170 0.003 0.000 0.246 1086 I C 1.948 178.032 176.117 -0.055 0.000 1.106 1086 I CA 1.053 62.408 61.300 0.093 0.000 1.411 1086 I CB -0.008 38.046 38.000 0.090 0.000 1.082 1086 I HN 0.181 nan 8.210 nan 0.000 0.420 1087 L N -0.084 121.090 121.223 -0.081 0.000 2.567 1087 L HA 0.082 4.424 4.340 0.003 0.000 0.225 1087 L C 1.755 178.515 176.870 -0.182 0.000 1.119 1087 L CA 0.411 55.189 54.840 -0.103 0.000 0.871 1087 L CB -0.070 41.962 42.059 -0.045 0.000 1.036 1087 L HN 0.211 nan 8.230 nan 0.000 0.459 1088 E N -0.731 119.270 120.200 -0.331 0.000 2.467 1088 E HA 0.104 4.455 4.350 0.003 0.000 0.213 1088 E C 1.014 177.366 176.600 -0.413 0.000 0.823 1088 E CA 0.221 56.360 56.400 -0.434 0.000 1.233 1088 E CB 0.711 29.947 29.700 -0.773 0.000 1.233 1088 E HN 0.109 nan 8.360 nan 0.000 0.585 1089 K N 0.672 120.840 120.400 -0.385 0.000 2.438 1089 K HA 0.229 4.551 4.320 0.003 0.000 0.206 1089 K C 0.277 176.806 176.600 -0.118 0.000 1.081 1089 K CA -0.010 56.149 56.287 -0.212 0.000 1.053 1089 K CB 1.573 33.957 32.500 -0.193 0.000 0.908 1089 K HN 0.047 nan 8.250 nan 0.000 0.556 1090 Q N 1.393 121.030 119.800 -0.272 0.000 2.282 1090 Q HA 0.209 4.551 4.340 0.003 0.000 0.260 1090 Q C -0.724 175.056 176.000 -0.366 0.000 0.964 1090 Q CA -0.618 54.849 55.803 -0.560 0.000 0.880 1090 Q CB 1.138 29.395 28.738 -0.802 0.000 1.286 1090 Q HN -0.248 nan 8.270 nan 0.000 0.445 1091 K N 3.443 123.623 120.400 -0.366 0.000 2.090 1091 K HA 0.287 4.609 4.320 0.003 0.000 0.249 1091 K C -1.923 174.538 176.600 -0.231 0.000 0.995 1091 K CA -2.250 53.885 56.287 -0.252 0.000 0.914 1091 K CB 0.402 32.764 32.500 -0.230 0.000 1.057 1091 K HN 0.405 nan 8.250 nan 0.000 0.462 1092 P HA -0.200 nan 4.420 nan 0.000 0.216 1092 P C 0.471 177.701 177.300 -0.118 0.000 1.150 1092 P CA 1.474 64.501 63.100 -0.122 0.000 0.843 1092 P CB 0.161 31.809 31.700 -0.087 0.000 0.787 1093 D N -1.913 118.406 120.400 -0.134 0.000 2.347 1093 D HA 0.019 4.660 4.640 0.003 0.000 0.215 1093 D C 1.395 177.616 176.300 -0.131 0.000 0.976 1093 D CA 1.070 55.009 54.000 -0.101 0.000 0.884 1093 D CB -0.941 39.805 40.800 -0.091 0.000 0.915 1093 D HN 0.268 nan 8.370 nan 0.000 0.526 1094 G N -0.698 107.962 108.800 -0.233 0.000 2.148 1094 G HA2 -0.192 3.770 3.960 0.003 0.000 0.203 1094 G HA3 -0.192 3.770 3.960 0.003 0.000 0.203 1094 G C -0.075 174.573 174.900 -0.419 0.000 0.993 1094 G CA 0.035 44.977 45.100 -0.264 0.000 0.661 1094 G HN 0.358 nan 8.290 nan 0.000 0.518 1095 V N 1.123 120.703 119.914 -0.557 0.000 2.481 1095 V HA 0.672 4.794 4.120 0.003 0.000 0.286 1095 V C 0.348 176.165 176.094 -0.461 0.000 1.042 1095 V CA -0.653 61.283 62.300 -0.607 0.000 0.928 1095 V CB 1.132 32.480 31.823 -0.790 0.000 0.986 1095 V HN 0.196 nan 8.190 nan 0.000 0.462 1096 F N 3.228 123.092 119.950 -0.142 0.000 2.410 1096 F HA 0.484 5.012 4.527 0.003 0.000 0.348 1096 F C 0.424 176.193 175.800 -0.051 0.000 1.106 1096 F CA 0.024 57.980 58.000 -0.072 0.000 1.163 1096 F CB 1.139 40.138 39.000 -0.001 0.000 1.129 1096 F HN 0.466 nan 8.300 nan 0.000 0.516 1097 Q N 2.464 122.336 119.800 0.119 0.000 2.337 1097 Q HA 0.360 4.702 4.340 0.003 0.000 0.266 1097 Q C -1.307 174.754 176.000 0.103 0.000 1.023 1097 Q CA -1.017 54.827 55.803 0.068 0.000 0.829 1097 Q CB 1.862 30.596 28.738 -0.006 0.000 1.306 1097 Q HN 0.587 nan 8.270 nan 0.000 0.449 1098 E N 2.354 122.616 120.200 0.104 0.000 2.146 1098 E HA 0.142 4.494 4.350 0.003 0.000 0.282 1098 E C -0.835 175.818 176.600 0.089 0.000 0.989 1098 E CA -0.090 56.383 56.400 0.120 0.000 0.799 1098 E CB 1.023 30.795 29.700 0.119 0.000 1.088 1098 E HN 0.604 nan 8.360 nan 0.000 0.397 1099 D N 3.170 123.634 120.400 0.106 0.000 2.417 1099 D HA 0.200 4.842 4.640 0.003 0.000 0.207 1099 D C -0.479 175.878 176.300 0.095 0.000 1.075 1099 D CA 0.284 54.336 54.000 0.087 0.000 0.851 1099 D CB 0.755 41.608 40.800 0.087 0.000 0.976 1099 D HN 0.348 nan 8.370 nan 0.000 0.505 1100 A N 1.718 124.610 122.820 0.119 0.000 2.745 1100 A HA 0.516 4.837 4.320 0.003 0.000 0.301 1100 A C -2.784 174.859 177.584 0.099 0.000 1.188 1100 A CA -1.167 50.934 52.037 0.108 0.000 0.746 1100 A CB 1.129 20.207 19.000 0.130 0.000 1.207 1100 A HN -0.216 nan 8.150 nan 0.000 0.432 1101 P HA 0.238 nan 4.420 nan 0.000 0.268 1101 P C 0.533 177.840 177.300 0.011 0.000 1.208 1101 P CA -0.035 63.072 63.100 0.012 0.000 0.777 1101 P CB 0.684 32.369 31.700 -0.025 0.000 0.875 1102 V N 0.779 120.673 119.914 -0.032 0.000 2.881 1102 V HA 0.161 4.282 4.120 0.003 0.000 0.303 1102 V C 1.470 177.532 176.094 -0.054 0.000 1.070 1102 V CA -0.007 62.279 62.300 -0.024 0.000 1.074 1102 V CB -0.045 31.747 31.823 -0.051 0.000 1.012 1102 V HN 0.439 nan 8.190 nan 0.000 0.482 1103 I N 0.655 121.204 120.570 -0.035 0.000 2.315 1103 I HA -0.075 4.097 4.170 0.003 0.000 0.248 1103 I C 1.268 177.270 176.117 -0.191 0.000 1.117 1103 I CA 1.046 62.288 61.300 -0.097 0.000 1.404 1103 I CB -0.429 37.509 38.000 -0.103 0.000 1.071 1103 I HN 0.702 nan 8.210 nan 0.000 0.419 1104 H N 3.302 122.314 119.070 -0.097 0.000 2.923 1104 H HA 0.123 4.680 4.556 0.003 0.000 0.251 1104 H C 0.771 175.970 175.328 -0.214 0.000 1.741 1104 H CA -0.064 55.909 56.048 -0.126 0.000 1.387 1104 H CB 0.470 30.153 29.762 -0.132 0.000 1.740 1104 H HN 0.334 nan 8.280 nan 0.000 0.544 1105 Q N 1.204 120.930 119.800 -0.123 0.000 2.439 1105 Q HA -0.125 4.216 4.340 0.003 0.000 0.211 1105 Q C 1.788 177.662 176.000 -0.211 0.000 0.978 1105 Q CA 0.726 56.410 55.803 -0.198 0.000 0.897 1105 Q CB 0.275 28.931 28.738 -0.138 0.000 0.956 1105 Q HN 0.736 nan 8.270 nan 0.000 0.483 1106 E N 0.046 120.147 120.200 -0.164 0.000 2.435 1106 E HA -0.123 4.229 4.350 0.003 0.000 0.195 1106 E C 1.642 178.102 176.600 -0.234 0.000 1.029 1106 E CA 0.411 56.691 56.400 -0.199 0.000 0.865 1106 E CB -0.280 29.184 29.700 -0.393 0.000 0.833 1106 E HN 0.501 nan 8.360 nan 0.000 0.510 1107 M N 0.240 119.675 119.600 -0.275 0.000 2.561 1107 M HA 0.242 4.724 4.480 0.003 0.000 0.238 1107 M C 1.868 177.926 176.300 -0.403 0.000 1.131 1107 M CA 0.567 55.705 55.300 -0.271 0.000 1.046 1107 M CB -0.432 32.033 32.600 -0.226 0.000 1.532 1107 M HN 0.096 nan 8.290 nan 0.000 0.497 1108 I N -2.578 117.616 120.570 -0.627 0.000 3.883 1108 I HA 0.518 4.690 4.170 0.003 0.000 0.326 1108 I C 1.164 177.078 176.117 -0.337 0.000 1.283 1108 I CA 0.207 60.989 61.300 -0.863 0.000 1.161 1108 I CB -0.601 36.609 38.000 -1.316 0.000 1.012 1108 I HN 0.447 nan 8.210 nan 0.000 0.421 1109 G N 2.106 110.800 108.800 -0.176 0.000 2.565 1109 G HA2 -0.376 3.585 3.960 0.003 0.000 0.295 1109 G HA3 -0.376 3.585 3.960 0.003 0.000 0.295 1109 G C 0.905 175.481 174.900 -0.539 0.000 1.165 1109 G CA 0.312 45.391 45.100 -0.036 0.000 0.977 1109 G HN 0.552 nan 8.290 nan 0.000 0.546 1110 G N -0.650 107.704 108.800 -0.744 0.000 2.572 1110 G HA2 0.252 4.214 3.960 0.003 0.000 0.216 1110 G HA3 0.252 4.214 3.960 0.003 0.000 0.216 1110 G C 1.712 175.896 174.900 -1.193 0.000 1.133 1110 G CA 1.335 45.407 45.100 -1.713 0.000 0.791 1110 G HN 0.664 nan 8.290 nan 0.000 0.538 1111 L N 0.229 121.098 121.223 -0.590 0.000 2.450 1111 L HA 0.082 4.423 4.340 0.003 0.000 0.224 1111 L C 2.616 179.269 176.870 -0.362 0.000 1.149 1111 L CA 0.925 55.570 54.840 -0.325 0.000 0.816 1111 L CB -0.372 41.543 42.059 -0.241 0.000 0.932 1111 L HN 0.194 nan 8.230 nan 0.000 0.449 1112 R N -0.322 119.898 120.500 -0.467 0.000 2.148 1112 R HA -0.048 4.294 4.340 0.003 0.000 0.223 1112 R C 0.492 176.643 176.300 -0.249 0.000 1.088 1112 R CA 0.491 56.392 56.100 -0.332 0.000 0.985 1112 R CB 0.038 30.165 30.300 -0.289 0.000 0.880 1112 R HN 0.290 nan 8.270 nan 0.000 0.451 1113 N N 1.825 120.339 118.700 -0.309 0.000 3.243 1113 N HA 0.040 4.781 4.740 0.003 0.000 0.310 1113 N C -0.699 174.739 175.510 -0.120 0.000 1.313 1113 N CA 0.079 53.020 53.050 -0.183 0.000 1.204 1113 N CB -0.396 37.978 38.487 -0.187 0.000 1.483 1113 N HN 0.245 nan 8.380 nan 0.000 0.553 1114 N N 1.023 119.664 118.700 -0.097 0.000 1.067 1114 N HA -0.346 4.396 4.740 0.003 0.000 0.125 1114 N C -0.703 174.787 175.510 -0.034 0.000 0.596 1114 N CA 1.496 54.513 53.050 -0.055 0.000 0.839 1114 N CB -0.468 37.997 38.487 -0.036 0.000 1.300 1114 N HN 0.409 nan 8.380 nan 0.000 0.629 1115 N N 2.478 121.170 118.700 -0.013 0.000 3.326 1115 N HA -0.209 4.532 4.740 0.003 0.000 0.297 1115 N C -0.691 174.831 175.510 0.021 0.000 1.752 1115 N CA 1.748 54.800 53.050 0.003 0.000 2.285 1115 N CB -0.622 37.864 38.487 -0.001 0.000 0.764 1115 N HN 0.705 nan 8.380 nan 0.000 0.692 1116 E N -1.001 119.220 120.200 0.035 0.000 2.199 1116 E HA -0.377 3.975 4.350 0.003 0.000 0.208 1116 E C 0.714 177.364 176.600 0.084 0.000 1.310 1116 E CA 1.663 58.100 56.400 0.061 0.000 0.709 1116 E CB -1.296 28.430 29.700 0.043 0.000 1.127 1116 E HN 0.883 nan 8.360 nan 0.000 0.354 1117 K N 0.199 120.643 120.400 0.073 0.000 2.155 1117 K HA -0.139 4.183 4.320 0.003 0.000 0.203 1117 K C 1.150 177.824 176.600 0.124 0.000 1.052 1117 K CA 1.306 57.638 56.287 0.074 0.000 0.948 1117 K CB 0.160 32.682 32.500 0.037 0.000 0.728 1117 K HN 0.052 nan 8.250 nan 0.000 0.448 1118 D N 0.962 121.453 120.400 0.151 0.000 2.117 1118 D HA -0.108 4.534 4.640 0.003 0.000 0.197 1118 D C 2.002 178.507 176.300 0.341 0.000 0.987 1118 D CA 1.190 55.309 54.000 0.200 0.000 0.829 1118 D CB -0.046 40.877 40.800 0.204 0.000 0.961 1118 D HN 0.212 nan 8.370 nan 0.000 0.460 1119 M N 0.399 120.203 119.600 0.340 0.000 2.132 1119 M HA -0.028 4.454 4.480 0.003 0.000 0.263 1119 M C 2.265 178.701 176.300 0.227 0.000 1.065 1119 M CA 0.749 56.228 55.300 0.299 0.000 1.122 1119 M CB -0.906 31.773 32.600 0.131 0.000 1.365 1119 M HN -0.033 nan 8.290 nan 0.000 0.411 1120 A N 0.106 123.040 122.820 0.190 0.000 1.855 1120 A HA -0.132 4.190 4.320 0.003 0.000 0.215 1120 A C 2.185 179.907 177.584 0.229 0.000 1.191 1120 A CA 1.236 53.386 52.037 0.188 0.000 0.613 1120 A CB -0.909 18.208 19.000 0.195 0.000 0.829 1120 A HN 0.396 nan 8.150 nan 0.000 0.442 1121 L N -0.232 121.126 121.223 0.225 0.000 2.056 1121 L HA -0.086 4.255 4.340 0.003 0.000 0.207 1121 L C 2.440 179.491 176.870 0.303 0.000 1.078 1121 L CA 2.737 57.737 54.840 0.266 0.000 0.749 1121 L CB -1.042 41.146 42.059 0.215 0.000 0.901 1121 L HN 0.365 nan 8.230 nan 0.000 0.433 1122 T N -0.177 114.559 114.554 0.303 0.000 2.746 1122 T HA -0.153 4.199 4.350 0.003 0.000 0.267 1122 T C 1.886 176.754 174.700 0.280 0.000 1.039 1122 T CA 1.327 63.650 62.100 0.371 0.000 1.142 1122 T CB -0.454 68.638 68.868 0.373 0.000 0.866 1122 T HN 0.526 nan 8.240 nan 0.000 0.444 1123 A N 0.891 123.847 122.820 0.227 0.000 1.898 1123 A HA 0.006 4.328 4.320 0.003 0.000 0.216 1123 A C 2.005 179.646 177.584 0.095 0.000 1.181 1123 A CA 1.263 53.376 52.037 0.127 0.000 0.620 1123 A CB -0.947 18.100 19.000 0.079 0.000 0.819 1123 A HN 0.494 nan 8.150 nan 0.000 0.442 1124 F N 0.874 120.836 119.950 0.019 0.000 2.069 1124 F HA -0.182 4.347 4.527 0.003 0.000 0.298 1124 F C 2.232 177.994 175.800 -0.063 0.000 1.113 1124 F CA 2.206 60.218 58.000 0.021 0.000 1.214 1124 F CB -0.369 38.703 39.000 0.120 0.000 0.978 1124 F HN 0.027 nan 8.300 nan 0.000 0.474 1125 V N 0.578 120.468 119.914 -0.041 0.000 2.343 1125 V HA -0.278 3.843 4.120 0.003 0.000 0.247 1125 V C 2.343 178.195 176.094 -0.403 0.000 1.051 1125 V CA 1.706 63.778 62.300 -0.380 0.000 1.036 1125 V CB -0.903 30.470 31.823 -0.751 0.000 0.654 1125 V HN 0.468 nan 8.190 nan 0.000 0.451 1126 L N 0.146 121.244 121.223 -0.207 0.000 2.012 1126 L HA -0.151 4.191 4.340 0.003 0.000 0.210 1126 L C 2.189 178.974 176.870 -0.141 0.000 1.073 1126 L CA 1.895 56.681 54.840 -0.090 0.000 0.748 1126 L CB -0.587 41.491 42.059 0.033 0.000 0.891 1126 L HN 0.231 nan 8.230 nan 0.000 0.431 1127 I N -1.005 119.466 120.570 -0.164 0.000 2.208 1127 I HA -0.330 3.842 4.170 0.003 0.000 0.245 1127 I C 2.347 178.359 176.117 -0.175 0.000 1.097 1127 I CA 1.483 62.693 61.300 -0.149 0.000 1.363 1127 I CB -0.478 37.502 38.000 -0.034 0.000 1.051 1127 I HN 0.247 nan 8.210 nan 0.000 0.413 1128 S N 0.839 116.359 115.700 -0.299 0.000 2.382 1128 S HA -0.090 4.381 4.470 0.003 0.000 0.228 1128 S C 1.986 176.474 174.600 -0.187 0.000 1.027 1128 S CA 1.140 59.163 58.200 -0.294 0.000 0.991 1128 S CB -0.299 62.639 63.200 -0.436 0.000 0.823 1128 S HN 0.351 nan 8.310 nan 0.000 0.469 1129 L N 1.341 122.460 121.223 -0.174 0.000 2.056 1129 L HA -0.135 4.206 4.340 0.003 0.000 0.207 1129 L C 2.696 179.524 176.870 -0.069 0.000 1.078 1129 L CA 1.147 55.926 54.840 -0.101 0.000 0.749 1129 L CB -0.603 41.413 42.059 -0.070 0.000 0.901 1129 L HN 0.376 nan 8.230 nan 0.000 0.433 1130 Q N -0.212 119.538 119.800 -0.083 0.000 2.167 1130 Q HA -0.244 4.098 4.340 0.003 0.000 0.202 1130 Q C 1.934 177.901 176.000 -0.056 0.000 0.970 1130 Q CA 1.340 57.100 55.803 -0.073 0.000 0.855 1130 Q CB -0.047 28.627 28.738 -0.108 0.000 0.911 1130 Q HN 0.529 nan 8.270 nan 0.000 0.438 1131 E N 0.537 120.704 120.200 -0.056 0.000 2.274 1131 E HA -0.067 4.285 4.350 0.003 0.000 0.194 1131 E C 1.354 177.939 176.600 -0.025 0.000 0.996 1131 E CA 0.755 57.138 56.400 -0.030 0.000 0.840 1131 E CB 0.127 29.815 29.700 -0.020 0.000 0.772 1131 E HN 0.294 nan 8.360 nan 0.000 0.491 1132 A N 0.567 123.367 122.820 -0.034 0.000 2.308 1132 A HA 0.089 4.411 4.320 0.003 0.000 0.217 1132 A C 1.813 179.392 177.584 -0.008 0.000 1.216 1132 A CA 0.071 52.098 52.037 -0.017 0.000 0.864 1132 A CB -0.145 18.843 19.000 -0.021 0.000 0.902 1132 A HN 0.127 nan 8.150 nan 0.000 0.499 1133 K N 0.634 121.025 120.400 -0.015 0.000 2.009 1133 K HA -0.226 4.096 4.320 0.003 0.000 0.210 1133 K C 0.815 177.413 176.600 -0.004 0.000 1.049 1133 K CA 1.952 58.234 56.287 -0.009 0.000 0.929 1133 K CB -0.213 32.277 32.500 -0.018 0.000 0.714 1133 K HN 0.294 nan 8.250 nan 0.000 0.440 1134 D N 0.317 120.714 120.400 -0.005 0.000 2.311 1134 D HA -0.125 4.517 4.640 0.003 0.000 0.212 1134 D C 1.678 177.979 176.300 0.002 0.000 0.972 1134 D CA 1.014 55.012 54.000 -0.002 0.000 0.887 1134 D CB 0.060 40.858 40.800 -0.003 0.000 0.915 1134 D HN 0.402 nan 8.370 nan 0.000 0.497 1135 I N -1.095 119.478 120.570 0.005 0.000 3.172 1135 I HA -0.029 4.142 4.170 0.003 0.000 0.278 1135 I C 1.296 177.424 176.117 0.018 0.000 1.174 1135 I CA 0.351 61.657 61.300 0.011 0.000 1.445 1135 I CB 0.529 38.538 38.000 0.015 0.000 1.175 1135 I HN -0.061 nan 8.210 nan 0.000 0.447 1136 c N 0.352 118.963 118.600 0.019 0.000 3.104 1136 c HA 0.137 4.709 4.570 0.003 0.000 0.284 1136 c C 2.233 176.336 174.090 0.022 0.000 1.326 1136 c CA -0.427 55.917 56.329 0.026 0.000 1.725 1136 c CB -0.699 41.832 42.510 0.035 0.000 2.156 1136 c HN 0.447 nan 8.230 nan 0.000 0.638 1137 E N 1.527 121.735 120.200 0.014 0.000 2.152 1137 E HA -0.174 4.177 4.350 0.003 0.000 0.192 1137 E C 2.144 178.751 176.600 0.012 0.000 0.983 1137 E CA 0.840 57.247 56.400 0.011 0.000 0.818 1137 E CB 0.045 29.748 29.700 0.005 0.000 0.758 1137 E HN 0.515 nan 8.360 nan 0.000 0.467 1138 E N 0.219 120.427 120.200 0.012 0.000 2.285 1138 E HA -0.117 4.235 4.350 0.003 0.000 0.194 1138 E C 1.590 178.200 176.600 0.016 0.000 0.997 1138 E CA 0.726 57.133 56.400 0.012 0.000 0.845 1138 E CB 0.280 29.986 29.700 0.010 0.000 0.782 1138 E HN 0.443 nan 8.360 nan 0.000 0.491 1139 Q N -0.578 119.234 119.800 0.021 0.000 2.349 1139 Q HA 0.118 4.460 4.340 0.003 0.000 0.209 1139 Q C 0.221 176.239 176.000 0.029 0.000 0.920 1139 Q CA 0.238 56.057 55.803 0.026 0.000 0.901 1139 Q CB 1.356 30.113 28.738 0.032 0.000 1.021 1139 Q HN -0.038 nan 8.270 nan 0.000 0.519 1140 V N 2.797 122.729 119.914 0.029 0.000 2.313 1140 V HA 0.134 4.256 4.120 0.003 0.000 0.278 1140 V C 0.466 176.574 176.094 0.023 0.000 1.017 1140 V CA -0.451 61.868 62.300 0.032 0.000 0.823 1140 V CB 1.158 33.005 31.823 0.041 0.000 1.010 1140 V HN 0.256 nan 8.190 nan 0.000 0.443 1141 N N 2.742 121.454 118.700 0.020 0.000 2.331 1141 N HA -0.113 4.628 4.740 0.003 0.000 0.180 1141 N C 1.924 177.441 175.510 0.011 0.000 1.019 1141 N CA 1.474 54.532 53.050 0.013 0.000 0.881 1141 N CB 0.206 38.699 38.487 0.010 0.000 0.972 1141 N HN 0.756 nan 8.380 nan 0.000 0.435 1142 S N 0.409 116.117 115.700 0.015 0.000 2.527 1142 S HA 0.037 4.509 4.470 0.003 0.000 0.222 1142 S C 1.897 176.507 174.600 0.018 0.000 0.985 1142 S CA -0.138 58.068 58.200 0.011 0.000 0.921 1142 S CB -0.190 63.015 63.200 0.008 0.000 0.772 1142 S HN 0.095 nan 8.310 nan 0.000 0.529 1143 L N 3.166 124.404 121.223 0.025 0.000 1.990 1143 L HA 0.065 4.407 4.340 0.003 0.000 0.213 1143 L C -1.088 175.795 176.870 0.023 0.000 1.072 1143 L CA 1.992 56.851 54.840 0.032 0.000 0.755 1143 L CB -1.541 40.534 42.059 0.028 0.000 0.889 1143 L HN 0.133 nan 8.230 nan 0.000 0.432 1144 P HA -0.114 nan 4.420 nan 0.000 0.215 1144 P C 1.608 178.909 177.300 0.002 0.000 1.153 1144 P CA 1.906 65.008 63.100 0.003 0.000 0.853 1144 P CB -0.423 31.276 31.700 -0.001 0.000 0.788 1145 G N -0.925 107.875 108.800 0.001 0.000 2.408 1145 G HA2 -0.232 3.729 3.960 0.003 0.000 0.217 1145 G HA3 -0.232 3.729 3.960 0.003 0.000 0.217 1145 G C 1.853 176.750 174.900 -0.005 0.000 1.150 1145 G CA 0.973 46.069 45.100 -0.006 0.000 0.776 1145 G HN 0.305 nan 8.290 nan 0.000 0.542 1146 S N 0.244 115.948 115.700 0.008 0.000 2.368 1146 S HA -0.070 4.401 4.470 0.003 0.000 0.225 1146 S C 2.413 177.044 174.600 0.053 0.000 1.030 1146 S CA 1.100 59.312 58.200 0.020 0.000 0.999 1146 S CB -0.290 62.954 63.200 0.073 0.000 0.844 1146 S HN 0.366 nan 8.310 nan 0.000 0.459 1147 I N 0.907 121.509 120.570 0.053 0.000 2.226 1147 I HA -0.156 4.015 4.170 0.003 0.000 0.245 1147 I C 2.574 178.706 176.117 0.025 0.000 1.100 1147 I CA 1.528 62.856 61.300 0.047 0.000 1.374 1147 I CB -0.874 37.134 38.000 0.014 0.000 1.057 1147 I HN 0.332 nan 8.210 nan 0.000 0.413 1148 T N 0.336 114.894 114.554 0.007 0.000 2.821 1148 T HA -0.148 4.204 4.350 0.003 0.000 0.267 1148 T C 2.025 176.728 174.700 0.005 0.000 1.046 1148 T CA 1.061 63.160 62.100 -0.002 0.000 1.139 1148 T CB -0.079 68.784 68.868 -0.009 0.000 0.871 1148 T HN 0.089 nan 8.240 nan 0.000 0.454 1149 K N 1.310 121.710 120.400 -0.000 0.000 2.103 1149 K HA 0.196 4.518 4.320 0.003 0.000 0.204 1149 K C 2.420 179.030 176.600 0.017 0.000 1.052 1149 K CA 1.057 57.339 56.287 -0.009 0.000 0.945 1149 K CB -0.595 31.875 32.500 -0.051 0.000 0.722 1149 K HN 0.320 nan 8.250 nan 0.000 0.443 1150 A N 0.210 123.050 122.820 0.033 0.000 1.930 1150 A HA -0.048 4.274 4.320 0.003 0.000 0.217 1150 A C 2.350 180.020 177.584 0.143 0.000 1.175 1150 A CA 1.934 54.034 52.037 0.105 0.000 0.627 1150 A CB -0.852 18.274 19.000 0.212 0.000 0.815 1150 A HN 0.388 nan 8.150 nan 0.000 0.443 1151 G N -0.264 108.581 108.800 0.076 0.000 2.408 1151 G HA2 -0.182 3.780 3.960 0.003 0.000 0.217 1151 G HA3 -0.182 3.780 3.960 0.003 0.000 0.217 1151 G C 1.073 175.995 174.900 0.037 0.000 1.150 1151 G CA 1.104 46.225 45.100 0.035 0.000 0.776 1151 G HN 0.436 nan 8.290 nan 0.000 0.542 1152 D N 0.102 120.533 120.400 0.051 0.000 2.149 1152 D HA -0.126 4.516 4.640 0.003 0.000 0.198 1152 D C 1.900 178.252 176.300 0.087 0.000 0.990 1152 D CA 0.597 54.626 54.000 0.048 0.000 0.839 1152 D CB -0.332 40.495 40.800 0.045 0.000 0.948 1152 D HN 0.327 nan 8.370 nan 0.000 0.460 1153 F N 1.129 121.075 119.950 -0.007 0.000 2.146 1153 F HA -0.047 4.481 4.527 0.003 0.000 0.298 1153 F C 2.077 177.897 175.800 0.033 0.000 1.096 1153 F CA 0.956 58.961 58.000 0.007 0.000 1.275 1153 F CB -0.281 38.720 39.000 0.002 0.000 1.008 1153 F HN -0.126 nan 8.300 nan 0.000 0.480 1154 L N 0.033 121.243 121.223 -0.021 0.000 2.046 1154 L HA -0.189 4.153 4.340 0.003 0.000 0.208 1154 L C 2.439 179.263 176.870 -0.076 0.000 1.077 1154 L CA 1.796 56.589 54.840 -0.079 0.000 0.747 1154 L CB -0.842 41.244 42.059 0.046 0.000 0.896 1154 L HN 0.159 nan 8.230 nan 0.000 0.432 1155 E N 0.573 120.730 120.200 -0.071 0.000 2.118 1155 E HA -0.214 4.138 4.350 0.003 0.000 0.195 1155 E C 2.071 178.641 176.600 -0.051 0.000 0.992 1155 E CA 1.551 57.906 56.400 -0.075 0.000 0.804 1155 E CB -0.028 29.631 29.700 -0.069 0.000 0.741 1155 E HN 0.395 nan 8.360 nan 0.000 0.458 1156 A N -0.012 122.756 122.820 -0.086 0.000 1.970 1156 A HA -0.028 4.294 4.320 0.003 0.000 0.216 1156 A C 1.451 178.970 177.584 -0.109 0.000 1.170 1156 A CA 1.353 53.342 52.037 -0.080 0.000 0.645 1156 A CB -0.248 18.713 19.000 -0.066 0.000 0.816 1156 A HN 0.350 nan 8.150 nan 0.000 0.447 1157 N N -2.175 116.396 118.700 -0.214 0.000 2.234 1157 N HA 0.172 4.914 4.740 0.003 0.000 0.227 1157 N C 0.741 176.183 175.510 -0.113 0.000 1.151 1157 N CA -0.162 52.758 53.050 -0.218 0.000 0.865 1157 N CB 0.112 38.334 38.487 -0.443 0.000 1.066 1157 N HN 0.513 nan 8.380 nan 0.000 0.515 1158 Y N 1.326 121.535 120.300 -0.152 0.000 2.220 1158 Y HA -0.015 4.537 4.550 0.003 0.000 0.291 1158 Y C 1.994 177.868 175.900 -0.043 0.000 1.129 1158 Y CA 1.358 59.405 58.100 -0.088 0.000 1.161 1158 Y CB 0.173 38.591 38.460 -0.071 0.000 0.997 1158 Y HN 0.048 nan 8.280 nan 0.000 0.522 1159 M N 0.257 119.893 119.600 0.059 0.000 2.279 1159 M HA -0.199 4.283 4.480 0.003 0.000 0.264 1159 M C 1.258 177.522 176.300 -0.060 0.000 1.062 1159 M CA 1.151 56.457 55.300 0.011 0.000 1.099 1159 M CB -1.066 31.561 32.600 0.045 0.000 1.394 1159 M HN 0.347 nan 8.290 nan 0.000 0.426 1160 N N 0.645 119.301 118.700 -0.073 0.000 2.409 1160 N HA 0.096 4.837 4.740 0.003 0.000 0.179 1160 N C 0.581 176.039 175.510 -0.088 0.000 1.032 1160 N CA 0.188 53.198 53.050 -0.067 0.000 0.898 1160 N CB -0.043 38.411 38.487 -0.054 0.000 0.971 1160 N HN 0.364 nan 8.380 nan 0.000 0.441 1161 L N 1.356 122.490 121.223 -0.149 0.000 2.543 1161 L HA -0.095 4.246 4.340 0.003 0.000 0.285 1161 L C 1.513 178.322 176.870 -0.102 0.000 1.236 1161 L CA 0.322 55.073 54.840 -0.148 0.000 0.871 1161 L CB 0.471 42.370 42.059 -0.266 0.000 1.121 1161 L HN 0.076 nan 8.230 nan 0.000 0.501 1162 Q N 2.098 121.865 119.800 -0.055 0.000 2.471 1162 Q HA 0.176 4.517 4.340 0.003 0.000 0.241 1162 Q C 0.182 176.178 176.000 -0.007 0.000 0.886 1162 Q CA 0.481 56.266 55.803 -0.030 0.000 0.953 1162 Q CB 0.477 29.205 28.738 -0.017 0.000 1.108 1162 Q HN 0.576 nan 8.270 nan 0.000 0.575 1163 R N 0.828 121.336 120.500 0.014 0.000 2.390 1163 R HA 0.300 4.642 4.340 0.003 0.000 0.291 1163 R C 1.092 177.448 176.300 0.094 0.000 1.070 1163 R CA -0.040 56.096 56.100 0.059 0.000 1.014 1163 R CB 0.697 31.045 30.300 0.079 0.000 1.007 1163 R HN -0.032 nan 8.270 nan 0.000 0.466 1164 S N 1.641 117.421 115.700 0.132 0.000 2.382 1164 S HA -0.206 4.265 4.470 0.003 0.000 0.228 1164 S C 1.578 176.330 174.600 0.253 0.000 1.027 1164 S CA 1.186 59.512 58.200 0.210 0.000 0.991 1164 S CB -0.354 62.970 63.200 0.207 0.000 0.823 1164 S HN 0.673 nan 8.310 nan 0.000 0.469 1165 Y N 2.781 123.153 120.300 0.120 0.000 2.097 1165 Y HA -0.258 4.293 4.550 0.003 0.000 0.282 1165 Y C 2.581 178.514 175.900 0.055 0.000 1.152 1165 Y CA 2.134 60.293 58.100 0.098 0.000 1.136 1165 Y CB -1.029 37.468 38.460 0.061 0.000 0.975 1165 Y HN 0.203 nan 8.280 nan 0.000 0.498 1166 T N -0.339 114.311 114.554 0.160 0.000 2.720 1166 T HA -0.200 4.151 4.350 0.003 0.000 0.268 1166 T C 2.042 176.728 174.700 -0.024 0.000 1.037 1166 T CA 1.687 63.813 62.100 0.044 0.000 1.144 1166 T CB -0.882 68.034 68.868 0.079 0.000 0.864 1166 T HN 0.237 nan 8.240 nan 0.000 0.444 1167 V N 1.623 121.537 119.914 -0.000 0.000 2.392 1167 V HA -0.183 3.939 4.120 0.003 0.000 0.249 1167 V C 2.871 179.093 176.094 0.213 0.000 1.059 1167 V CA 1.709 64.028 62.300 0.032 0.000 1.051 1167 V CB -1.181 30.684 31.823 0.070 0.000 0.658 1167 V HN 0.562 nan 8.190 nan 0.000 0.455 1168 A N -0.435 122.416 122.820 0.052 0.000 1.873 1168 A HA -0.151 4.170 4.320 0.003 0.000 0.215 1168 A C 2.245 179.770 177.584 -0.098 0.000 1.186 1168 A CA 1.921 53.913 52.037 -0.076 0.000 0.616 1168 A CB -0.473 18.346 19.000 -0.300 0.000 0.823 1168 A HN 0.490 nan 8.150 nan 0.000 0.442 1169 I N -0.854 119.528 120.570 -0.315 0.000 2.353 1169 I HA -0.132 4.040 4.170 0.003 0.000 0.248 1169 I C 2.530 178.536 176.117 -0.185 0.000 1.119 1169 I CA 1.163 62.150 61.300 -0.523 0.000 1.417 1169 I CB -0.076 37.411 38.000 -0.855 0.000 1.078 1169 I HN 0.316 nan 8.210 nan 0.000 0.421 1170 A N 0.379 123.182 122.820 -0.028 0.000 1.929 1170 A HA -0.008 4.313 4.320 0.003 0.000 0.216 1170 A C 2.316 179.937 177.584 0.062 0.000 1.176 1170 A CA 1.266 53.361 52.037 0.096 0.000 0.628 1170 A CB -1.329 17.824 19.000 0.256 0.000 0.816 1170 A HN 0.485 nan 8.150 nan 0.000 0.444 1171 G N -1.429 107.442 108.800 0.117 0.000 2.422 1171 G HA2 -0.285 3.677 3.960 0.003 0.000 0.218 1171 G HA3 -0.285 3.677 3.960 0.003 0.000 0.218 1171 G C 1.537 176.254 174.900 -0.305 0.000 1.146 1171 G CA 1.317 46.288 45.100 -0.216 0.000 0.769 1171 G HN 0.563 nan 8.290 nan 0.000 0.547 1172 Y N 2.095 122.229 120.300 -0.276 0.000 2.242 1172 Y HA 0.106 4.658 4.550 0.003 0.000 0.291 1172 Y C 2.817 178.627 175.900 -0.151 0.000 1.137 1172 Y CA 0.887 58.868 58.100 -0.199 0.000 1.181 1172 Y CB -0.534 37.900 38.460 -0.043 0.000 0.989 1172 Y HN 0.243 nan 8.280 nan 0.000 0.527 1173 A N 0.415 123.081 122.820 -0.256 0.000 1.877 1173 A HA -0.151 4.170 4.320 0.003 0.000 0.216 1173 A C 2.346 179.765 177.584 -0.275 0.000 1.186 1173 A CA 1.902 53.761 52.037 -0.297 0.000 0.620 1173 A CB -1.135 17.785 19.000 -0.133 0.000 0.822 1173 A HN 0.529 nan 8.150 nan 0.000 0.443 1174 L N -0.895 120.178 121.223 -0.251 0.000 2.056 1174 L HA -0.148 4.194 4.340 0.003 0.000 0.207 1174 L C 3.064 179.773 176.870 -0.268 0.000 1.078 1174 L CA 0.930 55.615 54.840 -0.257 0.000 0.749 1174 L CB -0.553 41.305 42.059 -0.336 0.000 0.901 1174 L HN 0.434 nan 8.230 nan 0.000 0.433 1175 A N -0.467 122.169 122.820 -0.307 0.000 2.024 1175 A HA -0.250 4.072 4.320 0.003 0.000 0.220 1175 A C 2.202 179.650 177.584 -0.228 0.000 1.164 1175 A CA 1.461 53.337 52.037 -0.267 0.000 0.643 1175 A CB -0.419 18.421 19.000 -0.266 0.000 0.806 1175 A HN 0.487 nan 8.150 nan 0.000 0.451 1176 Q N -1.005 118.618 119.800 -0.296 0.000 2.170 1176 Q HA -0.078 4.263 4.340 0.003 0.000 0.203 1176 Q C 1.793 177.691 176.000 -0.171 0.000 0.976 1176 Q CA 1.633 57.279 55.803 -0.261 0.000 0.858 1176 Q CB -0.221 28.301 28.738 -0.360 0.000 0.907 1176 Q HN 0.806 nan 8.270 nan 0.000 0.433 1177 M N -1.495 118.007 119.600 -0.163 0.000 2.495 1177 M HA 0.220 4.702 4.480 0.003 0.000 0.237 1177 M C 0.889 177.124 176.300 -0.109 0.000 1.131 1177 M CA 0.556 55.785 55.300 -0.118 0.000 1.032 1177 M CB 0.672 33.208 32.600 -0.107 0.000 1.513 1177 M HN 0.227 nan 8.290 nan 0.000 0.488 1178 G N 2.128 110.852 108.800 -0.128 0.000 2.221 1178 G HA2 -0.272 3.690 3.960 0.003 0.000 0.265 1178 G HA3 -0.272 3.690 3.960 0.003 0.000 0.265 1178 G C 0.566 175.395 174.900 -0.118 0.000 1.041 1178 G CA 0.144 45.175 45.100 -0.115 0.000 0.807 1178 G HN 0.565 nan 8.290 nan 0.000 0.502 1179 R N -1.248 119.166 120.500 -0.145 0.000 2.468 1179 R HA 0.290 4.632 4.340 0.003 0.000 0.280 1179 R C 0.655 176.841 176.300 -0.191 0.000 0.963 1179 R CA -0.398 55.616 56.100 -0.143 0.000 1.083 1179 R CB 0.456 30.678 30.300 -0.130 0.000 1.200 1179 R HN 0.298 nan 8.270 nan 0.000 0.541 1180 L N 2.164 123.253 121.223 -0.223 0.000 2.397 1180 L HA 0.257 4.599 4.340 0.003 0.000 0.263 1180 L C -0.796 175.963 176.870 -0.184 0.000 1.136 1180 L CA 0.269 54.943 54.840 -0.277 0.000 1.019 1180 L CB -0.178 41.660 42.059 -0.368 0.000 1.352 1180 L HN -0.103 nan 8.230 nan 0.000 0.420 1181 K N 2.187 122.504 120.400 -0.137 0.000 2.443 1181 K HA 0.837 5.158 4.320 0.003 0.000 0.251 1181 K C 0.339 176.910 176.600 -0.049 0.000 0.972 1181 K CA -0.591 55.648 56.287 -0.080 0.000 0.833 1181 K CB 1.813 34.272 32.500 -0.067 0.000 1.317 1181 K HN 0.451 nan 8.250 nan 0.000 0.441 1182 G N 1.614 110.401 108.800 -0.022 0.000 2.531 1182 G HA2 -0.274 3.687 3.960 0.003 0.000 0.274 1182 G HA3 -0.274 3.687 3.960 0.003 0.000 0.274 1182 G C -1.840 173.071 174.900 0.019 0.000 1.159 1182 G CA 0.021 45.120 45.100 -0.002 0.000 0.969 1182 G HN 0.498 nan 8.290 nan 0.000 0.554 1183 P HA 0.015 nan 4.420 nan 0.000 0.216 1183 P C 2.302 179.658 177.300 0.094 0.000 1.150 1183 P CA 1.504 64.636 63.100 0.053 0.000 0.837 1183 P CB -0.106 31.621 31.700 0.045 0.000 0.786 1184 L N -1.517 119.752 121.223 0.077 0.000 2.046 1184 L HA -0.150 4.191 4.340 0.003 0.000 0.208 1184 L C 2.350 179.302 176.870 0.137 0.000 1.077 1184 L CA 1.535 56.447 54.840 0.119 0.000 0.747 1184 L CB -1.681 40.304 42.059 -0.124 0.000 0.896 1184 L HN -0.036 nan 8.230 nan 0.000 0.432 1185 L N -0.226 121.026 121.223 0.048 0.000 2.056 1185 L HA -0.194 4.147 4.340 0.003 0.000 0.207 1185 L C 2.280 179.257 176.870 0.180 0.000 1.078 1185 L CA 1.699 56.591 54.840 0.086 0.000 0.749 1185 L CB -0.886 41.181 42.059 0.014 0.000 0.901 1185 L HN 0.374 nan 8.230 nan 0.000 0.433 1186 N N 0.030 118.804 118.700 0.124 0.000 2.069 1186 N HA -0.285 4.457 4.740 0.003 0.000 0.191 1186 N C 1.987 177.576 175.510 0.131 0.000 1.031 1186 N CA 2.024 55.139 53.050 0.107 0.000 0.852 1186 N CB -0.263 38.267 38.487 0.073 0.000 1.018 1186 N HN 0.442 nan 8.380 nan 0.000 0.423 1187 K N -0.888 119.615 120.400 0.173 0.000 2.032 1187 K HA -0.199 4.123 4.320 0.003 0.000 0.209 1187 K C 2.072 178.812 176.600 0.234 0.000 1.048 1187 K CA 1.403 57.794 56.287 0.174 0.000 0.927 1187 K CB -0.493 32.126 32.500 0.198 0.000 0.712 1187 K HN 0.278 nan 8.250 nan 0.000 0.441 1188 F N 1.704 121.790 119.950 0.227 0.000 2.095 1188 F HA -0.188 4.340 4.527 0.003 0.000 0.298 1188 F C 1.648 177.626 175.800 0.296 0.000 1.104 1188 F CA 1.504 59.680 58.000 0.293 0.000 1.232 1188 F CB -0.183 38.954 39.000 0.229 0.000 0.987 1188 F HN -0.013 nan 8.300 nan 0.000 0.475 1189 L N -0.139 121.094 121.223 0.017 0.000 2.109 1189 L HA -0.141 4.200 4.340 0.003 0.000 0.207 1189 L C 2.549 179.315 176.870 -0.174 0.000 1.086 1189 L CA 1.608 56.316 54.840 -0.220 0.000 0.760 1189 L CB -1.200 40.779 42.059 -0.133 0.000 0.910 1189 L HN 0.322 nan 8.230 nan 0.000 0.437 1190 T N -5.016 109.495 114.554 -0.072 0.000 2.951 1190 T HA -0.113 4.239 4.350 0.003 0.000 0.268 1190 T C 1.779 176.377 174.700 -0.170 0.000 1.073 1190 T CA 1.308 63.358 62.100 -0.082 0.000 1.134 1190 T CB -0.522 68.331 68.868 -0.026 0.000 0.884 1190 T HN 0.139 nan 8.240 nan 0.000 0.479 1191 T N 2.452 116.899 114.554 -0.179 0.000 2.788 1191 T HA 0.195 4.546 4.350 0.003 0.000 0.268 1191 T C 1.178 175.549 174.700 -0.547 0.000 1.044 1191 T CA 0.876 62.840 62.100 -0.227 0.000 1.139 1191 T CB -0.708 68.139 68.868 -0.034 0.000 0.867 1191 T HN 0.738 nan 8.240 nan 0.000 0.454 1192 A N 1.954 124.173 122.820 -1.001 0.000 2.524 1192 A HA 0.275 4.597 4.320 0.003 0.000 0.250 1192 A C 0.342 177.511 177.584 -0.692 0.000 1.078 1192 A CA -0.081 51.095 52.037 -1.435 0.000 0.761 1192 A CB -0.038 17.759 19.000 -2.005 0.000 1.012 1192 A HN 0.372 nan 8.150 nan 0.000 0.500 1193 K N 2.073 122.130 120.400 -0.573 0.000 2.234 1193 K HA 0.273 4.595 4.320 0.003 0.000 0.282 1193 K C -0.575 175.831 176.600 -0.324 0.000 1.039 1193 K CA -0.146 55.930 56.287 -0.351 0.000 0.928 1193 K CB 0.314 32.654 32.500 -0.267 0.000 1.039 1193 K HN 0.729 nan 8.250 nan 0.000 0.470 1194 D N 3.179 123.440 120.400 -0.231 0.000 3.059 1194 D HA -0.197 4.445 4.640 0.003 0.000 0.220 1194 D C -0.529 175.629 176.300 -0.238 0.000 1.169 1194 D CA 1.351 55.235 54.000 -0.193 0.000 0.902 1194 D CB -0.830 39.877 40.800 -0.155 0.000 1.116 1194 D HN 0.895 nan 8.370 nan 0.000 0.417 1195 K N -1.685 118.545 120.400 -0.283 0.000 3.209 1195 K HA -0.290 4.032 4.320 0.003 0.000 0.289 1195 K C 0.668 177.051 176.600 -0.363 0.000 1.191 1195 K CA 1.354 57.439 56.287 -0.337 0.000 0.851 1195 K CB -0.983 31.244 32.500 -0.456 0.000 1.242 1195 K HN 0.554 nan 8.250 nan 0.000 0.480 1196 N N -0.339 118.177 118.700 -0.307 0.000 2.075 1196 N HA 0.005 4.747 4.740 0.003 0.000 0.226 1196 N C -0.208 175.119 175.510 -0.306 0.000 1.343 1196 N CA -0.050 52.879 53.050 -0.201 0.000 0.881 1196 N CB 0.471 38.877 38.487 -0.135 0.000 1.100 1196 N HN 0.411 nan 8.380 nan 0.000 0.495 1197 R N -1.513 118.666 120.500 -0.536 0.000 2.663 1197 R HA 0.338 4.680 4.340 0.003 0.000 0.267 1197 R C -1.817 174.186 176.300 -0.494 0.000 1.038 1197 R CA -0.802 54.921 56.100 -0.629 0.000 0.886 1197 R CB 0.594 29.989 30.300 -1.509 0.000 1.249 1197 R HN -0.045 nan 8.270 nan 0.000 0.463 1198 W N 2.800 123.887 121.300 -0.355 0.000 2.296 1198 W HA 0.280 4.941 4.660 0.003 0.000 0.316 1198 W C -0.396 176.045 176.519 -0.130 0.000 1.022 1198 W CA -0.319 56.910 57.345 -0.192 0.000 1.324 1198 W CB 1.772 31.168 29.460 -0.108 0.000 1.227 1198 W HN 0.733 nan 8.180 nan 0.000 0.409 1199 E N 1.717 121.925 120.200 0.013 0.000 2.336 1199 E HA 0.588 4.940 4.350 0.003 0.000 0.267 1199 E C -1.209 175.435 176.600 0.073 0.000 0.906 1199 E CA -0.804 55.629 56.400 0.054 0.000 0.781 1199 E CB 2.740 32.435 29.700 -0.008 0.000 1.261 1199 E HN 0.027 nan 8.360 nan 0.000 0.436 1200 D N 1.182 121.645 120.400 0.106 0.000 2.661 1200 D HA 0.325 4.966 4.640 0.003 0.000 0.228 1200 D C -2.583 173.763 176.300 0.076 0.000 1.183 1200 D CA -1.615 52.440 54.000 0.090 0.000 0.844 1200 D CB 1.999 42.873 40.800 0.124 0.000 1.555 1200 D HN 0.274 nan 8.370 nan 0.000 0.453 1201 P HA 0.358 nan 4.420 nan 0.000 0.261 1201 P C 0.098 177.428 177.300 0.050 0.000 1.203 1201 P CA 0.426 63.549 63.100 0.039 0.000 0.767 1201 P CB 0.457 32.172 31.700 0.026 0.000 0.785 1202 G N 2.328 111.147 108.800 0.033 0.000 2.334 1202 G HA2 -0.015 3.947 3.960 0.003 0.000 0.249 1202 G HA3 -0.015 3.947 3.960 0.003 0.000 0.249 1202 G C -1.351 173.516 174.900 -0.056 0.000 1.327 1202 G CA -0.947 44.164 45.100 0.018 0.000 0.979 1202 G HN 0.388 nan 8.290 nan 0.000 0.471 1203 K N 0.585 120.871 120.400 -0.190 0.000 2.382 1203 K HA 0.196 4.518 4.320 0.003 0.000 0.275 1203 K C 1.053 177.474 176.600 -0.298 0.000 1.009 1203 K CA -0.382 55.694 56.287 -0.352 0.000 0.970 1203 K CB 1.091 33.176 32.500 -0.692 0.000 0.934 1203 K HN 0.399 nan 8.250 nan 0.000 0.479 1204 Q N 1.808 121.491 119.800 -0.195 0.000 2.224 1204 Q HA -0.091 4.251 4.340 0.003 0.000 0.203 1204 Q C 1.853 177.777 176.000 -0.126 0.000 0.970 1204 Q CA 1.287 57.030 55.803 -0.100 0.000 0.865 1204 Q CB 0.013 28.699 28.738 -0.087 0.000 0.922 1204 Q HN 0.650 nan 8.270 nan 0.000 0.445 1205 L N -0.321 120.746 121.223 -0.260 0.000 2.127 1205 L HA -0.222 4.119 4.340 0.003 0.000 0.211 1205 L C 2.107 179.008 176.870 0.052 0.000 1.089 1205 L CA 1.118 55.831 54.840 -0.213 0.000 0.757 1205 L CB -0.651 41.275 42.059 -0.223 0.000 0.899 1205 L HN 0.221 nan 8.230 nan 0.000 0.434 1206 Y N 0.024 120.339 120.300 0.025 0.000 2.242 1206 Y HA -0.146 4.406 4.550 0.003 0.000 0.291 1206 Y C 2.537 178.572 175.900 0.224 0.000 1.137 1206 Y CA 0.379 58.533 58.100 0.090 0.000 1.181 1206 Y CB -1.048 37.390 38.460 -0.038 0.000 0.989 1206 Y HN 0.277 nan 8.280 nan 0.000 0.527 1207 N N -0.019 118.868 118.700 0.313 0.000 2.106 1207 N HA -0.129 4.613 4.740 0.003 0.000 0.188 1207 N C 2.111 177.822 175.510 0.335 0.000 1.029 1207 N CA 1.375 54.607 53.050 0.302 0.000 0.848 1207 N CB -0.865 37.778 38.487 0.259 0.000 1.007 1207 N HN 0.160 nan 8.380 nan 0.000 0.423 1208 V N 1.749 121.841 119.914 0.297 0.000 2.332 1208 V HA -0.217 3.905 4.120 0.003 0.000 0.248 1208 V C 2.413 178.637 176.094 0.218 0.000 1.055 1208 V CA 1.745 64.205 62.300 0.266 0.000 1.038 1208 V CB -0.508 31.302 31.823 -0.022 0.000 0.651 1208 V HN 0.419 nan 8.190 nan 0.000 0.450 1209 E N 0.230 120.572 120.200 0.237 0.000 2.047 1209 E HA -0.206 4.146 4.350 0.003 0.000 0.191 1209 E C 2.249 179.034 176.600 0.308 0.000 0.987 1209 E CA 1.337 57.901 56.400 0.273 0.000 0.799 1209 E CB -0.218 29.734 29.700 0.421 0.000 0.752 1209 E HN 0.548 nan 8.360 nan 0.000 0.449 1210 A N 0.378 123.429 122.820 0.386 0.000 1.902 1210 A HA -0.150 4.172 4.320 0.003 0.000 0.217 1210 A C 2.390 180.048 177.584 0.122 0.000 1.181 1210 A CA 2.019 54.212 52.037 0.261 0.000 0.623 1210 A CB -0.964 18.233 19.000 0.330 0.000 0.818 1210 A HN 0.353 nan 8.150 nan 0.000 0.443 1211 T N 0.011 114.668 114.554 0.171 0.000 2.833 1211 T HA -0.083 4.268 4.350 0.003 0.000 0.269 1211 T C 2.192 176.914 174.700 0.035 0.000 1.054 1211 T CA 1.531 63.710 62.100 0.131 0.000 1.135 1211 T CB -0.242 68.754 68.868 0.214 0.000 0.869 1211 T HN 0.463 nan 8.240 nan 0.000 0.466 1212 S N 0.376 116.098 115.700 0.037 0.000 2.368 1212 S HA -0.057 4.415 4.470 0.003 0.000 0.224 1212 S C 1.725 176.201 174.600 -0.207 0.000 1.029 1212 S CA 0.870 59.024 58.200 -0.077 0.000 0.988 1212 S CB -0.431 62.702 63.200 -0.112 0.000 0.838 1212 S HN 0.497 nan 8.310 nan 0.000 0.462 1213 Y N 1.842 122.034 120.300 -0.180 0.000 2.181 1213 Y HA -0.132 4.419 4.550 0.003 0.000 0.288 1213 Y C 2.649 178.336 175.900 -0.355 0.000 1.146 1213 Y CA 0.672 58.580 58.100 -0.321 0.000 1.164 1213 Y CB -0.892 37.439 38.460 -0.215 0.000 0.982 1213 Y HN 0.267 nan 8.280 nan 0.000 0.515 1214 A N -0.435 122.250 122.820 -0.224 0.000 1.902 1214 A HA -0.182 4.139 4.320 0.003 0.000 0.217 1214 A C 2.197 179.670 177.584 -0.185 0.000 1.181 1214 A CA 1.643 53.430 52.037 -0.416 0.000 0.623 1214 A CB -1.074 16.984 19.000 -1.571 0.000 0.818 1214 A HN 0.419 nan 8.150 nan 0.000 0.443 1215 L N -0.178 120.965 121.223 -0.133 0.000 2.046 1215 L HA -0.103 4.239 4.340 0.003 0.000 0.208 1215 L C 2.251 179.106 176.870 -0.026 0.000 1.077 1215 L CA 1.691 56.524 54.840 -0.011 0.000 0.747 1215 L CB -0.568 41.498 42.059 0.012 0.000 0.896 1215 L HN 0.402 nan 8.230 nan 0.000 0.432 1216 L N -0.735 120.391 121.223 -0.161 0.000 2.083 1216 L HA -0.183 4.158 4.340 0.003 0.000 0.209 1216 L C 2.633 179.497 176.870 -0.010 0.000 1.083 1216 L CA 1.116 55.830 54.840 -0.210 0.000 0.752 1216 L CB -0.868 40.758 42.059 -0.722 0.000 0.899 1216 L HN 0.402 nan 8.230 nan 0.000 0.433 1217 A N 0.136 122.959 122.820 0.005 0.000 1.873 1217 A HA -0.145 4.176 4.320 0.003 0.000 0.215 1217 A C 2.232 179.810 177.584 -0.011 0.000 1.186 1217 A CA 1.256 53.338 52.037 0.074 0.000 0.616 1217 A CB -0.636 18.259 19.000 -0.175 0.000 0.823 1217 A HN 0.334 nan 8.150 nan 0.000 0.442 1218 L N -0.559 120.692 121.223 0.045 0.000 2.046 1218 L HA -0.193 4.148 4.340 0.003 0.000 0.208 1218 L C 2.550 179.439 176.870 0.031 0.000 1.077 1218 L CA 1.121 56.004 54.840 0.072 0.000 0.747 1218 L CB -0.573 41.585 42.059 0.165 0.000 0.896 1218 L HN 0.373 nan 8.230 nan 0.000 0.432 1219 L N -0.734 120.528 121.223 0.065 0.000 2.083 1219 L HA -0.233 4.109 4.340 0.003 0.000 0.209 1219 L C 2.649 179.535 176.870 0.027 0.000 1.083 1219 L CA 0.978 55.858 54.840 0.068 0.000 0.752 1219 L CB -0.406 41.722 42.059 0.114 0.000 0.899 1219 L HN 0.298 nan 8.230 nan 0.000 0.433 1220 Q N 0.524 120.348 119.800 0.039 0.000 2.119 1220 Q HA -0.140 4.201 4.340 0.003 0.000 0.201 1220 Q C 2.075 178.045 176.000 -0.051 0.000 0.972 1220 Q CA 1.487 57.299 55.803 0.015 0.000 0.847 1220 Q CB -0.147 28.616 28.738 0.041 0.000 0.903 1220 Q HN 0.478 nan 8.270 nan 0.000 0.433 1221 L N -0.096 121.080 121.223 -0.079 0.000 2.478 1221 L HA -0.013 4.329 4.340 0.003 0.000 0.223 1221 L C 0.409 177.174 176.870 -0.177 0.000 1.140 1221 L CA 0.412 55.182 54.840 -0.116 0.000 0.842 1221 L CB -0.046 41.947 42.059 -0.110 0.000 0.953 1221 L HN 0.168 nan 8.230 nan 0.000 0.452 1222 K N -0.731 119.527 120.400 -0.236 0.000 3.391 1222 K HA -0.213 4.109 4.320 0.003 0.000 0.307 1222 K C 0.017 176.029 176.600 -0.981 0.000 1.304 1222 K CA 0.708 56.668 56.287 -0.545 0.000 0.904 1222 K CB -1.881 30.399 32.500 -0.367 0.000 1.293 1222 K HN 0.280 nan 8.250 nan 0.000 0.470 1223 D N 0.710 120.831 120.400 -0.465 0.000 2.455 1223 D HA 0.132 4.774 4.640 0.003 0.000 0.234 1223 D C 0.927 177.135 176.300 -0.153 0.000 1.224 1223 D CA -0.257 53.581 54.000 -0.270 0.000 0.999 1223 D CB -0.370 40.417 40.800 -0.021 0.000 1.072 1223 D HN 0.051 nan 8.370 nan 0.000 0.514 1224 F N 0.761 120.798 119.950 0.144 0.000 2.293 1224 F HA -0.051 4.478 4.527 0.003 0.000 0.300 1224 F C 2.047 177.943 175.800 0.159 0.000 1.086 1224 F CA 0.269 58.356 58.000 0.144 0.000 1.375 1224 F CB -0.159 38.899 39.000 0.096 0.000 1.045 1224 F HN 0.221 nan 8.300 nan 0.000 0.516 1225 D N -0.509 120.072 120.400 0.303 0.000 2.224 1225 D HA -0.145 4.497 4.640 0.003 0.000 0.205 1225 D C 1.867 178.284 176.300 0.195 0.000 0.965 1225 D CA 1.081 55.216 54.000 0.225 0.000 0.852 1225 D CB -0.355 40.560 40.800 0.192 0.000 0.947 1225 D HN 0.281 nan 8.370 nan 0.000 0.494 1226 F N 0.464 120.486 119.950 0.119 0.000 2.619 1226 F HA -0.004 4.524 4.527 0.003 0.000 0.293 1226 F C 2.080 177.959 175.800 0.132 0.000 1.119 1226 F CA 0.174 58.242 58.000 0.114 0.000 1.445 1226 F CB 0.249 39.327 39.000 0.130 0.000 1.119 1226 F HN -0.265 nan 8.300 nan 0.000 0.573 1227 V N 1.654 121.773 119.914 0.341 0.000 2.261 1227 V HA -0.209 3.913 4.120 0.003 0.000 0.246 1227 V C -0.394 175.794 176.094 0.157 0.000 1.047 1227 V CA 2.047 64.512 62.300 0.275 0.000 1.015 1227 V CB -1.768 30.241 31.823 0.310 0.000 0.642 1227 V HN 0.153 nan 8.190 nan 0.000 0.446 1228 P HA -0.134 nan 4.420 nan 0.000 0.215 1228 P C -1.360 175.961 177.300 0.036 0.000 1.163 1228 P CA 2.150 65.300 63.100 0.084 0.000 0.894 1228 P CB -1.355 30.407 31.700 0.103 0.000 0.791 1229 P HA -0.103 nan 4.420 nan 0.000 0.217 1229 P C 1.604 178.946 177.300 0.070 0.000 1.150 1229 P CA 1.092 64.192 63.100 0.000 0.000 0.832 1229 P CB -0.498 31.134 31.700 -0.113 0.000 0.787 1230 V N -0.452 119.526 119.914 0.107 0.000 2.295 1230 V HA -0.189 3.932 4.120 0.003 0.000 0.246 1230 V C 2.481 178.681 176.094 0.176 0.000 1.049 1230 V CA 1.730 64.149 62.300 0.199 0.000 1.024 1230 V CB -1.293 30.713 31.823 0.304 0.000 0.648 1230 V HN -0.039 nan 8.190 nan 0.000 0.447 1231 V N -0.259 119.671 119.914 0.028 0.000 2.343 1231 V HA -0.249 3.873 4.120 0.003 0.000 0.247 1231 V C 2.599 178.677 176.094 -0.027 0.000 1.051 1231 V CA 1.988 64.221 62.300 -0.112 0.000 1.036 1231 V CB -0.795 30.726 31.823 -0.505 0.000 0.654 1231 V HN 0.442 nan 8.190 nan 0.000 0.451 1232 R N -1.593 118.918 120.500 0.019 0.000 2.096 1232 R HA -0.235 4.107 4.340 0.003 0.000 0.235 1232 R C 2.120 178.471 176.300 0.085 0.000 1.127 1232 R CA 2.117 58.243 56.100 0.043 0.000 0.968 1232 R CB -0.354 29.977 30.300 0.051 0.000 0.861 1232 R HN 0.699 nan 8.270 nan 0.000 0.440 1233 W N 1.095 122.379 121.300 -0.027 0.000 2.381 1233 W HA -0.121 4.541 4.660 0.003 0.000 0.301 1233 W C 1.550 178.055 176.519 -0.024 0.000 1.205 1233 W CA 1.140 58.475 57.345 -0.017 0.000 1.285 1233 W CB -0.252 29.210 29.460 0.003 0.000 1.133 1233 W HN -0.040 nan 8.180 nan 0.000 0.521 1234 L N 0.865 122.178 121.223 0.150 0.000 2.046 1234 L HA -0.291 4.051 4.340 0.003 0.000 0.208 1234 L C 2.246 178.991 176.870 -0.209 0.000 1.077 1234 L CA 1.513 56.318 54.840 -0.058 0.000 0.747 1234 L CB -1.028 41.072 42.059 0.069 0.000 0.896 1234 L HN 0.032 nan 8.230 nan 0.000 0.432 1235 N N 0.043 118.670 118.700 -0.122 0.000 2.188 1235 N HA -0.170 4.571 4.740 0.003 0.000 0.184 1235 N C 1.687 177.108 175.510 -0.148 0.000 1.018 1235 N CA 1.124 54.115 53.050 -0.099 0.000 0.858 1235 N CB -0.118 38.355 38.487 -0.023 0.000 0.989 1235 N HN 0.426 nan 8.380 nan 0.000 0.426 1236 E N 0.321 120.400 120.200 -0.201 0.000 2.274 1236 E HA -0.059 4.292 4.350 0.003 0.000 0.194 1236 E C 1.426 177.835 176.600 -0.318 0.000 0.996 1236 E CA 0.381 56.651 56.400 -0.216 0.000 0.840 1236 E CB 0.095 29.678 29.700 -0.195 0.000 0.772 1236 E HN 0.284 nan 8.360 nan 0.000 0.491 1237 Q N 0.322 119.833 119.800 -0.482 0.000 2.364 1237 Q HA -0.050 4.292 4.340 0.003 0.000 0.207 1237 Q C 0.312 176.107 176.000 -0.341 0.000 0.970 1237 Q CA 0.496 56.002 55.803 -0.496 0.000 0.888 1237 Q CB -0.065 28.271 28.738 -0.670 0.000 0.951 1237 Q HN 0.217 nan 8.270 nan 0.000 0.469 1238 R N -0.611 119.677 120.500 -0.353 0.000 3.516 1238 R HA -0.234 4.108 4.340 0.003 0.000 0.271 1238 R C -0.807 175.010 176.300 -0.804 0.000 1.098 1238 R CA 0.372 56.189 56.100 -0.471 0.000 0.732 1238 R CB -2.316 27.869 30.300 -0.192 0.000 1.152 1238 R HN 0.189 nan 8.270 nan 0.000 0.455 1239 Y N -0.016 119.759 120.300 -0.874 0.000 2.328 1239 Y HA 0.318 4.869 4.550 0.003 0.000 0.337 1239 Y C -0.110 175.342 175.900 -0.748 0.000 1.008 1239 Y CA -0.998 56.692 58.100 -0.683 0.000 1.129 1239 Y CB 0.685 38.922 38.460 -0.370 0.000 1.185 1239 Y HN 0.114 nan 8.280 nan 0.000 0.476 1240 Y N 4.068 124.036 120.300 -0.554 0.000 2.698 1240 Y HA 0.492 5.044 4.550 0.003 0.000 0.261 1240 Y C 0.901 176.746 175.900 -0.092 0.000 1.104 1240 Y CA -0.582 57.412 58.100 -0.177 0.000 1.145 1240 Y CB 0.378 38.918 38.460 0.135 0.000 1.191 1240 Y HN 0.906 nan 8.280 nan 0.000 0.564 1241 G N 0.135 108.439 108.800 -0.827 0.000 2.855 1241 G HA2 0.317 4.278 3.960 0.003 0.000 0.352 1241 G HA3 0.317 4.278 3.960 0.003 0.000 0.352 1241 G C 0.100 175.024 174.900 0.041 0.000 1.415 1241 G CA -0.098 44.847 45.100 -0.259 0.000 0.871 1241 G HN 1.359 nan 8.290 nan 0.000 0.543 1242 G N -1.804 107.113 108.800 0.194 0.000 2.699 1242 G HA2 0.522 4.484 3.960 0.003 0.000 0.686 1242 G HA3 0.522 4.484 3.960 0.003 0.000 0.686 1242 G C 1.073 176.093 174.900 0.201 0.000 1.301 1242 G CA 0.773 46.007 45.100 0.224 0.000 0.816 1242 G HN 3.283 nan 8.290 nan 0.000 0.595 1243 G N -1.038 107.867 108.800 0.176 0.000 2.566 1243 G HA2 0.362 4.323 3.960 0.003 0.000 0.599 1243 G HA3 0.362 4.323 3.960 0.003 0.000 0.599 1243 G C -0.245 174.770 174.900 0.192 0.000 1.292 1243 G CA 0.179 45.387 45.100 0.180 0.000 0.922 1243 G HN 2.254 nan 8.290 nan 0.000 0.514 1244 Y N 1.428 121.778 120.300 0.084 0.000 2.377 1244 Y HA 0.414 4.966 4.550 0.003 0.000 0.330 1244 Y C 1.339 177.282 175.900 0.073 0.000 1.108 1244 Y CA 1.347 59.490 58.100 0.071 0.000 1.308 1244 Y CB 0.827 39.318 38.460 0.052 0.000 1.216 1244 Y HN 2.438 nan 8.280 nan 0.000 0.518 1245 G N 3.873 112.343 108.800 -0.551 0.000 2.314 1245 G HA2 -0.282 3.679 3.960 0.003 0.000 0.292 1245 G HA3 -0.282 3.679 3.960 0.003 0.000 0.292 1245 G C 0.399 175.264 174.900 -0.058 0.000 1.059 1245 G CA 0.691 45.574 45.100 -0.363 0.000 0.982 1245 G HN 1.276 nan 8.290 nan 0.000 0.505 1246 S N -2.464 113.252 115.700 0.026 0.000 2.701 1246 S HA 0.229 4.701 4.470 0.003 0.000 0.242 1246 S C 1.772 176.495 174.600 0.205 0.000 1.025 1246 S CA 1.087 59.390 58.200 0.172 0.000 1.016 1246 S CB 0.446 63.814 63.200 0.280 0.000 0.977 1246 S HN 0.342 nan 8.310 nan 0.000 0.546 1247 T N 2.965 117.594 114.554 0.125 0.000 2.652 1247 T HA -0.134 4.218 4.350 0.003 0.000 0.267 1247 T C 1.865 176.728 174.700 0.271 0.000 1.039 1247 T CA 1.784 63.984 62.100 0.168 0.000 1.153 1247 T CB -0.293 68.606 68.868 0.051 0.000 0.863 1247 T HN 0.321 nan 8.240 nan 0.000 0.428 1248 Q N 0.606 120.548 119.800 0.236 0.000 2.083 1248 Q HA 0.145 4.486 4.340 0.003 0.000 0.198 1248 Q C 2.730 178.941 176.000 0.352 0.000 0.969 1248 Q CA 1.447 57.451 55.803 0.336 0.000 0.838 1248 Q CB -0.844 28.090 28.738 0.326 0.000 0.900 1248 Q HN 0.574 nan 8.270 nan 0.000 0.436 1249 A N 0.493 123.492 122.820 0.297 0.000 1.902 1249 A HA -0.151 4.170 4.320 0.003 0.000 0.217 1249 A C 2.350 180.154 177.584 0.366 0.000 1.181 1249 A CA 2.029 54.228 52.037 0.270 0.000 0.623 1249 A CB -0.848 18.239 19.000 0.145 0.000 0.818 1249 A HN 0.388 nan 8.150 nan 0.000 0.443 1250 T N -1.080 113.736 114.554 0.437 0.000 2.746 1250 T HA -0.111 4.241 4.350 0.003 0.000 0.267 1250 T C 1.631 176.603 174.700 0.453 0.000 1.039 1250 T CA 1.543 63.916 62.100 0.455 0.000 1.142 1250 T CB -0.365 68.734 68.868 0.386 0.000 0.866 1250 T HN 0.462 nan 8.240 nan 0.000 0.444 1251 F N 1.008 121.125 119.950 0.278 0.000 2.206 1251 F HA -0.010 4.519 4.527 0.003 0.000 0.298 1251 F C 2.106 178.002 175.800 0.159 0.000 1.090 1251 F CA 0.958 59.098 58.000 0.233 0.000 1.323 1251 F CB -0.129 39.033 39.000 0.271 0.000 1.028 1251 F HN -0.004 nan 8.300 nan 0.000 0.492 1252 M N -0.892 118.853 119.600 0.242 0.000 2.248 1252 M HA -0.053 4.429 4.480 0.003 0.000 0.265 1252 M C 2.422 178.682 176.300 -0.066 0.000 1.079 1252 M CA 0.876 56.170 55.300 -0.010 0.000 1.150 1252 M CB -1.394 31.125 32.600 -0.136 0.000 1.366 1252 M HN 0.138 nan 8.290 nan 0.000 0.433 1253 V N 0.107 120.016 119.914 -0.009 0.000 2.407 1253 V HA -0.252 3.870 4.120 0.003 0.000 0.248 1253 V C 2.055 178.034 176.094 -0.191 0.000 1.055 1253 V CA 1.836 64.068 62.300 -0.115 0.000 1.049 1253 V CB -0.405 31.326 31.823 -0.154 0.000 0.662 1253 V HN 0.249 nan 8.190 nan 0.000 0.455 1254 F N -0.238 119.693 119.950 -0.031 0.000 2.416 1254 F HA 0.017 4.546 4.527 0.003 0.000 0.296 1254 F C 2.439 178.290 175.800 0.086 0.000 1.099 1254 F CA 1.542 59.522 58.000 -0.035 0.000 1.427 1254 F CB -0.362 38.568 39.000 -0.117 0.000 1.079 1254 F HN 0.190 nan 8.300 nan 0.000 0.536 1255 Q N 0.300 120.148 119.800 0.080 0.000 2.123 1255 Q HA -0.120 4.221 4.340 0.003 0.000 0.199 1255 Q C 2.315 178.348 176.000 0.055 0.000 0.966 1255 Q CA 1.326 57.126 55.803 -0.005 0.000 0.845 1255 Q CB -0.103 28.476 28.738 -0.265 0.000 0.907 1255 Q HN 0.355 nan 8.270 nan 0.000 0.439 1256 A N 0.775 123.598 122.820 0.005 0.000 1.873 1256 A HA -0.107 4.215 4.320 0.003 0.000 0.215 1256 A C 2.023 179.685 177.584 0.129 0.000 1.186 1256 A CA 0.924 52.968 52.037 0.011 0.000 0.616 1256 A CB -0.626 18.340 19.000 -0.057 0.000 0.823 1256 A HN 0.421 nan 8.150 nan 0.000 0.442 1257 L N -0.758 120.570 121.223 0.176 0.000 2.093 1257 L HA -0.169 4.173 4.340 0.003 0.000 0.208 1257 L C 3.055 180.156 176.870 0.385 0.000 1.085 1257 L CA 0.949 55.974 54.840 0.308 0.000 0.755 1257 L CB -0.526 41.731 42.059 0.330 0.000 0.904 1257 L HN 0.448 nan 8.230 nan 0.000 0.435 1258 A N -0.422 122.615 122.820 0.361 0.000 1.898 1258 A HA -0.260 4.062 4.320 0.003 0.000 0.216 1258 A C 2.213 179.845 177.584 0.079 0.000 1.181 1258 A CA 1.683 53.795 52.037 0.125 0.000 0.620 1258 A CB -0.430 18.676 19.000 0.176 0.000 0.819 1258 A HN 0.366 nan 8.150 nan 0.000 0.442 1259 Q N -1.424 118.461 119.800 0.142 0.000 2.119 1259 Q HA -0.183 4.159 4.340 0.003 0.000 0.201 1259 Q C 1.804 177.876 176.000 0.120 0.000 0.972 1259 Q CA 2.073 57.943 55.803 0.112 0.000 0.847 1259 Q CB -0.633 28.171 28.738 0.111 0.000 0.903 1259 Q HN 0.735 nan 8.270 nan 0.000 0.433 1260 Y N 0.351 120.685 120.300 0.058 0.000 2.165 1260 Y HA -0.240 4.311 4.550 0.003 0.000 0.286 1260 Y C 1.867 177.793 175.900 0.043 0.000 1.155 1260 Y CA 1.996 60.136 58.100 0.066 0.000 1.164 1260 Y CB -0.050 38.462 38.460 0.087 0.000 0.978 1260 Y HN 0.165 nan 8.280 nan 0.000 0.513 1261 Q N 0.574 120.325 119.800 -0.082 0.000 2.167 1261 Q HA -0.171 4.170 4.340 0.003 0.000 0.202 1261 Q C 2.226 178.114 176.000 -0.187 0.000 0.970 1261 Q CA 1.547 57.229 55.803 -0.203 0.000 0.855 1261 Q CB -0.302 28.364 28.738 -0.120 0.000 0.911 1261 Q HN 0.545 nan 8.270 nan 0.000 0.438 1262 K N 0.615 120.945 120.400 -0.117 0.000 2.062 1262 K HA -0.129 4.192 4.320 0.003 0.000 0.205 1262 K C 1.082 177.631 176.600 -0.086 0.000 1.051 1262 K CA 1.268 57.500 56.287 -0.092 0.000 0.941 1262 K CB 0.263 32.734 32.500 -0.049 0.000 0.719 1262 K HN 0.010 nan 8.250 nan 0.000 0.440 1263 D N 0.783 121.139 120.400 -0.074 0.000 2.194 1263 D HA -0.011 4.631 4.640 0.003 0.000 0.204 1263 D C 0.192 176.432 176.300 -0.100 0.000 0.964 1263 D CA 0.531 54.506 54.000 -0.042 0.000 0.846 1263 D CB -0.209 40.613 40.800 0.036 0.000 0.962 1263 D HN 0.255 nan 8.370 nan 0.000 0.490 1264 A N 2.163 124.852 122.820 -0.220 0.000 2.561 1264 A HA 0.217 4.539 4.320 0.003 0.000 0.251 1264 A C -2.049 175.413 177.584 -0.203 0.000 1.062 1264 A CA -0.660 51.219 52.037 -0.265 0.000 0.761 1264 A CB -0.304 18.452 19.000 -0.406 0.000 0.986 1264 A HN -0.021 nan 8.150 nan 0.000 0.510 1265 P HA 0.139 nan 4.420 nan 0.000 0.275 1265 P C 0.481 177.617 177.300 -0.272 0.000 1.228 1265 P CA -0.278 62.666 63.100 -0.261 0.000 0.786 1265 P CB 0.793 32.308 31.700 -0.307 0.000 0.927 1266 D N 1.568 121.770 120.400 -0.329 0.000 2.123 1266 D HA -0.162 4.480 4.640 0.003 0.000 0.196 1266 D C 0.390 176.540 176.300 -0.251 0.000 0.992 1266 D CA 1.757 55.602 54.000 -0.258 0.000 0.833 1266 D CB 0.033 40.692 40.800 -0.235 0.000 0.954 1266 D HN 0.622 nan 8.370 nan 0.000 0.455 1267 H N -2.535 116.292 119.070 -0.404 0.000 3.014 1267 H HA 0.348 4.906 4.556 0.003 0.000 0.337 1267 H C -0.813 174.268 175.328 -0.413 0.000 1.320 1267 H CA -0.963 54.787 56.048 -0.497 0.000 1.128 1267 H CB 0.084 29.165 29.762 -1.136 0.000 1.862 1267 H HN -0.064 nan 8.280 nan 0.000 0.536 1268 Q N 1.106 120.833 119.800 -0.122 0.000 2.311 1268 Q HA 0.029 4.370 4.340 0.003 0.000 0.272 1268 Q C 0.051 176.047 176.000 -0.007 0.000 1.012 1268 Q CA 0.180 55.935 55.803 -0.079 0.000 0.891 1268 Q CB 1.344 30.086 28.738 0.006 0.000 1.201 1268 Q HN 0.521 nan 8.270 nan 0.000 0.391 1269 E N 2.342 122.509 120.200 -0.054 0.000 2.465 1269 E HA 0.023 4.375 4.350 0.003 0.000 0.260 1269 E C -1.270 175.401 176.600 0.119 0.000 0.980 1269 E CA -0.137 56.273 56.400 0.017 0.000 0.927 1269 E CB 0.425 30.108 29.700 -0.029 0.000 0.934 1269 E HN 0.258 nan 8.360 nan 0.000 0.459 1270 L N 6.249 127.600 121.223 0.215 0.000 2.401 1270 L HA 0.398 4.740 4.340 0.003 0.000 0.263 1270 L C -1.472 175.504 176.870 0.177 0.000 1.004 1270 L CA -0.236 54.735 54.840 0.218 0.000 0.881 1270 L CB 1.126 43.390 42.059 0.341 0.000 1.219 1270 L HN 0.493 nan 8.230 nan 0.000 0.441 1271 N N 5.583 124.339 118.700 0.092 0.000 2.726 1271 N HA 0.294 5.035 4.740 0.003 0.000 0.253 1271 N C -1.450 174.042 175.510 -0.030 0.000 1.530 1271 N CA -0.186 52.883 53.050 0.032 0.000 0.772 1271 N CB 0.874 39.421 38.487 0.100 0.000 1.220 1271 N HN 0.552 nan 8.380 nan 0.000 0.508 1272 L N 0.391 121.576 121.223 -0.063 0.000 2.375 1272 L HA 0.354 4.696 4.340 0.003 0.000 0.271 1272 L C 0.177 177.009 176.870 -0.065 0.000 1.107 1272 L CA -0.450 54.365 54.840 -0.042 0.000 0.806 1272 L CB 1.085 43.131 42.059 -0.021 0.000 1.146 1272 L HN 0.197 nan 8.230 nan 0.000 0.447 1273 D N 2.088 122.474 120.400 -0.023 0.000 2.438 1273 D HA 0.319 4.961 4.640 0.003 0.000 0.257 1273 D C -0.999 175.311 176.300 0.017 0.000 1.148 1273 D CA -0.239 53.756 54.000 -0.008 0.000 0.902 1273 D CB 1.115 41.916 40.800 0.001 0.000 1.062 1273 D HN 0.007 nan 8.370 nan 0.000 0.518 1274 V N 2.667 122.603 119.914 0.036 0.000 2.427 1274 V HA 0.596 4.717 4.120 0.003 0.000 0.286 1274 V C 0.285 176.432 176.094 0.090 0.000 1.034 1274 V CA -0.658 61.675 62.300 0.055 0.000 0.893 1274 V CB 1.394 33.245 31.823 0.045 0.000 0.982 1274 V HN 0.628 nan 8.190 nan 0.000 0.452 1275 S N 5.407 121.152 115.700 0.076 0.000 2.538 1275 S HA 0.803 5.274 4.470 0.003 0.000 0.288 1275 S C -1.048 173.603 174.600 0.085 0.000 1.108 1275 S CA -0.855 57.392 58.200 0.078 0.000 0.971 1275 S CB 1.536 64.763 63.200 0.045 0.000 1.041 1275 S HN 0.468 nan 8.310 nan 0.000 0.483 1276 L N 2.067 123.342 121.223 0.087 0.000 2.309 1276 L HA 0.598 4.940 4.340 0.003 0.000 0.282 1276 L C -0.258 176.649 176.870 0.062 0.000 1.036 1276 L CA -0.677 54.212 54.840 0.082 0.000 0.806 1276 L CB 1.554 43.629 42.059 0.028 0.000 1.220 1276 L HN 0.694 nan 8.230 nan 0.000 0.429 1277 Q N 3.609 123.469 119.800 0.100 0.000 2.508 1277 Q HA 0.447 4.789 4.340 0.003 0.000 0.247 1277 Q C -1.354 174.707 176.000 0.102 0.000 1.047 1277 Q CA -0.061 55.790 55.803 0.079 0.000 0.783 1277 Q CB 0.846 29.628 28.738 0.074 0.000 1.172 1277 Q HN 0.521 nan 8.270 nan 0.000 0.515 1278 L N 5.669 126.917 121.223 0.041 0.000 2.276 1278 L HA 0.381 4.723 4.340 0.003 0.000 0.286 1278 L C -1.444 175.447 176.870 0.034 0.000 1.061 1278 L CA -1.873 52.987 54.840 0.033 0.000 0.807 1278 L CB 1.111 43.136 42.059 -0.057 0.000 1.177 1278 L HN 0.490 nan 8.230 nan 0.000 0.429 1279 P HA -0.138 nan 4.420 nan 0.000 0.223 1279 P C 0.902 178.210 177.300 0.014 0.000 1.144 1279 P CA 0.896 64.014 63.100 0.031 0.000 0.783 1279 P CB 0.230 31.950 31.700 0.033 0.000 0.771 1280 S N -3.047 112.657 115.700 0.008 0.000 2.568 1280 S HA 0.255 4.727 4.470 0.003 0.000 0.232 1280 S C 0.712 175.309 174.600 -0.006 0.000 0.975 1280 S CA -0.488 57.711 58.200 -0.001 0.000 0.949 1280 S CB 0.016 63.213 63.200 -0.004 0.000 0.829 1280 S HN -0.128 nan 8.310 nan 0.000 0.479 1281 R N 1.847 122.344 120.500 -0.006 0.000 2.532 1281 R HA 0.456 4.797 4.340 0.003 0.000 0.295 1281 R C 1.332 177.630 176.300 -0.004 0.000 0.968 1281 R CA 0.218 56.313 56.100 -0.010 0.000 0.916 1281 R CB 1.510 31.799 30.300 -0.018 0.000 1.124 1281 R HN 0.397 nan 8.270 nan 0.000 0.463 1282 S N 0.751 116.448 115.700 -0.005 0.000 2.348 1282 S HA -0.105 4.367 4.470 0.003 0.000 0.221 1282 S C 0.917 175.516 174.600 -0.003 0.000 1.033 1282 S CA 0.955 59.153 58.200 -0.003 0.000 1.010 1282 S CB -0.078 63.120 63.200 -0.004 0.000 0.891 1282 S HN 0.681 nan 8.310 nan 0.000 0.442 1283 S N 0.892 116.589 115.700 -0.006 0.000 2.632 1283 S HA 0.571 5.043 4.470 0.003 0.000 0.289 1283 S C -0.863 173.733 174.600 -0.007 0.000 1.115 1283 S CA -1.288 56.909 58.200 -0.005 0.000 0.889 1283 S CB 1.546 64.741 63.200 -0.008 0.000 1.116 1283 S HN 0.660 nan 8.310 nan 0.000 0.486 1284 K N 0.658 121.056 120.400 -0.003 0.000 2.382 1284 K HA 0.338 4.660 4.320 0.003 0.000 0.275 1284 K C -0.805 175.787 176.600 -0.013 0.000 1.009 1284 K CA -0.259 56.028 56.287 0.000 0.000 0.970 1284 K CB -0.036 32.468 32.500 0.008 0.000 0.934 1284 K HN 0.657 nan 8.250 nan 0.000 0.479 1285 I N 2.537 123.101 120.570 -0.010 0.000 2.307 1285 I HA 0.086 4.258 4.170 0.003 0.000 0.289 1285 I C 0.095 176.193 176.117 -0.032 0.000 1.021 1285 I CA -0.609 60.669 61.300 -0.037 0.000 1.224 1285 I CB 1.605 39.597 38.000 -0.013 0.000 1.376 1285 I HN 0.685 nan 8.210 nan 0.000 0.470 1286 T N 5.336 119.829 114.554 -0.102 0.000 2.902 1286 T HA 0.401 4.752 4.350 0.003 0.000 0.283 1286 T C -0.636 173.934 174.700 -0.218 0.000 1.009 1286 T CA -0.326 61.731 62.100 -0.072 0.000 1.051 1286 T CB 0.532 69.376 68.868 -0.040 0.000 0.999 1286 T HN 0.440 nan 8.240 nan 0.000 0.474 1287 H N 3.995 123.060 119.070 -0.009 0.000 2.658 1287 H HA 0.334 4.892 4.556 0.003 0.000 0.337 1287 H C -0.251 175.055 175.328 -0.036 0.000 1.009 1287 H CA -0.860 55.180 56.048 -0.014 0.000 1.231 1287 H CB 1.272 31.023 29.762 -0.018 0.000 1.508 1287 H HN 0.349 nan 8.280 nan 0.000 0.517 1288 R N 3.921 124.454 120.500 0.054 0.000 2.296 1288 R HA 0.288 4.629 4.340 0.003 0.000 0.327 1288 R C 0.041 176.236 176.300 -0.176 0.000 1.137 1288 R CA -0.386 55.675 56.100 -0.064 0.000 1.020 1288 R CB 0.051 30.390 30.300 0.065 0.000 1.110 1288 R HN 0.526 nan 8.270 nan 0.000 0.499 1289 I N 4.819 125.251 120.570 -0.230 0.000 2.312 1289 I HA 0.163 4.335 4.170 0.003 0.000 0.291 1289 I C 0.711 176.644 176.117 -0.307 0.000 1.031 1289 I CA -0.111 61.085 61.300 -0.172 0.000 1.293 1289 I CB 0.432 38.386 38.000 -0.076 0.000 1.403 1289 I HN 0.285 nan 8.210 nan 0.000 0.484 1290 H N 5.035 124.143 119.070 0.063 0.000 2.737 1290 H HA 0.059 4.617 4.556 0.003 0.000 0.358 1290 H C 0.341 175.735 175.328 0.110 0.000 1.187 1290 H CA -0.678 55.432 56.048 0.103 0.000 1.221 1290 H CB 1.969 31.791 29.762 0.100 0.000 1.799 1290 H HN 0.737 nan 8.280 nan 0.000 0.568 1291 W N 2.621 123.995 121.300 0.123 0.000 2.335 1291 W HA -0.178 4.484 4.660 0.003 0.000 0.311 1291 W C 1.395 177.890 176.519 -0.040 0.000 1.213 1291 W CA 2.069 59.406 57.345 -0.015 0.000 1.274 1291 W CB 0.195 29.604 29.460 -0.086 0.000 1.148 1291 W HN 0.748 nan 8.180 nan 0.000 0.498 1292 E N 0.405 120.638 120.200 0.054 0.000 2.265 1292 E HA -0.167 4.185 4.350 0.003 0.000 0.196 1292 E C 1.438 177.963 176.600 -0.125 0.000 0.996 1292 E CA 1.556 57.914 56.400 -0.070 0.000 0.832 1292 E CB -0.969 28.774 29.700 0.072 0.000 0.756 1292 E HN 0.306 nan 8.360 nan 0.000 0.491 1293 S N -0.762 114.901 115.700 -0.061 0.000 2.711 1293 S HA 0.647 5.118 4.470 0.003 0.000 0.247 1293 S C 1.341 175.889 174.600 -0.087 0.000 1.079 1293 S CA -0.068 58.099 58.200 -0.055 0.000 1.050 1293 S CB 0.959 64.175 63.200 0.026 0.000 0.885 1293 S HN 0.318 nan 8.310 nan 0.000 0.498 1294 A N 2.879 125.590 122.820 -0.182 0.000 1.877 1294 A HA -0.063 4.258 4.320 0.003 0.000 0.216 1294 A C 2.392 179.886 177.584 -0.149 0.000 1.186 1294 A CA 1.923 53.854 52.037 -0.176 0.000 0.620 1294 A CB -1.242 17.577 19.000 -0.301 0.000 0.822 1294 A HN 0.933 nan 8.150 nan 0.000 0.443 1295 S N -0.710 114.883 115.700 -0.178 0.000 2.474 1295 S HA 0.045 4.517 4.470 0.003 0.000 0.235 1295 S C 0.731 175.277 174.600 -0.090 0.000 0.997 1295 S CA 0.400 58.521 58.200 -0.132 0.000 0.949 1295 S CB -0.843 62.272 63.200 -0.141 0.000 0.766 1295 S HN 0.470 nan 8.310 nan 0.000 0.517 1296 L N 3.134 124.309 121.223 -0.080 0.000 2.601 1296 L HA 0.192 4.534 4.340 0.003 0.000 0.277 1296 L C 0.078 176.916 176.870 -0.053 0.000 1.219 1296 L CA 0.052 54.861 54.840 -0.053 0.000 0.915 1296 L CB 0.104 42.144 42.059 -0.032 0.000 1.160 1296 L HN 0.332 nan 8.230 nan 0.000 0.494 1297 L N 7.309 128.504 121.223 -0.047 0.000 2.295 1297 L HA 0.330 4.671 4.340 0.003 0.000 0.288 1297 L C -0.140 176.695 176.870 -0.058 0.000 1.079 1297 L CA -0.056 54.752 54.840 -0.053 0.000 0.830 1297 L CB 0.004 42.038 42.059 -0.043 0.000 1.200 1297 L HN 0.767 nan 8.230 nan 0.000 0.438 1298 R N 3.132 123.574 120.500 -0.096 0.000 2.265 1298 R HA 0.416 4.758 4.340 0.003 0.000 0.319 1298 R C -0.339 175.863 176.300 -0.162 0.000 1.006 1298 R CA -0.259 55.759 56.100 -0.138 0.000 0.880 1298 R CB 1.598 31.733 30.300 -0.275 0.000 1.077 1298 R HN 0.591 nan 8.270 nan 0.000 0.454 1299 S N 1.641 117.285 115.700 -0.094 0.000 2.542 1299 S HA 0.410 4.882 4.470 0.003 0.000 0.293 1299 S C -1.153 173.423 174.600 -0.040 0.000 1.089 1299 S CA -0.771 57.387 58.200 -0.071 0.000 0.961 1299 S CB 1.226 64.403 63.200 -0.038 0.000 1.062 1299 S HN 0.459 nan 8.310 nan 0.000 0.483 1300 E N 2.371 122.537 120.200 -0.056 0.000 2.246 1300 E HA 0.420 4.772 4.350 0.003 0.000 0.266 1300 E C -1.452 175.103 176.600 -0.075 0.000 0.880 1300 E CA -0.600 55.772 56.400 -0.047 0.000 0.762 1300 E CB 1.942 31.608 29.700 -0.057 0.000 1.180 1300 E HN 0.634 nan 8.360 nan 0.000 0.416 1301 E N 0.623 120.790 120.200 -0.055 0.000 2.183 1301 E HA 0.548 4.900 4.350 0.003 0.000 0.271 1301 E C -0.683 175.880 176.600 -0.061 0.000 0.919 1301 E CA -0.681 55.689 56.400 -0.051 0.000 0.781 1301 E CB 2.190 31.877 29.700 -0.021 0.000 1.140 1301 E HN 0.198 nan 8.360 nan 0.000 0.402 1302 T N 1.464 115.980 114.554 -0.064 0.000 2.921 1302 T HA 0.229 4.580 4.350 0.003 0.000 0.297 1302 T C 0.369 175.055 174.700 -0.024 0.000 1.013 1302 T CA -0.720 61.346 62.100 -0.057 0.000 0.990 1302 T CB 0.604 69.411 68.868 -0.101 0.000 1.023 1302 T HN 0.249 nan 8.240 nan 0.000 0.447 1303 K N 1.980 122.375 120.400 -0.009 0.000 2.103 1303 K HA 0.076 4.397 4.320 0.003 0.000 0.204 1303 K C 0.548 177.150 176.600 0.003 0.000 1.052 1303 K CA 0.854 57.147 56.287 0.010 0.000 0.945 1303 K CB 0.151 32.663 32.500 0.019 0.000 0.722 1303 K HN 0.627 nan 8.250 nan 0.000 0.443 1304 E N 1.606 121.800 120.200 -0.009 0.000 2.354 1304 E HA -0.006 4.346 4.350 0.003 0.000 0.269 1304 E C -0.068 176.522 176.600 -0.018 0.000 1.036 1304 E CA -0.260 56.130 56.400 -0.018 0.000 0.876 1304 E CB 0.399 30.089 29.700 -0.016 0.000 1.009 1304 E HN -0.053 nan 8.360 nan 0.000 0.416 1305 N N 2.688 121.364 118.700 -0.041 0.000 3.188 1305 N HA 0.007 4.748 4.740 0.003 0.000 0.279 1305 N C -1.025 174.468 175.510 -0.029 0.000 1.213 1305 N CA 0.076 53.100 53.050 -0.043 0.000 1.138 1305 N CB 0.078 38.505 38.487 -0.101 0.000 1.417 1305 N HN 0.392 nan 8.380 nan 0.000 0.526 1306 E N 0.152 120.369 120.200 0.029 0.000 2.272 1306 E HA 0.550 4.902 4.350 0.003 0.000 0.269 1306 E C -0.074 176.604 176.600 0.129 0.000 0.877 1306 E CA -1.117 55.307 56.400 0.039 0.000 0.755 1306 E CB 1.173 30.889 29.700 0.025 0.000 1.192 1306 E HN 0.476 nan 8.360 nan 0.000 0.422 1307 G N 2.419 111.249 108.800 0.050 0.000 2.559 1307 G HA2 0.331 4.292 3.960 0.003 0.000 0.235 1307 G HA3 0.331 4.292 3.960 0.003 0.000 0.235 1307 G C -0.581 174.388 174.900 0.114 0.000 1.266 1307 G CA 0.166 45.263 45.100 -0.006 0.000 0.847 1307 G HN 0.402 nan 8.290 nan 0.000 0.583 1308 F N -1.605 118.330 119.950 -0.026 0.000 2.685 1308 F HA 0.780 5.308 4.527 0.003 0.000 0.315 1308 F C -0.349 175.442 175.800 -0.015 0.000 1.126 1308 F CA -1.384 56.605 58.000 -0.018 0.000 0.950 1308 F CB 1.254 40.246 39.000 -0.014 0.000 1.360 1308 F HN 0.442 nan 8.300 nan 0.000 0.469 1309 T N 1.533 116.199 114.554 0.186 0.000 2.829 1309 T HA 0.656 5.007 4.350 0.003 0.000 0.280 1309 T C -1.102 173.696 174.700 0.163 0.000 0.999 1309 T CA -0.665 61.483 62.100 0.080 0.000 0.983 1309 T CB 1.826 70.721 68.868 0.045 0.000 0.968 1309 T HN 0.576 nan 8.240 nan 0.000 0.446 1310 V N 3.296 123.271 119.914 0.103 0.000 2.378 1310 V HA 0.487 4.609 4.120 0.003 0.000 0.288 1310 V C 0.006 176.136 176.094 0.060 0.000 1.016 1310 V CA -0.694 61.675 62.300 0.115 0.000 0.840 1310 V CB 1.657 33.557 31.823 0.129 0.000 0.994 1310 V HN 0.995 nan 8.190 nan 0.000 0.431 1311 T N 4.423 119.011 114.554 0.057 0.000 2.779 1311 T HA 0.786 5.138 4.350 0.003 0.000 0.280 1311 T C -0.099 174.623 174.700 0.036 0.000 0.987 1311 T CA -0.301 61.821 62.100 0.038 0.000 0.966 1311 T CB 1.626 70.514 68.868 0.033 0.000 0.933 1311 T HN 0.926 nan 8.240 nan 0.000 0.442 1312 A N 3.481 126.317 122.820 0.027 0.000 2.414 1312 A HA 0.864 5.186 4.320 0.003 0.000 0.306 1312 A C -0.714 176.881 177.584 0.018 0.000 1.054 1312 A CA -0.893 51.158 52.037 0.023 0.000 0.724 1312 A CB 1.340 20.352 19.000 0.020 0.000 1.267 1312 A HN 0.863 nan 8.150 nan 0.000 0.418 1313 E N 1.161 121.371 120.200 0.016 0.000 2.372 1313 E HA 0.679 5.031 4.350 0.003 0.000 0.279 1313 E C -0.194 176.414 176.600 0.013 0.000 0.946 1313 E CA -0.597 55.812 56.400 0.015 0.000 0.769 1313 E CB 1.673 31.383 29.700 0.016 0.000 1.230 1313 E HN 2.227 nan 8.360 nan 0.000 0.442 1314 G N 1.426 110.235 108.800 0.016 0.000 2.343 1314 G HA2 -0.015 3.947 3.960 0.003 0.000 0.562 1314 G HA3 -0.015 3.947 3.960 0.003 0.000 0.562 1314 G C -1.366 173.547 174.900 0.022 0.000 1.269 1314 G CA -0.891 44.219 45.100 0.018 0.000 1.011 1314 G HN 0.487 nan 8.290 nan 0.000 0.498 1315 K N 0.043 120.459 120.400 0.027 0.000 2.087 1315 K HA 0.686 5.007 4.320 0.003 0.000 0.255 1315 K C 0.562 177.187 176.600 0.042 0.000 0.988 1315 K CA 0.294 56.599 56.287 0.031 0.000 0.915 1315 K CB 1.455 33.971 32.500 0.026 0.000 1.043 1315 K HN 2.278 nan 8.250 nan 0.000 0.457 1316 G N 0.909 109.737 108.800 0.047 0.000 2.592 1316 G HA2 -0.162 3.800 3.960 0.003 0.000 0.684 1316 G HA3 -0.162 3.800 3.960 0.003 0.000 0.684 1316 G C -1.448 173.481 174.900 0.050 0.000 1.291 1316 G CA -0.910 44.230 45.100 0.066 0.000 0.891 1316 G HN 0.502 nan 8.290 nan 0.000 0.544 1317 Q N -0.845 118.988 119.800 0.055 0.000 2.387 1317 Q HA 0.726 5.068 4.340 0.003 0.000 0.273 1317 Q C 0.276 176.291 176.000 0.024 0.000 1.089 1317 Q CA -0.489 55.335 55.803 0.036 0.000 0.824 1317 Q CB 2.388 31.149 28.738 0.038 0.000 1.367 1317 Q HN 1.388 nan 8.270 nan 0.000 0.443 1318 G N 0.028 108.834 108.800 0.011 0.000 2.727 1318 G HA2 0.692 4.654 3.960 0.003 0.000 0.289 1318 G HA3 0.692 4.654 3.960 0.003 0.000 0.289 1318 G C -1.301 173.596 174.900 -0.005 0.000 1.418 1318 G CA -0.613 44.485 45.100 -0.002 0.000 0.818 1318 G HN 0.532 nan 8.290 nan 0.000 0.486 1319 T N -2.092 112.454 114.554 -0.014 0.000 2.861 1319 T HA 0.636 4.988 4.350 0.003 0.000 0.287 1319 T C -1.322 173.370 174.700 -0.014 0.000 1.003 1319 T CA -0.672 61.421 62.100 -0.012 0.000 0.977 1319 T CB 1.852 70.711 68.868 -0.015 0.000 0.996 1319 T HN 0.952 nan 8.240 nan 0.000 0.448 1320 L N 2.231 123.452 121.223 -0.003 0.000 2.343 1320 L HA 0.774 5.116 4.340 0.003 0.000 0.278 1320 L C -0.945 175.934 176.870 0.015 0.000 0.996 1320 L CA -0.168 54.677 54.840 0.008 0.000 0.831 1320 L CB 1.834 43.907 42.059 0.023 0.000 1.232 1320 L HN 0.867 nan 8.230 nan 0.000 0.413 1321 S N 3.860 119.570 115.700 0.017 0.000 2.532 1321 S HA 0.769 5.240 4.470 0.003 0.000 0.299 1321 S C -0.989 173.639 174.600 0.047 0.000 1.105 1321 S CA -0.585 57.628 58.200 0.023 0.000 1.018 1321 S CB 1.936 65.141 63.200 0.008 0.000 1.021 1321 S HN 0.382 nan 8.310 nan 0.000 0.483 1322 V N 3.755 123.708 119.914 0.065 0.000 2.378 1322 V HA 0.554 4.675 4.120 0.003 0.000 0.288 1322 V C -0.557 175.576 176.094 0.066 0.000 1.016 1322 V CA -0.570 61.792 62.300 0.103 0.000 0.840 1322 V CB 1.389 33.329 31.823 0.194 0.000 0.994 1322 V HN 0.683 nan 8.190 nan 0.000 0.431 1323 V N 3.475 123.422 119.914 0.054 0.000 2.604 1323 V HA 0.572 4.694 4.120 0.003 0.000 0.305 1323 V C 0.043 176.167 176.094 0.050 0.000 1.043 1323 V CA -0.391 61.936 62.300 0.045 0.000 0.888 1323 V CB 2.475 34.318 31.823 0.034 0.000 0.995 1323 V HN 0.856 nan 8.190 nan 0.000 0.429 1324 T N 5.581 120.171 114.554 0.059 0.000 2.791 1324 T HA 0.579 4.931 4.350 0.003 0.000 0.288 1324 T C -0.313 174.477 174.700 0.150 0.000 0.999 1324 T CA -0.371 61.770 62.100 0.070 0.000 0.952 1324 T CB 1.035 69.910 68.868 0.011 0.000 0.938 1324 T HN 0.417 nan 8.240 nan 0.000 0.444 1325 M N 4.500 124.178 119.600 0.130 0.000 2.144 1325 M HA 0.530 5.011 4.480 0.003 0.000 0.356 1325 M C -0.507 175.920 176.300 0.213 0.000 1.217 1325 M CA -0.503 54.875 55.300 0.131 0.000 1.087 1325 M CB 0.140 32.762 32.600 0.037 0.000 1.609 1325 M HN 0.729 nan 8.290 nan 0.000 0.467 1326 Y N -0.719 119.537 120.300 -0.073 0.000 2.689 1326 Y HA 0.561 5.113 4.550 0.003 0.000 0.333 1326 Y C -1.305 174.518 175.900 -0.128 0.000 1.208 1326 Y CA -1.349 56.728 58.100 -0.038 0.000 1.055 1326 Y CB 1.235 39.717 38.460 0.038 0.000 1.304 1326 Y HN 0.526 nan 8.280 nan 0.000 0.455 1327 H N 1.773 120.817 119.070 -0.043 0.000 2.640 1327 H HA 0.656 5.214 4.556 0.003 0.000 0.297 1327 H C -0.706 174.543 175.328 -0.131 0.000 1.073 1327 H CA -0.201 55.767 56.048 -0.134 0.000 1.305 1327 H CB 1.460 31.228 29.762 0.011 0.000 1.404 1327 H HN 0.842 nan 8.280 nan 0.000 0.459 1328 A N 4.427 127.105 122.820 -0.238 0.000 2.290 1328 A HA 0.247 4.569 4.320 0.003 0.000 0.310 1328 A C 0.229 177.844 177.584 0.051 0.000 1.202 1328 A CA -0.837 51.170 52.037 -0.049 0.000 0.837 1328 A CB 0.512 19.421 19.000 -0.151 0.000 1.139 1328 A HN 0.661 nan 8.150 nan 0.000 0.509 1329 K N 1.447 121.914 120.400 0.112 0.000 2.491 1329 K HA 0.205 4.527 4.320 0.003 0.000 0.279 1329 K C 0.247 176.893 176.600 0.077 0.000 1.026 1329 K CA 0.520 56.872 56.287 0.108 0.000 1.070 1329 K CB 0.392 32.962 32.500 0.118 0.000 0.887 1329 K HN 0.702 nan 8.250 nan 0.000 0.481 1330 A N 4.044 126.906 122.820 0.069 0.000 2.279 1330 A HA 0.087 4.408 4.320 0.003 0.000 0.306 1330 A C 1.097 178.709 177.584 0.047 0.000 1.300 1330 A CA -0.629 51.437 52.037 0.048 0.000 0.925 1330 A CB 0.222 19.246 19.000 0.041 0.000 1.152 1330 A HN 0.891 nan 8.150 nan 0.000 0.544 1331 K N 1.745 122.169 120.400 0.040 0.000 2.097 1331 K HA -0.075 4.247 4.320 0.003 0.000 0.206 1331 K C -0.420 176.196 176.600 0.027 0.000 1.049 1331 K CA 0.888 57.196 56.287 0.035 0.000 0.933 1331 K CB -0.167 32.352 32.500 0.031 0.000 0.717 1331 K HN 0.552 nan 8.250 nan 0.000 0.442 1332 D N 1.426 121.840 120.400 0.023 0.000 2.423 1332 D HA 0.116 4.758 4.640 0.003 0.000 0.255 1332 D C -0.099 176.214 176.300 0.021 0.000 1.174 1332 D CA -0.311 53.700 54.000 0.018 0.000 1.008 1332 D CB 0.662 41.469 40.800 0.013 0.000 1.101 1332 D HN -0.005 nan 8.370 nan 0.000 0.516 1333 Q N 0.960 120.771 119.800 0.018 0.000 2.288 1333 Q HA 0.103 4.445 4.340 0.003 0.000 0.258 1333 Q C 0.650 176.664 176.000 0.023 0.000 0.957 1333 Q CA -0.313 55.504 55.803 0.022 0.000 0.919 1333 Q CB 1.439 30.191 28.738 0.023 0.000 1.185 1333 Q HN 0.275 nan 8.270 nan 0.000 0.408 1334 L N 1.850 123.090 121.223 0.029 0.000 2.179 1334 L HA -0.049 4.293 4.340 0.003 0.000 0.208 1334 L C 1.329 178.220 176.870 0.036 0.000 1.096 1334 L CA 1.293 56.151 54.840 0.031 0.000 0.779 1334 L CB -0.655 41.426 42.059 0.037 0.000 0.922 1334 L HN 0.652 nan 8.230 nan 0.000 0.443 1335 T N -5.118 109.461 114.554 0.041 0.000 2.918 1335 T HA 0.289 4.641 4.350 0.003 0.000 0.283 1335 T C 0.715 175.447 174.700 0.054 0.000 1.001 1335 T CA -0.409 61.721 62.100 0.051 0.000 1.041 1335 T CB 1.158 70.062 68.868 0.059 0.000 1.028 1335 T HN 0.175 nan 8.240 nan 0.000 0.511 1336 c N 2.496 121.138 118.600 0.071 0.000 4.056 1336 c HA -0.100 4.472 4.570 0.003 0.000 0.302 1336 c C 1.685 175.805 174.090 0.050 0.000 1.356 1336 c CA 0.547 56.926 56.329 0.084 0.000 2.074 1336 c CB -3.308 39.252 42.510 0.084 0.000 1.328 1336 c HN 1.097 nan 8.230 nan 0.000 0.684 1337 N N 0.571 119.288 118.700 0.029 0.000 2.416 1337 N HA 0.018 4.759 4.740 0.003 0.000 0.177 1337 N C 1.756 177.221 175.510 -0.075 0.000 1.036 1337 N CA 1.091 54.133 53.050 -0.014 0.000 0.901 1337 N CB 0.141 38.621 38.487 -0.010 0.000 0.976 1337 N HN 0.670 nan 8.380 nan 0.000 0.444 1338 K N -1.312 119.037 120.400 -0.086 0.000 2.350 1338 K HA 0.162 4.484 4.320 0.003 0.000 0.196 1338 K C -0.364 175.983 176.600 -0.422 0.000 1.084 1338 K CA 0.210 56.325 56.287 -0.287 0.000 0.967 1338 K CB 0.793 33.145 32.500 -0.247 0.000 0.950 1338 K HN 0.053 nan 8.250 nan 0.000 0.512 1339 F N 1.475 121.435 119.950 0.018 0.000 2.520 1339 F HA 0.240 4.769 4.527 0.003 0.000 0.322 1339 F C -0.240 175.580 175.800 0.034 0.000 1.103 1339 F CA -1.158 56.875 58.000 0.055 0.000 0.926 1339 F CB 1.825 40.886 39.000 0.102 0.000 1.154 1339 F HN -0.240 nan 8.300 nan 0.000 0.453 1340 D N 3.837 124.398 120.400 0.268 0.000 2.232 1340 D HA 0.419 5.060 4.640 0.003 0.000 0.242 1340 D C -0.947 175.436 176.300 0.139 0.000 1.093 1340 D CA 0.072 54.166 54.000 0.155 0.000 0.845 1340 D CB 1.740 42.603 40.800 0.105 0.000 1.124 1340 D HN 0.354 nan 8.370 nan 0.000 0.467 1341 L N 2.587 123.865 121.223 0.092 0.000 2.381 1341 L HA 0.439 4.781 4.340 0.003 0.000 0.274 1341 L C -0.916 175.975 176.870 0.034 0.000 0.988 1341 L CA -0.655 54.214 54.840 0.050 0.000 0.824 1341 L CB 1.186 43.264 42.059 0.031 0.000 1.263 1341 L HN 0.121 nan 8.230 nan 0.000 0.410 1342 K N 4.812 125.222 120.400 0.016 0.000 2.535 1342 K HA 0.499 4.821 4.320 0.003 0.000 0.253 1342 K C -1.385 175.204 176.600 -0.018 0.000 0.953 1342 K CA -0.622 55.670 56.287 0.008 0.000 0.863 1342 K CB 2.584 35.088 32.500 0.008 0.000 1.111 1342 K HN 0.255 nan 8.250 nan 0.000 0.431 1343 V N 2.298 122.204 119.914 -0.013 0.000 2.398 1343 V HA 0.338 4.459 4.120 0.003 0.000 0.286 1343 V C -0.082 175.977 176.094 -0.058 0.000 1.026 1343 V CA -0.455 61.810 62.300 -0.059 0.000 0.868 1343 V CB 1.718 33.522 31.823 -0.031 0.000 0.982 1343 V HN 0.751 nan 8.190 nan 0.000 0.443 1344 T N 5.524 120.004 114.554 -0.122 0.000 2.841 1344 T HA 0.712 5.064 4.350 0.003 0.000 0.283 1344 T C -1.222 173.373 174.700 -0.175 0.000 1.000 1344 T CA -0.401 61.638 62.100 -0.102 0.000 0.977 1344 T CB 1.180 70.002 68.868 -0.077 0.000 0.979 1344 T HN 0.473 nan 8.240 nan 0.000 0.446 1345 I N 4.121 124.619 120.570 -0.119 0.000 2.466 1345 I HA 0.620 4.792 4.170 0.003 0.000 0.289 1345 I C -1.155 174.909 176.117 -0.087 0.000 1.026 1345 I CA -0.364 60.850 61.300 -0.143 0.000 1.078 1345 I CB 1.285 39.234 38.000 -0.086 0.000 1.249 1345 I HN 0.629 nan 8.210 nan 0.000 0.429 1346 K N 7.405 127.748 120.400 -0.095 0.000 2.464 1346 K HA 0.591 4.912 4.320 0.003 0.000 0.253 1346 K C -2.690 173.882 176.600 -0.048 0.000 0.933 1346 K CA -1.787 54.464 56.287 -0.060 0.000 0.801 1346 K CB 1.777 34.244 32.500 -0.055 0.000 1.271 1346 K HN 0.248 nan 8.250 nan 0.000 0.430 1347 P HA -0.058 nan 4.420 nan 0.000 0.264 1347 P C -1.072 176.224 177.300 -0.007 0.000 1.183 1347 P CA 0.041 63.138 63.100 -0.005 0.000 0.763 1347 P CB 0.553 32.253 31.700 0.000 0.000 0.807 1348 A N 4.954 127.777 122.820 0.005 0.000 2.354 1348 A HA 0.533 4.855 4.320 0.003 0.000 0.269 1348 A C -1.616 175.974 177.584 0.010 0.000 1.109 1348 A CA -0.918 51.121 52.037 0.004 0.000 0.800 1348 A CB -1.185 17.824 19.000 0.016 0.000 1.045 1348 A HN 0.448 nan 8.150 nan 0.000 0.489 1360 N N 1.093 119.745 118.700 -0.080 0.000 3.265 1360 N HA 0.359 5.101 4.740 0.003 0.000 0.235 1360 N C -1.877 173.651 175.510 0.031 0.000 1.343 1360 N CA -0.213 52.828 53.050 -0.015 0.000 0.904 1360 N CB 2.453 40.950 38.487 0.017 0.000 1.492 1360 N HN 0.324 nan 8.380 nan 0.000 0.504 1361 T N 1.761 116.371 114.554 0.093 0.000 2.912 1361 T HA 0.647 4.998 4.350 0.003 0.000 0.299 1361 T C -0.423 174.333 174.700 0.093 0.000 1.052 1361 T CA -0.430 61.740 62.100 0.118 0.000 0.996 1361 T CB 1.532 70.498 68.868 0.163 0.000 1.070 1361 T HN 0.430 nan 8.240 nan 0.000 0.465 1362 M N 1.987 121.627 119.600 0.067 0.000 2.618 1362 M HA 0.579 5.061 4.480 0.003 0.000 0.281 1362 M C -1.461 174.785 176.300 -0.090 0.000 1.267 1362 M CA -0.842 54.466 55.300 0.013 0.000 0.845 1362 M CB 2.646 35.275 32.600 0.047 0.000 1.732 1362 M HN 0.447 nan 8.290 nan 0.000 0.461 1363 I N 2.548 123.041 120.570 -0.129 0.000 2.339 1363 I HA 0.303 4.475 4.170 0.003 0.000 0.290 1363 I C -1.216 174.714 176.117 -0.312 0.000 0.994 1363 I CA -0.826 60.350 61.300 -0.207 0.000 1.191 1363 I CB 1.527 39.441 38.000 -0.144 0.000 1.343 1363 I HN 0.364 nan 8.210 nan 0.000 0.458 1364 L N 7.918 128.831 121.223 -0.516 0.000 2.262 1364 L HA 0.408 4.750 4.340 0.003 0.000 0.288 1364 L C -0.273 176.257 176.870 -0.567 0.000 1.035 1364 L CA 0.087 54.532 54.840 -0.658 0.000 0.820 1364 L CB 0.928 42.410 42.059 -0.962 0.000 1.204 1364 L HN 0.559 nan 8.230 nan 0.000 0.424 1365 E N 5.401 125.381 120.200 -0.365 0.000 2.165 1365 E HA 0.484 4.836 4.350 0.003 0.000 0.266 1365 E C -1.312 175.177 176.600 -0.185 0.000 0.889 1365 E CA -0.533 55.729 56.400 -0.231 0.000 0.756 1365 E CB 1.124 30.732 29.700 -0.153 0.000 1.131 1365 E HN 0.677 nan 8.360 nan 0.000 0.411 1366 I N 4.518 125.010 120.570 -0.131 0.000 2.378 1366 I HA 0.350 4.522 4.170 0.003 0.000 0.291 1366 I C -0.646 175.441 176.117 -0.050 0.000 0.992 1366 I CA -0.917 60.328 61.300 -0.091 0.000 1.154 1366 I CB 1.417 39.373 38.000 -0.072 0.000 1.315 1366 I HN 0.552 nan 8.210 nan 0.000 0.448 1367 C N 3.709 122.987 119.300 -0.036 0.000 2.417 1367 C HA 0.769 5.231 4.460 0.003 0.000 0.324 1367 C C 0.396 175.389 174.990 0.005 0.000 1.240 1367 C CA -0.549 58.462 59.018 -0.011 0.000 1.632 1367 C CB 1.189 28.926 27.740 -0.005 0.000 2.241 1367 C HN 0.784 nan 8.230 nan 0.000 0.499 1368 T N 2.608 117.176 114.554 0.024 0.000 2.933 1368 T HA 0.690 5.041 4.350 0.003 0.000 0.305 1368 T C -1.277 173.498 174.700 0.126 0.000 1.092 1368 T CA -0.473 61.661 62.100 0.058 0.000 1.008 1368 T CB 1.196 70.058 68.868 -0.011 0.000 1.102 1368 T HN 0.889 nan 8.240 nan 0.000 0.469 1369 R N 2.760 123.388 120.500 0.213 0.000 2.604 1369 R HA 0.448 4.790 4.340 0.003 0.000 0.281 1369 R C -2.002 174.531 176.300 0.387 0.000 1.020 1369 R CA -0.776 55.473 56.100 0.249 0.000 0.899 1369 R CB 1.527 31.914 30.300 0.144 0.000 1.205 1369 R HN 0.705 nan 8.270 nan 0.000 0.450 1370 Y N 3.309 123.760 120.300 0.252 0.000 2.336 1370 Y HA 0.330 4.882 4.550 0.003 0.000 0.335 1370 Y C -0.339 175.578 175.900 0.029 0.000 1.046 1370 Y CA -0.362 57.799 58.100 0.102 0.000 1.198 1370 Y CB 0.914 39.448 38.460 0.123 0.000 1.182 1370 Y HN 0.440 nan 8.280 nan 0.000 0.502 1371 R N 5.053 125.132 120.500 -0.702 0.000 2.593 1371 R HA 0.492 4.833 4.340 0.003 0.000 0.282 1371 R C -0.284 175.540 176.300 -0.792 0.000 1.300 1371 R CA -0.051 55.732 56.100 -0.528 0.000 1.221 1371 R CB -0.038 30.054 30.300 -0.346 0.000 1.157 1371 R HN 0.901 nan 8.270 nan 0.000 0.555 1372 G N 0.454 108.950 108.800 -0.506 0.000 2.559 1372 G HA2 0.053 4.015 3.960 0.003 0.000 0.291 1372 G HA3 0.053 4.015 3.960 0.003 0.000 0.291 1372 G C -0.532 174.255 174.900 -0.187 0.000 1.424 1372 G CA -0.631 44.282 45.100 -0.313 0.000 0.786 1372 G HN 0.207 nan 8.290 nan 0.000 0.485 1373 D N -0.308 119.998 120.400 -0.157 0.000 2.144 1373 D HA 0.045 4.686 4.640 0.003 0.000 0.200 1373 D C 0.947 176.963 176.300 -0.474 0.000 0.978 1373 D CA 1.289 55.157 54.000 -0.220 0.000 0.833 1373 D CB 0.320 41.061 40.800 -0.099 0.000 0.961 1373 D HN 0.279 nan 8.370 nan 0.000 0.470 1374 Q N 0.512 120.124 119.800 -0.313 0.000 2.378 1374 Q HA 0.298 4.639 4.340 0.003 0.000 0.276 1374 Q C -0.731 175.206 176.000 -0.105 0.000 1.083 1374 Q CA -0.690 54.955 55.803 -0.263 0.000 0.856 1374 Q CB 1.213 29.905 28.738 -0.075 0.000 1.383 1374 Q HN -0.036 nan 8.270 nan 0.000 0.458 1375 D N 0.715 121.149 120.400 0.058 0.000 2.382 1375 D HA 0.314 4.955 4.640 0.003 0.000 0.240 1375 D C -0.332 175.874 176.300 -0.156 0.000 1.146 1375 D CA 0.172 54.247 54.000 0.125 0.000 0.897 1375 D CB 0.558 41.451 40.800 0.156 0.000 1.197 1375 D HN 0.544 nan 8.370 nan 0.000 0.432 1376 A N 1.023 123.615 122.820 -0.380 0.000 2.322 1376 A HA 0.522 4.844 4.320 0.003 0.000 0.269 1376 A C 0.791 178.312 177.584 -0.106 0.000 1.094 1376 A CA -0.538 51.150 52.037 -0.582 0.000 0.807 1376 A CB 0.155 18.699 19.000 -0.760 0.000 1.047 1376 A HN 0.606 nan 8.150 nan 0.000 0.487 1377 T N -0.135 114.442 114.554 0.039 0.000 2.801 1377 T HA 0.448 4.799 4.350 0.003 0.000 0.324 1377 T C 0.655 175.467 174.700 0.187 0.000 1.088 1377 T CA -0.600 61.606 62.100 0.177 0.000 0.975 1377 T CB -0.109 68.991 68.868 0.385 0.000 1.316 1377 T HN 0.524 nan 8.240 nan 0.000 0.533 1378 M N 1.873 121.601 119.600 0.212 0.000 2.336 1378 M HA 0.083 4.565 4.480 0.003 0.000 0.371 1378 M C -0.068 176.330 176.300 0.164 0.000 1.542 1378 M CA 0.435 55.820 55.300 0.142 0.000 0.959 1378 M CB -0.485 32.133 32.600 0.030 0.000 2.033 1378 M HN 0.551 nan 8.290 nan 0.000 0.472 1379 S N 3.385 119.107 115.700 0.037 0.000 2.607 1379 S HA 0.774 5.246 4.470 0.003 0.000 0.303 1379 S C -0.547 173.915 174.600 -0.231 0.000 1.086 1379 S CA -0.809 57.317 58.200 -0.123 0.000 0.995 1379 S CB 1.614 64.695 63.200 -0.198 0.000 1.084 1379 S HN 0.446 nan 8.310 nan 0.000 0.507 1380 I N 1.407 121.650 120.570 -0.544 0.000 2.441 1380 I HA 0.406 4.578 4.170 0.003 0.000 0.295 1380 I C -0.749 175.014 176.117 -0.589 0.000 0.994 1380 I CA -0.155 60.767 61.300 -0.629 0.000 1.144 1380 I CB 1.303 38.809 38.000 -0.823 0.000 1.314 1380 I HN 0.431 nan 8.210 nan 0.000 0.445 1381 L N 5.239 126.204 121.223 -0.429 0.000 2.371 1381 L HA 0.320 4.662 4.340 0.003 0.000 0.262 1381 L C -0.514 176.230 176.870 -0.210 0.000 1.054 1381 L CA -0.407 54.265 54.840 -0.280 0.000 0.924 1381 L CB 0.385 42.318 42.059 -0.209 0.000 1.295 1381 L HN 0.505 nan 8.230 nan 0.000 0.441 1382 D N 4.227 124.554 120.400 -0.122 0.000 2.359 1382 D HA 0.244 4.886 4.640 0.003 0.000 0.250 1382 D C -0.287 175.995 176.300 -0.030 0.000 1.264 1382 D CA 0.189 54.162 54.000 -0.046 0.000 0.911 1382 D CB 0.443 41.283 40.800 0.066 0.000 1.056 1382 D HN 0.252 nan 8.370 nan 0.000 0.499 1383 I N 2.180 122.736 120.570 -0.024 0.000 2.441 1383 I HA 0.218 4.390 4.170 0.003 0.000 0.295 1383 I C 0.185 176.334 176.117 0.054 0.000 0.994 1383 I CA -0.806 60.518 61.300 0.039 0.000 1.144 1383 I CB 1.832 39.885 38.000 0.089 0.000 1.314 1383 I HN 0.242 nan 8.210 nan 0.000 0.445 1384 S N 6.607 122.353 115.700 0.076 0.000 2.478 1384 S HA 0.600 5.072 4.470 0.003 0.000 0.312 1384 S C -0.371 174.292 174.600 0.105 0.000 1.094 1384 S CA -1.022 57.210 58.200 0.054 0.000 1.081 1384 S CB 1.536 64.734 63.200 -0.003 0.000 1.007 1384 S HN 0.373 nan 8.310 nan 0.000 0.475 1385 M N 2.913 122.586 119.600 0.122 0.000 2.240 1385 M HA 0.283 4.764 4.480 0.003 0.000 0.333 1385 M C 0.352 176.699 176.300 0.078 0.000 1.110 1385 M CA 0.172 55.578 55.300 0.177 0.000 1.173 1385 M CB 0.050 32.776 32.600 0.210 0.000 1.458 1385 M HN 0.718 nan 8.290 nan 0.000 0.458 1386 M N 1.271 120.894 119.600 0.038 0.000 2.243 1386 M HA 0.085 4.567 4.480 0.003 0.000 0.341 1386 M C 0.602 176.984 176.300 0.136 0.000 1.130 1386 M CA -0.146 55.120 55.300 -0.057 0.000 1.162 1386 M CB 0.067 32.467 32.600 -0.333 0.000 1.497 1386 M HN 0.707 nan 8.290 nan 0.000 0.456 1387 T N 0.014 114.646 114.554 0.130 0.000 2.778 1387 T HA 0.276 4.628 4.350 0.003 0.000 0.282 1387 T C 1.139 176.049 174.700 0.350 0.000 0.983 1387 T CA 0.217 62.428 62.100 0.185 0.000 1.193 1387 T CB -0.163 68.796 68.868 0.152 0.000 0.938 1387 T HN 1.066 nan 8.240 nan 0.000 0.523 1388 G N 2.099 111.099 108.800 0.333 0.000 2.141 1388 G HA2 -0.180 3.781 3.960 0.003 0.000 0.231 1388 G HA3 -0.180 3.781 3.960 0.003 0.000 0.231 1388 G C -0.153 174.950 174.900 0.338 0.000 0.984 1388 G CA -0.420 44.912 45.100 0.386 0.000 0.660 1388 G HN 0.718 nan 8.290 nan 0.000 0.525 1389 F N 0.516 120.567 119.950 0.167 0.000 2.561 1389 F HA 0.790 5.318 4.527 0.002 0.000 0.321 1389 F C 0.393 176.287 175.800 0.157 0.000 1.065 1389 F CA -0.285 57.815 58.000 0.166 0.000 0.934 1389 F CB 2.487 41.572 39.000 0.140 0.000 1.215 1389 F HN 0.437 nan 8.300 nan 0.000 0.471 1390 A N 2.690 125.694 122.820 0.307 0.000 2.547 1390 A HA 0.763 5.085 4.320 0.003 0.000 0.297 1390 A C -3.044 174.681 177.584 0.235 0.000 1.056 1390 A CA -1.806 50.372 52.037 0.234 0.000 0.688 1390 A CB 1.559 20.669 19.000 0.183 0.000 1.282 1390 A HN 0.341 nan 8.150 nan 0.000 0.400 1391 P HA 0.243 nan 4.420 nan 0.000 0.271 1391 P C -0.819 176.582 177.300 0.168 0.000 1.233 1391 P CA 0.112 63.345 63.100 0.222 0.000 0.789 1391 P CB 0.502 32.193 31.700 -0.014 0.000 0.951 1392 D N -0.707 119.796 120.400 0.172 0.000 2.264 1392 D HA 0.096 4.738 4.640 0.003 0.000 0.250 1392 D C 1.177 177.538 176.300 0.102 0.000 1.113 1392 D CA -0.049 54.080 54.000 0.216 0.000 0.871 1392 D CB 0.606 41.570 40.800 0.273 0.000 1.167 1392 D HN 0.312 nan 8.370 nan 0.000 0.447 1393 T N 0.579 115.190 114.554 0.096 0.000 2.759 1393 T HA -0.200 4.151 4.350 0.003 0.000 0.269 1393 T C 1.173 175.885 174.700 0.021 0.000 1.042 1393 T CA 1.088 63.208 62.100 0.034 0.000 1.140 1393 T CB -0.128 68.765 68.868 0.043 0.000 0.864 1393 T HN 0.336 nan 8.240 nan 0.000 0.455 1394 D N 1.609 122.039 120.400 0.050 0.000 2.097 1394 D HA -0.075 4.567 4.640 0.003 0.000 0.195 1394 D C 2.018 178.338 176.300 0.033 0.000 0.989 1394 D CA 1.197 55.221 54.000 0.039 0.000 0.827 1394 D CB -0.504 40.327 40.800 0.051 0.000 0.966 1394 D HN 0.361 nan 8.370 nan 0.000 0.456 1395 D N 0.277 120.710 120.400 0.054 0.000 2.144 1395 D HA -0.055 4.586 4.640 0.003 0.000 0.200 1395 D C 2.377 178.675 176.300 -0.004 0.000 0.978 1395 D CA 0.261 54.294 54.000 0.055 0.000 0.833 1395 D CB -0.133 40.743 40.800 0.127 0.000 0.961 1395 D HN 0.218 nan 8.370 nan 0.000 0.470 1396 L N 0.558 121.742 121.223 -0.064 0.000 2.046 1396 L HA -0.156 4.185 4.340 0.003 0.000 0.208 1396 L C 2.320 179.140 176.870 -0.082 0.000 1.077 1396 L CA 1.109 55.867 54.840 -0.136 0.000 0.747 1396 L CB -0.287 41.663 42.059 -0.182 0.000 0.896 1396 L HN -0.018 nan 8.230 nan 0.000 0.432 1397 K N -0.486 119.886 120.400 -0.047 0.000 2.097 1397 K HA -0.218 4.103 4.320 0.003 0.000 0.206 1397 K C 2.200 178.790 176.600 -0.016 0.000 1.049 1397 K CA 1.019 57.288 56.287 -0.030 0.000 0.933 1397 K CB -0.153 32.338 32.500 -0.015 0.000 0.717 1397 K HN 0.241 nan 8.250 nan 0.000 0.442 1398 Q N 0.957 120.753 119.800 -0.007 0.000 2.172 1398 Q HA -0.063 4.279 4.340 0.003 0.000 0.200 1398 Q C 2.024 178.026 176.000 0.003 0.000 0.964 1398 Q CA 1.131 56.936 55.803 0.004 0.000 0.855 1398 Q CB 0.115 28.862 28.738 0.015 0.000 0.918 1398 Q HN 0.372 nan 8.270 nan 0.000 0.444 1399 L N -0.240 120.976 121.223 -0.010 0.000 2.179 1399 L HA -0.063 4.278 4.340 0.003 0.000 0.208 1399 L C 2.454 179.317 176.870 -0.012 0.000 1.096 1399 L CA 0.818 55.651 54.840 -0.012 0.000 0.779 1399 L CB -0.482 41.556 42.059 -0.035 0.000 0.922 1399 L HN 0.105 nan 8.230 nan 0.000 0.443 1400 A N -0.314 122.489 122.820 -0.028 0.000 1.972 1400 A HA -0.120 4.202 4.320 0.003 0.000 0.219 1400 A C 0.918 178.519 177.584 0.028 0.000 1.169 1400 A CA 0.845 52.872 52.037 -0.017 0.000 0.635 1400 A CB -0.614 18.359 19.000 -0.045 0.000 0.810 1400 A HN 0.398 nan 8.150 nan 0.000 0.446 1401 N N 1.090 119.802 118.700 0.020 0.000 2.429 1401 N HA 0.266 5.007 4.740 0.003 0.000 0.271 1401 N C 1.317 176.848 175.510 0.035 0.000 1.272 1401 N CA 1.043 54.110 53.050 0.028 0.000 0.921 1401 N CB 0.147 38.645 38.487 0.018 0.000 1.128 1401 N HN 0.487 nan 8.380 nan 0.000 0.481 1402 G N 2.076 110.903 108.800 0.045 0.000 2.686 1402 G HA2 -0.424 3.537 3.960 0.003 0.000 0.359 1402 G HA3 -0.424 3.537 3.960 0.003 0.000 0.359 1402 G C 0.670 175.595 174.900 0.041 0.000 1.222 1402 G CA 0.977 46.102 45.100 0.041 0.000 0.956 1402 G HN 1.074 nan 8.290 nan 0.000 0.565 1403 V N 0.278 120.210 119.914 0.030 0.000 3.473 1403 V HA -0.345 3.777 4.120 0.003 0.000 0.186 1403 V C 0.898 177.013 176.094 0.034 0.000 0.493 1403 V CA 2.604 64.921 62.300 0.028 0.000 1.050 1403 V CB -1.747 30.091 31.823 0.025 0.000 1.180 1403 V HN 1.894 nan 8.190 nan 0.000 1.120 1404 D N -0.601 119.822 120.400 0.038 0.000 2.911 1404 D HA -0.189 4.453 4.640 0.003 0.000 0.227 1404 D C 0.208 176.545 176.300 0.062 0.000 1.164 1404 D CA 1.420 55.446 54.000 0.044 0.000 0.782 1404 D CB -0.449 40.372 40.800 0.035 0.000 1.094 1404 D HN 0.809 nan 8.370 nan 0.000 0.425 1405 R N 0.669 121.215 120.500 0.076 0.000 2.476 1405 R HA 0.476 4.817 4.340 0.003 0.000 0.305 1405 R C -1.023 175.368 176.300 0.151 0.000 0.965 1405 R CA -0.765 55.388 56.100 0.090 0.000 0.867 1405 R CB 1.316 31.640 30.300 0.042 0.000 1.176 1405 R HN 0.160 nan 8.270 nan 0.000 0.447 1406 Y N 3.639 123.978 120.300 0.064 0.000 2.335 1406 Y HA 0.533 5.084 4.550 0.002 0.000 0.338 1406 Y C -0.816 175.177 175.900 0.155 0.000 0.977 1406 Y CA -1.067 57.078 58.100 0.074 0.000 1.114 1406 Y CB 1.192 39.669 38.460 0.028 0.000 1.182 1406 Y HN 0.543 nan 8.280 nan 0.000 0.463 1407 I N 6.466 126.687 120.570 -0.581 0.000 2.439 1407 I HA 0.222 4.394 4.170 0.003 0.000 0.283 1407 I C -0.247 175.423 176.117 -0.745 0.000 1.023 1407 I CA -0.908 60.075 61.300 -0.528 0.000 1.100 1407 I CB 1.675 39.525 38.000 -0.250 0.000 1.238 1407 I HN 0.760 nan 8.210 nan 0.000 0.445 1408 S N 5.036 120.312 115.700 -0.707 0.000 2.558 1408 S HA -0.022 4.450 4.470 0.003 0.000 0.291 1408 S C 1.205 175.747 174.600 -0.097 0.000 1.306 1408 S CA -0.268 57.739 58.200 -0.322 0.000 1.056 1408 S CB 1.159 64.352 63.200 -0.011 0.000 0.836 1408 S HN 0.849 nan 8.310 nan 0.000 0.504 1409 K N 1.831 122.233 120.400 0.003 0.000 2.113 1409 K HA -0.259 4.062 4.320 0.003 0.000 0.208 1409 K C 1.802 178.420 176.600 0.030 0.000 1.047 1409 K CA 1.750 58.046 56.287 0.015 0.000 0.928 1409 K CB -0.487 32.040 32.500 0.045 0.000 0.716 1409 K HN 0.841 nan 8.250 nan 0.000 0.446 1410 Y N 1.923 122.202 120.300 -0.034 0.000 2.193 1410 Y HA -0.259 4.293 4.550 0.003 0.000 0.285 1410 Y C 1.915 177.785 175.900 -0.051 0.000 1.166 1410 Y CA 1.995 60.076 58.100 -0.032 0.000 1.181 1410 Y CB 0.065 38.518 38.460 -0.013 0.000 0.976 1410 Y HN 0.193 nan 8.280 nan 0.000 0.520 1411 E N 0.208 120.408 120.200 -0.001 0.000 2.107 1411 E HA -0.139 4.212 4.350 0.003 0.000 0.191 1411 E C 2.311 178.816 176.600 -0.159 0.000 0.982 1411 E CA 1.244 57.585 56.400 -0.098 0.000 0.809 1411 E CB -0.432 29.241 29.700 -0.045 0.000 0.756 1411 E HN 0.556 nan 8.360 nan 0.000 0.459 1412 L N 1.057 122.205 121.223 -0.126 0.000 2.141 1412 L HA -0.182 4.160 4.340 0.003 0.000 0.209 1412 L C 1.889 178.685 176.870 -0.124 0.000 1.094 1412 L CA 1.000 55.772 54.840 -0.113 0.000 0.763 1412 L CB -0.319 41.690 42.059 -0.083 0.000 0.908 1412 L HN -0.027 nan 8.230 nan 0.000 0.437 1413 D N 0.137 120.443 120.400 -0.157 0.000 2.117 1413 D HA -0.078 4.564 4.640 0.003 0.000 0.198 1413 D C 0.645 176.823 176.300 -0.203 0.000 0.982 1413 D CA 0.744 54.647 54.000 -0.163 0.000 0.828 1413 D CB -0.075 40.624 40.800 -0.169 0.000 0.967 1413 D HN 0.177 nan 8.370 nan 0.000 0.464 1414 K N 1.402 121.637 120.400 -0.275 0.000 2.504 1414 K HA 0.182 4.504 4.320 0.003 0.000 0.278 1414 K C 0.276 176.739 176.600 -0.230 0.000 1.025 1414 K CA -0.090 56.032 56.287 -0.275 0.000 1.093 1414 K CB 0.461 32.788 32.500 -0.288 0.000 0.873 1414 K HN 0.021 nan 8.250 nan 0.000 0.483 1415 A N 3.002 125.645 122.820 -0.294 0.000 2.346 1415 A HA 0.131 4.452 4.320 0.003 0.000 0.255 1415 A C 1.013 178.356 177.584 -0.402 0.000 1.113 1415 A CA -0.251 51.533 52.037 -0.421 0.000 0.798 1415 A CB -0.205 18.390 19.000 -0.674 0.000 1.073 1415 A HN 0.746 nan 8.150 nan 0.000 0.502 1416 F N 0.064 119.916 119.950 -0.164 0.000 2.373 1416 F HA 0.027 4.557 4.527 0.005 0.000 0.300 1416 F C 1.287 176.927 175.800 -0.267 0.000 1.080 1416 F CA 0.692 58.584 58.000 -0.180 0.000 1.417 1416 F CB -0.909 37.980 39.000 -0.186 0.000 1.070 1416 F HN 0.265 nan 8.300 nan 0.000 0.546 1417 S N 0.615 115.991 115.700 -0.540 0.000 2.565 1417 S HA 0.186 4.658 4.470 0.003 0.000 0.274 1417 S C 0.163 174.628 174.600 -0.226 0.000 1.309 1417 S CA -0.584 57.387 58.200 -0.382 0.000 1.043 1417 S CB -0.012 62.918 63.200 -0.450 0.000 0.939 1417 S HN 0.393 nan 8.310 nan 0.000 0.504 1418 D N 1.479 121.799 120.400 -0.132 0.000 2.689 1418 D HA -0.168 4.473 4.640 0.003 0.000 0.237 1418 D C -0.067 176.174 176.300 -0.100 0.000 1.148 1418 D CA 0.856 54.792 54.000 -0.106 0.000 0.656 1418 D CB -0.767 39.961 40.800 -0.120 0.000 1.050 1418 D HN 0.638 nan 8.370 nan 0.000 0.426 1419 R N 1.354 121.815 120.500 -0.065 0.000 2.724 1419 R HA 0.149 4.491 4.340 0.003 0.000 0.284 1419 R C 0.701 177.004 176.300 0.006 0.000 1.481 1419 R CA -0.427 55.645 56.100 -0.047 0.000 1.652 1419 R CB 0.014 30.282 30.300 -0.054 0.000 1.175 1419 R HN -0.008 nan 8.270 nan 0.000 0.613 1420 N N -0.043 118.655 118.700 -0.003 0.000 2.280 1420 N HA -0.025 4.717 4.740 0.003 0.000 0.192 1420 N C -0.622 174.897 175.510 0.015 0.000 1.109 1420 N CA -0.098 52.967 53.050 0.024 0.000 0.855 1420 N CB 0.869 39.354 38.487 -0.002 0.000 0.974 1420 N HN 0.309 nan 8.380 nan 0.000 0.482 1421 T N -1.607 112.945 114.554 -0.003 0.000 2.881 1421 T HA 0.641 4.993 4.350 0.003 0.000 0.290 1421 T C -0.956 173.734 174.700 -0.017 0.000 1.000 1421 T CA -0.912 61.184 62.100 -0.006 0.000 0.978 1421 T CB 2.009 70.867 68.868 -0.016 0.000 0.997 1421 T HN 0.078 nan 8.240 nan 0.000 0.443 1422 L N 2.643 123.850 121.223 -0.027 0.000 2.445 1422 L HA 0.783 5.125 4.340 0.003 0.000 0.262 1422 L C -1.853 174.951 176.870 -0.110 0.000 0.974 1422 L CA -1.052 53.743 54.840 -0.075 0.000 0.822 1422 L CB 1.856 43.848 42.059 -0.112 0.000 1.339 1422 L HN 0.863 nan 8.230 nan 0.000 0.409 1423 I N 5.761 126.236 120.570 -0.159 0.000 2.418 1423 I HA 0.456 4.628 4.170 0.003 0.000 0.287 1423 I C -0.811 175.068 176.117 -0.397 0.000 1.008 1423 I CA -0.453 60.668 61.300 -0.299 0.000 1.104 1423 I CB 1.806 39.603 38.000 -0.338 0.000 1.264 1423 I HN 0.470 nan 8.210 nan 0.000 0.438 1424 I N 6.556 126.874 120.570 -0.420 0.000 2.382 1424 I HA 0.297 4.468 4.170 0.003 0.000 0.285 1424 I C -0.978 174.929 176.117 -0.350 0.000 1.007 1424 I CA -0.645 60.467 61.300 -0.314 0.000 1.142 1424 I CB 1.067 38.953 38.000 -0.190 0.000 1.289 1424 I HN 0.400 nan 8.210 nan 0.000 0.453 1425 Y N 6.489 126.756 120.300 -0.055 0.000 2.316 1425 Y HA 0.482 5.033 4.550 0.002 0.000 0.331 1425 Y C 0.061 175.966 175.900 0.009 0.000 1.083 1425 Y CA -0.538 57.561 58.100 -0.002 0.000 1.206 1425 Y CB 0.818 39.358 38.460 0.134 0.000 1.195 1425 Y HN 0.304 nan 8.280 nan 0.000 0.497 1426 L N 3.347 124.629 121.223 0.098 0.000 2.322 1426 L HA 0.374 4.716 4.340 0.003 0.000 0.281 1426 L C 0.127 177.037 176.870 0.067 0.000 1.014 1426 L CA -0.776 54.100 54.840 0.059 0.000 0.815 1426 L CB 1.683 43.740 42.059 -0.004 0.000 1.247 1426 L HN 0.602 nan 8.230 nan 0.000 0.421 1427 D N 1.528 121.963 120.400 0.059 0.000 2.149 1427 D HA -0.114 4.527 4.640 0.003 0.000 0.198 1427 D C 0.167 176.493 176.300 0.044 0.000 0.990 1427 D CA 1.619 55.643 54.000 0.039 0.000 0.839 1427 D CB 0.197 41.012 40.800 0.025 0.000 0.948 1427 D HN 0.564 nan 8.370 nan 0.000 0.460 1428 K N -1.817 118.610 120.400 0.046 0.000 2.639 1428 K HA 0.443 4.765 4.320 0.003 0.000 0.279 1428 K C -1.442 175.194 176.600 0.060 0.000 0.976 1428 K CA -0.996 55.322 56.287 0.052 0.000 0.861 1428 K CB 1.552 34.082 32.500 0.049 0.000 1.436 1428 K HN -0.118 nan 8.250 nan 0.000 0.400 1429 V N -1.639 118.327 119.914 0.087 0.000 2.715 1429 V HA 0.661 4.782 4.120 0.003 0.000 0.310 1429 V C -0.109 176.087 176.094 0.171 0.000 1.054 1429 V CA -0.667 61.711 62.300 0.130 0.000 0.928 1429 V CB 1.609 33.547 31.823 0.192 0.000 1.007 1429 V HN 0.864 nan 8.190 nan 0.000 0.437 1430 S N 1.584 117.379 115.700 0.159 0.000 2.580 1430 S HA 0.277 4.749 4.470 0.003 0.000 0.274 1430 S C 0.840 175.584 174.600 0.240 0.000 1.329 1430 S CA 0.136 58.431 58.200 0.158 0.000 1.036 1430 S CB 0.224 63.468 63.200 0.074 0.000 0.919 1430 S HN 1.249 nan 8.310 nan 0.000 0.515 1431 H N 2.436 121.612 119.070 0.177 0.000 2.586 1431 H HA 0.352 4.909 4.556 0.003 0.000 0.273 1431 H C 0.806 176.196 175.328 0.103 0.000 0.997 1431 H CA 0.250 56.409 56.048 0.185 0.000 1.177 1431 H CB -0.083 29.822 29.762 0.239 0.000 1.471 1431 H HN 0.491 nan 8.280 nan 0.000 0.538 1432 S N 0.189 115.658 115.700 -0.384 0.000 2.441 1432 S HA 0.042 4.514 4.470 0.003 0.000 0.224 1432 S C 0.618 175.149 174.600 -0.115 0.000 1.043 1432 S CA 0.463 58.459 58.200 -0.340 0.000 0.948 1432 S CB 0.510 63.531 63.200 -0.299 0.000 0.810 1432 S HN 0.775 nan 8.310 nan 0.000 0.504 1433 E N 0.300 120.471 120.200 -0.049 0.000 2.458 1433 E HA 0.439 4.790 4.350 0.003 0.000 0.278 1433 E C -2.195 174.422 176.600 0.029 0.000 1.004 1433 E CA -0.972 55.424 56.400 -0.007 0.000 0.823 1433 E CB 0.483 30.176 29.700 -0.011 0.000 1.396 1433 E HN -0.218 nan 8.360 nan 0.000 0.463 1434 D N 0.861 121.278 120.400 0.029 0.000 2.350 1434 D HA 0.233 4.875 4.640 0.003 0.000 0.249 1434 D C -1.059 175.262 176.300 0.035 0.000 1.119 1434 D CA 0.172 54.196 54.000 0.041 0.000 0.886 1434 D CB 0.706 41.523 40.800 0.029 0.000 1.195 1434 D HN 0.216 nan 8.370 nan 0.000 0.437 1435 D N 1.736 122.163 120.400 0.044 0.000 2.412 1435 D HA 0.198 4.840 4.640 0.003 0.000 0.224 1435 D C -0.500 175.810 176.300 0.016 0.000 1.093 1435 D CA -0.255 53.764 54.000 0.032 0.000 0.850 1435 D CB 0.455 41.280 40.800 0.041 0.000 1.046 1435 D HN 0.202 nan 8.370 nan 0.000 0.507 1436 C N 3.409 122.714 119.300 0.009 0.000 2.329 1436 C HA 0.740 5.201 4.460 0.003 0.000 0.329 1436 C C 0.006 174.996 174.990 0.000 0.000 1.275 1436 C CA -0.888 58.129 59.018 -0.002 0.000 1.726 1436 C CB -0.420 27.315 27.740 -0.008 0.000 2.291 1436 C HN 0.537 nan 8.230 nan 0.000 0.514 1437 L N 1.490 122.713 121.223 -0.001 0.000 2.371 1437 L HA 1.092 5.434 4.340 0.003 0.000 0.262 1437 L C -0.473 176.404 176.870 0.012 0.000 1.006 1437 L CA -0.682 54.169 54.840 0.019 0.000 0.818 1437 L CB 1.498 43.580 42.059 0.038 0.000 1.354 1437 L HN 0.767 nan 8.230 nan 0.000 0.415 1438 A N 1.577 124.418 122.820 0.035 0.000 2.572 1438 A HA 0.943 5.264 4.320 0.003 0.000 0.295 1438 A C -1.324 176.314 177.584 0.090 0.000 1.072 1438 A CA -0.390 51.631 52.037 -0.027 0.000 0.691 1438 A CB 1.383 20.333 19.000 -0.083 0.000 1.291 1438 A HN 1.372 nan 8.150 nan 0.000 0.404 1439 F N -0.862 119.042 119.950 -0.076 0.000 2.686 1439 F HA 0.787 5.316 4.527 0.003 0.000 0.311 1439 F C -0.651 175.096 175.800 -0.089 0.000 1.128 1439 F CA -1.075 56.885 58.000 -0.067 0.000 0.946 1439 F CB 1.165 40.129 39.000 -0.060 0.000 1.336 1439 F HN 0.474 nan 8.300 nan 0.000 0.457 1440 K N 1.470 121.922 120.400 0.087 0.000 2.118 1440 K HA 0.681 5.003 4.320 0.003 0.000 0.264 1440 K C -0.945 175.579 176.600 -0.127 0.000 1.000 1440 K CA -0.884 55.339 56.287 -0.106 0.000 0.929 1440 K CB 1.947 34.380 32.500 -0.110 0.000 1.021 1440 K HN 0.678 nan 8.250 nan 0.000 0.463 1441 V N -0.515 119.243 119.914 -0.260 0.000 2.656 1441 V HA 0.499 4.620 4.120 0.003 0.000 0.307 1441 V C -1.029 174.907 176.094 -0.264 0.000 1.051 1441 V CA -0.787 61.441 62.300 -0.120 0.000 0.893 1441 V CB 1.692 33.606 31.823 0.151 0.000 0.999 1441 V HN 0.697 nan 8.190 nan 0.000 0.426 1442 H N 3.208 122.350 119.070 0.120 0.000 2.538 1442 H HA 0.467 5.025 4.556 0.002 0.000 0.353 1442 H C -0.738 174.429 175.328 -0.268 0.000 1.109 1442 H CA -0.389 55.632 56.048 -0.044 0.000 1.192 1442 H CB 2.295 32.043 29.762 -0.024 0.000 1.555 1442 H HN 0.926 nan 8.280 nan 0.000 0.518 1443 Q N 2.377 121.908 119.800 -0.448 0.000 2.288 1443 Q HA 0.055 4.396 4.340 0.003 0.000 0.258 1443 Q C -0.529 175.357 176.000 -0.190 0.000 0.957 1443 Q CA -0.129 55.236 55.803 -0.730 0.000 0.919 1443 Q CB 0.548 28.734 28.738 -0.920 0.000 1.185 1443 Q HN 0.718 nan 8.270 nan 0.000 0.408 1444 Y N 4.440 124.649 120.300 -0.152 0.000 2.581 1444 Y HA 0.317 4.869 4.550 0.003 0.000 0.271 1444 Y C -0.844 175.088 175.900 0.054 0.000 1.100 1444 Y CA -0.331 57.760 58.100 -0.016 0.000 1.281 1444 Y CB 0.837 39.363 38.460 0.110 0.000 1.237 1444 Y HN 0.672 nan 8.280 nan 0.000 0.514 1445 F N 1.198 121.174 119.950 0.043 0.000 2.522 1445 F HA 0.442 4.971 4.527 0.003 0.000 0.324 1445 F C -0.734 175.068 175.800 0.003 0.000 1.077 1445 F CA -0.933 57.078 58.000 0.018 0.000 0.944 1445 F CB 1.038 40.113 39.000 0.124 0.000 1.175 1445 F HN -0.232 nan 8.300 nan 0.000 0.468 1446 N N 3.168 121.777 118.700 -0.153 0.000 2.407 1446 N HA 0.555 5.296 4.740 0.003 0.000 0.277 1446 N C -1.775 173.809 175.510 0.124 0.000 0.995 1446 N CA -0.219 52.822 53.050 -0.016 0.000 0.903 1446 N CB 1.880 40.281 38.487 -0.143 0.000 1.218 1446 N HN 0.503 nan 8.380 nan 0.000 0.487 1447 V N 2.825 122.859 119.914 0.200 0.000 3.078 1447 V HA 0.341 4.463 4.120 0.003 0.000 0.311 1447 V C 0.996 177.181 176.094 0.151 0.000 1.138 1447 V CA -0.607 61.816 62.300 0.205 0.000 1.007 1447 V CB 2.062 34.041 31.823 0.260 0.000 1.045 1447 V HN 0.831 nan 8.190 nan 0.000 0.432 1448 E N 3.840 124.116 120.200 0.126 0.000 2.028 1448 E HA 0.001 4.353 4.350 0.003 0.000 0.190 1448 E C 0.167 176.834 176.600 0.111 0.000 0.984 1448 E CA 0.655 57.115 56.400 0.101 0.000 0.800 1448 E CB 0.071 29.818 29.700 0.077 0.000 0.758 1448 E HN 0.328 nan 8.360 nan 0.000 0.448 1449 L N 2.254 123.550 121.223 0.123 0.000 2.255 1449 L HA 0.396 4.738 4.340 0.003 0.000 0.289 1449 L C -0.318 176.644 176.870 0.153 0.000 1.046 1449 L CA -0.326 54.585 54.840 0.118 0.000 0.816 1449 L CB 1.073 43.194 42.059 0.103 0.000 1.197 1449 L HN 0.253 nan 8.230 nan 0.000 0.427 1450 I N 3.802 124.468 120.570 0.161 0.000 2.321 1450 I HA 0.213 4.385 4.170 0.003 0.000 0.291 1450 I C 0.610 176.808 176.117 0.134 0.000 0.998 1450 I CA -0.519 60.896 61.300 0.192 0.000 1.227 1450 I CB 1.304 39.452 38.000 0.247 0.000 1.368 1450 I HN 0.486 nan 8.210 nan 0.000 0.466 1451 Q N 7.252 127.117 119.800 0.109 0.000 2.313 1451 Q HA 0.216 4.558 4.340 0.003 0.000 0.266 1451 Q C -2.210 173.805 176.000 0.025 0.000 0.989 1451 Q CA -1.631 54.196 55.803 0.039 0.000 0.890 1451 Q CB 0.797 29.576 28.738 0.069 0.000 1.200 1451 Q HN 0.296 nan 8.270 nan 0.000 0.396 1452 P HA -0.019 nan 4.420 nan 0.000 0.269 1452 P C -0.272 176.945 177.300 -0.138 0.000 1.209 1452 P CA 0.024 63.094 63.100 -0.050 0.000 0.776 1452 P CB 0.568 32.226 31.700 -0.070 0.000 0.876 1453 G N 0.881 109.351 108.800 -0.549 0.000 2.580 1453 G HA2 0.579 4.541 3.960 0.003 0.000 0.278 1453 G HA3 0.579 4.541 3.960 0.003 0.000 0.278 1453 G C -1.105 173.514 174.900 -0.469 0.000 1.212 1453 G CA -0.329 44.329 45.100 -0.737 0.000 0.939 1453 G HN 0.633 nan 8.290 nan 0.000 0.513 1454 A N -1.026 121.644 122.820 -0.249 0.000 2.515 1454 A HA 0.728 5.050 4.320 0.003 0.000 0.298 1454 A C -1.272 176.260 177.584 -0.087 0.000 1.059 1454 A CA -0.489 51.349 52.037 -0.332 0.000 0.698 1454 A CB 2.148 20.814 19.000 -0.557 0.000 1.289 1454 A HN 1.144 nan 8.150 nan 0.000 0.404 1455 V N 1.680 121.515 119.914 -0.131 0.000 2.577 1455 V HA 0.539 4.661 4.120 0.003 0.000 0.303 1455 V C -0.321 175.718 176.094 -0.093 0.000 1.042 1455 V CA -0.583 61.688 62.300 -0.049 0.000 0.872 1455 V CB 1.829 33.653 31.823 0.003 0.000 0.998 1455 V HN 0.910 nan 8.190 nan 0.000 0.423 1456 K N 3.935 124.303 120.400 -0.054 0.000 2.376 1456 K HA 0.800 5.122 4.320 0.003 0.000 0.257 1456 K C -1.089 175.514 176.600 0.005 0.000 0.939 1456 K CA -0.549 55.737 56.287 -0.001 0.000 0.809 1456 K CB 2.102 34.633 32.500 0.051 0.000 1.121 1456 K HN 0.625 nan 8.250 nan 0.000 0.425 1457 V N 1.696 121.594 119.914 -0.026 0.000 2.628 1457 V HA 0.800 4.922 4.120 0.003 0.000 0.306 1457 V C -1.269 174.763 176.094 -0.103 0.000 1.045 1457 V CA -0.632 61.520 62.300 -0.246 0.000 0.905 1457 V CB 0.663 32.201 31.823 -0.475 0.000 0.997 1457 V HN 0.856 nan 8.190 nan 0.000 0.436 1458 Y N 1.485 121.588 120.300 -0.327 0.000 2.638 1458 Y HA 0.850 5.401 4.550 0.002 0.000 0.334 1458 Y C -0.332 175.554 175.900 -0.024 0.000 1.182 1458 Y CA -0.858 57.219 58.100 -0.040 0.000 1.102 1458 Y CB 0.591 39.056 38.460 0.009 0.000 1.343 1458 Y HN 1.093 nan 8.280 nan 0.000 0.463 1459 A N 2.358 125.289 122.820 0.185 0.000 2.407 1459 A HA 0.349 4.670 4.320 0.003 0.000 0.248 1459 A C 0.590 178.033 177.584 -0.235 0.000 1.082 1459 A CA 0.007 51.926 52.037 -0.197 0.000 0.785 1459 A CB -0.251 18.301 19.000 -0.746 0.000 1.020 1459 A HN 1.295 nan 8.150 nan 0.000 0.489 1460 Y N 1.159 121.360 120.300 -0.165 0.000 2.165 1460 Y HA -0.327 4.224 4.550 0.002 0.000 0.286 1460 Y C 1.726 177.659 175.900 0.054 0.000 1.155 1460 Y CA 2.025 60.140 58.100 0.024 0.000 1.164 1460 Y CB -1.171 37.333 38.460 0.073 0.000 0.978 1460 Y HN 0.737 nan 8.280 nan 0.000 0.513 1461 Y N -0.257 119.545 120.300 -0.830 0.000 2.352 1461 Y HA 0.099 4.650 4.550 0.003 0.000 0.292 1461 Y C 0.329 176.136 175.900 -0.153 0.000 1.136 1461 Y CA 0.224 57.987 58.100 -0.562 0.000 1.227 1461 Y CB -0.518 37.517 38.460 -0.707 0.000 0.991 1461 Y HN 0.164 nan 8.280 nan 0.000 0.545 1462 N N 0.656 119.206 118.700 -0.250 0.000 2.461 1462 N HA 0.155 4.897 4.740 0.003 0.000 0.284 1462 N C -0.322 175.182 175.510 -0.009 0.000 1.049 1462 N CA -0.486 52.551 53.050 -0.021 0.000 0.889 1462 N CB 1.786 40.331 38.487 0.098 0.000 1.365 1462 N HN 0.279 nan 8.380 nan 0.000 0.499 1463 L N 3.940 125.138 121.223 -0.043 0.000 2.249 1463 L HA 0.317 4.659 4.340 0.003 0.000 0.207 1463 L C 1.544 178.320 176.870 -0.157 0.000 1.090 1463 L CA 1.571 56.280 54.840 -0.218 0.000 0.802 1463 L CB -0.145 41.755 42.059 -0.266 0.000 0.947 1463 L HN 0.585 nan 8.230 nan 0.000 0.453 1464 E N 0.021 120.189 120.200 -0.054 0.000 2.051 1464 E HA -0.186 4.166 4.350 0.003 0.000 0.192 1464 E C 0.395 177.007 176.600 0.021 0.000 0.991 1464 E CA 1.078 57.468 56.400 -0.017 0.000 0.799 1464 E CB -0.143 29.560 29.700 0.005 0.000 0.748 1464 E HN 0.543 nan 8.360 nan 0.000 0.449 1465 E N 1.769 122.003 120.200 0.056 0.000 1.842 1465 E HA 0.056 4.408 4.350 0.003 0.000 0.278 1465 E C -0.597 176.119 176.600 0.193 0.000 1.171 1465 E CA -0.338 56.122 56.400 0.101 0.000 1.127 1465 E CB 0.216 29.976 29.700 0.100 0.000 1.100 1465 E HN 0.098 nan 8.360 nan 0.000 0.456 1466 S N 0.434 116.233 115.700 0.166 0.000 2.704 1466 S HA 0.613 5.085 4.470 0.003 0.000 0.296 1466 S C -0.778 173.935 174.600 0.188 0.000 1.138 1466 S CA -0.997 57.343 58.200 0.233 0.000 0.875 1466 S CB 2.114 65.386 63.200 0.119 0.000 1.151 1466 S HN 0.350 nan 8.310 nan 0.000 0.500 1467 c N 1.763 120.466 118.600 0.172 0.000 2.446 1467 c HA 0.775 5.346 4.570 0.003 0.000 0.329 1467 c C -0.572 173.546 174.090 0.046 0.000 1.166 1467 c CA 0.036 56.435 56.329 0.117 0.000 1.341 1467 c CB 0.254 42.858 42.510 0.156 0.000 1.970 1467 c HN 0.946 nan 8.230 nan 0.000 0.452 1468 T N 6.356 120.919 114.554 0.015 0.000 2.779 1468 T HA 0.585 4.937 4.350 0.003 0.000 0.280 1468 T C -0.440 174.200 174.700 -0.100 0.000 0.987 1468 T CA -0.460 61.588 62.100 -0.086 0.000 0.966 1468 T CB 0.706 69.498 68.868 -0.128 0.000 0.933 1468 T HN 0.600 nan 8.240 nan 0.000 0.442 1469 R N 2.120 122.523 120.500 -0.162 0.000 2.534 1469 R HA 0.522 4.864 4.340 0.003 0.000 0.301 1469 R C -1.237 174.962 176.300 -0.169 0.000 0.961 1469 R CA -0.840 55.221 56.100 -0.065 0.000 0.871 1469 R CB 1.208 31.521 30.300 0.021 0.000 1.170 1469 R HN 0.515 nan 8.270 nan 0.000 0.446 1470 F N 3.378 123.366 119.950 0.064 0.000 2.422 1470 F HA 0.410 4.938 4.527 0.003 0.000 0.333 1470 F C 0.360 176.215 175.800 0.091 0.000 1.095 1470 F CA -0.604 57.410 58.000 0.025 0.000 1.038 1470 F CB 0.972 39.952 39.000 -0.034 0.000 1.156 1470 F HN 0.393 nan 8.300 nan 0.000 0.483 1471 Y N 0.415 120.813 120.300 0.164 0.000 2.545 1471 Y HA 0.747 5.298 4.550 0.002 0.000 0.348 1471 Y C -1.147 174.829 175.900 0.128 0.000 1.002 1471 Y CA -1.107 57.047 58.100 0.091 0.000 1.039 1471 Y CB 1.598 40.057 38.460 -0.003 0.000 1.271 1471 Y HN 0.708 nan 8.280 nan 0.000 0.467 1472 H N 1.747 120.870 119.070 0.088 0.000 3.094 1472 H HA 0.347 4.905 4.556 0.003 0.000 0.335 1472 H C -3.220 172.115 175.328 0.011 0.000 1.254 1472 H CA -1.651 54.384 56.048 -0.021 0.000 1.240 1472 H CB 2.710 32.432 29.762 -0.067 0.000 1.936 1472 H HN 0.624 nan 8.280 nan 0.000 0.536 1473 P HA 0.015 nan 4.420 nan 0.000 0.272 1473 P C -0.247 176.993 177.300 -0.101 0.000 1.243 1473 P CA 0.561 63.468 63.100 -0.322 0.000 0.803 1473 P CB 0.403 31.855 31.700 -0.414 0.000 0.974 1474 E N -3.107 117.074 120.200 -0.033 0.000 3.181 1474 E HA -0.160 4.191 4.350 0.003 0.000 0.293 1474 E C -0.445 176.182 176.600 0.045 0.000 0.936 1474 E CA 1.081 57.500 56.400 0.032 0.000 0.975 1474 E CB -1.524 28.227 29.700 0.085 0.000 1.496 1474 E HN 0.423 nan 8.360 nan 0.000 0.429 1475 K N 0.822 121.242 120.400 0.033 0.000 2.471 1475 K HA 0.392 4.713 4.320 0.003 0.000 0.252 1475 K C 0.470 177.079 176.600 0.016 0.000 0.938 1475 K CA -0.319 55.988 56.287 0.034 0.000 0.796 1475 K CB 1.876 34.409 32.500 0.056 0.000 1.161 1475 K HN 0.244 nan 8.250 nan 0.000 0.425 1485 R N -0.235 120.252 120.500 -0.022 0.000 2.254 1485 R HA 0.164 4.505 4.340 0.003 0.000 0.193 1485 R C -0.301 175.965 176.300 -0.056 0.000 0.929 1485 R CA -0.073 56.013 56.100 -0.023 0.000 1.038 1485 R CB 0.086 30.391 30.300 0.009 0.000 1.009 1485 R HN 0.798 nan 8.270 nan 0.000 0.512 1486 D N 1.953 122.294 120.400 -0.099 0.000 2.570 1486 D HA -0.114 4.527 4.640 0.003 0.000 0.243 1486 D C 1.083 177.300 176.300 -0.139 0.000 1.171 1486 D CA 0.601 54.488 54.000 -0.188 0.000 0.879 1486 D CB 0.870 41.535 40.800 -0.226 0.000 1.143 1486 D HN 0.130 nan 8.370 nan 0.000 0.511 1487 E N 2.818 122.940 120.200 -0.130 0.000 2.130 1487 E HA -0.220 4.132 4.350 0.003 0.000 0.196 1487 E C 1.558 178.095 176.600 -0.104 0.000 0.998 1487 E CA 1.086 57.429 56.400 -0.095 0.000 0.806 1487 E CB -0.205 29.449 29.700 -0.078 0.000 0.738 1487 E HN 0.423 nan 8.360 nan 0.000 0.459 1488 L N -0.120 121.020 121.223 -0.139 0.000 2.201 1488 L HA -0.055 4.286 4.340 0.003 0.000 0.212 1488 L C 2.462 179.256 176.870 -0.126 0.000 1.105 1488 L CA 1.507 56.264 54.840 -0.139 0.000 0.775 1488 L CB -0.649 41.299 42.059 -0.185 0.000 0.913 1488 L HN 0.529 nan 8.230 nan 0.000 0.440 1489 c N -0.840 117.684 118.600 -0.126 0.000 2.505 1489 c HA -0.035 4.536 4.570 0.003 0.000 0.279 1489 c C 2.922 176.964 174.090 -0.080 0.000 1.316 1489 c CA 0.189 56.456 56.329 -0.103 0.000 1.720 1489 c CB -0.604 41.848 42.510 -0.097 0.000 2.050 1489 c HN 0.481 nan 8.230 nan 0.000 0.493 1490 R N -0.200 120.254 120.500 -0.076 0.000 2.090 1490 R HA -0.123 4.219 4.340 0.003 0.000 0.228 1490 R C 2.402 178.663 176.300 -0.065 0.000 1.110 1490 R CA 1.693 57.754 56.100 -0.065 0.000 0.973 1490 R CB -1.015 29.248 30.300 -0.061 0.000 0.869 1490 R HN 0.705 nan 8.270 nan 0.000 0.440 1491 c N 0.729 119.291 118.600 -0.063 0.000 2.425 1491 c HA 0.002 4.574 4.570 0.003 0.000 0.277 1491 c C 2.821 176.881 174.090 -0.051 0.000 1.280 1491 c CA 0.936 57.235 56.329 -0.051 0.000 1.744 1491 c CB -0.863 41.624 42.510 -0.039 0.000 1.989 1491 c HN 0.543 nan 8.230 nan 0.000 0.491 1492 A N 0.728 123.513 122.820 -0.060 0.000 2.067 1492 A HA -0.101 4.220 4.320 0.003 0.000 0.219 1492 A C 1.955 179.506 177.584 -0.055 0.000 1.158 1492 A CA 1.529 53.530 52.037 -0.060 0.000 0.661 1492 A CB -0.631 18.326 19.000 -0.072 0.000 0.801 1492 A HN 0.923 nan 8.150 nan 0.000 0.452 1493 E N -0.535 119.632 120.200 -0.056 0.000 2.451 1493 E HA 0.138 4.489 4.350 0.003 0.000 0.194 1493 E C 0.758 177.308 176.600 -0.084 0.000 1.027 1493 E CA -0.042 56.328 56.400 -0.050 0.000 0.914 1493 E CB -0.006 29.673 29.700 -0.036 0.000 1.054 1493 E HN 0.647 nan 8.360 nan 0.000 0.461 1494 E N 1.019 121.167 120.200 -0.087 0.000 2.107 1494 E HA -0.057 4.295 4.350 0.003 0.000 0.191 1494 E C 0.807 177.330 176.600 -0.129 0.000 0.982 1494 E CA 0.659 56.990 56.400 -0.116 0.000 0.809 1494 E CB 0.114 29.765 29.700 -0.082 0.000 0.756 1494 E HN 0.233 nan 8.360 nan 0.000 0.459 1495 N N -0.236 118.417 118.700 -0.078 0.000 2.251 1495 N HA 0.043 4.784 4.740 0.003 0.000 0.217 1495 N C 0.794 176.297 175.510 -0.011 0.000 1.124 1495 N CA 0.016 53.034 53.050 -0.052 0.000 0.843 1495 N CB -0.041 38.430 38.487 -0.027 0.000 1.024 1495 N HN 0.111 nan 8.380 nan 0.000 0.501 1496 c N 0.317 118.913 118.600 -0.005 0.000 2.429 1496 c HA 0.019 4.591 4.570 0.003 0.000 0.277 1496 c C 0.914 175.173 174.090 0.281 0.000 1.262 1496 c CA 0.829 57.244 56.329 0.142 0.000 1.733 1496 c CB -1.172 41.478 42.510 0.234 0.000 2.010 1496 c HN 0.541 nan 8.230 nan 0.000 0.483 1497 F N -4.066 115.841 119.950 -0.071 0.000 2.900 1497 F HA 0.500 5.028 4.527 0.003 0.000 0.321 1497 F C -1.028 174.696 175.800 -0.126 0.000 1.160 1497 F CA -1.542 56.401 58.000 -0.095 0.000 0.890 1497 F CB 0.043 38.957 39.000 -0.145 0.000 1.334 1497 F HN -0.251 nan 8.300 nan 0.000 0.459 1498 I N 3.516 124.023 120.570 -0.105 0.000 2.792 1498 I HA -0.017 4.155 4.170 0.003 0.000 0.284 1498 I C -0.225 175.588 176.117 -0.507 0.000 1.166 1498 I CA 0.295 61.454 61.300 -0.234 0.000 1.375 1498 I CB 0.047 37.985 38.000 -0.103 0.000 1.421 1498 I HN 0.340 nan 8.210 nan 0.000 0.544 1499 Q N 7.777 127.253 119.800 -0.540 0.000 2.295 1499 Q HA 0.445 4.786 4.340 0.003 0.000 0.259 1499 Q C -0.465 175.340 176.000 -0.325 0.000 0.976 1499 Q CA 0.054 55.533 55.803 -0.540 0.000 0.923 1499 Q CB 1.758 30.229 28.738 -0.445 0.000 1.185 1499 Q HN 0.532 nan 8.270 nan 0.000 0.410 1500 K N 0.312 120.534 120.400 -0.296 0.000 2.660 1500 K HA 0.302 4.624 4.320 0.003 0.000 0.285 1500 K C -1.382 175.114 176.600 -0.174 0.000 0.997 1500 K CA -0.318 55.842 56.287 -0.213 0.000 0.861 1500 K CB 1.430 33.789 32.500 -0.235 0.000 1.469 1500 K HN 0.475 nan 8.250 nan 0.000 0.395 1501 S N 1.257 116.892 115.700 -0.109 0.000 2.462 1501 S HA 0.042 4.513 4.470 0.003 0.000 0.294 1501 S C 0.304 174.871 174.600 -0.055 0.000 1.144 1501 S CA -0.405 57.749 58.200 -0.077 0.000 1.088 1501 S CB 1.386 64.554 63.200 -0.052 0.000 1.009 1501 S HN 0.802 nan 8.310 nan 0.000 0.484 1502 D N 2.304 122.674 120.400 -0.050 0.000 2.228 1502 D HA -0.225 4.416 4.640 0.003 0.000 0.203 1502 D C 0.767 177.064 176.300 -0.007 0.000 0.988 1502 D CA 1.463 55.449 54.000 -0.023 0.000 0.864 1502 D CB 0.038 40.825 40.800 -0.022 0.000 0.928 1502 D HN 0.445 nan 8.370 nan 0.000 0.469 1503 D N 0.740 121.133 120.400 -0.012 0.000 2.097 1503 D HA -0.141 4.500 4.640 0.003 0.000 0.195 1503 D C 1.928 178.229 176.300 0.001 0.000 0.989 1503 D CA 1.113 55.109 54.000 -0.007 0.000 0.827 1503 D CB -0.191 40.602 40.800 -0.011 0.000 0.966 1503 D HN 0.438 nan 8.370 nan 0.000 0.456 1504 K N 0.707 121.108 120.400 0.001 0.000 2.211 1504 K HA 0.003 4.324 4.320 0.003 0.000 0.203 1504 K C 0.751 177.372 176.600 0.036 0.000 1.050 1504 K CA 0.228 56.522 56.287 0.011 0.000 0.945 1504 K CB 0.128 32.630 32.500 0.004 0.000 0.732 1504 K HN 0.004 nan 8.250 nan 0.000 0.451 1505 V N 3.000 122.947 119.914 0.054 0.000 2.572 1505 V HA 0.003 4.125 4.120 0.003 0.000 0.291 1505 V C 0.638 176.768 176.094 0.059 0.000 1.039 1505 V CA -0.090 62.275 62.300 0.107 0.000 1.055 1505 V CB 0.819 32.756 31.823 0.190 0.000 0.969 1505 V HN 0.371 nan 8.190 nan 0.000 0.482 1506 T N 1.981 116.566 114.554 0.050 0.000 2.942 1506 T HA 0.521 4.872 4.350 0.003 0.000 0.289 1506 T C 0.884 175.584 174.700 0.001 0.000 1.044 1506 T CA -0.704 61.407 62.100 0.018 0.000 1.023 1506 T CB 1.648 70.525 68.868 0.016 0.000 1.123 1506 T HN 0.360 nan 8.240 nan 0.000 0.512 1507 L N 0.530 121.752 121.223 -0.000 0.000 1.989 1507 L HA -0.082 4.259 4.340 0.003 0.000 0.211 1507 L C 2.811 179.697 176.870 0.027 0.000 1.071 1507 L CA 1.775 56.623 54.840 0.014 0.000 0.749 1507 L CB -0.433 41.643 42.059 0.029 0.000 0.890 1507 L HN 0.873 nan 8.230 nan 0.000 0.431 1508 E N -0.527 119.680 120.200 0.013 0.000 2.160 1508 E HA -0.323 4.028 4.350 0.003 0.000 0.195 1508 E C 1.954 178.551 176.600 -0.005 0.000 0.991 1508 E CA 1.493 57.895 56.400 0.003 0.000 0.810 1508 E CB -0.088 29.609 29.700 -0.006 0.000 0.742 1508 E HN 0.550 nan 8.360 nan 0.000 0.466 1509 E N 1.131 121.329 120.200 -0.004 0.000 2.077 1509 E HA -0.216 4.135 4.350 0.003 0.000 0.193 1509 E C 2.069 178.633 176.600 -0.060 0.000 0.989 1509 E CA 0.931 57.328 56.400 -0.005 0.000 0.800 1509 E CB 0.120 29.842 29.700 0.037 0.000 0.746 1509 E HN 0.148 nan 8.360 nan 0.000 0.452 1510 R N 0.129 120.565 120.500 -0.108 0.000 2.081 1510 R HA -0.095 4.246 4.340 0.003 0.000 0.235 1510 R C 2.653 178.888 176.300 -0.109 0.000 1.131 1510 R CA 1.306 57.248 56.100 -0.263 0.000 0.960 1510 R CB -0.364 29.607 30.300 -0.549 0.000 0.856 1510 R HN 0.272 nan 8.270 nan 0.000 0.436 1511 L N 0.638 121.905 121.223 0.073 0.000 2.083 1511 L HA -0.209 4.132 4.340 0.003 0.000 0.209 1511 L C 2.265 179.082 176.870 -0.089 0.000 1.083 1511 L CA 1.293 56.157 54.840 0.039 0.000 0.752 1511 L CB -0.519 41.551 42.059 0.018 0.000 0.899 1511 L HN 0.190 nan 8.230 nan 0.000 0.433 1512 D N 0.352 120.701 120.400 -0.084 0.000 2.097 1512 D HA -0.178 4.464 4.640 0.003 0.000 0.197 1512 D C 2.154 178.372 176.300 -0.137 0.000 0.984 1512 D CA 1.480 55.426 54.000 -0.089 0.000 0.826 1512 D CB 0.157 40.926 40.800 -0.051 0.000 0.973 1512 D HN 0.124 nan 8.370 nan 0.000 0.460 1513 K N -0.201 120.090 120.400 -0.181 0.000 2.062 1513 K HA 0.071 4.392 4.320 0.003 0.000 0.205 1513 K C 2.165 178.469 176.600 -0.492 0.000 1.051 1513 K CA 0.938 57.093 56.287 -0.219 0.000 0.941 1513 K CB -0.078 32.371 32.500 -0.086 0.000 0.719 1513 K HN 0.107 nan 8.250 nan 0.000 0.440 1514 A N 0.726 123.080 122.820 -0.776 0.000 1.930 1514 A HA -0.146 4.175 4.320 0.003 0.000 0.217 1514 A C 2.234 179.493 177.584 -0.542 0.000 1.175 1514 A CA 1.157 52.565 52.037 -1.049 0.000 0.627 1514 A CB -0.763 17.702 19.000 -0.893 0.000 0.815 1514 A HN 0.385 nan 8.150 nan 0.000 0.443 1515 c N 0.470 118.870 118.600 -0.334 0.000 2.456 1515 c HA 0.061 4.633 4.570 0.003 0.000 0.279 1515 c C 0.744 174.734 174.090 -0.168 0.000 1.427 1515 c CA -0.564 55.637 56.329 -0.213 0.000 1.778 1515 c CB -1.185 41.235 42.510 -0.151 0.000 1.842 1515 c HN 0.456 nan 8.230 nan 0.000 0.531 1516 E N 1.952 122.044 120.200 -0.179 0.000 2.502 1516 E HA -0.041 4.311 4.350 0.003 0.000 0.261 1516 E C -1.197 175.347 176.600 -0.094 0.000 0.974 1516 E CA -0.771 55.560 56.400 -0.114 0.000 0.936 1516 E CB 0.070 29.711 29.700 -0.098 0.000 0.926 1516 E HN 0.333 nan 8.360 nan 0.000 0.459 1517 P HA -0.202 nan 4.420 nan 0.000 0.216 1517 P C 1.330 178.623 177.300 -0.012 0.000 1.150 1517 P CA 1.587 64.671 63.100 -0.026 0.000 0.843 1517 P CB 0.121 31.815 31.700 -0.008 0.000 0.787 1518 G N 0.670 109.463 108.800 -0.011 0.000 2.476 1518 G HA2 -0.198 3.764 3.960 0.003 0.000 0.218 1518 G HA3 -0.198 3.764 3.960 0.003 0.000 0.218 1518 G C 0.652 175.555 174.900 0.004 0.000 1.164 1518 G CA 0.413 45.520 45.100 0.013 0.000 0.768 1518 G HN 0.242 nan 8.290 nan 0.000 0.560 1519 V N 1.494 121.374 119.914 -0.056 0.000 2.493 1519 V HA 0.085 4.207 4.120 0.003 0.000 0.292 1519 V C 1.117 177.170 176.094 -0.069 0.000 1.016 1519 V CA 0.891 63.122 62.300 -0.114 0.000 1.097 1519 V CB 1.294 32.925 31.823 -0.320 0.000 0.947 1519 V HN 0.414 nan 8.190 nan 0.000 0.479 1520 D N 3.148 123.543 120.400 -0.009 0.000 2.323 1520 D HA 0.085 4.727 4.640 0.003 0.000 0.218 1520 D C 0.182 176.601 176.300 0.198 0.000 0.973 1520 D CA 0.385 54.472 54.000 0.144 0.000 0.890 1520 D CB 0.408 41.392 40.800 0.306 0.000 1.011 1520 D HN 0.661 nan 8.370 nan 0.000 0.499 1521 Y N -1.565 118.772 120.300 0.062 0.000 2.512 1521 Y HA 0.691 5.243 4.550 0.003 0.000 0.348 1521 Y C -1.446 174.315 175.900 -0.232 0.000 0.990 1521 Y CA -1.459 56.573 58.100 -0.114 0.000 1.033 1521 Y CB 1.505 39.911 38.460 -0.090 0.000 1.259 1521 Y HN -0.289 nan 8.280 nan 0.000 0.461 1522 V N 3.933 123.656 119.914 -0.318 0.000 2.610 1522 V HA 0.386 4.508 4.120 0.003 0.000 0.298 1522 V C -1.607 174.458 176.094 -0.048 0.000 1.067 1522 V CA -0.855 61.390 62.300 -0.091 0.000 0.894 1522 V CB 0.859 32.724 31.823 0.071 0.000 1.015 1522 V HN 0.743 nan 8.190 nan 0.000 0.432 1523 Y N 1.814 122.368 120.300 0.422 0.000 2.499 1523 Y HA 0.551 5.102 4.550 0.003 0.000 0.347 1523 Y C 0.128 176.207 175.900 0.298 0.000 0.987 1523 Y CA -1.622 56.666 58.100 0.312 0.000 1.044 1523 Y CB 1.881 40.498 38.460 0.262 0.000 1.245 1523 Y HN 0.491 nan 8.280 nan 0.000 0.461 1524 K N 2.693 123.317 120.400 0.374 0.000 2.263 1524 K HA 0.381 4.703 4.320 0.003 0.000 0.282 1524 K C -0.741 175.935 176.600 0.126 0.000 1.089 1524 K CA -0.157 56.243 56.287 0.188 0.000 0.907 1524 K CB 0.239 32.683 32.500 -0.093 0.000 1.148 1524 K HN 0.912 nan 8.250 nan 0.000 0.470 1525 T N 1.214 115.859 114.554 0.152 0.000 2.918 1525 T HA 0.428 4.779 4.350 0.003 0.000 0.286 1525 T C -0.412 174.288 174.700 -0.001 0.000 1.026 1525 T CA -1.060 61.090 62.100 0.085 0.000 1.031 1525 T CB 1.862 70.774 68.868 0.073 0.000 1.046 1525 T HN 0.540 nan 8.240 nan 0.000 0.479 1526 R N 1.960 122.394 120.500 -0.111 0.000 2.439 1526 R HA 0.408 4.750 4.340 0.003 0.000 0.310 1526 R C -1.240 174.993 176.300 -0.111 0.000 0.955 1526 R CA -1.006 54.895 56.100 -0.332 0.000 0.853 1526 R CB 1.330 31.303 30.300 -0.545 0.000 1.171 1526 R HN 0.626 nan 8.270 nan 0.000 0.449 1527 L N 6.498 127.714 121.223 -0.013 0.000 2.515 1527 L HA 0.065 4.406 4.340 0.003 0.000 0.281 1527 L C 0.523 177.411 176.870 0.030 0.000 1.131 1527 L CA 0.598 55.476 54.840 0.062 0.000 0.905 1527 L CB 0.932 43.088 42.059 0.163 0.000 1.246 1527 L HN 0.586 nan 8.230 nan 0.000 0.463 1528 V N 4.153 124.086 119.914 0.031 0.000 2.407 1528 V HA 0.010 4.132 4.120 0.003 0.000 0.245 1528 V C 0.970 177.090 176.094 0.044 0.000 1.041 1528 V CA 1.286 63.600 62.300 0.024 0.000 1.040 1528 V CB -0.425 31.413 31.823 0.024 0.000 0.671 1528 V HN 0.837 nan 8.190 nan 0.000 0.455 1529 K N -0.729 119.710 120.400 0.065 0.000 2.527 1529 K HA 0.551 4.872 4.320 0.003 0.000 0.260 1529 K C -1.944 174.704 176.600 0.080 0.000 0.937 1529 K CA -0.521 55.803 56.287 0.061 0.000 0.826 1529 K CB 2.634 35.159 32.500 0.043 0.000 1.359 1529 K HN -0.122 nan 8.250 nan 0.000 0.434 1530 V N 4.012 123.962 119.914 0.061 0.000 2.350 1530 V HA 0.302 4.423 4.120 0.003 0.000 0.285 1530 V C -0.842 175.226 176.094 -0.043 0.000 1.014 1530 V CA -0.630 61.686 62.300 0.027 0.000 0.831 1530 V CB 1.314 33.193 31.823 0.092 0.000 1.000 1530 V HN 0.741 nan 8.190 nan 0.000 0.433 1531 Q N 5.154 124.889 119.800 -0.108 0.000 2.466 1531 Q HA 0.504 4.846 4.340 0.003 0.000 0.242 1531 Q C -0.740 175.182 176.000 -0.130 0.000 1.046 1531 Q CA -0.295 55.457 55.803 -0.085 0.000 0.841 1531 Q CB 1.542 30.250 28.738 -0.050 0.000 1.193 1531 Q HN 0.648 nan 8.270 nan 0.000 0.508 1532 L N 0.840 122.005 121.223 -0.096 0.000 2.417 1532 L HA 0.371 4.713 4.340 0.003 0.000 0.268 1532 L C 0.464 177.305 176.870 -0.048 0.000 1.158 1532 L CA 0.049 54.837 54.840 -0.088 0.000 0.819 1532 L CB 1.086 43.115 42.059 -0.050 0.000 1.112 1532 L HN 0.467 nan 8.230 nan 0.000 0.458 1533 S N -0.160 115.518 115.700 -0.038 0.000 2.720 1533 S HA 0.276 4.747 4.470 0.003 0.000 0.287 1533 S C 0.568 175.160 174.600 -0.013 0.000 1.168 1533 S CA -0.705 57.491 58.200 -0.007 0.000 0.832 1533 S CB 1.375 64.590 63.200 0.024 0.000 1.166 1533 S HN 0.755 nan 8.310 nan 0.000 0.493 1534 N N 1.110 119.810 118.700 -0.000 0.000 2.331 1534 N HA -0.042 4.699 4.740 0.003 0.000 0.180 1534 N C 0.219 175.700 175.510 -0.048 0.000 1.019 1534 N CA 1.293 54.335 53.050 -0.014 0.000 0.881 1534 N CB -0.274 38.216 38.487 0.004 0.000 0.972 1534 N HN 0.498 nan 8.380 nan 0.000 0.435 1535 D N -1.072 119.302 120.400 -0.043 0.000 2.766 1535 D HA 0.225 4.867 4.640 0.003 0.000 0.284 1535 D C -0.556 175.503 176.300 -0.402 0.000 1.050 1535 D CA 0.308 54.206 54.000 -0.170 0.000 0.945 1535 D CB 0.440 41.227 40.800 -0.021 0.000 1.272 1535 D HN 0.071 nan 8.370 nan 0.000 0.482 1536 F N 1.508 121.434 119.950 -0.039 0.000 2.529 1536 F HA 0.305 4.833 4.527 0.003 0.000 0.320 1536 F C -0.309 175.443 175.800 -0.081 0.000 1.118 1536 F CA -1.030 56.938 58.000 -0.053 0.000 0.915 1536 F CB 1.947 40.910 39.000 -0.062 0.000 1.161 1536 F HN -0.397 nan 8.300 nan 0.000 0.445 1537 D N 2.743 123.169 120.400 0.044 0.000 2.198 1537 D HA 0.246 4.888 4.640 0.003 0.000 0.245 1537 D C -0.563 175.557 176.300 -0.300 0.000 1.079 1537 D CA -0.276 53.618 54.000 -0.176 0.000 0.854 1537 D CB 1.582 42.216 40.800 -0.277 0.000 1.148 1537 D HN 0.554 nan 8.370 nan 0.000 0.456 1538 E N 1.328 121.322 120.200 -0.342 0.000 2.151 1538 E HA 0.278 4.630 4.350 0.003 0.000 0.275 1538 E C -0.842 175.538 176.600 -0.367 0.000 0.936 1538 E CA -0.671 55.592 56.400 -0.227 0.000 0.777 1538 E CB 1.215 30.881 29.700 -0.056 0.000 1.108 1538 E HN 0.332 nan 8.360 nan 0.000 0.401 1539 Y N 2.412 122.779 120.300 0.112 0.000 2.388 1539 Y HA 0.306 4.857 4.550 0.003 0.000 0.328 1539 Y C -0.227 175.757 175.900 0.141 0.000 0.963 1539 Y CA -1.011 57.141 58.100 0.086 0.000 1.240 1539 Y CB 0.474 38.948 38.460 0.023 0.000 1.118 1539 Y HN 0.415 nan 8.280 nan 0.000 0.484 1540 I N 4.946 125.639 120.570 0.206 0.000 2.372 1540 I HA 0.057 4.228 4.170 0.003 0.000 0.298 1540 I C -0.189 176.026 176.117 0.164 0.000 1.137 1540 I CA 0.223 61.627 61.300 0.173 0.000 1.314 1540 I CB -0.280 37.782 38.000 0.102 0.000 1.444 1540 I HN 0.447 nan 8.210 nan 0.000 0.541 1541 M N 5.055 124.787 119.600 0.219 0.000 2.233 1541 M HA 0.497 4.978 4.480 0.003 0.000 0.355 1541 M C 0.176 176.533 176.300 0.096 0.000 1.191 1541 M CA -0.482 54.899 55.300 0.134 0.000 1.101 1541 M CB 1.353 34.017 32.600 0.107 0.000 1.592 1541 M HN 0.531 nan 8.290 nan 0.000 0.461 1542 A N 4.876 127.716 122.820 0.034 0.000 2.252 1542 A HA 0.573 4.894 4.320 0.003 0.000 0.309 1542 A C 0.007 177.587 177.584 -0.006 0.000 1.285 1542 A CA -0.689 51.353 52.037 0.008 0.000 0.900 1542 A CB 0.153 19.147 19.000 -0.010 0.000 1.157 1542 A HN 0.714 nan 8.150 nan 0.000 0.536 1543 I N 3.501 124.053 120.570 -0.030 0.000 2.471 1543 I HA 0.011 4.182 4.170 0.003 0.000 0.294 1543 I C 1.036 177.144 176.117 -0.015 0.000 1.123 1543 I CA 0.653 61.921 61.300 -0.054 0.000 1.336 1543 I CB -0.829 37.064 38.000 -0.178 0.000 1.430 1543 I HN 0.828 nan 8.210 nan 0.000 0.533 1544 E N 4.102 124.308 120.200 0.011 0.000 2.170 1544 E HA -0.040 4.312 4.350 0.003 0.000 0.191 1544 E C 0.670 177.279 176.600 0.014 0.000 0.981 1544 E CA 0.543 56.946 56.400 0.006 0.000 0.830 1544 E CB 0.523 30.224 29.700 0.001 0.000 0.775 1544 E HN 0.621 nan 8.360 nan 0.000 0.470 1545 Q N 0.124 119.955 119.800 0.052 0.000 2.320 1545 Q HA 0.173 4.514 4.340 0.003 0.000 0.272 1545 Q C -1.574 174.541 176.000 0.191 0.000 1.023 1545 Q CA -0.322 55.533 55.803 0.086 0.000 0.855 1545 Q CB 2.124 30.894 28.738 0.054 0.000 1.367 1545 Q HN -0.135 nan 8.270 nan 0.000 0.406 1546 T N 5.191 119.861 114.554 0.194 0.000 3.151 1546 T HA 0.289 4.641 4.350 0.003 0.000 0.332 1546 T C 1.351 176.199 174.700 0.247 0.000 1.245 1546 T CA -0.156 62.132 62.100 0.313 0.000 1.019 1546 T CB -0.220 68.798 68.868 0.249 0.000 1.109 1546 T HN 0.549 nan 8.240 nan 0.000 0.621 1547 I N 0.962 121.686 120.570 0.258 0.000 2.226 1547 I HA -0.030 4.142 4.170 0.003 0.000 0.245 1547 I C 1.277 177.447 176.117 0.088 0.000 1.100 1547 I CA 1.201 62.591 61.300 0.149 0.000 1.374 1547 I CB 0.086 38.195 38.000 0.182 0.000 1.057 1547 I HN 0.328 nan 8.210 nan 0.000 0.413 1548 K N 0.755 121.223 120.400 0.114 0.000 2.565 1548 K HA 0.303 4.625 4.320 0.003 0.000 0.251 1548 K C -1.128 175.567 176.600 0.159 0.000 0.956 1548 K CA -0.408 55.927 56.287 0.081 0.000 0.809 1548 K CB 1.648 34.144 32.500 -0.008 0.000 1.267 1548 K HN 0.067 nan 8.250 nan 0.000 0.438 1549 S N 1.505 117.329 115.700 0.206 0.000 2.532 1549 S HA 0.842 5.314 4.470 0.003 0.000 0.301 1549 S C 0.109 174.850 174.600 0.235 0.000 1.083 1549 S CA -0.464 57.918 58.200 0.305 0.000 1.025 1549 S CB 1.975 65.359 63.200 0.307 0.000 1.056 1549 S HN 0.773 nan 8.310 nan 0.000 0.494 1550 G N 0.792 109.769 108.800 0.296 0.000 3.259 1550 G HA2 0.368 4.330 3.960 0.003 0.000 0.193 1550 G HA3 0.368 4.330 3.960 0.003 0.000 0.193 1550 G C 0.819 175.834 174.900 0.191 0.000 1.457 1550 G CA 0.036 45.276 45.100 0.234 0.000 0.771 1550 G HN 0.616 nan 8.290 nan 0.000 0.765 1551 S N 0.518 116.335 115.700 0.195 0.000 2.359 1551 S HA -0.065 4.407 4.470 0.003 0.000 0.224 1551 S C 0.858 175.410 174.600 -0.081 0.000 1.035 1551 S CA 1.383 59.592 58.200 0.015 0.000 1.018 1551 S CB -0.224 62.925 63.200 -0.086 0.000 0.876 1551 S HN 0.493 nan 8.310 nan 0.000 0.448 1552 D N 2.208 122.587 120.400 -0.035 0.000 2.374 1552 D HA 0.109 4.751 4.640 0.003 0.000 0.240 1552 D C -0.560 175.815 176.300 0.125 0.000 1.229 1552 D CA -0.053 53.934 54.000 -0.023 0.000 0.895 1552 D CB 0.242 41.099 40.800 0.094 0.000 1.046 1552 D HN 0.256 nan 8.370 nan 0.000 0.498 1553 E N 2.745 122.975 120.200 0.050 0.000 2.148 1553 E HA 0.087 4.439 4.350 0.003 0.000 0.308 1553 E C -0.131 176.502 176.600 0.055 0.000 1.278 1553 E CA -0.301 56.140 56.400 0.068 0.000 1.368 1553 E CB 0.748 30.467 29.700 0.031 0.000 1.229 1553 E HN 0.198 nan 8.360 nan 0.000 0.494 1554 V N 2.384 122.344 119.914 0.077 0.000 2.530 1554 V HA 0.030 4.152 4.120 0.003 0.000 0.282 1554 V C -0.086 176.012 176.094 0.006 0.000 1.048 1554 V CA -0.395 61.912 62.300 0.012 0.000 0.997 1554 V CB 1.202 32.986 31.823 -0.065 0.000 0.987 1554 V HN 0.396 nan 8.190 nan 0.000 0.477 1555 Q N 3.989 123.786 119.800 -0.005 0.000 2.212 1555 Q HA 0.446 4.788 4.340 0.003 0.000 0.238 1555 Q C -0.428 175.565 176.000 -0.011 0.000 0.955 1555 Q CA -0.612 55.193 55.803 0.003 0.000 0.906 1555 Q CB 1.738 30.478 28.738 0.005 0.000 1.215 1555 Q HN 0.617 nan 8.270 nan 0.000 0.478 1556 V N 0.985 120.901 119.914 0.003 0.000 2.529 1556 V HA 0.318 4.440 4.120 0.003 0.000 0.292 1556 V C 1.298 177.389 176.094 -0.005 0.000 1.028 1556 V CA 1.598 63.898 62.300 -0.000 0.000 1.074 1556 V CB 0.213 32.043 31.823 0.012 0.000 0.958 1556 V HN 1.076 nan 8.190 nan 0.000 0.481 1557 G N 3.558 112.352 108.800 -0.010 0.000 2.238 1557 G HA2 -0.176 3.786 3.960 0.003 0.000 0.217 1557 G HA3 -0.176 3.786 3.960 0.003 0.000 0.217 1557 G C 0.188 175.082 174.900 -0.009 0.000 0.996 1557 G CA -0.020 45.076 45.100 -0.007 0.000 0.632 1557 G HN 0.605 nan 8.290 nan 0.000 0.503 1558 Q N 0.220 120.010 119.800 -0.017 0.000 2.318 1558 Q HA 0.616 4.958 4.340 0.003 0.000 0.222 1558 Q C 0.048 176.040 176.000 -0.014 0.000 1.003 1558 Q CA 0.075 55.869 55.803 -0.015 0.000 0.936 1558 Q CB 0.577 29.303 28.738 -0.020 0.000 1.204 1558 Q HN 0.518 nan 8.270 nan 0.000 0.524 1559 Q N 0.778 120.580 119.800 0.004 0.000 2.353 1559 Q HA 0.508 4.849 4.340 0.003 0.000 0.268 1559 Q C -0.949 175.080 176.000 0.048 0.000 1.045 1559 Q CA -0.867 54.952 55.803 0.027 0.000 0.811 1559 Q CB 1.905 30.665 28.738 0.037 0.000 1.305 1559 Q HN 0.186 nan 8.270 nan 0.000 0.447 1560 R N 0.915 121.467 120.500 0.087 0.000 2.686 1560 R HA 0.508 4.849 4.340 0.003 0.000 0.286 1560 R C -0.948 175.459 176.300 0.178 0.000 0.969 1560 R CA -0.642 55.528 56.100 0.116 0.000 0.898 1560 R CB 2.086 32.438 30.300 0.087 0.000 1.183 1560 R HN 0.563 nan 8.270 nan 0.000 0.456 1561 T N 3.345 117.980 114.554 0.134 0.000 2.744 1561 T HA 0.457 4.808 4.350 0.003 0.000 0.291 1561 T C -0.178 174.603 174.700 0.135 0.000 0.957 1561 T CA -0.152 62.053 62.100 0.174 0.000 1.002 1561 T CB 0.155 69.097 68.868 0.123 0.000 0.919 1561 T HN 0.194 nan 8.240 nan 0.000 0.468 1562 F N 2.988 123.059 119.950 0.202 0.000 2.420 1562 F HA 0.559 5.088 4.527 0.003 0.000 0.342 1562 F C 0.484 176.434 175.800 0.249 0.000 1.113 1562 F CA -0.992 57.148 58.000 0.234 0.000 1.059 1562 F CB 0.907 40.010 39.000 0.172 0.000 1.128 1562 F HN 0.329 nan 8.300 nan 0.000 0.475 1563 I N 2.000 122.761 120.570 0.319 0.000 2.603 1563 I HA 0.582 4.754 4.170 0.003 0.000 0.300 1563 I C -0.327 175.960 176.117 0.283 0.000 1.017 1563 I CA -0.635 60.800 61.300 0.224 0.000 1.098 1563 I CB 2.123 40.140 38.000 0.028 0.000 1.279 1563 I HN 0.476 nan 8.210 nan 0.000 0.437 1564 S N 5.379 121.278 115.700 0.332 0.000 2.542 1564 S HA 0.481 4.952 4.470 0.003 0.000 0.276 1564 S C -2.890 171.860 174.600 0.250 0.000 1.148 1564 S CA -1.063 57.325 58.200 0.314 0.000 0.886 1564 S CB 2.077 65.448 63.200 0.284 0.000 1.109 1564 S HN 0.315 nan 8.310 nan 0.000 0.458 1565 P HA 0.181 nan 4.420 nan 0.000 0.267 1565 P C 1.420 178.612 177.300 -0.181 0.000 1.200 1565 P CA -0.292 62.600 63.100 -0.347 0.000 0.772 1565 P CB 0.088 31.611 31.700 -0.295 0.000 0.855 1566 I N 1.423 121.844 120.570 -0.249 0.000 2.335 1566 I HA -0.299 3.873 4.170 0.003 0.000 0.251 1566 I C 1.926 177.997 176.117 -0.077 0.000 1.129 1566 I CA 1.660 62.886 61.300 -0.123 0.000 1.402 1566 I CB -1.153 36.769 38.000 -0.131 0.000 1.069 1566 I HN 0.289 nan 8.210 nan 0.000 0.424 1567 K N 1.044 121.382 120.400 -0.103 0.000 2.360 1567 K HA -0.077 4.245 4.320 0.003 0.000 0.201 1567 K C 1.476 178.061 176.600 -0.025 0.000 1.046 1567 K CA 1.649 57.894 56.287 -0.069 0.000 0.945 1567 K CB -0.575 31.874 32.500 -0.086 0.000 0.750 1567 K HN 0.469 nan 8.250 nan 0.000 0.464 1568 c N 0.575 119.175 118.600 0.001 0.000 2.926 1568 c HA 0.273 4.844 4.570 0.003 0.000 0.272 1568 c C 2.387 176.512 174.090 0.059 0.000 1.249 1568 c CA -0.598 55.763 56.329 0.053 0.000 1.691 1568 c CB -0.785 41.778 42.510 0.089 0.000 1.983 1568 c HN 0.584 nan 8.230 nan 0.000 0.615 1569 R N 2.200 122.733 120.500 0.054 0.000 2.091 1569 R HA -0.194 4.148 4.340 0.003 0.000 0.238 1569 R C 1.969 178.292 176.300 0.039 0.000 1.136 1569 R CA 1.912 58.058 56.100 0.077 0.000 0.959 1569 R CB -0.254 30.086 30.300 0.067 0.000 0.856 1569 R HN 0.613 nan 8.270 nan 0.000 0.437 1570 E N -0.789 119.425 120.200 0.024 0.000 2.208 1570 E HA -0.104 4.248 4.350 0.003 0.000 0.193 1570 E C 1.577 178.190 176.600 0.021 0.000 0.988 1570 E CA 0.872 57.281 56.400 0.014 0.000 0.828 1570 E CB 0.060 29.762 29.700 0.004 0.000 0.763 1570 E HN 0.528 nan 8.360 nan 0.000 0.478 1571 A N 0.381 123.231 122.820 0.050 0.000 1.903 1571 A HA -0.002 4.320 4.320 0.003 0.000 0.213 1571 A C 2.037 179.702 177.584 0.134 0.000 1.185 1571 A CA 0.414 52.520 52.037 0.115 0.000 0.628 1571 A CB -0.332 18.773 19.000 0.175 0.000 0.830 1571 A HN 0.223 nan 8.150 nan 0.000 0.446 1572 L N -1.329 119.887 121.223 -0.012 0.000 2.027 1572 L HA -0.070 4.271 4.340 0.003 0.000 0.206 1572 L C 0.644 177.367 176.870 -0.245 0.000 1.074 1572 L CA 1.165 55.811 54.840 -0.324 0.000 0.745 1572 L CB -0.374 41.407 42.059 -0.463 0.000 0.898 1572 L HN 0.339 nan 8.230 nan 0.000 0.433 1573 K N 0.924 121.246 120.400 -0.130 0.000 3.257 1573 K HA -0.173 4.149 4.320 0.003 0.000 0.270 1573 K C -0.731 175.812 176.600 -0.095 0.000 0.984 1573 K CA 0.113 56.355 56.287 -0.075 0.000 0.739 1573 K CB -1.586 30.886 32.500 -0.046 0.000 1.351 1573 K HN 0.237 nan 8.250 nan 0.000 0.463 1574 L N 1.234 122.353 121.223 -0.174 0.000 2.305 1574 L HA 0.272 4.614 4.340 0.003 0.000 0.281 1574 L C 0.622 177.515 176.870 0.038 0.000 1.085 1574 L CA -0.066 54.656 54.840 -0.197 0.000 0.813 1574 L CB 0.940 42.630 42.059 -0.614 0.000 1.157 1574 L HN 0.182 nan 8.230 nan 0.000 0.436 1575 E N 2.171 122.469 120.200 0.164 0.000 2.288 1575 E HA 0.320 4.672 4.350 0.003 0.000 0.268 1575 E C -1.052 175.647 176.600 0.166 0.000 0.885 1575 E CA -0.842 55.645 56.400 0.145 0.000 0.767 1575 E CB 2.320 32.086 29.700 0.110 0.000 1.220 1575 E HN 0.509 nan 8.360 nan 0.000 0.427 1576 E N 1.543 121.812 120.200 0.115 0.000 2.422 1576 E HA -0.014 4.338 4.350 0.003 0.000 0.260 1576 E C -0.165 176.476 176.600 0.067 0.000 1.108 1576 E CA 0.273 56.727 56.400 0.090 0.000 0.943 1576 E CB 0.444 30.183 29.700 0.066 0.000 0.961 1576 E HN 0.463 nan 8.360 nan 0.000 0.443 1577 K N -0.626 119.791 120.400 0.029 0.000 3.547 1577 K HA -0.193 4.129 4.320 0.003 0.000 0.309 1577 K C -0.352 176.243 176.600 -0.008 0.000 1.324 1577 K CA 0.927 57.216 56.287 0.004 0.000 0.988 1577 K CB -0.786 31.735 32.500 0.035 0.000 1.261 1577 K HN 0.200 nan 8.250 nan 0.000 0.444 1578 K N 0.908 121.306 120.400 -0.003 0.000 2.123 1578 K HA 0.413 4.735 4.320 0.003 0.000 0.259 1578 K C -0.542 175.876 176.600 -0.304 0.000 0.960 1578 K CA -0.462 55.789 56.287 -0.061 0.000 0.872 1578 K CB 0.851 33.347 32.500 -0.006 0.000 1.079 1578 K HN 0.105 nan 8.250 nan 0.000 0.440 1579 H N 0.591 119.405 119.070 -0.427 0.000 2.502 1579 H HA 0.505 5.063 4.556 0.003 0.000 0.338 1579 H C -0.934 174.024 175.328 -0.616 0.000 1.155 1579 H CA -0.115 55.715 56.048 -0.363 0.000 1.237 1579 H CB 0.813 30.399 29.762 -0.295 0.000 1.534 1579 H HN 0.410 nan 8.280 nan 0.000 0.523 1580 Y N 0.364 120.766 120.300 0.170 0.000 2.544 1580 Y HA 0.245 4.797 4.550 0.003 0.000 0.342 1580 Y C -1.067 175.027 175.900 0.323 0.000 1.062 1580 Y CA -1.097 57.111 58.100 0.179 0.000 1.023 1580 Y CB 1.525 39.977 38.460 -0.013 0.000 1.308 1580 Y HN 0.406 nan 8.280 nan 0.000 0.457 1581 L N 4.387 125.934 121.223 0.540 0.000 2.255 1581 L HA 0.600 4.942 4.340 0.003 0.000 0.289 1581 L C -1.156 175.926 176.870 0.353 0.000 1.046 1581 L CA -0.219 54.943 54.840 0.536 0.000 0.816 1581 L CB 0.020 42.329 42.059 0.416 0.000 1.197 1581 L HN 0.604 nan 8.230 nan 0.000 0.427 1582 M N 5.586 125.378 119.600 0.319 0.000 2.393 1582 M HA 0.526 5.008 4.480 0.003 0.000 0.316 1582 M C -1.491 174.986 176.300 0.296 0.000 1.087 1582 M CA -0.469 54.949 55.300 0.197 0.000 0.937 1582 M CB 1.908 34.537 32.600 0.049 0.000 1.668 1582 M HN 0.729 nan 8.290 nan 0.000 0.438 1583 W N 1.602 122.955 121.300 0.089 0.000 3.213 1583 W HA 0.906 5.568 4.660 0.003 0.000 0.318 1583 W C -1.285 174.968 176.519 -0.443 0.000 1.248 1583 W CA -0.943 56.191 57.345 -0.352 0.000 1.187 1583 W CB 0.535 29.829 29.460 -0.277 0.000 1.403 1583 W HN 0.820 nan 8.180 nan 0.000 0.556 1584 G N 0.981 109.341 108.800 -0.734 0.000 2.634 1584 G HA2 0.611 4.573 3.960 0.003 0.000 0.309 1584 G HA3 0.611 4.573 3.960 0.003 0.000 0.309 1584 G C -1.771 173.027 174.900 -0.170 0.000 1.299 1584 G CA -1.205 43.767 45.100 -0.214 0.000 0.798 1584 G HN 0.766 nan 8.290 nan 0.000 0.490 1585 L N 0.294 121.565 121.223 0.081 0.000 2.448 1585 L HA 0.364 4.705 4.340 0.003 0.000 0.258 1585 L C 2.125 179.039 176.870 0.074 0.000 1.104 1585 L CA -0.144 54.747 54.840 0.085 0.000 0.800 1585 L CB 1.614 43.730 42.059 0.094 0.000 1.241 1585 L HN 0.722 nan 8.230 nan 0.000 0.472 1586 S N -1.738 114.020 115.700 0.097 0.000 2.461 1586 S HA -0.117 4.354 4.470 0.003 0.000 0.228 1586 S C 1.653 176.327 174.600 0.123 0.000 1.005 1586 S CA 0.660 58.946 58.200 0.142 0.000 0.942 1586 S CB -0.402 62.994 63.200 0.328 0.000 0.776 1586 S HN 0.743 nan 8.310 nan 0.000 0.514 1587 S N 1.654 117.415 115.700 0.103 0.000 2.507 1587 S HA -0.042 4.430 4.470 0.003 0.000 0.235 1587 S C 0.944 175.598 174.600 0.090 0.000 0.988 1587 S CA 0.807 59.078 58.200 0.117 0.000 0.944 1587 S CB -0.466 62.795 63.200 0.102 0.000 0.762 1587 S HN 0.416 nan 8.310 nan 0.000 0.526 1588 D N 0.986 121.387 120.400 0.000 0.000 2.224 1588 D HA 0.154 4.795 4.640 0.003 0.000 0.205 1588 D C 0.040 176.311 176.300 -0.048 0.000 0.965 1588 D CA 0.165 54.167 54.000 0.002 0.000 0.852 1588 D CB -0.411 40.442 40.800 0.087 0.000 0.947 1588 D HN 0.362 nan 8.370 nan 0.000 0.494 1589 F N 0.244 120.197 119.950 0.006 0.000 2.595 1589 F HA 0.063 4.592 4.527 0.003 0.000 0.359 1589 F C 0.757 176.603 175.800 0.076 0.000 1.147 1589 F CA -0.062 57.856 58.000 -0.137 0.000 1.341 1589 F CB 0.256 39.159 39.000 -0.162 0.000 1.104 1589 F HN -0.063 nan 8.300 nan 0.000 0.603 1590 W N 3.423 124.721 121.300 -0.005 0.000 3.097 1590 W HA 0.456 5.118 4.660 0.003 0.000 0.335 1590 W C -0.007 176.474 176.519 -0.062 0.000 1.114 1590 W CA -0.188 57.134 57.345 -0.038 0.000 1.231 1590 W CB 1.949 31.372 29.460 -0.063 0.000 1.388 1590 W HN 0.899 nan 8.180 nan 0.000 0.485 1591 G N 3.536 111.851 108.800 -0.809 0.000 2.632 1591 G HA2 -0.202 3.760 3.960 0.003 0.000 0.224 1591 G HA3 -0.202 3.760 3.960 0.003 0.000 0.224 1591 G C -0.757 173.933 174.900 -0.351 0.000 1.341 1591 G CA -0.433 44.297 45.100 -0.617 0.000 0.880 1591 G HN 0.510 nan 8.290 nan 0.000 0.566 1592 E N -0.302 119.737 120.200 -0.268 0.000 2.281 1592 E HA 0.387 4.738 4.350 0.003 0.000 0.257 1592 E C 1.390 177.880 176.600 -0.184 0.000 0.971 1592 E CA -0.530 55.744 56.400 -0.210 0.000 0.839 1592 E CB 1.440 31.034 29.700 -0.177 0.000 1.238 1592 E HN 0.662 nan 8.360 nan 0.000 0.412 1593 K N 0.987 121.284 120.400 -0.173 0.000 2.032 1593 K HA -0.198 4.123 4.320 0.003 0.000 0.218 1593 K C -0.945 175.584 176.600 -0.118 0.000 1.054 1593 K CA 2.308 58.501 56.287 -0.157 0.000 0.941 1593 K CB -1.010 31.412 32.500 -0.131 0.000 0.720 1593 K HN 0.150 nan 8.250 nan 0.000 0.449 1594 P HA -0.110 nan 4.420 nan 0.000 0.216 1594 P C -0.451 176.808 177.300 -0.067 0.000 1.150 1594 P CA 1.572 64.627 63.100 -0.074 0.000 0.843 1594 P CB 0.026 31.683 31.700 -0.072 0.000 0.787 1595 N N -1.659 116.992 118.700 -0.082 0.000 2.553 1595 N HA 0.166 4.908 4.740 0.003 0.000 0.298 1595 N C -0.727 174.739 175.510 -0.074 0.000 1.596 1595 N CA -0.359 52.653 53.050 -0.063 0.000 0.910 1595 N CB -0.236 38.216 38.487 -0.057 0.000 1.336 1595 N HN -0.033 nan 8.380 nan 0.000 0.497 1596 L N 0.999 122.163 121.223 -0.098 0.000 2.513 1596 L HA 0.214 4.556 4.340 0.003 0.000 0.272 1596 L C 0.092 176.920 176.870 -0.071 0.000 1.187 1596 L CA 0.795 55.557 54.840 -0.129 0.000 0.895 1596 L CB 0.138 42.069 42.059 -0.213 0.000 1.147 1596 L HN 0.120 nan 8.230 nan 0.000 0.483 1597 S N 3.275 118.950 115.700 -0.041 0.000 2.726 1597 S HA 0.642 5.113 4.470 0.003 0.000 0.308 1597 S C -1.279 173.238 174.600 -0.139 0.000 1.115 1597 S CA -0.354 57.854 58.200 0.014 0.000 0.965 1597 S CB 1.204 64.495 63.200 0.152 0.000 1.145 1597 S HN 0.409 nan 8.310 nan 0.000 0.532 1598 Y N 0.425 120.582 120.300 -0.239 0.000 2.429 1598 Y HA 0.569 5.121 4.550 0.003 0.000 0.342 1598 Y C -0.171 175.651 175.900 -0.130 0.000 1.004 1598 Y CA -0.694 57.191 58.100 -0.357 0.000 1.075 1598 Y CB 0.998 38.773 38.460 -1.142 0.000 1.214 1598 Y HN 0.391 nan 8.280 nan 0.000 0.455 1599 I N 4.785 125.425 120.570 0.116 0.000 2.354 1599 I HA 0.307 4.479 4.170 0.003 0.000 0.286 1599 I C -0.525 175.721 176.117 0.214 0.000 1.007 1599 I CA -0.555 60.816 61.300 0.118 0.000 1.167 1599 I CB 0.975 38.975 38.000 0.000 0.000 1.320 1599 I HN 0.476 nan 8.210 nan 0.000 0.458 1600 I N 6.389 127.120 120.570 0.267 0.000 2.576 1600 I HA 0.095 4.267 4.170 0.003 0.000 0.288 1600 I C 1.081 177.308 176.117 0.184 0.000 1.126 1600 I CA 0.339 61.788 61.300 0.248 0.000 1.362 1600 I CB -0.041 38.066 38.000 0.179 0.000 1.419 1600 I HN 0.640 nan 8.210 nan 0.000 0.533 1601 G N 5.123 114.029 108.800 0.177 0.000 2.887 1601 G HA2 0.313 4.274 3.960 0.003 0.000 0.277 1601 G HA3 0.313 4.274 3.960 0.003 0.000 0.277 1601 G C 0.743 175.722 174.900 0.132 0.000 1.346 1601 G CA -0.635 44.547 45.100 0.136 0.000 1.058 1601 G HN 0.718 nan 8.290 nan 0.000 0.535 1602 K N -1.055 119.398 120.400 0.088 0.000 2.209 1602 K HA -0.033 4.288 4.320 0.003 0.000 0.204 1602 K C 0.497 177.140 176.600 0.072 0.000 1.048 1602 K CA 1.715 58.034 56.287 0.054 0.000 0.940 1602 K CB 0.150 32.665 32.500 0.024 0.000 0.729 1602 K HN 0.232 nan 8.250 nan 0.000 0.451 1603 D N 1.035 121.498 120.400 0.105 0.000 2.349 1603 D HA 0.022 4.663 4.640 0.003 0.000 0.214 1603 D C -0.272 176.127 176.300 0.165 0.000 1.063 1603 D CA 0.324 54.406 54.000 0.136 0.000 0.847 1603 D CB 0.500 41.379 40.800 0.132 0.000 0.933 1603 D HN 0.134 nan 8.370 nan 0.000 0.513 1604 T N 1.169 115.813 114.554 0.150 0.000 2.794 1604 T HA 0.034 4.386 4.350 0.003 0.000 0.296 1604 T C -0.200 174.517 174.700 0.028 0.000 0.949 1604 T CA -0.509 61.667 62.100 0.127 0.000 1.101 1604 T CB 1.345 70.322 68.868 0.180 0.000 0.905 1604 T HN 0.111 nan 8.240 nan 0.000 0.516 1605 W N 5.002 126.032 121.300 -0.450 0.000 2.332 1605 W HA 0.498 5.159 4.660 0.003 0.000 0.306 1605 W C -1.641 174.564 176.519 -0.524 0.000 1.149 1605 W CA -0.880 56.032 57.345 -0.721 0.000 1.271 1605 W CB 0.554 28.842 29.460 -1.953 0.000 1.243 1605 W HN 0.277 nan 8.180 nan 0.000 0.459 1606 V N 6.457 126.043 119.914 -0.547 0.000 2.340 1606 V HA 0.153 4.275 4.120 0.003 0.000 0.277 1606 V C -0.249 175.590 176.094 -0.424 0.000 1.017 1606 V CA -0.609 61.422 62.300 -0.448 0.000 0.820 1606 V CB 1.197 32.626 31.823 -0.657 0.000 1.028 1606 V HN 0.535 nan 8.190 nan 0.000 0.436 1607 E N 3.585 123.667 120.200 -0.197 0.000 2.158 1607 E HA 0.305 4.657 4.350 0.003 0.000 0.271 1607 E C -0.442 176.265 176.600 0.178 0.000 0.911 1607 E CA -0.723 55.637 56.400 -0.067 0.000 0.767 1607 E CB 1.068 30.795 29.700 0.044 0.000 1.120 1607 E HN 0.796 nan 8.360 nan 0.000 0.405 1608 H N 5.573 124.696 119.070 0.089 0.000 2.929 1608 H HA -0.059 4.499 4.556 0.003 0.000 0.317 1608 H C -1.164 174.169 175.328 0.009 0.000 1.031 1608 H CA 0.040 56.111 56.048 0.039 0.000 1.466 1608 H CB 0.491 30.254 29.762 0.000 0.000 1.482 1608 H HN 0.515 nan 8.280 nan 0.000 0.561 1609 W N 8.736 129.609 121.300 -0.712 0.000 2.311 1609 W HA 0.253 4.914 4.660 0.003 0.000 0.317 1609 W C -2.597 173.506 176.519 -0.694 0.000 1.065 1609 W CA -2.813 54.238 57.345 -0.489 0.000 1.364 1609 W CB 0.799 30.122 29.460 -0.230 0.000 1.233 1609 W HN 0.584 nan 8.180 nan 0.000 0.409 1610 P HA -0.087 nan 4.420 nan 0.000 0.265 1610 P C 0.143 177.467 177.300 0.040 0.000 1.193 1610 P CA 0.700 63.769 63.100 -0.052 0.000 0.765 1610 P CB 0.767 32.483 31.700 0.027 0.000 0.823 1611 E N 1.901 122.108 120.200 0.012 0.000 2.391 1611 E HA -0.048 4.303 4.350 0.003 0.000 0.255 1611 E C 1.194 177.792 176.600 -0.005 0.000 1.187 1611 E CA -0.120 56.265 56.400 -0.026 0.000 0.941 1611 E CB 0.353 30.057 29.700 0.007 0.000 1.010 1611 E HN 0.541 nan 8.360 nan 0.000 0.458 1612 E N 0.764 120.944 120.200 -0.034 0.000 2.209 1612 E HA -0.221 4.131 4.350 0.003 0.000 0.196 1612 E C 0.612 177.216 176.600 0.007 0.000 0.993 1612 E CA 1.237 57.630 56.400 -0.011 0.000 0.819 1612 E CB 0.241 29.925 29.700 -0.027 0.000 0.745 1612 E HN 0.335 nan 8.360 nan 0.000 0.477 1613 D N 0.778 121.183 120.400 0.009 0.000 2.097 1613 D HA -0.185 4.457 4.640 0.003 0.000 0.195 1613 D C 1.646 177.960 176.300 0.023 0.000 0.989 1613 D CA 1.312 55.322 54.000 0.017 0.000 0.827 1613 D CB -0.377 40.435 40.800 0.020 0.000 0.966 1613 D HN 0.390 nan 8.370 nan 0.000 0.456 1614 E N -0.106 120.113 120.200 0.032 0.000 2.216 1614 E HA -0.043 4.308 4.350 0.003 0.000 0.192 1614 E C 2.141 178.761 176.600 0.033 0.000 0.988 1614 E CA 0.352 56.775 56.400 0.038 0.000 0.834 1614 E CB -0.086 29.649 29.700 0.059 0.000 0.772 1614 E HN 0.199 nan 8.360 nan 0.000 0.479 1615 c N 1.541 120.161 118.600 0.034 0.000 2.419 1615 c HA -0.080 4.491 4.570 0.003 0.000 0.281 1615 c C 2.313 176.418 174.090 0.025 0.000 1.336 1615 c CA 0.424 56.773 56.329 0.033 0.000 1.770 1615 c CB -0.566 41.971 42.510 0.045 0.000 1.929 1615 c HN 0.430 nan 8.230 nan 0.000 0.509 1616 Q N 0.774 120.587 119.800 0.022 0.000 2.297 1616 Q HA 0.019 4.361 4.340 0.003 0.000 0.204 1616 Q C 0.077 176.086 176.000 0.015 0.000 0.962 1616 Q CA 0.908 56.721 55.803 0.017 0.000 0.879 1616 Q CB -0.485 28.262 28.738 0.015 0.000 0.947 1616 Q HN 0.650 nan 8.270 nan 0.000 0.462 1617 D N 0.994 121.404 120.400 0.017 0.000 2.389 1617 D HA -0.025 4.617 4.640 0.003 0.000 0.247 1617 D C 0.976 177.283 176.300 0.012 0.000 1.128 1617 D CA 0.101 54.109 54.000 0.014 0.000 0.884 1617 D CB 0.931 41.740 40.800 0.015 0.000 1.194 1617 D HN 0.134 nan 8.370 nan 0.000 0.441 1618 E N 1.525 121.730 120.200 0.010 0.000 2.204 1618 E HA -0.185 4.167 4.350 0.003 0.000 0.194 1618 E C 1.416 178.019 176.600 0.006 0.000 0.989 1618 E CA 0.837 57.242 56.400 0.008 0.000 0.824 1618 E CB 0.308 30.012 29.700 0.006 0.000 0.756 1618 E HN 0.476 nan 8.360 nan 0.000 0.477 1619 E N 0.128 120.332 120.200 0.007 0.000 2.208 1619 E HA -0.162 4.190 4.350 0.003 0.000 0.193 1619 E C 1.093 177.696 176.600 0.005 0.000 0.988 1619 E CA 0.732 57.135 56.400 0.005 0.000 0.828 1619 E CB -0.207 29.496 29.700 0.005 0.000 0.763 1619 E HN 0.250 nan 8.360 nan 0.000 0.478 1620 N N 0.972 119.678 118.700 0.009 0.000 2.353 1620 N HA -0.048 4.694 4.740 0.003 0.000 0.185 1620 N C 1.718 177.230 175.510 0.003 0.000 1.098 1620 N CA 0.267 53.322 53.050 0.009 0.000 0.872 1620 N CB 0.156 38.655 38.487 0.020 0.000 0.970 1620 N HN 0.357 nan 8.380 nan 0.000 0.467 1621 Q N 1.605 121.409 119.800 0.005 0.000 2.096 1621 Q HA -0.171 4.171 4.340 0.003 0.000 0.204 1621 Q C 1.942 177.941 176.000 -0.001 0.000 0.982 1621 Q CA 1.544 57.351 55.803 0.006 0.000 0.850 1621 Q CB 0.107 28.850 28.738 0.008 0.000 0.901 1621 Q HN 0.222 nan 8.270 nan 0.000 0.422 1622 K N 0.022 120.418 120.400 -0.006 0.000 2.032 1622 K HA -0.249 4.073 4.320 0.003 0.000 0.209 1622 K C 2.163 178.747 176.600 -0.026 0.000 1.048 1622 K CA 1.810 58.091 56.287 -0.011 0.000 0.927 1622 K CB -0.110 32.385 32.500 -0.009 0.000 0.712 1622 K HN 0.270 nan 8.250 nan 0.000 0.441 1623 Q N -0.168 119.609 119.800 -0.039 0.000 2.083 1623 Q HA -0.131 4.211 4.340 0.003 0.000 0.198 1623 Q C 2.170 178.097 176.000 -0.121 0.000 0.969 1623 Q CA 1.521 57.275 55.803 -0.081 0.000 0.838 1623 Q CB -0.012 28.677 28.738 -0.081 0.000 0.900 1623 Q HN 0.468 nan 8.270 nan 0.000 0.436 1624 c N 1.064 119.620 118.600 -0.073 0.000 2.425 1624 c HA -0.100 4.471 4.570 0.003 0.000 0.277 1624 c C 2.641 176.728 174.090 -0.005 0.000 1.280 1624 c CA 0.574 56.878 56.329 -0.042 0.000 1.744 1624 c CB -0.599 41.924 42.510 0.022 0.000 1.989 1624 c HN 0.575 nan 8.230 nan 0.000 0.491 1625 Q N 0.544 120.344 119.800 -0.000 0.000 2.123 1625 Q HA -0.097 4.245 4.340 0.003 0.000 0.199 1625 Q C 1.674 177.685 176.000 0.019 0.000 0.966 1625 Q CA 1.362 57.179 55.803 0.022 0.000 0.845 1625 Q CB -0.600 28.149 28.738 0.018 0.000 0.907 1625 Q HN 0.632 nan 8.270 nan 0.000 0.439 1626 D N 0.708 121.099 120.400 -0.015 0.000 2.117 1626 D HA -0.088 4.553 4.640 0.003 0.000 0.197 1626 D C 2.110 178.406 176.300 -0.007 0.000 0.987 1626 D CA 0.711 54.703 54.000 -0.012 0.000 0.829 1626 D CB -0.168 40.607 40.800 -0.043 0.000 0.961 1626 D HN 0.165 nan 8.370 nan 0.000 0.460 1627 L N 0.303 121.449 121.223 -0.128 0.000 2.083 1627 L HA -0.052 4.290 4.340 0.003 0.000 0.209 1627 L C 2.503 179.445 176.870 0.120 0.000 1.083 1627 L CA 1.316 56.015 54.840 -0.235 0.000 0.752 1627 L CB -0.620 40.908 42.059 -0.886 0.000 0.899 1627 L HN 0.095 nan 8.230 nan 0.000 0.433 1628 G N -0.514 108.379 108.800 0.155 0.000 2.402 1628 G HA2 -0.193 3.769 3.960 0.003 0.000 0.216 1628 G HA3 -0.193 3.769 3.960 0.003 0.000 0.216 1628 G C 1.752 176.759 174.900 0.178 0.000 1.162 1628 G CA 0.712 45.948 45.100 0.227 0.000 0.777 1628 G HN 0.448 nan 8.290 nan 0.000 0.539 1629 A N 0.242 123.142 122.820 0.133 0.000 1.968 1629 A HA 0.156 4.478 4.320 0.003 0.000 0.217 1629 A C 2.110 179.767 177.584 0.121 0.000 1.169 1629 A CA 1.363 53.462 52.037 0.104 0.000 0.638 1629 A CB -0.467 18.575 19.000 0.071 0.000 0.812 1629 A HN 0.425 nan 8.150 nan 0.000 0.446 1630 F N 1.430 121.390 119.950 0.017 0.000 2.146 1630 F HA -0.133 4.395 4.527 0.003 0.000 0.298 1630 F C 2.295 178.130 175.800 0.058 0.000 1.096 1630 F CA 2.239 60.243 58.000 0.007 0.000 1.275 1630 F CB -0.550 38.434 39.000 -0.027 0.000 1.008 1630 F HN 0.184 nan 8.300 nan 0.000 0.480 1631 T N 0.233 114.860 114.554 0.121 0.000 2.777 1631 T HA -0.137 4.215 4.350 0.003 0.000 0.266 1631 T C 1.776 176.470 174.700 -0.008 0.000 1.040 1631 T CA 1.393 63.533 62.100 0.068 0.000 1.141 1631 T CB -0.247 68.811 68.868 0.316 0.000 0.868 1631 T HN 0.263 nan 8.240 nan 0.000 0.444 1632 E N 1.079 121.305 120.200 0.043 0.000 2.077 1632 E HA -0.079 4.273 4.350 0.003 0.000 0.193 1632 E C 2.491 179.123 176.600 0.053 0.000 0.989 1632 E CA 0.828 57.260 56.400 0.054 0.000 0.800 1632 E CB -0.410 29.337 29.700 0.079 0.000 0.746 1632 E HN 0.385 nan 8.360 nan 0.000 0.452 1633 S N -0.275 115.423 115.700 -0.003 0.000 2.423 1633 S HA -0.071 4.400 4.470 0.003 0.000 0.231 1633 S C 1.805 176.385 174.600 -0.033 0.000 1.014 1633 S CA 0.701 58.908 58.200 0.010 0.000 0.965 1633 S CB 0.078 63.222 63.200 -0.093 0.000 0.785 1633 S HN 0.087 nan 8.310 nan 0.000 0.495 1634 M N 0.469 119.951 119.600 -0.196 0.000 2.287 1634 M HA 0.120 4.602 4.480 0.003 0.000 0.266 1634 M C 2.120 178.366 176.300 -0.090 0.000 1.079 1634 M CA 0.838 56.006 55.300 -0.220 0.000 1.146 1634 M CB -1.171 31.163 32.600 -0.443 0.000 1.374 1634 M HN 0.189 nan 8.290 nan 0.000 0.435 1635 V N -0.366 119.515 119.914 -0.055 0.000 2.407 1635 V HA -0.135 3.987 4.120 0.003 0.000 0.245 1635 V C 2.435 178.511 176.094 -0.029 0.000 1.041 1635 V CA 1.121 63.410 62.300 -0.020 0.000 1.040 1635 V CB -0.333 31.492 31.823 0.004 0.000 0.671 1635 V HN 0.171 nan 8.190 nan 0.000 0.455 1636 V N -1.424 118.481 119.914 -0.016 0.000 2.426 1636 V HA -0.022 4.099 4.120 0.003 0.000 0.242 1636 V C 1.936 177.879 176.094 -0.252 0.000 1.036 1636 V CA 1.817 64.044 62.300 -0.121 0.000 1.044 1636 V CB -0.411 31.359 31.823 -0.088 0.000 0.688 1636 V HN 0.458 nan 8.190 nan 0.000 0.462 1637 F N -0.212 119.704 119.950 -0.057 0.000 2.559 1637 F HA 0.528 5.057 4.527 0.003 0.000 0.286 1637 F C 1.761 177.521 175.800 -0.066 0.000 1.108 1637 F CA 0.763 58.730 58.000 -0.055 0.000 1.436 1637 F CB -0.294 38.672 39.000 -0.057 0.000 1.130 1637 F HN 0.286 nan 8.300 nan 0.000 0.584 1638 G N 0.200 109.046 108.800 0.077 0.000 2.547 1638 G HA2 -0.306 3.656 3.960 0.003 0.000 0.271 1638 G HA3 -0.306 3.656 3.960 0.003 0.000 0.271 1638 G C -0.441 174.449 174.900 -0.018 0.000 1.209 1638 G CA -0.397 44.700 45.100 -0.006 0.000 0.959 1638 G HN 0.350 nan 8.290 nan 0.000 0.563 1639 c N 1.793 120.375 118.600 -0.029 0.000 2.365 1639 c HA 0.635 5.207 4.570 0.003 0.000 0.349 1639 c C 0.215 174.298 174.090 -0.012 0.000 1.191 1639 c CA 0.070 56.375 56.329 -0.041 0.000 2.114 1639 c CB 1.130 43.604 42.510 -0.060 0.000 2.367 1639 c HN 0.713 nan 8.230 nan 0.000 0.530 1640 P HA -0.035 nan 4.420 nan 0.000 0.213 1640 P C 0.014 177.313 177.300 -0.002 0.000 1.170 1640 P CA 1.450 64.546 63.100 -0.007 0.000 0.902 1640 P CB 0.077 31.763 31.700 -0.022 0.000 0.789 1641 N N 0.000 118.693 118.700 -0.011 0.000 1.763 1641 N HA 0.000 4.742 4.740 0.003 0.000 0.220 1641 N CA 0.000 53.046 53.050 -0.007 0.000 0.885 1641 N CB 0.000 38.487 38.487 -0.001 0.000 1.341 1641 N HN 0.000 nan 8.380 nan 0.000 0.667