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 3o4x_1_E DATA FIRST_RESID 745 DATA SEQUENCE VLPFGLTPKK VYKPEVQLRR PNWSKFVAED LSQDCFWTKV KEDRFENNEL DATA SEQUENCE FAKLTLAFSA QTXXXXXXXX XXXXXXXXXX XXXKVKELKV LDSKTAQNLS DATA SEQUENCE IFLGSFRMPY QEIKNVILEV NEAVLTESMI QNLIKQMPEP EQLKMLSELK DATA SEQUENCE EEYDDLAESE QFGVVMGTVP RLRPRLNAIL FKLQFSEQVE NIKPEIVSVT DATA SEQUENCE AACEELRKSE NFSSLLELTL LVGNYMNAGS RNAGAFGFNI SFLCKLRDTK DATA SEQUENCE SADQKMTLLH FLAELCENDH PEVLKFPDEL AHVEKASRVS AENLQKSLDQ DATA SEQUENCE MKKQIADVER DVQNFPAATD EKDKFVEKMT SFVKDAQEQY NKLRMMHSNM DATA SEQUENCE ETLYKELGDY FVFDPKKLSV EEFFMDLHNF RNMFLQAVKE NQKRRETEEK DATA SEQUENCE MRRAKLAKEK AEKERLEKQQ KREQLIDMNA EGDETGVMDS LLEALQSGAA DATA SEQUENCE FRRK 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 745 V HA 0.000 nan 4.120 nan 0.000 0.244 745 V C 0.000 176.055 176.094 -0.065 0.000 1.182 745 V CA 0.000 62.276 62.300 -0.041 0.000 1.235 745 V CB 0.000 31.801 31.823 -0.036 0.000 1.184 746 L N 4.904 126.090 121.223 -0.062 0.000 2.619 746 L HA -0.078 4.259 4.340 -0.006 0.000 0.533 746 L C -2.280 174.510 176.870 -0.132 0.000 1.002 746 L CA -0.330 54.460 54.840 -0.083 0.000 1.266 746 L CB 0.225 42.230 42.059 -0.090 0.000 1.549 746 L HN 0.692 nan 8.230 nan 0.000 0.778 747 P HA 0.358 nan 4.420 nan 0.000 0.301 747 P C -0.422 176.797 177.300 -0.136 0.000 1.309 747 P CA -0.358 62.690 63.100 -0.086 0.000 0.782 747 P CB 0.364 32.083 31.700 0.032 0.000 1.282 748 F N 0.285 120.233 119.950 -0.003 0.000 2.662 748 F HA 0.374 4.898 4.527 -0.006 0.000 0.365 748 F C 1.507 177.303 175.800 -0.006 0.000 1.222 748 F CA 0.734 58.731 58.000 -0.006 0.000 1.315 748 F CB -1.208 37.788 39.000 -0.007 0.000 1.711 748 F HN 0.544 nan 8.300 nan 0.000 0.651 749 G N 1.984 110.830 108.800 0.077 0.000 2.207 749 G HA2 -0.153 3.803 3.960 -0.006 0.000 0.216 749 G HA3 -0.153 3.803 3.960 -0.006 0.000 0.216 749 G C -0.463 174.460 174.900 0.038 0.000 1.053 749 G CA -0.034 45.097 45.100 0.053 0.000 0.764 749 G HN 0.736 nan 8.290 nan 0.000 0.495 750 L N -4.352 116.888 121.223 0.028 0.000 3.041 750 L HA 0.948 5.284 4.340 -0.006 0.000 0.278 750 L C -0.272 176.605 176.870 0.013 0.000 1.051 750 L CA -0.716 54.138 54.840 0.023 0.000 0.957 750 L CB 1.166 43.247 42.059 0.037 0.000 1.538 750 L HN 0.596 nan 8.230 nan 0.000 0.393 751 T N -2.021 112.541 114.554 0.012 0.000 2.855 751 T HA 0.770 5.117 4.350 -0.006 0.000 0.281 751 T C -2.612 172.093 174.700 0.008 0.000 1.007 751 T CA -1.655 60.447 62.100 0.004 0.000 1.009 751 T CB 1.041 69.909 68.868 -0.001 0.000 0.983 751 T HN 0.601 nan 8.240 nan 0.000 0.455 752 P HA 0.243 nan 4.420 nan 0.000 0.266 752 P C -0.369 176.927 177.300 -0.007 0.000 1.195 752 P CA -0.399 62.701 63.100 0.000 0.000 0.768 752 P CB 0.384 32.078 31.700 -0.010 0.000 0.838 753 K N 3.148 123.550 120.400 0.002 0.000 2.368 753 K HA 0.043 4.359 4.320 -0.006 0.000 0.282 753 K C 0.507 177.067 176.600 -0.067 0.000 1.035 753 K CA -0.474 55.811 56.287 -0.002 0.000 0.973 753 K CB 0.378 32.904 32.500 0.043 0.000 0.957 753 K HN 0.345 nan 8.250 nan 0.000 0.474 754 K N 2.243 122.560 120.400 -0.139 0.000 2.543 754 K HA -0.049 4.267 4.320 -0.006 0.000 0.279 754 K C -0.543 175.806 176.600 -0.418 0.000 1.001 754 K CA -0.011 56.100 56.287 -0.294 0.000 1.088 754 K CB -0.050 32.208 32.500 -0.404 0.000 0.863 754 K HN 0.137 nan 8.250 nan 0.000 0.488 755 V N 4.679 124.413 119.914 -0.300 0.000 2.455 755 V HA 0.087 4.203 4.120 -0.006 0.000 0.273 755 V C -0.133 175.792 176.094 -0.282 0.000 1.045 755 V CA -0.430 61.743 62.300 -0.212 0.000 0.976 755 V CB -0.695 31.068 31.823 -0.100 0.000 0.993 755 V HN 0.531 nan 8.190 nan 0.000 0.475 756 Y N 3.630 123.896 120.300 -0.056 0.000 2.354 756 Y HA 0.474 5.020 4.550 -0.006 0.000 0.322 756 Y C 0.770 176.623 175.900 -0.079 0.000 1.253 756 Y CA -0.518 57.524 58.100 -0.096 0.000 1.272 756 Y CB 1.205 39.579 38.460 -0.144 0.000 1.255 756 Y HN 0.419 nan 8.280 nan 0.000 0.500 757 K N 3.204 123.661 120.400 0.095 0.000 2.701 757 K HA 0.329 4.646 4.320 -0.006 0.000 0.212 757 K C -2.678 173.926 176.600 0.007 0.000 1.035 757 K CA -1.611 54.695 56.287 0.032 0.000 1.048 757 K CB 0.984 33.490 32.500 0.011 0.000 1.234 757 K HN 0.447 nan 8.250 nan 0.000 0.540 758 P HA 0.195 nan 4.420 nan 0.000 0.276 758 P C 0.547 177.837 177.300 -0.018 0.000 1.261 758 P CA -0.536 62.540 63.100 -0.040 0.000 0.800 758 P CB 1.138 32.804 31.700 -0.056 0.000 1.066 759 E N -0.456 119.736 120.200 -0.013 0.000 2.024 759 E HA 0.036 4.382 4.350 -0.006 0.000 0.190 759 E C 0.284 176.884 176.600 -0.001 0.000 0.974 759 E CA 0.930 57.328 56.400 -0.003 0.000 0.810 759 E CB -0.345 29.357 29.700 0.004 0.000 0.775 759 E HN 0.196 nan 8.360 nan 0.000 0.453 760 V N 2.515 122.431 119.914 0.003 0.000 2.509 760 V HA 0.109 4.225 4.120 -0.006 0.000 0.284 760 V C 0.221 176.317 176.094 0.003 0.000 1.047 760 V CA -0.617 61.687 62.300 0.006 0.000 0.952 760 V CB 1.285 33.117 31.823 0.015 0.000 0.988 760 V HN 0.124 nan 8.190 nan 0.000 0.469 761 Q N 3.772 123.573 119.800 0.002 0.000 2.304 761 Q HA 0.484 4.821 4.340 -0.006 0.000 0.260 761 Q C -1.197 174.806 176.000 0.005 0.000 0.965 761 Q CA 0.197 55.999 55.803 -0.003 0.000 0.898 761 Q CB 0.890 29.625 28.738 -0.005 0.000 1.196 761 Q HN 0.589 nan 8.270 nan 0.000 0.402 762 L N 2.624 123.845 121.223 -0.003 0.000 2.322 762 L HA 0.622 4.959 4.340 -0.006 0.000 0.269 762 L C 0.045 176.911 176.870 -0.008 0.000 1.012 762 L CA -0.952 53.897 54.840 0.015 0.000 0.815 762 L CB 1.298 43.364 42.059 0.012 0.000 1.295 762 L HN 0.553 nan 8.230 nan 0.000 0.438 763 R N 1.188 121.704 120.500 0.027 0.000 2.643 763 R HA 0.489 4.825 4.340 -0.006 0.000 0.270 763 R C -0.445 175.789 176.300 -0.110 0.000 1.061 763 R CA -0.208 55.888 56.100 -0.008 0.000 1.107 763 R CB 0.436 30.780 30.300 0.073 0.000 0.999 763 R HN 0.647 nan 8.270 nan 0.000 0.460 764 R N 1.915 122.323 120.500 -0.152 0.000 2.771 764 R HA 0.498 4.835 4.340 -0.006 0.000 0.274 764 R C -2.698 173.416 176.300 -0.309 0.000 0.987 764 R CA -2.102 53.843 56.100 -0.258 0.000 0.908 764 R CB 0.967 31.127 30.300 -0.234 0.000 1.213 764 R HN 0.398 nan 8.270 nan 0.000 0.468 765 P HA 0.159 nan 4.420 nan 0.000 0.280 765 P C -1.080 175.872 177.300 -0.581 0.000 1.300 765 P CA -0.509 62.274 63.100 -0.529 0.000 0.785 765 P CB 0.516 31.749 31.700 -0.778 0.000 0.874 766 N N 4.212 122.737 118.700 -0.292 0.000 2.968 766 N HA 0.080 4.817 4.740 -0.006 0.000 0.271 766 N C -0.000 175.486 175.510 -0.040 0.000 1.174 766 N CA -0.151 52.793 53.050 -0.176 0.000 1.096 766 N CB -0.048 38.384 38.487 -0.090 0.000 1.403 766 N HN 0.490 nan 8.380 nan 0.000 0.522 767 W N 0.170 121.417 121.300 -0.089 0.000 2.415 767 W HA 0.507 5.163 4.660 -0.006 0.000 0.355 767 W C 0.018 176.447 176.519 -0.150 0.000 1.161 767 W CA -1.827 55.447 57.345 -0.118 0.000 1.315 767 W CB -0.381 28.994 29.460 -0.142 0.000 1.261 767 W HN -0.091 nan 8.180 nan 0.000 0.636 768 S N 2.421 118.168 115.700 0.078 0.000 2.414 768 S HA 0.120 4.587 4.470 -0.006 0.000 0.290 768 S C 0.462 174.829 174.600 -0.389 0.000 1.160 768 S CA -0.685 57.454 58.200 -0.101 0.000 1.069 768 S CB -0.553 62.570 63.200 -0.128 0.000 1.012 768 S HN 0.398 nan 8.310 nan 0.000 0.510 769 K N 2.471 122.711 120.400 -0.266 0.000 2.118 769 K HA 0.402 4.719 4.320 -0.006 0.000 0.240 769 K C -0.971 175.302 176.600 -0.545 0.000 1.035 769 K CA -0.336 55.681 56.287 -0.450 0.000 0.899 769 K CB 0.475 32.917 32.500 -0.097 0.000 1.085 769 K HN 0.385 nan 8.250 nan 0.000 0.498 770 F N 0.721 120.503 119.950 -0.280 0.000 2.460 770 F HA 0.274 4.797 4.527 -0.006 0.000 0.341 770 F C 0.023 175.742 175.800 -0.135 0.000 1.130 770 F CA -1.399 56.474 58.000 -0.212 0.000 0.962 770 F CB 2.024 40.839 39.000 -0.310 0.000 1.171 770 F HN 0.227 nan 8.300 nan 0.000 0.436 771 V N 3.801 123.792 119.914 0.128 0.000 3.083 771 V HA 0.388 4.504 4.120 -0.006 0.000 0.306 771 V C 1.202 177.345 176.094 0.083 0.000 1.077 771 V CA 0.531 62.879 62.300 0.079 0.000 1.073 771 V CB 1.446 33.309 31.823 0.066 0.000 1.081 771 V HN 0.994 nan 8.190 nan 0.000 0.474 772 A N 3.815 126.679 122.820 0.073 0.000 1.865 772 A HA -0.286 4.030 4.320 -0.006 0.000 0.244 772 A C 1.214 178.872 177.584 0.124 0.000 1.984 772 A CA 2.805 54.895 52.037 0.089 0.000 0.785 772 A CB -1.065 17.981 19.000 0.078 0.000 0.849 772 A HN 1.178 nan 8.150 nan 0.000 0.501 773 E N -0.335 119.952 120.200 0.144 0.000 2.411 773 E HA 0.336 4.682 4.350 -0.006 0.000 0.228 773 E C -0.290 176.337 176.600 0.045 0.000 1.169 773 E CA 0.245 56.757 56.400 0.187 0.000 1.421 773 E CB 0.155 30.075 29.700 0.366 0.000 1.333 773 E HN 0.552 nan 8.360 nan 0.000 0.434 774 D N 0.068 120.464 120.400 -0.006 0.000 2.360 774 D HA 0.070 4.706 4.640 -0.006 0.000 0.210 774 D C -0.099 176.078 176.300 -0.205 0.000 1.047 774 D CA 0.088 54.026 54.000 -0.105 0.000 0.854 774 D CB 0.549 41.291 40.800 -0.097 0.000 0.936 774 D HN 0.203 nan 8.370 nan 0.000 0.514 775 L N 0.932 122.072 121.223 -0.137 0.000 2.360 775 L HA 0.257 4.593 4.340 -0.006 0.000 0.271 775 L C 0.805 177.574 176.870 -0.168 0.000 1.057 775 L CA -0.582 54.184 54.840 -0.123 0.000 0.803 775 L CB 1.641 43.688 42.059 -0.020 0.000 1.207 775 L HN -0.177 nan 8.230 nan 0.000 0.445 776 S N 0.329 115.945 115.700 -0.141 0.000 2.704 776 S HA 0.397 4.864 4.470 -0.006 0.000 0.305 776 S C 0.635 175.177 174.600 -0.096 0.000 1.107 776 S CA -0.768 57.334 58.200 -0.163 0.000 0.993 776 S CB 1.437 64.555 63.200 -0.137 0.000 1.110 776 S HN 0.512 nan 8.310 nan 0.000 0.534 777 Q N 0.742 120.488 119.800 -0.090 0.000 2.029 777 Q HA -0.172 4.164 4.340 -0.006 0.000 0.209 777 Q C 0.344 176.325 176.000 -0.031 0.000 0.999 777 Q CA 1.991 57.770 55.803 -0.041 0.000 0.857 777 Q CB -0.544 28.174 28.738 -0.032 0.000 0.926 777 Q HN 0.737 nan 8.270 nan 0.000 0.415 778 D N -0.350 120.028 120.400 -0.036 0.000 2.358 778 D HA 0.056 4.693 4.640 -0.006 0.000 0.224 778 D C 0.480 176.767 176.300 -0.022 0.000 1.123 778 D CA -0.072 53.911 54.000 -0.028 0.000 0.833 778 D CB -0.344 40.440 40.800 -0.027 0.000 0.946 778 D HN 0.265 nan 8.370 nan 0.000 0.505 779 C N -1.138 118.150 119.300 -0.020 0.000 2.422 779 C HA 0.374 4.830 4.460 -0.006 0.000 0.364 779 C C 2.037 177.029 174.990 0.004 0.000 1.251 779 C CA -0.936 58.084 59.018 0.002 0.000 2.441 779 C CB 0.074 27.822 27.740 0.012 0.000 2.393 779 C HN 0.293 nan 8.230 nan 0.000 0.606 780 F N 0.775 120.612 119.950 -0.188 0.000 2.171 780 F HA 0.068 4.592 4.527 -0.005 0.000 0.300 780 F C 1.547 177.171 175.800 -0.294 0.000 1.090 780 F CA 1.395 59.203 58.000 -0.321 0.000 1.293 780 F CB -0.294 38.377 39.000 -0.548 0.000 1.013 780 F HN 0.802 nan 8.300 nan 0.000 0.486 781 W N 0.233 121.462 121.300 -0.119 0.000 2.800 781 W HA -0.016 4.640 4.660 -0.006 0.000 0.249 781 W C 2.183 178.594 176.519 -0.180 0.000 1.294 781 W CA 0.924 58.153 57.345 -0.193 0.000 1.402 781 W CB -0.568 28.897 29.460 0.007 0.000 1.126 781 W HN -0.140 nan 8.180 nan 0.000 0.652 782 T N -0.221 114.340 114.554 0.013 0.000 2.937 782 T HA -0.143 4.204 4.350 -0.006 0.000 0.260 782 T C 1.766 176.421 174.700 -0.075 0.000 1.051 782 T CA 0.858 62.955 62.100 -0.006 0.000 1.141 782 T CB -0.141 68.727 68.868 -0.000 0.000 0.879 782 T HN 0.113 nan 8.240 nan 0.000 0.459 783 K N 1.971 122.269 120.400 -0.171 0.000 2.209 783 K HA -0.068 4.249 4.320 -0.006 0.000 0.204 783 K C 1.737 178.205 176.600 -0.219 0.000 1.048 783 K CA 1.118 57.281 56.287 -0.207 0.000 0.940 783 K CB -0.150 32.189 32.500 -0.269 0.000 0.729 783 K HN 0.397 nan 8.250 nan 0.000 0.451 784 V N -1.207 118.561 119.914 -0.243 0.000 3.499 784 V HA 0.147 4.264 4.120 -0.006 0.000 0.308 784 V C 1.214 177.305 176.094 -0.006 0.000 1.319 784 V CA 0.175 62.388 62.300 -0.144 0.000 1.194 784 V CB -0.364 31.365 31.823 -0.155 0.000 1.072 784 V HN 0.131 nan 8.190 nan 0.000 0.426 785 K N 0.757 121.151 120.400 -0.010 0.000 2.664 785 K HA -0.121 4.195 4.320 -0.006 0.000 0.193 785 K C 1.510 178.128 176.600 0.030 0.000 1.028 785 K CA 0.925 57.225 56.287 0.022 0.000 1.005 785 K CB 0.025 32.532 32.500 0.011 0.000 0.815 785 K HN 0.774 nan 8.250 nan 0.000 0.496 786 E N 0.531 120.747 120.200 0.026 0.000 1.998 786 E HA -0.193 4.153 4.350 -0.006 0.000 0.196 786 E C 0.619 177.288 176.600 0.116 0.000 1.003 786 E CA 1.470 57.907 56.400 0.062 0.000 0.829 786 E CB -0.024 29.711 29.700 0.057 0.000 0.777 786 E HN 0.264 nan 8.360 nan 0.000 0.460 787 D N -1.917 118.572 120.400 0.150 0.000 2.979 787 D HA -0.231 4.406 4.640 -0.006 0.000 0.208 787 D C 1.082 177.496 176.300 0.189 0.000 1.122 787 D CA 1.326 55.434 54.000 0.181 0.000 0.992 787 D CB -0.193 40.709 40.800 0.170 0.000 1.117 787 D HN 0.055 nan 8.370 nan 0.000 0.397 788 R N -1.239 119.369 120.500 0.180 0.000 2.279 788 R HA 0.185 4.522 4.340 -0.006 0.000 0.195 788 R C 1.689 178.102 176.300 0.188 0.000 0.905 788 R CA -0.002 56.197 56.100 0.166 0.000 1.044 788 R CB -0.370 30.013 30.300 0.138 0.000 1.056 788 R HN 0.281 nan 8.270 nan 0.000 0.535 789 F N 2.295 122.276 119.950 0.052 0.000 2.494 789 F HA -0.109 4.415 4.527 -0.006 0.000 0.298 789 F C 0.398 176.222 175.800 0.040 0.000 1.106 789 F CA 1.293 59.317 58.000 0.040 0.000 1.452 789 F CB 0.288 39.308 39.000 0.034 0.000 1.085 789 F HN -0.086 nan 8.300 nan 0.000 0.569 790 E N -0.401 119.789 120.200 -0.016 0.000 3.029 790 E HA 0.148 4.495 4.350 -0.006 0.000 0.196 790 E C -0.631 175.934 176.600 -0.059 0.000 0.973 790 E CA -0.170 56.166 56.400 -0.106 0.000 1.242 790 E CB -0.170 29.495 29.700 -0.057 0.000 1.056 790 E HN 0.039 nan 8.360 nan 0.000 0.469 791 N N 1.274 119.963 118.700 -0.018 0.000 2.488 791 N HA 0.230 4.967 4.740 -0.006 0.000 0.274 791 N C -0.426 175.043 175.510 -0.068 0.000 1.111 791 N CA 0.202 53.241 53.050 -0.018 0.000 0.974 791 N CB 0.743 39.278 38.487 0.080 0.000 1.089 791 N HN 0.161 nan 8.380 nan 0.000 0.465 792 N N 0.695 119.302 118.700 -0.154 0.000 3.455 792 N HA 0.175 4.912 4.740 -0.006 0.000 0.358 792 N C -0.552 174.863 175.510 -0.158 0.000 1.580 792 N CA -0.314 52.651 53.050 -0.142 0.000 0.692 792 N CB 0.293 38.683 38.487 -0.161 0.000 1.978 792 N HN 0.365 nan 8.380 nan 0.000 0.651 793 E N 1.109 121.234 120.200 -0.125 0.000 3.105 793 E HA 0.232 4.578 4.350 -0.006 0.000 0.219 793 E C 0.503 177.030 176.600 -0.122 0.000 1.064 793 E CA -0.162 56.195 56.400 -0.073 0.000 1.342 793 E CB -0.787 28.919 29.700 0.011 0.000 1.295 793 E HN 0.497 nan 8.360 nan 0.000 0.438 794 L N -2.437 118.602 121.223 -0.306 0.000 2.446 794 L HA 0.280 4.617 4.340 -0.006 0.000 0.219 794 L C 1.342 178.104 176.870 -0.180 0.000 1.116 794 L CA 0.702 55.398 54.840 -0.241 0.000 0.844 794 L CB -0.440 41.451 42.059 -0.281 0.000 0.970 794 L HN -0.052 nan 8.230 nan 0.000 0.457 795 F N 1.736 121.676 119.950 -0.017 0.000 2.120 795 F HA -0.173 4.350 4.527 -0.006 0.000 0.300 795 F C 2.742 178.537 175.800 -0.009 0.000 1.095 795 F CA 1.248 59.227 58.000 -0.034 0.000 1.249 795 F CB -1.291 37.674 39.000 -0.059 0.000 0.995 795 F HN 0.244 nan 8.300 nan 0.000 0.480 796 A N 0.273 123.192 122.820 0.165 0.000 1.859 796 A HA -0.271 4.046 4.320 -0.006 0.000 0.217 796 A C 2.250 179.874 177.584 0.067 0.000 1.198 796 A CA 2.198 54.292 52.037 0.095 0.000 0.629 796 A CB -0.836 18.203 19.000 0.065 0.000 0.830 796 A HN 0.360 nan 8.150 nan 0.000 0.446 797 K N -0.995 119.429 120.400 0.041 0.000 2.097 797 K HA -0.092 4.224 4.320 -0.006 0.000 0.206 797 K C 1.898 178.540 176.600 0.070 0.000 1.049 797 K CA 1.372 57.678 56.287 0.031 0.000 0.933 797 K CB -0.321 32.181 32.500 0.003 0.000 0.717 797 K HN 0.393 nan 8.250 nan 0.000 0.442 798 L N 0.842 122.127 121.223 0.103 0.000 2.072 798 L HA -0.138 4.199 4.340 -0.006 0.000 0.205 798 L C 1.920 178.934 176.870 0.240 0.000 1.079 798 L CA 1.824 56.785 54.840 0.202 0.000 0.752 798 L CB -0.555 41.588 42.059 0.140 0.000 0.906 798 L HN 0.128 nan 8.230 nan 0.000 0.436 799 T N -0.234 114.412 114.554 0.154 0.000 2.746 799 T HA -0.184 4.162 4.350 -0.006 0.000 0.267 799 T C 1.978 176.730 174.700 0.087 0.000 1.039 799 T CA 1.731 63.902 62.100 0.119 0.000 1.142 799 T CB -0.416 68.501 68.868 0.083 0.000 0.866 799 T HN 0.258 nan 8.240 nan 0.000 0.444 800 L N 0.618 121.875 121.223 0.057 0.000 2.042 800 L HA -0.148 4.188 4.340 -0.006 0.000 0.210 800 L C 2.926 179.772 176.870 -0.040 0.000 1.076 800 L CA 1.464 56.309 54.840 0.009 0.000 0.749 800 L CB -0.504 41.556 42.059 0.001 0.000 0.893 800 L HN 0.287 nan 8.230 nan 0.000 0.432 801 A N -1.394 121.384 122.820 -0.069 0.000 2.021 801 A HA -0.006 4.310 4.320 -0.006 0.000 0.216 801 A C 1.344 178.625 177.584 -0.505 0.000 1.163 801 A CA 0.778 52.627 52.037 -0.313 0.000 0.676 801 A CB -0.220 18.521 19.000 -0.432 0.000 0.818 801 A HN 0.389 nan 8.150 nan 0.000 0.453 802 F N 0.822 120.763 119.950 -0.016 0.000 2.735 802 F HA 0.190 4.713 4.527 -0.006 0.000 0.304 802 F C 0.956 176.743 175.800 -0.023 0.000 1.119 802 F CA -0.202 57.784 58.000 -0.023 0.000 1.280 802 F CB 0.308 39.290 39.000 -0.030 0.000 0.994 802 F HN 0.085 nan 8.300 nan 0.000 0.520 803 S N 0.844 116.593 115.700 0.083 0.000 2.549 803 S HA 0.538 5.005 4.470 -0.006 0.000 0.279 803 S C 0.420 175.039 174.600 0.032 0.000 1.321 803 S CA -0.322 57.908 58.200 0.050 0.000 1.054 803 S CB 1.649 64.863 63.200 0.023 0.000 0.899 803 S HN 0.276 nan 8.310 nan 0.000 0.497 804 A N 3.042 125.879 122.820 0.029 0.000 3.257 804 A HA 0.374 4.691 4.320 -0.006 0.000 0.308 804 A C 0.384 177.972 177.584 0.008 0.000 1.175 804 A CA -0.733 51.314 52.037 0.017 0.000 1.018 804 A CB -0.215 18.797 19.000 0.019 0.000 1.088 804 A HN 0.874 nan 8.150 nan 0.000 0.567 805 Q N 0.128 119.931 119.800 0.004 0.000 2.177 805 Q HA 0.478 4.814 4.340 -0.006 0.000 0.183 805 Q C 0.897 176.896 176.000 -0.001 0.000 1.040 805 Q CA -0.040 55.764 55.803 0.001 0.000 1.089 805 Q CB 0.651 29.389 28.738 0.001 0.000 1.130 805 Q HN 0.648 nan 8.270 nan 0.000 0.575 829 V N 1.202 121.116 119.914 -0.001 0.000 2.547 829 V HA 0.700 4.816 4.120 -0.006 0.000 0.299 829 V C -0.850 175.241 176.094 -0.005 0.000 1.040 829 V CA -0.794 61.505 62.300 -0.002 0.000 0.913 829 V CB 0.934 32.756 31.823 -0.001 0.000 0.992 829 V HN 0.421 nan 8.190 nan 0.000 0.449 830 K N 0.864 121.259 120.400 -0.008 0.000 6.650 830 K HA -0.122 4.194 4.320 -0.006 0.000 0.632 830 K C -0.596 175.996 176.600 -0.012 0.000 2.550 830 K CA 0.663 56.942 56.287 -0.014 0.000 1.969 830 K CB -0.266 32.222 32.500 -0.020 0.000 2.515 830 K HN 1.062 nan 8.250 nan 0.000 0.176 831 E N 1.496 121.687 120.200 -0.014 0.000 2.222 831 E HA 0.483 4.829 4.350 -0.006 0.000 0.267 831 E C -1.023 175.569 176.600 -0.014 0.000 0.963 831 E CA -1.008 55.385 56.400 -0.011 0.000 0.837 831 E CB 0.861 30.556 29.700 -0.009 0.000 1.183 831 E HN 0.277 nan 8.360 nan 0.000 0.403 832 L N 3.553 124.770 121.223 -0.011 0.000 2.262 832 L HA 0.274 4.610 4.340 -0.006 0.000 0.288 832 L C 0.839 177.703 176.870 -0.010 0.000 1.035 832 L CA 0.387 55.220 54.840 -0.011 0.000 0.820 832 L CB 1.041 43.096 42.059 -0.008 0.000 1.204 832 L HN 0.591 nan 8.230 nan 0.000 0.424 833 K N 1.653 122.047 120.400 -0.011 0.000 2.242 833 K HA 0.128 4.444 4.320 -0.006 0.000 0.200 833 K C 1.107 177.702 176.600 -0.008 0.000 1.050 833 K CA 0.559 56.840 56.287 -0.009 0.000 0.981 833 K CB 0.581 33.075 32.500 -0.010 0.000 0.795 833 K HN 0.457 nan 8.250 nan 0.000 0.477 834 V N 0.837 120.745 119.914 -0.009 0.000 2.950 834 V HA 0.106 4.223 4.120 -0.006 0.000 0.231 834 V C 0.813 176.903 176.094 -0.008 0.000 1.205 834 V CA -0.043 62.252 62.300 -0.008 0.000 1.239 834 V CB 0.123 31.941 31.823 -0.009 0.000 1.050 834 V HN 0.079 nan 8.190 nan 0.000 0.498 835 L N 2.802 124.021 121.223 -0.007 0.000 2.439 835 L HA 0.221 4.557 4.340 -0.006 0.000 0.269 835 L C 0.084 176.951 176.870 -0.006 0.000 1.179 835 L CA -0.387 54.450 54.840 -0.005 0.000 0.828 835 L CB 0.175 42.233 42.059 -0.002 0.000 1.106 835 L HN 0.467 nan 8.230 nan 0.000 0.467 836 D N 0.344 120.741 120.400 -0.006 0.000 2.357 836 D HA -0.028 4.609 4.640 -0.006 0.000 0.242 836 D C 0.969 177.265 176.300 -0.006 0.000 1.153 836 D CA -0.314 53.682 54.000 -0.006 0.000 0.918 836 D CB 0.926 41.722 40.800 -0.007 0.000 1.181 836 D HN 0.552 nan 8.370 nan 0.000 0.435 837 S N 0.037 115.734 115.700 -0.005 0.000 2.515 837 S HA -0.134 4.333 4.470 -0.006 0.000 0.231 837 S C 1.381 175.979 174.600 -0.004 0.000 0.987 837 S CA 0.343 58.541 58.200 -0.004 0.000 0.936 837 S CB -0.303 62.895 63.200 -0.003 0.000 0.766 837 S HN 0.468 nan 8.310 nan 0.000 0.528 838 K N 1.197 121.593 120.400 -0.006 0.000 1.991 838 K HA -0.085 4.232 4.320 -0.006 0.000 0.212 838 K C 2.203 178.796 176.600 -0.010 0.000 1.049 838 K CA 2.061 58.343 56.287 -0.008 0.000 0.932 838 K CB -0.617 31.877 32.500 -0.010 0.000 0.717 838 K HN 0.534 nan 8.250 nan 0.000 0.441 839 T N 0.271 114.818 114.554 -0.012 0.000 2.978 839 T HA 0.057 4.403 4.350 -0.006 0.000 0.262 839 T C 1.919 176.613 174.700 -0.009 0.000 1.063 839 T CA 0.818 62.908 62.100 -0.016 0.000 1.140 839 T CB 0.022 68.881 68.868 -0.016 0.000 0.886 839 T HN 0.221 nan 8.240 nan 0.000 0.470 840 A N 1.162 123.980 122.820 -0.004 0.000 2.119 840 A HA -0.005 4.312 4.320 -0.006 0.000 0.217 840 A C 2.245 179.831 177.584 0.003 0.000 1.153 840 A CA 1.072 53.110 52.037 0.000 0.000 0.692 840 A CB -0.488 18.512 19.000 -0.001 0.000 0.799 840 A HN 0.529 nan 8.150 nan 0.000 0.458 841 Q N -0.443 119.358 119.800 0.002 0.000 2.226 841 Q HA -0.107 4.230 4.340 -0.006 0.000 0.199 841 Q C 1.511 177.518 176.000 0.011 0.000 0.945 841 Q CA 1.128 56.934 55.803 0.006 0.000 0.861 841 Q CB -0.095 28.646 28.738 0.004 0.000 0.953 841 Q HN 0.587 nan 8.270 nan 0.000 0.490 842 N N 0.893 119.596 118.700 0.005 0.000 2.120 842 N HA -0.139 4.597 4.740 -0.006 0.000 0.188 842 N C 1.719 177.248 175.510 0.032 0.000 1.024 842 N CA 1.056 54.112 53.050 0.009 0.000 0.852 842 N CB -0.203 38.273 38.487 -0.019 0.000 1.003 842 N HN 0.207 nan 8.380 nan 0.000 0.424 843 L N -0.016 121.216 121.223 0.015 0.000 2.083 843 L HA -0.104 4.232 4.340 -0.006 0.000 0.209 843 L C 2.039 178.939 176.870 0.051 0.000 1.083 843 L CA 0.801 55.661 54.840 0.034 0.000 0.752 843 L CB -0.229 41.821 42.059 -0.015 0.000 0.899 843 L HN 0.141 nan 8.230 nan 0.000 0.433 844 S N -0.113 115.607 115.700 0.033 0.000 2.400 844 S HA -0.144 4.322 4.470 -0.006 0.000 0.232 844 S C 1.819 176.438 174.600 0.032 0.000 1.025 844 S CA 1.297 59.515 58.200 0.030 0.000 0.993 844 S CB -0.192 63.022 63.200 0.022 0.000 0.808 844 S HN 0.337 nan 8.310 nan 0.000 0.478 845 I N -0.177 120.420 120.570 0.046 0.000 2.339 845 I HA -0.052 4.115 4.170 -0.006 0.000 0.245 845 I C 2.079 178.234 176.117 0.064 0.000 1.096 845 I CA 0.830 62.158 61.300 0.048 0.000 1.408 845 I CB -0.420 37.612 38.000 0.052 0.000 1.092 845 I HN 0.221 nan 8.210 nan 0.000 0.423 846 F N 2.268 122.185 119.950 -0.056 0.000 2.126 846 F HA -0.188 4.336 4.527 -0.006 0.000 0.299 846 F C 2.076 177.840 175.800 -0.059 0.000 1.096 846 F CA 1.713 59.665 58.000 -0.080 0.000 1.255 846 F CB -0.318 38.582 39.000 -0.167 0.000 0.997 846 F HN -0.112 nan 8.300 nan 0.000 0.479 847 L N -0.168 120.907 121.223 -0.247 0.000 2.291 847 L HA -0.010 4.327 4.340 -0.006 0.000 0.214 847 L C 2.708 179.504 176.870 -0.123 0.000 1.120 847 L CA 0.857 55.543 54.840 -0.256 0.000 0.799 847 L CB -1.348 40.694 42.059 -0.029 0.000 0.925 847 L HN 0.345 nan 8.230 nan 0.000 0.446 848 G N -0.886 107.868 108.800 -0.076 0.000 2.443 848 G HA2 -0.179 3.777 3.960 -0.006 0.000 0.219 848 G HA3 -0.179 3.777 3.960 -0.006 0.000 0.219 848 G C 1.655 176.522 174.900 -0.055 0.000 1.131 848 G CA 0.816 45.891 45.100 -0.043 0.000 0.775 848 G HN 0.353 nan 8.290 nan 0.000 0.547 849 S N -0.598 115.056 115.700 -0.077 0.000 2.503 849 S HA 0.200 4.667 4.470 -0.006 0.000 0.217 849 S C 1.586 176.152 174.600 -0.056 0.000 0.999 849 S CA -0.207 57.962 58.200 -0.052 0.000 0.914 849 S CB -0.052 63.142 63.200 -0.010 0.000 0.782 849 S HN 0.311 nan 8.310 nan 0.000 0.520 850 F N 2.174 121.923 119.950 -0.335 0.000 2.262 850 F HA 0.211 4.735 4.527 -0.006 0.000 0.292 850 F C 1.339 177.022 175.800 -0.194 0.000 1.081 850 F CA 0.598 58.403 58.000 -0.325 0.000 1.355 850 F CB 0.178 38.836 39.000 -0.571 0.000 1.069 850 F HN -0.126 nan 8.300 nan 0.000 0.506 851 R N -0.552 119.907 120.500 -0.068 0.000 4.010 851 R HA -0.266 4.071 4.340 -0.006 0.000 0.409 851 R C 0.229 176.457 176.300 -0.120 0.000 1.120 851 R CA 1.057 57.093 56.100 -0.107 0.000 1.244 851 R CB -2.793 27.436 30.300 -0.120 0.000 1.799 851 R HN 0.384 nan 8.270 nan 0.000 0.559 852 M N 2.181 121.735 119.600 -0.077 0.000 2.180 852 M HA 0.250 4.727 4.480 -0.006 0.000 0.358 852 M C -1.891 174.389 176.300 -0.034 0.000 1.233 852 M CA -1.537 53.736 55.300 -0.044 0.000 1.114 852 M CB 1.028 33.625 32.600 -0.004 0.000 1.594 852 M HN -0.285 nan 8.290 nan 0.000 0.467 853 P HA -0.059 nan 4.420 nan 0.000 0.262 853 P C -0.606 176.710 177.300 0.027 0.000 1.182 853 P CA 0.287 63.317 63.100 -0.116 0.000 0.761 853 P CB 0.164 31.841 31.700 -0.038 0.000 0.795 854 Y N 0.765 121.179 120.300 0.190 0.000 2.207 854 Y HA -0.192 4.355 4.550 -0.006 0.000 0.287 854 Y C 2.228 178.199 175.900 0.119 0.000 1.156 854 Y CA 1.353 59.582 58.100 0.215 0.000 1.182 854 Y CB -0.963 37.642 38.460 0.243 0.000 0.979 854 Y HN 0.381 nan 8.280 nan 0.000 0.521 855 Q N 0.142 120.072 119.800 0.216 0.000 2.488 855 Q HA -0.134 4.202 4.340 -0.006 0.000 0.211 855 Q C 1.864 177.917 176.000 0.088 0.000 0.967 855 Q CA 0.715 56.586 55.803 0.113 0.000 0.926 855 Q CB 0.040 28.818 28.738 0.067 0.000 0.992 855 Q HN 0.671 nan 8.270 nan 0.000 0.506 856 E N 0.052 120.315 120.200 0.105 0.000 2.099 856 E HA -0.009 4.337 4.350 -0.006 0.000 0.191 856 E C 1.929 178.604 176.600 0.125 0.000 0.962 856 E CA 0.009 56.463 56.400 0.090 0.000 0.826 856 E CB 0.224 29.964 29.700 0.066 0.000 0.788 856 E HN 0.239 nan 8.360 nan 0.000 0.461 857 I N 1.849 122.535 120.570 0.193 0.000 2.151 857 I HA -0.337 3.830 4.170 -0.006 0.000 0.243 857 I C 2.750 178.964 176.117 0.161 0.000 1.080 857 I CA 1.396 62.843 61.300 0.245 0.000 1.339 857 I CB -0.369 37.867 38.000 0.393 0.000 1.039 857 I HN 0.105 nan 8.210 nan 0.000 0.409 858 K N 1.442 121.910 120.400 0.113 0.000 2.020 858 K HA -0.254 4.063 4.320 -0.006 0.000 0.212 858 K C 1.781 178.416 176.600 0.059 0.000 1.050 858 K CA 2.380 58.699 56.287 0.052 0.000 0.929 858 K CB -0.275 32.236 32.500 0.017 0.000 0.714 858 K HN 0.433 nan 8.250 nan 0.000 0.443 859 N N -0.212 118.526 118.700 0.064 0.000 2.223 859 N HA -0.134 4.603 4.740 -0.006 0.000 0.185 859 N C 1.656 177.205 175.510 0.065 0.000 1.016 859 N CA 1.080 54.163 53.050 0.056 0.000 0.863 859 N CB 0.087 38.602 38.487 0.047 0.000 0.983 859 N HN -0.003 nan 8.380 nan 0.000 0.429 860 V N 1.312 121.276 119.914 0.082 0.000 2.667 860 V HA -0.127 3.989 4.120 -0.006 0.000 0.252 860 V C 1.997 178.146 176.094 0.091 0.000 1.065 860 V CA 0.963 63.315 62.300 0.086 0.000 1.083 860 V CB -0.331 31.555 31.823 0.106 0.000 0.692 860 V HN 0.326 nan 8.190 nan 0.000 0.468 861 I N -0.233 120.395 120.570 0.096 0.000 2.286 861 I HA -0.114 4.053 4.170 -0.006 0.000 0.245 861 I C 2.243 178.419 176.117 0.097 0.000 1.104 861 I CA 1.641 62.997 61.300 0.093 0.000 1.397 861 I CB -0.840 37.207 38.000 0.078 0.000 1.072 861 I HN 0.279 nan 8.210 nan 0.000 0.417 862 L N 0.161 121.435 121.223 0.085 0.000 2.109 862 L HA -0.121 4.215 4.340 -0.006 0.000 0.207 862 L C 2.316 179.251 176.870 0.107 0.000 1.086 862 L CA 1.115 56.015 54.840 0.101 0.000 0.760 862 L CB -0.491 41.614 42.059 0.076 0.000 0.910 862 L HN 0.199 nan 8.230 nan 0.000 0.437 863 E N -0.374 119.873 120.200 0.078 0.000 2.274 863 E HA -0.048 4.298 4.350 -0.006 0.000 0.194 863 E C 0.515 177.145 176.600 0.050 0.000 0.996 863 E CA 0.381 56.817 56.400 0.059 0.000 0.840 863 E CB 0.360 30.087 29.700 0.045 0.000 0.772 863 E HN 0.142 nan 8.360 nan 0.000 0.491 864 V N 2.504 122.455 119.914 0.062 0.000 5.820 864 V HA -0.227 3.890 4.120 -0.006 0.000 0.300 864 V C -0.025 176.082 176.094 0.021 0.000 0.585 864 V CA 0.465 62.789 62.300 0.040 0.000 0.629 864 V CB -1.955 29.875 31.823 0.010 0.000 0.291 864 V HN 0.425 nan 8.190 nan 0.000 0.887 865 N N 0.955 119.675 118.700 0.033 0.000 2.406 865 N HA 0.050 4.787 4.740 -0.006 0.000 0.274 865 N C 1.141 176.662 175.510 0.019 0.000 1.249 865 N CA 0.448 53.513 53.050 0.025 0.000 0.951 865 N CB 1.171 39.677 38.487 0.032 0.000 1.241 865 N HN 0.667 nan 8.380 nan 0.000 0.485 866 E N 3.103 123.307 120.200 0.007 0.000 2.110 866 E HA -0.102 4.245 4.350 -0.006 0.000 0.193 866 E C 1.552 178.157 176.600 0.008 0.000 0.988 866 E CA 1.408 57.809 56.400 0.001 0.000 0.804 866 E CB 0.033 29.729 29.700 -0.007 0.000 0.745 866 E HN 0.705 nan 8.360 nan 0.000 0.458 867 A N -0.469 122.356 122.820 0.009 0.000 2.014 867 A HA -0.070 4.247 4.320 -0.006 0.000 0.218 867 A C 2.185 179.775 177.584 0.009 0.000 1.163 867 A CA 1.272 53.314 52.037 0.007 0.000 0.652 867 A CB -0.015 18.987 19.000 0.004 0.000 0.808 867 A HN 0.182 nan 8.150 nan 0.000 0.449 868 V N -0.421 119.504 119.914 0.017 0.000 2.949 868 V HA 0.144 4.260 4.120 -0.006 0.000 0.245 868 V C 0.925 177.044 176.094 0.040 0.000 1.086 868 V CA 0.232 62.544 62.300 0.021 0.000 1.097 868 V CB -0.546 31.294 31.823 0.028 0.000 0.762 868 V HN 0.391 nan 8.190 nan 0.000 0.470 869 L N 1.950 123.202 121.223 0.048 0.000 2.349 869 L HA 0.449 4.786 4.340 -0.006 0.000 0.275 869 L C 0.355 177.257 176.870 0.054 0.000 1.115 869 L CA 0.292 55.171 54.840 0.066 0.000 0.820 869 L CB 1.098 43.191 42.059 0.057 0.000 1.135 869 L HN 0.355 nan 8.230 nan 0.000 0.445 870 T N -2.488 112.110 114.554 0.074 0.000 2.906 870 T HA 0.196 4.543 4.350 -0.006 0.000 0.295 870 T C 0.589 175.333 174.700 0.074 0.000 1.075 870 T CA -0.833 61.304 62.100 0.063 0.000 1.005 870 T CB 1.921 70.825 68.868 0.060 0.000 1.136 870 T HN 0.678 nan 8.240 nan 0.000 0.498 871 E N 0.678 120.914 120.200 0.060 0.000 2.130 871 E HA -0.229 4.118 4.350 -0.006 0.000 0.196 871 E C 1.924 178.571 176.600 0.077 0.000 0.998 871 E CA 1.784 58.222 56.400 0.063 0.000 0.806 871 E CB -0.152 29.580 29.700 0.053 0.000 0.738 871 E HN 0.644 nan 8.360 nan 0.000 0.459 872 S N -0.041 115.709 115.700 0.084 0.000 2.355 872 S HA -0.193 4.274 4.470 -0.006 0.000 0.222 872 S C 2.092 176.778 174.600 0.144 0.000 1.031 872 S CA 1.346 59.606 58.200 0.101 0.000 0.993 872 S CB -0.306 62.951 63.200 0.094 0.000 0.859 872 S HN 0.458 nan 8.310 nan 0.000 0.453 873 M N 0.874 120.582 119.600 0.180 0.000 2.065 873 M HA -0.114 4.362 4.480 -0.006 0.000 0.259 873 M C 1.833 178.260 176.300 0.212 0.000 1.071 873 M CA 1.973 57.442 55.300 0.282 0.000 1.109 873 M CB -0.412 32.370 32.600 0.305 0.000 1.313 873 M HN 0.341 nan 8.290 nan 0.000 0.408 874 I N 0.582 121.243 120.570 0.152 0.000 2.163 874 I HA -0.328 3.839 4.170 -0.006 0.000 0.243 874 I C 2.414 178.572 176.117 0.068 0.000 1.085 874 I CA 1.773 63.137 61.300 0.106 0.000 1.347 874 I CB -1.625 36.428 38.000 0.089 0.000 1.044 874 I HN 0.548 nan 8.210 nan 0.000 0.408 875 Q N 0.415 120.256 119.800 0.068 0.000 2.181 875 Q HA -0.231 4.106 4.340 -0.006 0.000 0.205 875 Q C 1.954 177.956 176.000 0.005 0.000 0.980 875 Q CA 1.831 57.659 55.803 0.041 0.000 0.862 875 Q CB -0.093 28.675 28.738 0.051 0.000 0.905 875 Q HN 0.617 nan 8.270 nan 0.000 0.429 876 N N -0.404 118.308 118.700 0.020 0.000 2.135 876 N HA -0.107 4.630 4.740 -0.006 0.000 0.186 876 N C 1.646 176.986 175.510 -0.284 0.000 1.027 876 N CA 0.742 53.753 53.050 -0.065 0.000 0.849 876 N CB 0.004 38.569 38.487 0.130 0.000 1.002 876 N HN 0.112 nan 8.380 nan 0.000 0.425 877 L N 1.103 122.218 121.223 -0.181 0.000 1.990 877 L HA -0.208 4.128 4.340 -0.006 0.000 0.213 877 L C 2.122 178.900 176.870 -0.153 0.000 1.072 877 L CA 0.910 55.636 54.840 -0.191 0.000 0.755 877 L CB -0.584 41.478 42.059 0.004 0.000 0.889 877 L HN 0.250 nan 8.230 nan 0.000 0.432 878 I N 0.253 120.778 120.570 -0.076 0.000 2.091 878 I HA -0.413 3.753 4.170 -0.006 0.000 0.240 878 I C 2.617 178.678 176.117 -0.093 0.000 1.046 878 I CA 2.007 63.273 61.300 -0.055 0.000 1.306 878 I CB -0.973 37.015 38.000 -0.020 0.000 1.018 878 I HN 0.400 nan 8.210 nan 0.000 0.404 879 K N 0.311 120.637 120.400 -0.124 0.000 2.057 879 K HA -0.197 4.119 4.320 -0.006 0.000 0.207 879 K C 2.086 178.570 176.600 -0.194 0.000 1.049 879 K CA 1.285 57.492 56.287 -0.134 0.000 0.931 879 K CB 0.092 32.519 32.500 -0.121 0.000 0.714 879 K HN 0.278 nan 8.250 nan 0.000 0.440 880 Q N -0.288 119.308 119.800 -0.340 0.000 2.398 880 Q HA 0.064 4.401 4.340 -0.006 0.000 0.204 880 Q C 0.344 176.190 176.000 -0.257 0.000 0.932 880 Q CA 0.315 55.855 55.803 -0.439 0.000 0.916 880 Q CB 0.225 28.333 28.738 -1.050 0.000 1.024 880 Q HN 0.312 nan 8.270 nan 0.000 0.504 881 M N 2.301 121.807 119.600 -0.157 0.000 2.248 881 M HA 0.117 4.594 4.480 -0.006 0.000 0.345 881 M C -2.033 174.249 176.300 -0.029 0.000 1.243 881 M CA -1.601 53.681 55.300 -0.030 0.000 1.090 881 M CB -0.355 32.237 32.600 -0.014 0.000 1.683 881 M HN -0.151 nan 8.290 nan 0.000 0.450 882 P HA 0.160 nan 4.420 nan 0.000 0.278 882 P C -0.721 176.570 177.300 -0.016 0.000 1.238 882 P CA -0.441 62.654 63.100 -0.009 0.000 0.794 882 P CB 0.316 32.020 31.700 0.006 0.000 0.955 883 E N 3.490 123.678 120.200 -0.020 0.000 2.415 883 E HA 0.005 4.351 4.350 -0.006 0.000 0.262 883 E C -1.784 174.801 176.600 -0.025 0.000 1.038 883 E CA -1.457 54.929 56.400 -0.023 0.000 0.921 883 E CB -0.501 29.186 29.700 -0.021 0.000 0.950 883 E HN 0.288 nan 8.360 nan 0.000 0.438 884 P HA -0.245 nan 4.420 nan 0.000 0.218 884 P C 0.750 178.030 177.300 -0.033 0.000 1.147 884 P CA 1.569 64.648 63.100 -0.035 0.000 0.827 884 P CB 0.136 31.814 31.700 -0.037 0.000 0.778 885 E N -0.599 119.585 120.200 -0.027 0.000 2.058 885 E HA -0.229 4.118 4.350 -0.006 0.000 0.194 885 E C 2.027 178.613 176.600 -0.023 0.000 0.997 885 E CA 1.166 57.551 56.400 -0.024 0.000 0.801 885 E CB -0.438 29.251 29.700 -0.020 0.000 0.746 885 E HN 0.459 nan 8.360 nan 0.000 0.450 886 Q N 0.028 119.815 119.800 -0.021 0.000 2.331 886 Q HA 0.028 4.364 4.340 -0.006 0.000 0.203 886 Q C 2.151 178.138 176.000 -0.022 0.000 0.944 886 Q CA 0.363 56.155 55.803 -0.018 0.000 0.892 886 Q CB 0.210 28.940 28.738 -0.014 0.000 0.983 886 Q HN 0.278 nan 8.270 nan 0.000 0.482 887 L N 0.653 121.858 121.223 -0.029 0.000 2.072 887 L HA -0.144 4.193 4.340 -0.006 0.000 0.205 887 L C 2.533 179.380 176.870 -0.039 0.000 1.079 887 L CA 1.035 55.851 54.840 -0.039 0.000 0.752 887 L CB -0.323 41.705 42.059 -0.052 0.000 0.906 887 L HN 0.163 nan 8.230 nan 0.000 0.436 888 K N 0.595 120.973 120.400 -0.037 0.000 2.009 888 K HA -0.197 4.119 4.320 -0.006 0.000 0.210 888 K C 2.055 178.639 176.600 -0.027 0.000 1.049 888 K CA 1.637 57.903 56.287 -0.035 0.000 0.929 888 K CB -0.105 32.375 32.500 -0.034 0.000 0.714 888 K HN 0.247 nan 8.250 nan 0.000 0.440 889 M N 0.646 120.232 119.600 -0.022 0.000 2.539 889 M HA -0.115 4.361 4.480 -0.006 0.000 0.261 889 M C 1.784 178.075 176.300 -0.014 0.000 1.069 889 M CA 0.943 56.233 55.300 -0.017 0.000 1.081 889 M CB 0.030 32.621 32.600 -0.015 0.000 1.412 889 M HN 0.160 nan 8.290 nan 0.000 0.482 890 L N -0.906 120.307 121.223 -0.017 0.000 2.463 890 L HA 0.025 4.361 4.340 -0.006 0.000 0.219 890 L C 2.124 178.989 176.870 -0.009 0.000 1.088 890 L CA 0.360 55.193 54.840 -0.012 0.000 0.849 890 L CB 0.108 42.157 42.059 -0.017 0.000 1.012 890 L HN 0.265 nan 8.230 nan 0.000 0.468 891 S N -2.073 113.616 115.700 -0.019 0.000 2.605 891 S HA 0.070 4.537 4.470 -0.006 0.000 0.217 891 S C 1.090 175.682 174.600 -0.014 0.000 0.958 891 S CA -0.162 58.027 58.200 -0.019 0.000 0.919 891 S CB -0.008 63.171 63.200 -0.035 0.000 0.780 891 S HN 0.375 nan 8.310 nan 0.000 0.507 892 E N 0.147 120.341 120.200 -0.010 0.000 2.474 892 E HA 0.246 4.592 4.350 -0.006 0.000 0.195 892 E C -0.309 176.291 176.600 0.002 0.000 1.039 892 E CA 0.048 56.444 56.400 -0.007 0.000 0.881 892 E CB 0.232 29.926 29.700 -0.010 0.000 0.970 892 E HN 0.325 nan 8.360 nan 0.000 0.486 893 L N 0.395 121.623 121.223 0.009 0.000 3.218 893 L HA 0.178 4.514 4.340 -0.006 0.000 0.279 893 L C 0.983 177.879 176.870 0.044 0.000 1.287 893 L CA 0.242 55.094 54.840 0.020 0.000 1.024 893 L CB 0.416 42.484 42.059 0.014 0.000 1.409 893 L HN -0.132 nan 8.230 nan 0.000 0.580 894 K N -0.218 120.205 120.400 0.039 0.000 2.097 894 K HA -0.143 4.173 4.320 -0.006 0.000 0.205 894 K C 1.719 178.364 176.600 0.076 0.000 1.050 894 K CA 1.184 57.505 56.287 0.056 0.000 0.938 894 K CB 0.249 32.756 32.500 0.012 0.000 0.718 894 K HN 0.360 nan 8.250 nan 0.000 0.442 895 E N 1.905 122.135 120.200 0.050 0.000 2.023 895 E HA -0.193 4.154 4.350 -0.006 0.000 0.196 895 E C 0.517 177.169 176.600 0.086 0.000 1.003 895 E CA 1.168 57.599 56.400 0.051 0.000 0.809 895 E CB 0.100 29.818 29.700 0.030 0.000 0.755 895 E HN 0.353 nan 8.360 nan 0.000 0.449 896 E N 0.388 120.633 120.200 0.074 0.000 2.860 896 E HA -0.117 4.229 4.350 -0.006 0.000 0.318 896 E C 0.500 177.158 176.600 0.097 0.000 1.481 896 E CA -0.178 56.264 56.400 0.070 0.000 1.613 896 E CB -0.322 29.400 29.700 0.036 0.000 1.279 896 E HN 0.435 nan 8.360 nan 0.000 0.489 897 Y N 2.183 122.488 120.300 0.008 0.000 2.337 897 Y HA -0.111 4.436 4.550 -0.006 0.000 0.293 897 Y C 1.404 177.318 175.900 0.023 0.000 1.123 897 Y CA 1.533 59.641 58.100 0.013 0.000 1.201 897 Y CB 0.386 38.856 38.460 0.016 0.000 1.011 897 Y HN 0.167 nan 8.280 nan 0.000 0.545 898 D N -0.310 120.107 120.400 0.029 0.000 2.234 898 D HA -0.131 4.505 4.640 -0.006 0.000 0.205 898 D C 1.069 177.326 176.300 -0.071 0.000 0.962 898 D CA 1.023 55.001 54.000 -0.037 0.000 0.855 898 D CB -0.100 40.739 40.800 0.065 0.000 0.951 898 D HN 0.500 nan 8.370 nan 0.000 0.500 899 D N 0.577 120.949 120.400 -0.046 0.000 2.347 899 D HA 0.026 4.662 4.640 -0.006 0.000 0.215 899 D C 1.022 177.286 176.300 -0.061 0.000 0.976 899 D CA 0.200 54.177 54.000 -0.038 0.000 0.884 899 D CB 0.754 41.545 40.800 -0.015 0.000 0.915 899 D HN 0.222 nan 8.370 nan 0.000 0.526 900 L N 0.677 121.835 121.223 -0.109 0.000 2.439 900 L HA 0.348 4.684 4.340 -0.006 0.000 0.261 900 L C 0.809 177.614 176.870 -0.109 0.000 1.153 900 L CA -0.774 54.001 54.840 -0.109 0.000 0.808 900 L CB 0.904 42.882 42.059 -0.135 0.000 1.126 900 L HN -0.138 nan 8.230 nan 0.000 0.460 901 A N 1.010 123.788 122.820 -0.071 0.000 2.313 901 A HA 0.149 4.466 4.320 -0.006 0.000 0.261 901 A C 1.063 178.620 177.584 -0.046 0.000 1.090 901 A CA -0.219 51.791 52.037 -0.045 0.000 0.807 901 A CB 0.249 19.235 19.000 -0.023 0.000 1.055 901 A HN 0.918 nan 8.150 nan 0.000 0.492 902 E N 0.249 120.449 120.200 0.000 0.000 2.070 902 E HA -0.242 4.104 4.350 -0.006 0.000 0.197 902 E C 2.334 178.935 176.600 0.002 0.000 1.004 902 E CA 2.008 58.441 56.400 0.054 0.000 0.805 902 E CB -0.162 29.601 29.700 0.105 0.000 0.744 902 E HN 0.870 nan 8.360 nan 0.000 0.451 903 S N 0.915 116.616 115.700 0.002 0.000 2.356 903 S HA -0.192 4.275 4.470 -0.006 0.000 0.223 903 S C 1.819 176.424 174.600 0.008 0.000 1.032 903 S CA 1.162 59.364 58.200 0.004 0.000 1.005 903 S CB -0.308 62.897 63.200 0.009 0.000 0.867 903 S HN 0.243 nan 8.310 nan 0.000 0.449 904 E N 1.031 121.217 120.200 -0.022 0.000 2.208 904 E HA -0.075 4.272 4.350 -0.006 0.000 0.193 904 E C 2.417 178.975 176.600 -0.069 0.000 0.988 904 E CA 0.742 57.124 56.400 -0.029 0.000 0.828 904 E CB -0.193 29.487 29.700 -0.034 0.000 0.763 904 E HN 0.682 nan 8.360 nan 0.000 0.478 905 Q N 0.014 119.729 119.800 -0.141 0.000 2.084 905 Q HA -0.167 4.169 4.340 -0.006 0.000 0.202 905 Q C 1.957 177.809 176.000 -0.248 0.000 0.978 905 Q CA 1.143 56.818 55.803 -0.213 0.000 0.844 905 Q CB -0.175 28.400 28.738 -0.272 0.000 0.898 905 Q HN 0.243 nan 8.270 nan 0.000 0.426 906 F N 0.738 120.294 119.950 -0.657 0.000 2.069 906 F HA -0.163 4.360 4.527 -0.006 0.000 0.298 906 F C 2.047 177.718 175.800 -0.216 0.000 1.113 906 F CA 1.909 59.530 58.000 -0.632 0.000 1.214 906 F CB -0.721 37.985 39.000 -0.489 0.000 0.978 906 F HN 0.029 nan 8.300 nan 0.000 0.474 907 G N -0.045 108.698 108.800 -0.095 0.000 2.440 907 G HA2 -0.240 3.717 3.960 -0.006 0.000 0.218 907 G HA3 -0.240 3.717 3.960 -0.006 0.000 0.218 907 G C 1.734 176.553 174.900 -0.134 0.000 1.154 907 G CA 1.275 46.303 45.100 -0.120 0.000 0.767 907 G HN 0.361 nan 8.290 nan 0.000 0.552 908 V N 0.390 120.268 119.914 -0.061 0.000 2.490 908 V HA -0.161 3.955 4.120 -0.006 0.000 0.250 908 V C 2.964 179.036 176.094 -0.037 0.000 1.061 908 V CA 1.384 63.683 62.300 -0.001 0.000 1.064 908 V CB -0.232 31.668 31.823 0.128 0.000 0.670 908 V HN 0.258 nan 8.190 nan 0.000 0.461 909 V N -0.623 119.243 119.914 -0.080 0.000 2.283 909 V HA -0.214 3.902 4.120 -0.006 0.000 0.243 909 V C 2.399 178.386 176.094 -0.179 0.000 1.039 909 V CA 1.746 63.979 62.300 -0.111 0.000 1.016 909 V CB -0.487 31.288 31.823 -0.080 0.000 0.650 909 V HN 0.411 nan 8.190 nan 0.000 0.449 910 M N 0.448 119.860 119.600 -0.313 0.000 2.460 910 M HA 0.010 4.486 4.480 -0.006 0.000 0.263 910 M C 2.202 178.398 176.300 -0.174 0.000 1.071 910 M CA 1.522 56.644 55.300 -0.297 0.000 1.096 910 M CB -1.719 30.599 32.600 -0.469 0.000 1.408 910 M HN 0.430 nan 8.290 nan 0.000 0.463 911 G N 0.605 109.320 108.800 -0.141 0.000 2.443 911 G HA2 -0.154 3.803 3.960 -0.006 0.000 0.219 911 G HA3 -0.154 3.803 3.960 -0.006 0.000 0.219 911 G C 1.443 176.291 174.900 -0.087 0.000 1.131 911 G CA 1.361 46.403 45.100 -0.098 0.000 0.775 911 G HN 0.561 nan 8.290 nan 0.000 0.547 912 T N -1.028 113.474 114.554 -0.086 0.000 3.129 912 T HA 0.274 4.621 4.350 -0.006 0.000 0.251 912 T C 0.604 175.259 174.700 -0.076 0.000 1.117 912 T CA -0.235 61.821 62.100 -0.074 0.000 1.034 912 T CB 0.233 69.061 68.868 -0.065 0.000 0.968 912 T HN -0.068 nan 8.240 nan 0.000 0.526 913 V N 3.698 123.560 119.914 -0.086 0.000 2.408 913 V HA 0.311 4.427 4.120 -0.006 0.000 0.267 913 V C -2.271 173.758 176.094 -0.110 0.000 1.047 913 V CA -2.136 60.115 62.300 -0.080 0.000 0.937 913 V CB 0.498 32.276 31.823 -0.074 0.000 0.999 913 V HN 0.236 nan 8.190 nan 0.000 0.472 914 P HA 0.215 nan 4.420 nan 0.000 0.271 914 P C 0.021 177.136 177.300 -0.308 0.000 1.220 914 P CA -0.363 62.599 63.100 -0.230 0.000 0.768 914 P CB 0.279 31.809 31.700 -0.282 0.000 0.848 915 R N 2.148 122.474 120.500 -0.289 0.000 2.939 915 R HA -0.185 4.152 4.340 -0.006 0.000 0.255 915 R C 0.799 177.015 176.300 -0.139 0.000 0.882 915 R CA 0.154 56.107 56.100 -0.245 0.000 0.658 915 R CB -1.726 28.336 30.300 -0.396 0.000 1.447 915 R HN 0.619 nan 8.270 nan 0.000 0.506 916 L N 0.741 121.904 121.223 -0.100 0.000 1.988 916 L HA -0.189 4.148 4.340 -0.006 0.000 0.207 916 L C 2.518 179.368 176.870 -0.032 0.000 1.071 916 L CA 1.919 56.720 54.840 -0.064 0.000 0.744 916 L CB -0.195 41.825 42.059 -0.063 0.000 0.893 916 L HN 0.387 nan 8.230 nan 0.000 0.433 917 R N 0.008 120.492 120.500 -0.027 0.000 2.119 917 R HA -0.183 4.153 4.340 -0.006 0.000 0.246 917 R C -0.621 175.691 176.300 0.019 0.000 1.146 917 R CA 2.035 58.131 56.100 -0.006 0.000 0.962 917 R CB -1.284 29.009 30.300 -0.012 0.000 0.863 917 R HN 0.318 nan 8.270 nan 0.000 0.442 918 P HA -0.125 nan 4.420 nan 0.000 0.215 918 P C 0.678 178.033 177.300 0.091 0.000 1.157 918 P CA 1.146 64.294 63.100 0.080 0.000 0.859 918 P CB -0.097 31.675 31.700 0.120 0.000 0.786 919 R N -0.361 120.143 120.500 0.007 0.000 2.103 919 R HA -0.160 4.177 4.340 -0.006 0.000 0.242 919 R C 1.895 178.239 176.300 0.073 0.000 1.142 919 R CA 1.465 57.484 56.100 -0.134 0.000 0.960 919 R CB -0.883 29.284 30.300 -0.221 0.000 0.858 919 R HN 0.077 nan 8.270 nan 0.000 0.439 920 L N 1.283 122.540 121.223 0.056 0.000 2.109 920 L HA -0.097 4.240 4.340 -0.006 0.000 0.207 920 L C 1.943 178.870 176.870 0.094 0.000 1.086 920 L CA 1.481 56.365 54.840 0.074 0.000 0.760 920 L CB -0.804 41.282 42.059 0.045 0.000 0.910 920 L HN 0.201 nan 8.230 nan 0.000 0.437 921 N N -0.229 118.529 118.700 0.095 0.000 2.120 921 N HA -0.153 4.583 4.740 -0.006 0.000 0.188 921 N C 1.829 177.436 175.510 0.161 0.000 1.024 921 N CA 1.532 54.647 53.050 0.108 0.000 0.852 921 N CB -0.158 38.379 38.487 0.083 0.000 1.003 921 N HN 0.360 nan 8.380 nan 0.000 0.424 922 A N 1.276 124.215 122.820 0.198 0.000 1.902 922 A HA -0.072 4.244 4.320 -0.006 0.000 0.217 922 A C 2.358 180.003 177.584 0.101 0.000 1.181 922 A CA 0.904 53.076 52.037 0.225 0.000 0.623 922 A CB -0.664 18.521 19.000 0.309 0.000 0.818 922 A HN 0.225 nan 8.150 nan 0.000 0.443 923 I N -0.920 119.712 120.570 0.102 0.000 2.208 923 I HA -0.257 3.910 4.170 -0.006 0.000 0.245 923 I C 2.457 178.567 176.117 -0.012 0.000 1.097 923 I CA 1.323 62.627 61.300 0.006 0.000 1.363 923 I CB -0.306 37.733 38.000 0.065 0.000 1.051 923 I HN 0.411 nan 8.210 nan 0.000 0.413 924 L N 0.489 121.753 121.223 0.068 0.000 1.961 924 L HA -0.262 4.074 4.340 -0.006 0.000 0.210 924 L C 2.394 179.340 176.870 0.127 0.000 1.072 924 L CA 1.833 56.727 54.840 0.090 0.000 0.749 924 L CB -0.835 41.293 42.059 0.113 0.000 0.889 924 L HN 0.174 nan 8.230 nan 0.000 0.432 925 F N 0.725 120.695 119.950 0.033 0.000 2.141 925 F HA -0.328 4.196 4.527 -0.006 0.000 0.300 925 F C 2.449 178.302 175.800 0.088 0.000 1.079 925 F CA 2.322 60.383 58.000 0.102 0.000 1.264 925 F CB -0.477 38.608 39.000 0.141 0.000 1.011 925 F HN 0.214 nan 8.300 nan 0.000 0.487 926 K N 0.379 120.538 120.400 -0.402 0.000 1.984 926 K HA -0.127 4.189 4.320 -0.006 0.000 0.209 926 K C 2.109 178.528 176.600 -0.303 0.000 1.046 926 K CA 1.905 57.674 56.287 -0.863 0.000 0.934 926 K CB -0.456 31.377 32.500 -1.112 0.000 0.717 926 K HN 0.397 nan 8.250 nan 0.000 0.438 927 L N 0.693 121.818 121.223 -0.163 0.000 2.353 927 L HA -0.156 4.181 4.340 -0.006 0.000 0.220 927 L C 2.060 178.938 176.870 0.014 0.000 1.133 927 L CA 1.042 55.853 54.840 -0.048 0.000 0.798 927 L CB -0.210 41.839 42.059 -0.016 0.000 0.922 927 L HN 0.338 nan 8.230 nan 0.000 0.445 928 Q N -1.692 118.131 119.800 0.038 0.000 2.282 928 Q HA 0.025 4.362 4.340 -0.006 0.000 0.206 928 Q C 1.582 177.640 176.000 0.096 0.000 0.878 928 Q CA -0.048 55.805 55.803 0.083 0.000 0.944 928 Q CB 0.369 29.189 28.738 0.137 0.000 1.100 928 Q HN 0.389 nan 8.270 nan 0.000 0.509 929 F N 1.010 120.912 119.950 -0.080 0.000 2.074 929 F HA -0.193 4.331 4.527 -0.005 0.000 0.293 929 F C 2.441 178.239 175.800 -0.003 0.000 1.116 929 F CA 1.823 59.772 58.000 -0.085 0.000 1.212 929 F CB -0.313 38.626 39.000 -0.102 0.000 0.998 929 F HN 0.038 nan 8.300 nan 0.000 0.471 930 S N -0.582 115.140 115.700 0.037 0.000 2.399 930 S HA -0.253 4.214 4.470 -0.006 0.000 0.231 930 S C 2.014 176.552 174.600 -0.104 0.000 1.022 930 S CA 1.390 59.555 58.200 -0.058 0.000 0.983 930 S CB -0.880 62.357 63.200 0.063 0.000 0.803 930 S HN 0.664 nan 8.310 nan 0.000 0.480 931 E N 1.532 121.698 120.200 -0.057 0.000 2.106 931 E HA -0.212 4.135 4.350 -0.006 0.000 0.192 931 E C 2.349 178.910 176.600 -0.065 0.000 0.984 931 E CA 1.337 57.713 56.400 -0.040 0.000 0.806 931 E CB -0.145 29.554 29.700 -0.002 0.000 0.750 931 E HN 0.960 nan 8.360 nan 0.000 0.458 932 Q N -0.451 119.288 119.800 -0.102 0.000 2.424 932 Q HA 0.016 4.353 4.340 -0.006 0.000 0.204 932 Q C 1.785 177.689 176.000 -0.160 0.000 0.933 932 Q CA 0.424 56.173 55.803 -0.090 0.000 0.929 932 Q CB 0.402 29.129 28.738 -0.019 0.000 1.037 932 Q HN 0.074 nan 8.270 nan 0.000 0.511 933 V N 1.567 121.313 119.914 -0.280 0.000 2.453 933 V HA -0.169 3.948 4.120 -0.006 0.000 0.247 933 V C 1.509 177.527 176.094 -0.126 0.000 1.048 933 V CA 1.865 64.015 62.300 -0.251 0.000 1.049 933 V CB -0.303 31.320 31.823 -0.334 0.000 0.672 933 V HN 0.388 nan 8.190 nan 0.000 0.457 934 E N 0.012 120.152 120.200 -0.100 0.000 2.511 934 E HA -0.052 4.294 4.350 -0.006 0.000 0.196 934 E C 1.550 178.126 176.600 -0.039 0.000 1.066 934 E CA 0.304 56.671 56.400 -0.055 0.000 0.871 934 E CB -0.167 29.508 29.700 -0.041 0.000 0.863 934 E HN 0.705 nan 8.360 nan 0.000 0.520 935 N N -0.216 118.458 118.700 -0.044 0.000 2.415 935 N HA 0.008 4.744 4.740 -0.006 0.000 0.174 935 N C 1.391 176.889 175.510 -0.020 0.000 1.048 935 N CA 0.201 53.236 53.050 -0.025 0.000 0.895 935 N CB 0.455 38.931 38.487 -0.017 0.000 1.036 935 N HN 0.076 nan 8.380 nan 0.000 0.449 936 I N 0.862 121.413 120.570 -0.031 0.000 2.556 936 I HA -0.037 4.129 4.170 -0.006 0.000 0.251 936 I C 2.183 178.290 176.117 -0.017 0.000 1.105 936 I CA 0.834 62.121 61.300 -0.021 0.000 1.436 936 I CB -1.001 36.981 38.000 -0.031 0.000 1.139 936 I HN 0.025 nan 8.210 nan 0.000 0.438 937 K N 1.514 121.896 120.400 -0.030 0.000 1.978 937 K HA -0.146 4.170 4.320 -0.006 0.000 0.214 937 K C -0.172 176.418 176.600 -0.018 0.000 1.049 937 K CA 1.950 58.222 56.287 -0.026 0.000 0.939 937 K CB -1.117 31.363 32.500 -0.033 0.000 0.721 937 K HN 0.132 nan 8.250 nan 0.000 0.441 938 P HA -0.185 nan 4.420 nan 0.000 0.216 938 P C 0.668 177.966 177.300 -0.004 0.000 1.154 938 P CA 1.606 64.703 63.100 -0.005 0.000 0.865 938 P CB -0.049 31.650 31.700 -0.001 0.000 0.789 939 E N -1.018 119.179 120.200 -0.005 0.000 2.150 939 E HA -0.108 4.239 4.350 -0.006 0.000 0.193 939 E C 1.950 178.545 176.600 -0.009 0.000 0.985 939 E CA 0.781 57.178 56.400 -0.005 0.000 0.814 939 E CB -0.420 29.281 29.700 0.002 0.000 0.752 939 E HN 0.243 nan 8.360 nan 0.000 0.466 940 I N 1.013 121.582 120.570 -0.001 0.000 2.315 940 I HA -0.189 3.977 4.170 -0.006 0.000 0.248 940 I C 2.455 178.549 176.117 -0.039 0.000 1.117 940 I CA 0.967 62.267 61.300 0.002 0.000 1.404 940 I CB -0.983 37.027 38.000 0.017 0.000 1.071 940 I HN -0.019 nan 8.210 nan 0.000 0.419 941 V N 0.594 120.478 119.914 -0.051 0.000 2.358 941 V HA -0.195 3.922 4.120 -0.006 0.000 0.246 941 V C 2.608 178.608 176.094 -0.157 0.000 1.047 941 V CA 1.755 63.996 62.300 -0.097 0.000 1.035 941 V CB -0.875 30.898 31.823 -0.084 0.000 0.658 941 V HN 0.338 nan 8.190 nan 0.000 0.452 942 S N 0.353 116.001 115.700 -0.088 0.000 2.370 942 S HA -0.171 4.296 4.470 -0.006 0.000 0.226 942 S C 1.951 176.455 174.600 -0.160 0.000 1.033 942 S CA 1.670 59.839 58.200 -0.051 0.000 1.011 942 S CB -0.283 62.932 63.200 0.025 0.000 0.852 942 S HN 0.420 nan 8.310 nan 0.000 0.457 943 V N 1.513 121.336 119.914 -0.152 0.000 2.719 943 V HA -0.080 4.037 4.120 -0.006 0.000 0.252 943 V C 2.346 178.356 176.094 -0.141 0.000 1.065 943 V CA 1.645 63.827 62.300 -0.196 0.000 1.086 943 V CB -1.169 30.591 31.823 -0.104 0.000 0.700 943 V HN 0.497 nan 8.190 nan 0.000 0.467 944 T N 0.816 115.301 114.554 -0.116 0.000 2.737 944 T HA -0.106 4.240 4.350 -0.006 0.000 0.265 944 T C 2.161 176.794 174.700 -0.113 0.000 1.038 944 T CA 1.594 63.643 62.100 -0.086 0.000 1.144 944 T CB -0.388 68.428 68.868 -0.087 0.000 0.866 944 T HN 0.537 nan 8.240 nan 0.000 0.434 945 A N 1.803 124.492 122.820 -0.219 0.000 1.865 945 A HA 0.112 4.428 4.320 -0.006 0.000 0.217 945 A C 2.699 180.208 177.584 -0.125 0.000 1.191 945 A CA 1.999 53.877 52.037 -0.265 0.000 0.623 945 A CB -1.329 17.242 19.000 -0.716 0.000 0.826 945 A HN 0.507 nan 8.150 nan 0.000 0.444 946 A N -1.287 121.434 122.820 -0.165 0.000 1.940 946 A HA -0.213 4.103 4.320 -0.006 0.000 0.219 946 A C 2.278 179.906 177.584 0.073 0.000 1.176 946 A CA 1.794 53.725 52.037 -0.178 0.000 0.631 946 A CB -1.302 17.274 19.000 -0.707 0.000 0.814 946 A HN 0.613 nan 8.150 nan 0.000 0.446 947 C N -0.928 118.452 119.300 0.134 0.000 2.432 947 C HA -0.027 4.429 4.460 -0.006 0.000 0.280 947 C C 2.577 177.696 174.990 0.215 0.000 1.353 947 C CA 1.184 60.411 59.018 0.349 0.000 1.766 947 C CB -1.086 26.822 27.740 0.280 0.000 1.924 947 C HN 0.674 nan 8.230 nan 0.000 0.509 948 E N 0.003 120.265 120.200 0.104 0.000 2.276 948 E HA -0.089 4.258 4.350 -0.006 0.000 0.193 948 E C 1.953 178.600 176.600 0.079 0.000 0.983 948 E CA 0.490 56.928 56.400 0.063 0.000 0.861 948 E CB -0.012 29.695 29.700 0.011 0.000 0.817 948 E HN 0.637 nan 8.360 nan 0.000 0.485 949 E N 0.925 121.179 120.200 0.089 0.000 2.072 949 E HA -0.106 4.240 4.350 -0.006 0.000 0.191 949 E C 1.993 178.675 176.600 0.137 0.000 0.985 949 E CA 0.516 56.977 56.400 0.102 0.000 0.801 949 E CB 0.102 29.859 29.700 0.095 0.000 0.750 949 E HN 0.125 nan 8.360 nan 0.000 0.452 950 L N 0.786 122.116 121.223 0.178 0.000 2.291 950 L HA -0.042 4.294 4.340 -0.006 0.000 0.214 950 L C 2.188 179.242 176.870 0.308 0.000 1.120 950 L CA 1.158 56.103 54.840 0.175 0.000 0.799 950 L CB -0.081 42.134 42.059 0.260 0.000 0.925 950 L HN 0.016 nan 8.230 nan 0.000 0.446 951 R N 0.235 120.884 120.500 0.249 0.000 2.140 951 R HA -0.068 4.268 4.340 -0.006 0.000 0.213 951 R C 2.139 178.501 176.300 0.105 0.000 1.059 951 R CA 1.213 57.402 56.100 0.148 0.000 1.000 951 R CB -0.008 30.293 30.300 0.002 0.000 0.910 951 R HN 0.166 nan 8.270 nan 0.000 0.455 952 K N -0.356 120.111 120.400 0.112 0.000 2.167 952 K HA 0.077 4.394 4.320 -0.006 0.000 0.203 952 K C 0.305 176.995 176.600 0.151 0.000 1.052 952 K CA 0.758 57.104 56.287 0.099 0.000 0.956 952 K CB 0.061 32.608 32.500 0.078 0.000 0.735 952 K HN -0.002 nan 8.250 nan 0.000 0.451 953 S N 2.199 118.022 115.700 0.206 0.000 2.465 953 S HA -0.030 4.437 4.470 -0.006 0.000 0.307 953 S C 1.048 175.825 174.600 0.295 0.000 1.187 953 S CA -0.389 57.961 58.200 0.250 0.000 1.141 953 S CB 0.248 63.624 63.200 0.292 0.000 1.108 953 S HN 0.263 nan 8.310 nan 0.000 0.525 954 E N 4.575 124.902 120.200 0.213 0.000 2.385 954 E HA -0.071 4.275 4.350 -0.006 0.000 0.194 954 E C 0.698 177.386 176.600 0.146 0.000 1.013 954 E CA 0.398 56.906 56.400 0.180 0.000 0.866 954 E CB -0.302 29.475 29.700 0.128 0.000 0.832 954 E HN 0.580 nan 8.360 nan 0.000 0.500 955 N N 0.848 119.651 118.700 0.171 0.000 2.142 955 N HA -0.089 4.648 4.740 -0.006 0.000 0.186 955 N C 1.450 177.003 175.510 0.073 0.000 1.023 955 N CA 0.875 54.015 53.050 0.149 0.000 0.852 955 N CB -0.637 37.982 38.487 0.221 0.000 0.998 955 N HN 0.194 nan 8.380 nan 0.000 0.424 956 F N 1.687 121.627 119.950 -0.016 0.000 2.075 956 F HA -0.204 4.319 4.527 -0.006 0.000 0.297 956 F C 2.677 178.388 175.800 -0.149 0.000 1.113 956 F CA 1.656 59.507 58.000 -0.248 0.000 1.218 956 F CB -0.884 38.084 39.000 -0.053 0.000 0.984 956 F HN -0.002 nan 8.300 nan 0.000 0.472 957 S N -0.327 115.423 115.700 0.085 0.000 2.380 957 S HA -0.315 4.151 4.470 -0.006 0.000 0.229 957 S C 2.326 176.856 174.600 -0.116 0.000 1.050 957 S CA 2.427 60.651 58.200 0.039 0.000 1.100 957 S CB -1.110 62.198 63.200 0.181 0.000 0.984 957 S HN 0.523 nan 8.310 nan 0.000 0.434 958 S N 1.225 116.877 115.700 -0.080 0.000 2.400 958 S HA -0.022 4.444 4.470 -0.006 0.000 0.232 958 S C 1.738 176.247 174.600 -0.152 0.000 1.025 958 S CA 1.240 59.381 58.200 -0.098 0.000 0.993 958 S CB -0.582 62.581 63.200 -0.062 0.000 0.808 958 S HN 0.525 nan 8.310 nan 0.000 0.478 959 L N 1.100 122.171 121.223 -0.254 0.000 2.017 959 L HA -0.132 4.204 4.340 -0.006 0.000 0.208 959 L C 2.069 178.818 176.870 -0.201 0.000 1.073 959 L CA 1.406 56.089 54.840 -0.262 0.000 0.745 959 L CB -0.384 41.359 42.059 -0.527 0.000 0.894 959 L HN 0.351 nan 8.230 nan 0.000 0.432 960 L N -0.541 120.484 121.223 -0.331 0.000 2.012 960 L HA -0.267 4.069 4.340 -0.006 0.000 0.210 960 L C 2.535 179.397 176.870 -0.012 0.000 1.073 960 L CA 1.551 56.286 54.840 -0.174 0.000 0.748 960 L CB -0.660 41.186 42.059 -0.354 0.000 0.891 960 L HN 0.336 nan 8.230 nan 0.000 0.431 961 E N 0.009 120.173 120.200 -0.060 0.000 2.051 961 E HA -0.267 4.079 4.350 -0.006 0.000 0.192 961 E C 2.176 178.779 176.600 0.005 0.000 0.991 961 E CA 1.193 57.581 56.400 -0.021 0.000 0.799 961 E CB -0.220 29.454 29.700 -0.043 0.000 0.748 961 E HN 0.260 nan 8.360 nan 0.000 0.449 962 L N 1.077 122.289 121.223 -0.018 0.000 2.046 962 L HA -0.167 4.169 4.340 -0.006 0.000 0.208 962 L C 2.305 179.219 176.870 0.073 0.000 1.077 962 L CA 1.844 56.692 54.840 0.014 0.000 0.747 962 L CB -0.582 41.478 42.059 0.002 0.000 0.896 962 L HN 0.063 nan 8.230 nan 0.000 0.432 963 T N -0.362 114.248 114.554 0.093 0.000 2.708 963 T HA -0.201 4.146 4.350 -0.006 0.000 0.266 963 T C 1.773 176.526 174.700 0.088 0.000 1.037 963 T CA 1.586 63.743 62.100 0.095 0.000 1.146 963 T CB -0.464 68.471 68.868 0.111 0.000 0.865 963 T HN 0.265 nan 8.240 nan 0.000 0.435 964 L N 1.137 122.489 121.223 0.215 0.000 1.989 964 L HA -0.011 4.325 4.340 -0.006 0.000 0.211 964 L C 2.244 179.158 176.870 0.074 0.000 1.071 964 L CA 1.562 56.521 54.840 0.198 0.000 0.749 964 L CB -1.090 41.085 42.059 0.194 0.000 0.890 964 L HN 0.199 nan 8.230 nan 0.000 0.431 965 L N -1.118 120.140 121.223 0.058 0.000 1.956 965 L HA -0.233 4.103 4.340 -0.006 0.000 0.216 965 L C 2.426 179.331 176.870 0.058 0.000 1.073 965 L CA 2.224 57.088 54.840 0.041 0.000 0.762 965 L CB -0.759 41.319 42.059 0.032 0.000 0.889 965 L HN 0.137 nan 8.230 nan 0.000 0.433 966 V N 0.254 120.206 119.914 0.063 0.000 2.324 966 V HA -0.319 3.798 4.120 -0.006 0.000 0.250 966 V C 2.561 178.677 176.094 0.037 0.000 1.060 966 V CA 2.038 64.375 62.300 0.061 0.000 1.042 966 V CB -1.712 30.159 31.823 0.080 0.000 0.650 966 V HN 0.714 nan 8.190 nan 0.000 0.450 967 G N -0.335 108.462 108.800 -0.006 0.000 2.433 967 G HA2 -0.271 3.685 3.960 -0.006 0.000 0.216 967 G HA3 -0.271 3.685 3.960 -0.006 0.000 0.216 967 G C 1.398 176.280 174.900 -0.031 0.000 1.186 967 G CA 0.892 45.959 45.100 -0.056 0.000 0.779 967 G HN 0.512 nan 8.290 nan 0.000 0.543 968 N N -0.556 118.142 118.700 -0.004 0.000 2.258 968 N HA -0.132 4.604 4.740 -0.006 0.000 0.187 968 N C 1.675 177.197 175.510 0.020 0.000 1.012 968 N CA 0.907 53.951 53.050 -0.010 0.000 0.870 968 N CB -0.342 38.136 38.487 -0.016 0.000 0.977 968 N HN 0.509 nan 8.380 nan 0.000 0.434 969 Y N 0.493 120.756 120.300 -0.060 0.000 2.269 969 Y HA 0.083 4.630 4.550 -0.006 0.000 0.294 969 Y C 2.151 178.014 175.900 -0.063 0.000 1.120 969 Y CA 1.126 59.193 58.100 -0.055 0.000 1.159 969 Y CB -0.083 38.351 38.460 -0.043 0.000 1.024 969 Y HN -0.033 nan 8.280 nan 0.000 0.532 970 M N 0.041 119.615 119.600 -0.043 0.000 2.175 970 M HA -0.207 4.270 4.480 -0.006 0.000 0.264 970 M C 1.262 177.469 176.300 -0.155 0.000 1.063 970 M CA 1.298 56.526 55.300 -0.120 0.000 1.119 970 M CB -0.325 32.237 32.600 -0.064 0.000 1.377 970 M HN 0.140 nan 8.290 nan 0.000 0.415 971 N N 0.764 119.389 118.700 -0.125 0.000 2.609 971 N HA 0.030 4.767 4.740 -0.006 0.000 0.190 971 N C 1.117 176.547 175.510 -0.133 0.000 1.157 971 N CA 0.870 53.850 53.050 -0.116 0.000 0.918 971 N CB -0.287 38.141 38.487 -0.098 0.000 0.978 971 N HN 0.409 nan 8.380 nan 0.000 0.448 972 A N 0.305 123.007 122.820 -0.197 0.000 5.101 972 A HA -0.260 4.057 4.320 -0.006 0.000 0.360 972 A C 1.203 178.700 177.584 -0.144 0.000 1.612 972 A CA 2.052 53.959 52.037 -0.217 0.000 0.689 972 A CB -1.601 17.285 19.000 -0.191 0.000 1.522 972 A HN 0.498 nan 8.150 nan 0.000 0.416 973 G N -1.952 106.784 108.800 -0.107 0.000 4.831 973 G HA2 0.614 4.571 3.960 -0.006 0.000 0.231 973 G HA3 0.614 4.571 3.960 -0.006 0.000 0.231 973 G C -0.387 174.477 174.900 -0.060 0.000 1.006 973 G CA 1.300 46.354 45.100 -0.077 0.000 0.792 973 G HN 1.133 nan 8.290 nan 0.000 0.546 974 S N -0.939 114.725 115.700 -0.060 0.000 2.794 974 S HA 0.558 5.025 4.470 -0.006 0.000 0.299 974 S C 1.170 175.744 174.600 -0.043 0.000 1.179 974 S CA -0.741 57.431 58.200 -0.047 0.000 0.838 974 S CB 2.046 65.217 63.200 -0.047 0.000 1.206 974 S HN 0.490 nan 8.310 nan 0.000 0.523 975 R N 1.563 122.043 120.500 -0.035 0.000 2.335 975 R HA -0.312 4.025 4.340 -0.006 0.000 0.202 975 R C -0.065 176.215 176.300 -0.034 0.000 1.086 975 R CA 2.742 58.824 56.100 -0.030 0.000 0.622 975 R CB -1.203 29.080 30.300 -0.029 0.000 0.875 975 R HN 0.812 nan 8.270 nan 0.000 0.316 976 N N 0.025 118.696 118.700 -0.047 0.000 2.514 976 N HA 0.502 5.239 4.740 -0.006 0.000 0.277 976 N C -1.151 174.321 175.510 -0.062 0.000 1.126 976 N CA 0.122 53.139 53.050 -0.054 0.000 0.978 976 N CB 1.997 40.440 38.487 -0.073 0.000 1.106 976 N HN 0.670 nan 8.380 nan 0.000 0.461 977 A N 0.577 123.361 122.820 -0.059 0.000 2.581 977 A HA 0.569 4.885 4.320 -0.006 0.000 0.309 977 A C 0.469 178.007 177.584 -0.076 0.000 1.022 977 A CA -0.574 51.421 52.037 -0.071 0.000 0.833 977 A CB -0.028 18.930 19.000 -0.070 0.000 1.208 977 A HN 1.470 nan 8.150 nan 0.000 0.388 978 G N 0.133 108.873 108.800 -0.101 0.000 2.249 978 G HA2 0.186 4.143 3.960 -0.006 0.000 0.273 978 G HA3 0.186 4.143 3.960 -0.006 0.000 0.273 978 G C 0.803 175.560 174.900 -0.237 0.000 1.036 978 G CA 1.009 46.007 45.100 -0.170 0.000 0.824 978 G HN 2.453 nan 8.290 nan 0.000 0.504 979 A N -0.912 121.822 122.820 -0.143 0.000 2.440 979 A HA 0.709 5.026 4.320 -0.006 0.000 0.251 979 A C 0.900 178.407 177.584 -0.127 0.000 1.089 979 A CA 0.179 52.176 52.037 -0.067 0.000 0.779 979 A CB 0.257 19.256 19.000 -0.002 0.000 1.022 979 A HN 0.492 nan 8.150 nan 0.000 0.492 980 F N 1.779 121.732 119.950 0.004 0.000 2.558 980 F HA 0.271 4.794 4.527 -0.006 0.000 0.298 980 F C 1.620 177.411 175.800 -0.016 0.000 1.119 980 F CA 1.494 59.490 58.000 -0.007 0.000 1.451 980 F CB 0.145 39.132 39.000 -0.022 0.000 1.091 980 F HN 0.755 nan 8.300 nan 0.000 0.563 981 G N -1.155 107.731 108.800 0.143 0.000 2.550 981 G HA2 0.478 4.434 3.960 -0.006 0.000 0.293 981 G HA3 0.478 4.434 3.960 -0.006 0.000 0.293 981 G C -1.888 173.080 174.900 0.113 0.000 1.402 981 G CA -0.704 44.424 45.100 0.046 0.000 0.784 981 G HN -0.014 nan 8.290 nan 0.000 0.482 982 F N -1.331 118.611 119.950 -0.013 0.000 2.664 982 F HA 0.703 5.226 4.527 -0.006 0.000 0.317 982 F C -0.587 175.217 175.800 0.007 0.000 1.108 982 F CA -1.647 56.325 58.000 -0.047 0.000 0.957 982 F CB 1.568 40.494 39.000 -0.123 0.000 1.365 982 F HN 0.428 nan 8.300 nan 0.000 0.475 983 N N 1.977 120.815 118.700 0.230 0.000 2.470 983 N HA 0.195 4.931 4.740 -0.006 0.000 0.268 983 N C 1.122 176.761 175.510 0.214 0.000 1.136 983 N CA 0.037 53.190 53.050 0.171 0.000 0.961 983 N CB 1.112 39.705 38.487 0.176 0.000 1.067 983 N HN 0.887 nan 8.380 nan 0.000 0.468 984 I N 2.114 122.710 120.570 0.043 0.000 2.399 984 I HA -0.371 3.796 4.170 -0.006 0.000 0.254 984 I C 2.255 178.353 176.117 -0.032 0.000 1.146 984 I CA 1.054 62.331 61.300 -0.039 0.000 1.412 984 I CB -0.160 37.765 38.000 -0.124 0.000 1.076 984 I HN 0.635 nan 8.210 nan 0.000 0.432 985 S N 1.080 116.789 115.700 0.015 0.000 2.359 985 S HA -0.305 4.161 4.470 -0.006 0.000 0.224 985 S C 2.008 176.641 174.600 0.055 0.000 1.035 985 S CA 1.163 59.367 58.200 0.007 0.000 1.018 985 S CB -1.155 62.083 63.200 0.063 0.000 0.876 985 S HN 0.483 nan 8.310 nan 0.000 0.448 986 F N 2.343 122.308 119.950 0.024 0.000 2.411 986 F HA 0.060 4.583 4.527 -0.005 0.000 0.299 986 F C 1.763 177.530 175.800 -0.054 0.000 1.077 986 F CA 0.470 58.475 58.000 0.007 0.000 1.439 986 F CB -0.381 38.641 39.000 0.036 0.000 1.085 986 F HN 0.187 nan 8.300 nan 0.000 0.564 987 L N -1.375 119.799 121.223 -0.083 0.000 2.042 987 L HA -0.344 3.993 4.340 -0.006 0.000 0.210 987 L C 2.558 179.335 176.870 -0.155 0.000 1.076 987 L CA 1.421 56.060 54.840 -0.335 0.000 0.749 987 L CB -1.024 40.527 42.059 -0.848 0.000 0.893 987 L HN 0.234 nan 8.230 nan 0.000 0.432 988 C N -0.133 119.124 119.300 -0.071 0.000 2.435 988 C HA -0.101 4.355 4.460 -0.006 0.000 0.279 988 C C 2.521 177.426 174.990 -0.141 0.000 1.321 988 C CA 0.399 59.437 59.018 0.033 0.000 1.752 988 C CB -0.706 27.043 27.740 0.015 0.000 1.959 988 C HN 0.404 nan 8.230 nan 0.000 0.500 989 K N 0.992 121.135 120.400 -0.428 0.000 2.504 989 K HA 0.036 4.353 4.320 -0.006 0.000 0.195 989 K C 1.619 177.883 176.600 -0.560 0.000 1.036 989 K CA 0.571 56.471 56.287 -0.645 0.000 0.984 989 K CB -0.302 31.416 32.500 -1.303 0.000 0.788 989 K HN 0.553 nan 8.250 nan 0.000 0.488 990 L N 0.663 121.675 121.223 -0.352 0.000 2.042 990 L HA -0.160 4.177 4.340 -0.006 0.000 0.210 990 L C 2.720 179.547 176.870 -0.071 0.000 1.076 990 L CA 1.256 56.025 54.840 -0.117 0.000 0.749 990 L CB -0.411 41.681 42.059 0.055 0.000 0.893 990 L HN 0.177 nan 8.230 nan 0.000 0.432 991 R N 0.051 120.506 120.500 -0.076 0.000 2.211 991 R HA -0.192 4.144 4.340 -0.006 0.000 0.240 991 R C 1.410 177.666 176.300 -0.073 0.000 1.144 991 R CA 1.442 57.485 56.100 -0.095 0.000 0.992 991 R CB -0.124 30.117 30.300 -0.099 0.000 0.869 991 R HN 0.394 nan 8.270 nan 0.000 0.462 992 D N -0.463 119.885 120.400 -0.087 0.000 2.317 992 D HA -0.029 4.608 4.640 -0.006 0.000 0.211 992 D C 0.005 176.292 176.300 -0.022 0.000 0.966 992 D CA 0.825 54.790 54.000 -0.058 0.000 0.876 992 D CB 0.239 40.988 40.800 -0.084 0.000 0.927 992 D HN 0.085 nan 8.370 nan 0.000 0.519 993 T N 2.700 117.246 114.554 -0.013 0.000 2.743 993 T HA 0.309 4.655 4.350 -0.006 0.000 0.293 993 T C 0.422 175.128 174.700 0.009 0.000 0.945 993 T CA -0.543 61.563 62.100 0.009 0.000 1.030 993 T CB 1.365 70.247 68.868 0.023 0.000 0.912 993 T HN 0.040 nan 8.240 nan 0.000 0.483 994 K N 0.544 120.952 120.400 0.013 0.000 2.466 994 K HA 0.588 4.904 4.320 -0.006 0.000 0.260 994 K C -0.202 176.409 176.600 0.018 0.000 1.011 994 K CA -0.880 55.423 56.287 0.027 0.000 0.871 994 K CB 1.003 33.526 32.500 0.039 0.000 1.404 994 K HN 0.549 nan 8.250 nan 0.000 0.450 995 S N -0.434 115.284 115.700 0.028 0.000 2.576 995 S HA 0.202 4.668 4.470 -0.006 0.000 0.272 995 S C 1.374 175.981 174.600 0.012 0.000 1.352 995 S CA 0.027 58.238 58.200 0.018 0.000 1.021 995 S CB 0.739 63.958 63.200 0.030 0.000 0.887 995 S HN 0.772 nan 8.310 nan 0.000 0.542 996 A N 1.548 124.372 122.820 0.007 0.000 1.902 996 A HA -0.125 4.191 4.320 -0.006 0.000 0.217 996 A C 1.878 179.467 177.584 0.007 0.000 1.181 996 A CA 1.477 53.517 52.037 0.005 0.000 0.623 996 A CB -1.063 17.938 19.000 0.001 0.000 0.818 996 A HN 0.990 nan 8.150 nan 0.000 0.443 997 D N -1.390 119.016 120.400 0.010 0.000 2.392 997 D HA -0.157 4.479 4.640 -0.006 0.000 0.228 997 D C -0.069 176.238 176.300 0.011 0.000 1.003 997 D CA 0.978 54.984 54.000 0.010 0.000 0.917 997 D CB -0.365 40.441 40.800 0.010 0.000 0.890 997 D HN 0.408 nan 8.370 nan 0.000 0.532 998 Q N -0.564 119.246 119.800 0.015 0.000 2.452 998 Q HA -0.208 4.128 4.340 -0.006 0.000 0.248 998 Q C 0.833 176.847 176.000 0.023 0.000 0.874 998 Q CA 0.906 56.721 55.803 0.019 0.000 1.208 998 Q CB -1.858 26.889 28.738 0.014 0.000 1.569 998 Q HN 0.547 nan 8.270 nan 0.000 0.579 999 K N -0.242 120.171 120.400 0.022 0.000 2.243 999 K HA 0.059 4.375 4.320 -0.006 0.000 0.201 999 K C 1.063 177.675 176.600 0.020 0.000 1.051 999 K CA 1.371 57.666 56.287 0.013 0.000 0.970 999 K CB 0.207 32.710 32.500 0.005 0.000 0.755 999 K HN 0.416 nan 8.250 nan 0.000 0.465 1000 M N -1.771 117.863 119.600 0.056 0.000 2.534 1000 M HA 0.200 4.676 4.480 -0.006 0.000 0.280 1000 M C -0.606 175.799 176.300 0.175 0.000 1.217 1000 M CA -0.889 54.482 55.300 0.119 0.000 0.893 1000 M CB 1.751 34.387 32.600 0.060 0.000 1.730 1000 M HN -0.096 nan 8.290 nan 0.000 0.483 1001 T N -0.815 113.924 114.554 0.308 0.000 2.912 1001 T HA 0.541 4.888 4.350 -0.006 0.000 0.280 1001 T C 0.772 175.549 174.700 0.130 0.000 0.989 1001 T CA -1.014 61.173 62.100 0.145 0.000 0.995 1001 T CB 1.086 69.956 68.868 0.003 0.000 1.077 1001 T HN 0.877 nan 8.240 nan 0.000 0.531 1002 L N 0.659 121.919 121.223 0.062 0.000 2.046 1002 L HA -0.006 4.331 4.340 -0.006 0.000 0.208 1002 L C 2.595 179.540 176.870 0.126 0.000 1.077 1002 L CA 1.260 56.148 54.840 0.080 0.000 0.747 1002 L CB -0.503 41.576 42.059 0.032 0.000 0.896 1002 L HN 0.748 nan 8.230 nan 0.000 0.432 1003 L N -0.647 120.593 121.223 0.028 0.000 1.990 1003 L HA -0.364 3.972 4.340 -0.006 0.000 0.213 1003 L C 2.421 179.275 176.870 -0.025 0.000 1.072 1003 L CA 1.942 56.779 54.840 -0.005 0.000 0.755 1003 L CB -0.523 41.450 42.059 -0.144 0.000 0.889 1003 L HN 0.414 nan 8.230 nan 0.000 0.432 1004 H N -1.767 117.316 119.070 0.021 0.000 2.319 1004 H HA -0.291 4.262 4.556 -0.004 0.000 0.297 1004 H C 1.953 177.297 175.328 0.027 0.000 1.097 1004 H CA 2.182 58.219 56.048 -0.017 0.000 1.285 1004 H CB -0.256 29.508 29.762 0.003 0.000 1.368 1004 H HN 0.375 nan 8.280 nan 0.000 0.495 1005 F N 0.907 120.919 119.950 0.104 0.000 2.069 1005 F HA -0.244 4.279 4.527 -0.006 0.000 0.298 1005 F C 2.057 177.891 175.800 0.057 0.000 1.113 1005 F CA 1.215 59.253 58.000 0.063 0.000 1.214 1005 F CB -0.376 38.659 39.000 0.058 0.000 0.978 1005 F HN -0.014 nan 8.300 nan 0.000 0.474 1006 L N 0.390 121.815 121.223 0.337 0.000 1.989 1006 L HA -0.247 4.090 4.340 -0.006 0.000 0.211 1006 L C 2.820 179.756 176.870 0.110 0.000 1.071 1006 L CA 1.775 56.763 54.840 0.248 0.000 0.749 1006 L CB -1.213 41.023 42.059 0.295 0.000 0.890 1006 L HN 0.267 nan 8.230 nan 0.000 0.431 1007 A N -0.894 121.923 122.820 -0.005 0.000 1.917 1007 A HA -0.310 4.007 4.320 -0.006 0.000 0.219 1007 A C 2.320 179.843 177.584 -0.101 0.000 1.182 1007 A CA 2.186 54.103 52.037 -0.200 0.000 0.633 1007 A CB -0.645 18.061 19.000 -0.489 0.000 0.819 1007 A HN 0.522 nan 8.150 nan 0.000 0.448 1008 E N -0.864 119.262 120.200 -0.122 0.000 2.106 1008 E HA -0.155 4.192 4.350 -0.006 0.000 0.192 1008 E C 1.891 178.378 176.600 -0.189 0.000 0.984 1008 E CA 1.049 57.354 56.400 -0.158 0.000 0.806 1008 E CB -0.137 29.445 29.700 -0.197 0.000 0.750 1008 E HN 0.466 nan 8.360 nan 0.000 0.458 1009 L N 0.692 121.765 121.223 -0.250 0.000 2.046 1009 L HA -0.171 4.166 4.340 -0.006 0.000 0.208 1009 L C 2.175 179.043 176.870 -0.004 0.000 1.077 1009 L CA 1.621 56.347 54.840 -0.190 0.000 0.747 1009 L CB -0.740 41.215 42.059 -0.172 0.000 0.896 1009 L HN 0.263 nan 8.230 nan 0.000 0.432 1010 C N -0.407 118.949 119.300 0.094 0.000 2.436 1010 C HA -0.155 4.301 4.460 -0.006 0.000 0.277 1010 C C 2.610 177.656 174.990 0.094 0.000 1.241 1010 C CA 0.945 60.074 59.018 0.185 0.000 1.721 1010 C CB -0.916 27.003 27.740 0.298 0.000 2.043 1010 C HN 0.628 nan 8.230 nan 0.000 0.472 1011 E N 0.851 121.079 120.200 0.047 0.000 2.114 1011 E HA -0.229 4.117 4.350 -0.006 0.000 0.199 1011 E C 1.758 178.345 176.600 -0.021 0.000 1.008 1011 E CA 1.626 58.033 56.400 0.012 0.000 0.810 1011 E CB 0.012 29.696 29.700 -0.027 0.000 0.739 1011 E HN 0.616 nan 8.360 nan 0.000 0.456 1012 N N -0.116 118.548 118.700 -0.062 0.000 2.322 1012 N HA -0.053 4.683 4.740 -0.006 0.000 0.186 1012 N C 1.150 176.581 175.510 -0.132 0.000 1.037 1012 N CA 1.295 54.292 53.050 -0.089 0.000 0.869 1012 N CB -0.194 38.229 38.487 -0.107 0.000 1.036 1012 N HN 0.102 nan 8.380 nan 0.000 0.439 1013 D N -0.402 119.865 120.400 -0.222 0.000 2.240 1013 D HA 0.031 4.668 4.640 -0.006 0.000 0.206 1013 D C -0.040 175.851 176.300 -0.682 0.000 0.963 1013 D CA 0.941 54.656 54.000 -0.474 0.000 0.863 1013 D CB 0.162 40.591 40.800 -0.617 0.000 0.973 1013 D HN 0.364 nan 8.370 nan 0.000 0.501 1014 H N -0.807 118.280 119.070 0.029 0.000 2.488 1014 H HA 0.217 4.770 4.556 -0.006 0.000 0.237 1014 H C -2.081 173.288 175.328 0.069 0.000 1.395 1014 H CA -1.402 54.675 56.048 0.048 0.000 1.491 1014 H CB 1.338 31.133 29.762 0.054 0.000 1.567 1014 H HN -0.004 nan 8.280 nan 0.000 0.508 1015 P HA -0.106 nan 4.420 nan 0.000 0.222 1015 P C 1.178 178.558 177.300 0.133 0.000 1.147 1015 P CA 0.968 64.134 63.100 0.109 0.000 0.790 1015 P CB 0.582 32.320 31.700 0.064 0.000 0.780 1016 E N -0.513 119.771 120.200 0.140 0.000 2.085 1016 E HA -0.134 4.212 4.350 -0.006 0.000 0.194 1016 E C 1.917 178.613 176.600 0.160 0.000 0.994 1016 E CA 1.056 57.536 56.400 0.132 0.000 0.801 1016 E CB -1.294 28.478 29.700 0.120 0.000 0.743 1016 E HN 0.058 nan 8.360 nan 0.000 0.453 1017 V N 0.895 120.920 119.914 0.185 0.000 2.469 1017 V HA -0.224 3.893 4.120 -0.006 0.000 0.251 1017 V C 2.132 178.402 176.094 0.293 0.000 1.064 1017 V CA 1.291 63.714 62.300 0.205 0.000 1.066 1017 V CB -0.483 31.454 31.823 0.189 0.000 0.667 1017 V HN 0.277 nan 8.190 nan 0.000 0.461 1018 L N -0.517 120.875 121.223 0.282 0.000 2.450 1018 L HA -0.129 4.208 4.340 -0.006 0.000 0.224 1018 L C 2.253 179.225 176.870 0.170 0.000 1.149 1018 L CA 1.299 56.316 54.840 0.295 0.000 0.816 1018 L CB -0.329 41.868 42.059 0.230 0.000 0.932 1018 L HN 0.313 nan 8.230 nan 0.000 0.449 1019 K N -0.670 119.824 120.400 0.156 0.000 2.404 1019 K HA -0.032 4.284 4.320 -0.006 0.000 0.194 1019 K C 1.713 178.365 176.600 0.087 0.000 1.023 1019 K CA 0.222 56.565 56.287 0.094 0.000 1.094 1019 K CB 0.156 32.715 32.500 0.098 0.000 0.841 1019 K HN 0.287 nan 8.250 nan 0.000 0.523 1020 F N 1.272 121.231 119.950 0.016 0.000 2.293 1020 F HA 0.041 4.565 4.527 -0.006 0.000 0.300 1020 F C -1.343 174.466 175.800 0.015 0.000 1.086 1020 F CA 0.008 58.028 58.000 0.034 0.000 1.375 1020 F CB -1.147 37.893 39.000 0.067 0.000 1.045 1020 F HN -0.083 nan 8.300 nan 0.000 0.516 1021 P HA -0.064 nan 4.420 nan 0.000 0.223 1021 P C 0.624 177.782 177.300 -0.236 0.000 1.151 1021 P CA 1.418 64.153 63.100 -0.610 0.000 0.787 1021 P CB -0.013 31.361 31.700 -0.543 0.000 0.788 1022 D N -0.762 119.556 120.400 -0.136 0.000 2.305 1022 D HA -0.045 4.591 4.640 -0.006 0.000 0.206 1022 D C 1.499 177.796 176.300 -0.005 0.000 0.974 1022 D CA 0.668 54.636 54.000 -0.054 0.000 0.871 1022 D CB -0.315 40.469 40.800 -0.027 0.000 0.947 1022 D HN 0.319 nan 8.370 nan 0.000 0.516 1023 E N 0.077 120.294 120.200 0.029 0.000 2.435 1023 E HA 0.080 4.426 4.350 -0.006 0.000 0.195 1023 E C 0.483 177.131 176.600 0.079 0.000 1.029 1023 E CA 0.213 56.660 56.400 0.078 0.000 0.865 1023 E CB 0.329 30.112 29.700 0.139 0.000 0.833 1023 E HN 0.224 nan 8.360 nan 0.000 0.510 1024 L N 0.836 122.089 121.223 0.051 0.000 2.701 1024 L HA 0.347 4.684 4.340 -0.006 0.000 0.237 1024 L C 1.154 178.040 176.870 0.026 0.000 1.204 1024 L CA -0.526 54.346 54.840 0.053 0.000 1.109 1024 L CB 0.599 42.690 42.059 0.054 0.000 1.409 1024 L HN 0.032 nan 8.230 nan 0.000 0.428 1025 A N -0.237 122.605 122.820 0.037 0.000 1.845 1025 A HA -0.202 4.115 4.320 -0.006 0.000 0.215 1025 A C 1.827 179.367 177.584 -0.072 0.000 1.195 1025 A CA 1.516 53.545 52.037 -0.015 0.000 0.616 1025 A CB -0.495 18.510 19.000 0.009 0.000 0.832 1025 A HN 0.652 nan 8.150 nan 0.000 0.443 1026 H N -1.259 117.783 119.070 -0.048 0.000 2.556 1026 H HA 0.159 4.712 4.556 -0.005 0.000 0.268 1026 H C 1.690 176.939 175.328 -0.133 0.000 0.996 1026 H CA 0.611 56.607 56.048 -0.087 0.000 1.157 1026 H CB 0.055 29.752 29.762 -0.108 0.000 1.355 1026 H HN 0.225 nan 8.280 nan 0.000 0.597 1027 V N 0.394 120.305 119.914 -0.005 0.000 2.490 1027 V HA -0.266 3.851 4.120 -0.006 0.000 0.250 1027 V C 2.365 178.482 176.094 0.038 0.000 1.061 1027 V CA 2.130 64.421 62.300 -0.016 0.000 1.064 1027 V CB -0.168 31.725 31.823 0.118 0.000 0.670 1027 V HN 0.574 nan 8.190 nan 0.000 0.461 1028 E N 0.160 120.411 120.200 0.085 0.000 2.028 1028 E HA -0.244 4.103 4.350 -0.006 0.000 0.191 1028 E C 2.277 178.812 176.600 -0.110 0.000 0.988 1028 E CA 1.313 57.724 56.400 0.017 0.000 0.799 1028 E CB -0.085 29.661 29.700 0.077 0.000 0.755 1028 E HN 0.550 nan 8.360 nan 0.000 0.447 1029 K N -0.057 120.293 120.400 -0.084 0.000 2.152 1029 K HA -0.139 4.178 4.320 -0.006 0.000 0.206 1029 K C 2.016 178.566 176.600 -0.084 0.000 1.048 1029 K CA 1.060 57.302 56.287 -0.075 0.000 0.933 1029 K CB -0.088 32.388 32.500 -0.040 0.000 0.721 1029 K HN 0.153 nan 8.250 nan 0.000 0.447 1030 A N 1.201 123.939 122.820 -0.136 0.000 2.072 1030 A HA -0.081 4.236 4.320 -0.006 0.000 0.216 1030 A C 2.113 179.667 177.584 -0.051 0.000 1.156 1030 A CA 1.324 53.250 52.037 -0.185 0.000 0.701 1030 A CB -0.332 18.333 19.000 -0.559 0.000 0.816 1030 A HN 0.350 nan 8.150 nan 0.000 0.458 1031 S N -0.339 115.343 115.700 -0.029 0.000 2.447 1031 S HA -0.102 4.365 4.470 -0.006 0.000 0.233 1031 S C 1.842 176.429 174.600 -0.022 0.000 1.006 1031 S CA 1.205 59.412 58.200 0.013 0.000 0.957 1031 S CB -0.289 62.864 63.200 -0.078 0.000 0.773 1031 S HN 0.602 nan 8.310 nan 0.000 0.507 1032 R N 0.125 120.595 120.500 -0.051 0.000 2.237 1032 R HA 0.309 4.645 4.340 -0.006 0.000 0.195 1032 R C -0.267 176.024 176.300 -0.015 0.000 0.956 1032 R CA 0.054 56.130 56.100 -0.041 0.000 1.029 1032 R CB 0.261 30.525 30.300 -0.060 0.000 0.972 1032 R HN 0.264 nan 8.270 nan 0.000 0.493 1033 V N 2.000 121.907 119.914 -0.011 0.000 2.479 1033 V HA -0.037 4.079 4.120 -0.006 0.000 0.281 1033 V C 0.460 176.566 176.094 0.021 0.000 1.031 1033 V CA 0.117 62.418 62.300 0.002 0.000 1.038 1033 V CB 1.330 33.150 31.823 -0.006 0.000 0.981 1033 V HN 0.139 nan 8.190 nan 0.000 0.478 1034 S N 4.675 120.390 115.700 0.025 0.000 2.481 1034 S HA 0.363 4.829 4.470 -0.006 0.000 0.276 1034 S C 1.226 175.857 174.600 0.051 0.000 1.247 1034 S CA -0.103 58.119 58.200 0.037 0.000 1.053 1034 S CB 1.150 64.369 63.200 0.033 0.000 0.925 1034 S HN 0.936 nan 8.310 nan 0.000 0.491 1035 A N 4.402 127.259 122.820 0.061 0.000 1.929 1035 A HA 0.008 4.325 4.320 -0.006 0.000 0.216 1035 A C 2.022 179.665 177.584 0.099 0.000 1.176 1035 A CA 1.194 53.281 52.037 0.083 0.000 0.628 1035 A CB -0.574 18.472 19.000 0.076 0.000 0.816 1035 A HN 0.924 nan 8.150 nan 0.000 0.444 1036 E N -0.138 120.108 120.200 0.077 0.000 2.208 1036 E HA -0.150 4.196 4.350 -0.006 0.000 0.193 1036 E C 1.106 177.737 176.600 0.053 0.000 0.988 1036 E CA 0.859 57.300 56.400 0.069 0.000 0.828 1036 E CB -0.045 29.690 29.700 0.058 0.000 0.763 1036 E HN 0.523 nan 8.360 nan 0.000 0.478 1037 N N 0.271 118.998 118.700 0.047 0.000 2.416 1037 N HA -0.023 4.714 4.740 -0.006 0.000 0.177 1037 N C 1.744 177.270 175.510 0.025 0.000 1.036 1037 N CA 0.360 53.429 53.050 0.033 0.000 0.901 1037 N CB 0.060 38.564 38.487 0.029 0.000 0.976 1037 N HN 0.216 nan 8.380 nan 0.000 0.444 1038 L N 0.224 121.469 121.223 0.038 0.000 2.131 1038 L HA -0.100 4.237 4.340 -0.006 0.000 0.206 1038 L C 2.379 179.206 176.870 -0.071 0.000 1.087 1038 L CA 0.834 55.682 54.840 0.013 0.000 0.767 1038 L CB -0.205 41.908 42.059 0.089 0.000 0.917 1038 L HN 0.085 nan 8.230 nan 0.000 0.441 1039 Q N 0.867 120.654 119.800 -0.022 0.000 2.050 1039 Q HA -0.222 4.115 4.340 -0.006 0.000 0.202 1039 Q C 2.100 178.077 176.000 -0.039 0.000 0.980 1039 Q CA 1.837 57.603 55.803 -0.062 0.000 0.840 1039 Q CB -0.019 28.749 28.738 0.050 0.000 0.898 1039 Q HN 0.245 nan 8.270 nan 0.000 0.424 1040 K N -0.660 119.739 120.400 -0.001 0.000 2.057 1040 K HA -0.085 4.232 4.320 -0.006 0.000 0.207 1040 K C 2.276 178.881 176.600 0.008 0.000 1.049 1040 K CA 1.392 57.685 56.287 0.009 0.000 0.931 1040 K CB -0.125 32.386 32.500 0.018 0.000 0.714 1040 K HN 0.110 nan 8.250 nan 0.000 0.440 1041 S N 1.381 117.083 115.700 0.003 0.000 2.356 1041 S HA -0.094 4.372 4.470 -0.006 0.000 0.223 1041 S C 1.915 176.538 174.600 0.039 0.000 1.032 1041 S CA 1.129 59.340 58.200 0.018 0.000 1.005 1041 S CB -0.180 63.025 63.200 0.009 0.000 0.867 1041 S HN 0.179 nan 8.310 nan 0.000 0.449 1042 L N 1.122 122.349 121.223 0.006 0.000 2.217 1042 L HA -0.067 4.269 4.340 -0.006 0.000 0.211 1042 L C 1.895 178.855 176.870 0.150 0.000 1.107 1042 L CA 0.832 55.722 54.840 0.083 0.000 0.783 1042 L CB -0.449 41.566 42.059 -0.074 0.000 0.919 1042 L HN 0.144 nan 8.230 nan 0.000 0.442 1043 D N -0.542 119.893 120.400 0.058 0.000 2.178 1043 D HA -0.193 4.444 4.640 -0.006 0.000 0.202 1043 D C 2.138 178.453 176.300 0.025 0.000 0.974 1043 D CA 0.877 54.906 54.000 0.048 0.000 0.841 1043 D CB 0.097 40.912 40.800 0.024 0.000 0.953 1043 D HN 0.337 nan 8.370 nan 0.000 0.478 1044 Q N -0.333 119.483 119.800 0.027 0.000 2.096 1044 Q HA -0.032 4.304 4.340 -0.006 0.000 0.197 1044 Q C 2.143 178.137 176.000 -0.010 0.000 0.964 1044 Q CA 0.547 56.351 55.803 0.002 0.000 0.838 1044 Q CB 0.030 28.779 28.738 0.017 0.000 0.906 1044 Q HN 0.210 nan 8.270 nan 0.000 0.444 1045 M N 0.358 120.003 119.600 0.074 0.000 2.117 1045 M HA -0.213 4.263 4.480 -0.006 0.000 0.262 1045 M C 2.125 178.406 176.300 -0.032 0.000 1.065 1045 M CA 1.584 56.973 55.300 0.148 0.000 1.114 1045 M CB -0.057 32.732 32.600 0.315 0.000 1.361 1045 M HN -0.013 nan 8.290 nan 0.000 0.408 1046 K N 0.324 120.638 120.400 -0.144 0.000 2.097 1046 K HA -0.221 4.096 4.320 -0.006 0.000 0.206 1046 K C 2.127 178.588 176.600 -0.231 0.000 1.049 1046 K CA 1.440 57.490 56.287 -0.394 0.000 0.933 1046 K CB -0.181 32.154 32.500 -0.275 0.000 0.717 1046 K HN 0.354 nan 8.250 nan 0.000 0.442 1047 K N 0.889 121.200 120.400 -0.148 0.000 2.002 1047 K HA -0.185 4.132 4.320 -0.006 0.000 0.209 1047 K C 2.038 178.514 176.600 -0.207 0.000 1.048 1047 K CA 1.571 57.775 56.287 -0.138 0.000 0.930 1047 K CB -0.019 32.423 32.500 -0.097 0.000 0.714 1047 K HN 0.249 nan 8.250 nan 0.000 0.438 1048 Q N 0.259 119.866 119.800 -0.322 0.000 2.170 1048 Q HA -0.132 4.205 4.340 -0.006 0.000 0.203 1048 Q C 2.182 177.830 176.000 -0.587 0.000 0.976 1048 Q CA 1.354 56.777 55.803 -0.632 0.000 0.858 1048 Q CB -0.086 27.936 28.738 -1.193 0.000 0.907 1048 Q HN 0.383 nan 8.270 nan 0.000 0.433 1049 I N 0.464 120.849 120.570 -0.310 0.000 2.179 1049 I HA -0.258 3.908 4.170 -0.006 0.000 0.242 1049 I C 2.342 178.404 176.117 -0.091 0.000 1.088 1049 I CA 1.028 62.282 61.300 -0.077 0.000 1.357 1049 I CB -0.348 37.581 38.000 -0.119 0.000 1.051 1049 I HN 0.134 nan 8.210 nan 0.000 0.409 1050 A N 0.120 122.864 122.820 -0.126 0.000 2.070 1050 A HA -0.210 4.107 4.320 -0.006 0.000 0.220 1050 A C 1.797 179.349 177.584 -0.054 0.000 1.159 1050 A CA 1.843 53.830 52.037 -0.083 0.000 0.656 1050 A CB -0.512 18.437 19.000 -0.085 0.000 0.800 1050 A HN 0.352 nan 8.150 nan 0.000 0.453 1051 D N -0.274 120.081 120.400 -0.074 0.000 2.091 1051 D HA -0.076 4.560 4.640 -0.006 0.000 0.199 1051 D C 2.044 178.356 176.300 0.021 0.000 0.980 1051 D CA 1.504 55.481 54.000 -0.039 0.000 0.831 1051 D CB -0.463 40.288 40.800 -0.081 0.000 0.987 1051 D HN 0.196 nan 8.370 nan 0.000 0.460 1052 V N 0.988 120.926 119.914 0.041 0.000 2.594 1052 V HA -0.179 3.937 4.120 -0.006 0.000 0.253 1052 V C 2.308 178.443 176.094 0.069 0.000 1.069 1052 V CA 1.365 63.732 62.300 0.111 0.000 1.082 1052 V CB -0.440 31.513 31.823 0.217 0.000 0.680 1052 V HN 0.189 nan 8.190 nan 0.000 0.469 1053 E N 0.096 120.315 120.200 0.032 0.000 2.051 1053 E HA -0.239 4.107 4.350 -0.006 0.000 0.192 1053 E C 2.529 179.149 176.600 0.034 0.000 0.991 1053 E CA 1.265 57.672 56.400 0.012 0.000 0.799 1053 E CB -0.068 29.623 29.700 -0.015 0.000 0.748 1053 E HN 0.433 nan 8.360 nan 0.000 0.449 1054 R N 0.343 120.866 120.500 0.040 0.000 2.092 1054 R HA -0.127 4.209 4.340 -0.006 0.000 0.231 1054 R C 1.791 178.153 176.300 0.104 0.000 1.119 1054 R CA 1.497 57.630 56.100 0.056 0.000 0.970 1054 R CB 0.049 30.372 30.300 0.039 0.000 0.864 1054 R HN 0.177 nan 8.270 nan 0.000 0.440 1055 D N -0.064 120.418 120.400 0.137 0.000 2.104 1055 D HA -0.160 4.477 4.640 -0.006 0.000 0.194 1055 D C 1.907 178.387 176.300 0.300 0.000 0.994 1055 D CA 1.224 55.369 54.000 0.241 0.000 0.830 1055 D CB -0.242 40.720 40.800 0.269 0.000 0.959 1055 D HN 0.054 nan 8.370 nan 0.000 0.452 1056 V N 1.004 121.020 119.914 0.170 0.000 2.332 1056 V HA -0.264 3.853 4.120 -0.006 0.000 0.248 1056 V C 2.516 178.703 176.094 0.155 0.000 1.055 1056 V CA 1.684 64.049 62.300 0.108 0.000 1.038 1056 V CB -0.445 31.372 31.823 -0.010 0.000 0.651 1056 V HN 0.227 nan 8.190 nan 0.000 0.450 1057 Q N -0.353 119.521 119.800 0.123 0.000 2.167 1057 Q HA -0.119 4.218 4.340 -0.006 0.000 0.202 1057 Q C 1.293 177.371 176.000 0.131 0.000 0.970 1057 Q CA 1.168 57.034 55.803 0.104 0.000 0.855 1057 Q CB -0.082 28.696 28.738 0.066 0.000 0.911 1057 Q HN 0.591 nan 8.270 nan 0.000 0.438 1058 N N -0.541 118.260 118.700 0.169 0.000 2.276 1058 N HA 0.084 4.820 4.740 -0.006 0.000 0.212 1058 N C -0.981 174.631 175.510 0.171 0.000 1.127 1058 N CA 0.113 53.246 53.050 0.139 0.000 0.834 1058 N CB 0.257 38.803 38.487 0.098 0.000 1.014 1058 N HN 0.027 nan 8.380 nan 0.000 0.491 1059 F N 1.764 121.748 119.950 0.057 0.000 2.385 1059 F HA 0.378 4.901 4.527 -0.006 0.000 0.336 1059 F C -1.460 174.361 175.800 0.035 0.000 1.100 1059 F CA -2.067 55.964 58.000 0.053 0.000 1.116 1059 F CB 0.626 39.706 39.000 0.134 0.000 1.166 1059 F HN -0.028 nan 8.300 nan 0.000 0.511 1060 P HA 0.299 nan 4.420 nan 0.000 0.272 1060 P C -1.374 175.972 177.300 0.076 0.000 1.240 1060 P CA -0.606 62.464 63.100 -0.051 0.000 0.791 1060 P CB 0.444 32.044 31.700 -0.165 0.000 0.978 1061 A N 1.348 124.201 122.820 0.054 0.000 2.492 1061 A HA 0.417 4.733 4.320 -0.006 0.000 0.254 1061 A C 0.665 178.295 177.584 0.077 0.000 1.091 1061 A CA -0.040 52.041 52.037 0.074 0.000 0.768 1061 A CB -0.735 18.292 19.000 0.044 0.000 1.028 1061 A HN 0.609 nan 8.150 nan 0.000 0.498 1062 A N 3.524 126.410 122.820 0.111 0.000 2.594 1062 A HA 0.356 4.673 4.320 -0.006 0.000 0.291 1062 A C 1.337 178.957 177.584 0.060 0.000 1.374 1062 A CA 0.587 52.688 52.037 0.106 0.000 1.025 1062 A CB -0.950 18.121 19.000 0.118 0.000 1.072 1062 A HN 1.370 nan 8.150 nan 0.000 0.555 1063 T N -0.851 113.726 114.554 0.040 0.000 3.219 1063 T HA 0.281 4.628 4.350 -0.006 0.000 0.249 1063 T C 0.027 174.737 174.700 0.017 0.000 1.099 1063 T CA 0.317 62.429 62.100 0.020 0.000 0.988 1063 T CB -0.833 68.037 68.868 0.004 0.000 0.999 1063 T HN 0.808 nan 8.240 nan 0.000 0.550 1064 D N -1.331 119.085 120.400 0.026 0.000 2.596 1064 D HA 0.287 4.924 4.640 -0.006 0.000 0.234 1064 D C 0.730 177.048 176.300 0.031 0.000 1.181 1064 D CA -0.953 53.060 54.000 0.022 0.000 0.856 1064 D CB 1.175 41.984 40.800 0.014 0.000 1.498 1064 D HN -0.213 nan 8.370 nan 0.000 0.446 1065 E N 0.495 120.710 120.200 0.024 0.000 2.267 1065 E HA -0.157 4.189 4.350 -0.006 0.000 0.197 1065 E C 0.954 177.572 176.600 0.031 0.000 0.998 1065 E CA 0.963 57.378 56.400 0.025 0.000 0.830 1065 E CB -0.095 29.616 29.700 0.018 0.000 0.751 1065 E HN 0.541 nan 8.360 nan 0.000 0.491 1066 K N 0.748 121.169 120.400 0.034 0.000 2.361 1066 K HA -0.003 4.313 4.320 -0.006 0.000 0.196 1066 K C 0.803 177.438 176.600 0.058 0.000 1.039 1066 K CA -0.003 56.308 56.287 0.040 0.000 1.001 1066 K CB 0.272 32.793 32.500 0.034 0.000 0.795 1066 K HN -0.008 nan 8.250 nan 0.000 0.495 1067 D N 2.267 122.710 120.400 0.070 0.000 2.398 1067 D HA -0.023 4.613 4.640 -0.006 0.000 0.250 1067 D C 0.042 176.412 176.300 0.116 0.000 1.287 1067 D CA 0.309 54.374 54.000 0.109 0.000 0.992 1067 D CB 0.552 41.427 40.800 0.125 0.000 1.071 1067 D HN -0.080 nan 8.370 nan 0.000 0.514 1068 K N 3.461 123.926 120.400 0.109 0.000 2.446 1068 K HA -0.001 4.315 4.320 -0.006 0.000 0.203 1068 K C 1.111 177.748 176.600 0.062 0.000 1.027 1068 K CA -0.445 55.883 56.287 0.070 0.000 1.166 1068 K CB 0.146 32.669 32.500 0.038 0.000 0.869 1068 K HN 0.436 nan 8.250 nan 0.000 0.504 1069 F N 1.442 121.364 119.950 -0.046 0.000 2.084 1069 F HA -0.223 4.300 4.527 -0.006 0.000 0.296 1069 F C 1.845 177.527 175.800 -0.198 0.000 1.111 1069 F CA 1.284 59.195 58.000 -0.148 0.000 1.224 1069 F CB -0.118 38.744 39.000 -0.230 0.000 0.991 1069 F HN -0.244 nan 8.300 nan 0.000 0.471 1070 V N 0.316 120.202 119.914 -0.047 0.000 2.490 1070 V HA -0.291 3.825 4.120 -0.006 0.000 0.250 1070 V C 2.294 178.304 176.094 -0.140 0.000 1.061 1070 V CA 2.185 64.417 62.300 -0.114 0.000 1.064 1070 V CB -0.960 30.895 31.823 0.055 0.000 0.670 1070 V HN 0.449 nan 8.190 nan 0.000 0.461 1071 E N 0.484 120.631 120.200 -0.089 0.000 2.015 1071 E HA -0.203 4.143 4.350 -0.006 0.000 0.191 1071 E C 2.328 178.860 176.600 -0.113 0.000 0.991 1071 E CA 1.200 57.557 56.400 -0.072 0.000 0.802 1071 E CB -0.041 29.640 29.700 -0.031 0.000 0.759 1071 E HN 0.507 nan 8.360 nan 0.000 0.447 1072 K N -0.455 119.856 120.400 -0.148 0.000 2.217 1072 K HA -0.048 4.268 4.320 -0.006 0.000 0.202 1072 K C 2.039 178.522 176.600 -0.195 0.000 1.051 1072 K CA 0.705 56.903 56.287 -0.149 0.000 0.952 1072 K CB 0.073 32.491 32.500 -0.137 0.000 0.736 1072 K HN 0.218 nan 8.250 nan 0.000 0.453 1073 M N 0.213 119.597 119.600 -0.360 0.000 2.288 1073 M HA -0.055 4.421 4.480 -0.006 0.000 0.266 1073 M C 1.920 178.127 176.300 -0.155 0.000 1.072 1073 M CA 1.504 56.594 55.300 -0.350 0.000 1.132 1073 M CB -0.975 31.154 32.600 -0.784 0.000 1.386 1073 M HN 0.013 nan 8.290 nan 0.000 0.432 1074 T N -0.625 113.830 114.554 -0.165 0.000 2.867 1074 T HA -0.075 4.272 4.350 -0.006 0.000 0.268 1074 T C 1.993 176.648 174.700 -0.076 0.000 1.057 1074 T CA 1.613 63.653 62.100 -0.101 0.000 1.136 1074 T CB -0.242 68.575 68.868 -0.085 0.000 0.874 1074 T HN 0.380 nan 8.240 nan 0.000 0.466 1075 S N 0.287 115.949 115.700 -0.063 0.000 2.481 1075 S HA 0.009 4.476 4.470 -0.006 0.000 0.231 1075 S C 1.474 176.061 174.600 -0.022 0.000 0.996 1075 S CA 0.307 58.482 58.200 -0.042 0.000 0.942 1075 S CB -0.438 62.742 63.200 -0.034 0.000 0.768 1075 S HN 0.519 nan 8.310 nan 0.000 0.520 1076 F N 0.800 120.636 119.950 -0.189 0.000 2.505 1076 F HA 0.282 4.805 4.527 -0.006 0.000 0.289 1076 F C 1.804 177.450 175.800 -0.256 0.000 1.101 1076 F CA 0.439 58.295 58.000 -0.240 0.000 1.446 1076 F CB -0.208 38.629 39.000 -0.272 0.000 1.123 1076 F HN 0.028 nan 8.300 nan 0.000 0.564 1077 V N 1.194 120.943 119.914 -0.274 0.000 2.358 1077 V HA -0.258 3.858 4.120 -0.006 0.000 0.246 1077 V C 2.321 178.245 176.094 -0.283 0.000 1.047 1077 V CA 1.985 64.099 62.300 -0.311 0.000 1.035 1077 V CB -0.644 31.100 31.823 -0.133 0.000 0.658 1077 V HN 0.230 nan 8.190 nan 0.000 0.452 1078 K N 0.091 120.374 120.400 -0.195 0.000 2.009 1078 K HA -0.269 4.047 4.320 -0.006 0.000 0.210 1078 K C 1.998 178.493 176.600 -0.175 0.000 1.049 1078 K CA 2.130 58.331 56.287 -0.143 0.000 0.929 1078 K CB -0.366 32.078 32.500 -0.094 0.000 0.714 1078 K HN 0.508 nan 8.250 nan 0.000 0.440 1079 D N 0.336 120.593 120.400 -0.239 0.000 2.123 1079 D HA -0.080 4.556 4.640 -0.006 0.000 0.200 1079 D C 1.728 177.822 176.300 -0.345 0.000 0.976 1079 D CA 1.317 55.178 54.000 -0.231 0.000 0.831 1079 D CB 0.015 40.701 40.800 -0.190 0.000 0.974 1079 D HN 0.168 nan 8.370 nan 0.000 0.469 1080 A N -0.206 122.166 122.820 -0.746 0.000 2.015 1080 A HA -0.132 4.184 4.320 -0.006 0.000 0.219 1080 A C 2.196 179.603 177.584 -0.296 0.000 1.163 1080 A CA 1.607 53.037 52.037 -1.012 0.000 0.646 1080 A CB -0.692 17.198 19.000 -1.849 0.000 0.806 1080 A HN 0.367 nan 8.150 nan 0.000 0.448 1081 Q N -0.535 119.135 119.800 -0.217 0.000 2.137 1081 Q HA -0.104 4.232 4.340 -0.006 0.000 0.198 1081 Q C 2.015 178.066 176.000 0.084 0.000 0.960 1081 Q CA 1.340 57.129 55.803 -0.023 0.000 0.847 1081 Q CB -0.102 28.597 28.738 -0.065 0.000 0.915 1081 Q HN 0.769 nan 8.270 nan 0.000 0.448 1082 E N 0.065 120.272 120.200 0.011 0.000 2.017 1082 E HA -0.257 4.089 4.350 -0.006 0.000 0.193 1082 E C 1.952 178.602 176.600 0.082 0.000 0.997 1082 E CA 1.386 57.807 56.400 0.035 0.000 0.804 1082 E CB 0.016 29.715 29.700 -0.002 0.000 0.757 1082 E HN 0.455 nan 8.360 nan 0.000 0.448 1083 Q N -0.768 119.103 119.800 0.117 0.000 2.181 1083 Q HA -0.213 4.124 4.340 -0.006 0.000 0.205 1083 Q C 1.968 178.079 176.000 0.185 0.000 0.980 1083 Q CA 1.537 57.438 55.803 0.164 0.000 0.862 1083 Q CB -0.225 28.679 28.738 0.278 0.000 0.905 1083 Q HN 0.453 nan 8.270 nan 0.000 0.429 1084 Y N 1.431 121.810 120.300 0.132 0.000 2.263 1084 Y HA -0.130 4.417 4.550 -0.006 0.000 0.292 1084 Y C 1.689 177.624 175.900 0.058 0.000 1.130 1084 Y CA 1.225 59.392 58.100 0.111 0.000 1.179 1084 Y CB 0.023 38.562 38.460 0.131 0.000 0.998 1084 Y HN 0.081 nan 8.280 nan 0.000 0.532 1085 N N 0.586 119.309 118.700 0.037 0.000 2.270 1085 N HA -0.113 4.624 4.740 -0.006 0.000 0.181 1085 N C 1.570 177.025 175.510 -0.091 0.000 1.016 1085 N CA 1.214 54.226 53.050 -0.063 0.000 0.870 1085 N CB -0.199 38.326 38.487 0.063 0.000 0.979 1085 N HN 0.423 nan 8.380 nan 0.000 0.431 1086 K N 0.441 120.814 120.400 -0.044 0.000 2.032 1086 K HA -0.075 4.242 4.320 -0.006 0.000 0.209 1086 K C 1.776 178.329 176.600 -0.077 0.000 1.048 1086 K CA 0.783 57.045 56.287 -0.042 0.000 0.927 1086 K CB -0.124 32.369 32.500 -0.012 0.000 0.712 1086 K HN -0.026 nan 8.250 nan 0.000 0.441 1087 L N 1.278 122.433 121.223 -0.112 0.000 2.012 1087 L HA -0.164 4.173 4.340 -0.006 0.000 0.210 1087 L C 2.362 179.129 176.870 -0.171 0.000 1.073 1087 L CA 1.654 56.414 54.840 -0.134 0.000 0.748 1087 L CB -0.721 41.253 42.059 -0.142 0.000 0.891 1087 L HN 0.147 nan 8.230 nan 0.000 0.431 1088 R N -1.515 118.782 120.500 -0.338 0.000 2.081 1088 R HA -0.168 4.168 4.340 -0.006 0.000 0.235 1088 R C 2.252 178.503 176.300 -0.082 0.000 1.131 1088 R CA 1.258 57.196 56.100 -0.269 0.000 0.960 1088 R CB -0.098 29.937 30.300 -0.442 0.000 0.856 1088 R HN 0.214 nan 8.270 nan 0.000 0.436 1089 M N 0.247 119.796 119.600 -0.085 0.000 2.073 1089 M HA -0.261 4.215 4.480 -0.006 0.000 0.258 1089 M C 2.273 178.562 176.300 -0.019 0.000 1.070 1089 M CA 1.926 57.203 55.300 -0.038 0.000 1.103 1089 M CB -0.671 31.907 32.600 -0.037 0.000 1.321 1089 M HN 0.279 nan 8.290 nan 0.000 0.405 1090 M N -2.084 117.504 119.600 -0.019 0.000 2.117 1090 M HA -0.240 4.236 4.480 -0.006 0.000 0.262 1090 M C 2.185 178.491 176.300 0.011 0.000 1.065 1090 M CA 1.839 57.133 55.300 -0.010 0.000 1.114 1090 M CB -0.935 31.656 32.600 -0.014 0.000 1.361 1090 M HN 0.310 nan 8.290 nan 0.000 0.408 1091 H N 0.724 119.760 119.070 -0.056 0.000 2.293 1091 H HA -0.132 4.420 4.556 -0.006 0.000 0.300 1091 H C 2.215 177.533 175.328 -0.016 0.000 1.082 1091 H CA 2.559 58.585 56.048 -0.036 0.000 1.308 1091 H CB -0.076 29.658 29.762 -0.046 0.000 1.375 1091 H HN 0.394 nan 8.280 nan 0.000 0.495 1092 S N -0.165 115.545 115.700 0.017 0.000 2.399 1092 S HA -0.231 4.236 4.470 -0.006 0.000 0.231 1092 S C 2.088 176.655 174.600 -0.056 0.000 1.022 1092 S CA 1.220 59.404 58.200 -0.027 0.000 0.983 1092 S CB -0.566 62.650 63.200 0.026 0.000 0.803 1092 S HN 0.691 nan 8.310 nan 0.000 0.480 1093 N N 1.230 119.904 118.700 -0.044 0.000 2.106 1093 N HA -0.150 4.586 4.740 -0.006 0.000 0.188 1093 N C 2.024 177.505 175.510 -0.048 0.000 1.029 1093 N CA 1.449 54.475 53.050 -0.039 0.000 0.848 1093 N CB -0.315 38.154 38.487 -0.031 0.000 1.007 1093 N HN 0.460 nan 8.380 nan 0.000 0.423 1094 M N 1.231 120.785 119.600 -0.076 0.000 2.065 1094 M HA -0.180 4.297 4.480 -0.006 0.000 0.259 1094 M C 1.711 177.980 176.300 -0.051 0.000 1.069 1094 M CA 1.741 56.997 55.300 -0.072 0.000 1.110 1094 M CB -0.325 32.205 32.600 -0.117 0.000 1.328 1094 M HN 0.193 nan 8.290 nan 0.000 0.405 1095 E N -0.771 119.349 120.200 -0.134 0.000 2.160 1095 E HA -0.173 4.173 4.350 -0.006 0.000 0.195 1095 E C 1.748 178.354 176.600 0.011 0.000 0.991 1095 E CA 1.876 58.244 56.400 -0.054 0.000 0.810 1095 E CB -0.070 29.551 29.700 -0.132 0.000 0.742 1095 E HN 0.601 nan 8.360 nan 0.000 0.466 1096 T N 1.495 116.037 114.554 -0.021 0.000 2.674 1096 T HA -0.153 4.194 4.350 -0.006 0.000 0.265 1096 T C 1.955 176.652 174.700 -0.004 0.000 1.039 1096 T CA 0.946 63.033 62.100 -0.022 0.000 1.150 1096 T CB -0.299 68.551 68.868 -0.029 0.000 0.864 1096 T HN 0.102 nan 8.240 nan 0.000 0.427 1097 L N -0.249 120.988 121.223 0.023 0.000 2.187 1097 L HA -0.124 4.213 4.340 -0.006 0.000 0.213 1097 L C 2.404 179.355 176.870 0.135 0.000 1.100 1097 L CA 1.211 56.083 54.840 0.054 0.000 0.765 1097 L CB -0.566 41.529 42.059 0.059 0.000 0.904 1097 L HN 0.249 nan 8.230 nan 0.000 0.437 1098 Y N 0.777 121.073 120.300 -0.006 0.000 2.153 1098 Y HA -0.200 4.346 4.550 -0.006 0.000 0.289 1098 Y C 2.626 178.462 175.900 -0.107 0.000 1.127 1098 Y CA 1.320 59.410 58.100 -0.016 0.000 1.131 1098 Y CB -0.216 38.246 38.460 0.003 0.000 0.995 1098 Y HN -0.042 nan 8.280 nan 0.000 0.505 1099 K N 0.731 121.018 120.400 -0.188 0.000 2.152 1099 K HA -0.243 4.074 4.320 -0.006 0.000 0.206 1099 K C 1.950 178.386 176.600 -0.273 0.000 1.048 1099 K CA 1.758 57.856 56.287 -0.315 0.000 0.933 1099 K CB -0.140 32.250 32.500 -0.184 0.000 0.721 1099 K HN 0.399 nan 8.250 nan 0.000 0.447 1100 E N 0.599 120.708 120.200 -0.151 0.000 2.077 1100 E HA -0.112 4.234 4.350 -0.006 0.000 0.193 1100 E C 2.082 178.613 176.600 -0.115 0.000 0.989 1100 E CA 1.005 57.335 56.400 -0.118 0.000 0.800 1100 E CB -0.047 29.609 29.700 -0.073 0.000 0.746 1100 E HN 0.238 nan 8.360 nan 0.000 0.452 1101 L N -0.615 120.564 121.223 -0.074 0.000 2.046 1101 L HA -0.102 4.235 4.340 -0.006 0.000 0.208 1101 L C 2.441 179.190 176.870 -0.201 0.000 1.077 1101 L CA 1.146 56.026 54.840 0.067 0.000 0.747 1101 L CB -0.743 41.491 42.059 0.291 0.000 0.896 1101 L HN 0.328 nan 8.230 nan 0.000 0.432 1102 G N -0.230 108.077 108.800 -0.821 0.000 2.476 1102 G HA2 -0.296 3.661 3.960 -0.006 0.000 0.218 1102 G HA3 -0.296 3.661 3.960 -0.006 0.000 0.218 1102 G C 1.104 175.599 174.900 -0.674 0.000 1.164 1102 G CA 1.117 45.340 45.100 -1.461 0.000 0.768 1102 G HN 0.319 nan 8.290 nan 0.000 0.560 1103 D N -1.251 118.921 120.400 -0.379 0.000 2.224 1103 D HA -0.036 4.600 4.640 -0.006 0.000 0.205 1103 D C 1.854 178.079 176.300 -0.125 0.000 0.965 1103 D CA 0.508 54.380 54.000 -0.213 0.000 0.852 1103 D CB -0.150 40.557 40.800 -0.155 0.000 0.947 1103 D HN 0.408 nan 8.370 nan 0.000 0.494 1104 Y N -0.266 119.881 120.300 -0.256 0.000 2.201 1104 Y HA 0.033 4.579 4.550 -0.006 0.000 0.292 1104 Y C 1.483 177.194 175.900 -0.316 0.000 1.119 1104 Y CA 1.141 59.050 58.100 -0.318 0.000 1.127 1104 Y CB -0.296 37.905 38.460 -0.432 0.000 1.019 1104 Y HN -0.155 nan 8.280 nan 0.000 0.514 1105 F N -0.469 119.493 119.950 0.019 0.000 2.732 1105 F HA 0.211 4.734 4.527 -0.005 0.000 0.303 1105 F C 0.834 176.674 175.800 0.067 0.000 1.110 1105 F CA 0.293 58.313 58.000 0.033 0.000 1.355 1105 F CB 0.360 39.549 39.000 0.315 0.000 1.081 1105 F HN -0.236 nan 8.300 nan 0.000 0.565 1106 V N 2.411 122.376 119.914 0.084 0.000 5.702 1106 V HA -0.305 3.811 4.120 -0.006 0.000 0.268 1106 V C -1.068 175.124 176.094 0.163 0.000 0.689 1106 V CA 0.651 62.962 62.300 0.019 0.000 0.965 1106 V CB -1.455 30.356 31.823 -0.020 0.000 1.107 1106 V HN 0.385 nan 8.190 nan 0.000 0.434 1107 F N 3.063 123.000 119.950 -0.022 0.000 2.665 1107 F HA 0.696 5.220 4.527 -0.005 0.000 0.308 1107 F C -0.701 175.046 175.800 -0.088 0.000 1.112 1107 F CA -1.326 56.659 58.000 -0.025 0.000 0.972 1107 F CB 1.145 40.159 39.000 0.024 0.000 1.295 1107 F HN 0.243 nan 8.300 nan 0.000 0.440 1108 D N 4.174 124.627 120.400 0.089 0.000 2.342 1108 D HA 0.306 4.943 4.640 -0.006 0.000 0.260 1108 D C -1.770 174.522 176.300 -0.013 0.000 1.278 1108 D CA -2.111 51.872 54.000 -0.028 0.000 0.910 1108 D CB 1.354 42.173 40.800 0.032 0.000 1.079 1108 D HN 0.325 nan 8.370 nan 0.000 0.496 1109 P HA -0.029 nan 4.420 nan 0.000 0.229 1109 P C 0.904 178.158 177.300 -0.077 0.000 1.160 1109 P CA 0.550 63.431 63.100 -0.365 0.000 0.777 1109 P CB 0.412 31.684 31.700 -0.714 0.000 0.814 1110 K N -0.385 119.992 120.400 -0.038 0.000 2.296 1110 K HA -0.025 4.292 4.320 -0.006 0.000 0.200 1110 K C 1.850 178.494 176.600 0.074 0.000 1.048 1110 K CA 0.926 57.229 56.287 0.027 0.000 0.966 1110 K CB -0.125 32.377 32.500 0.002 0.000 0.754 1110 K HN -0.192 nan 8.250 nan 0.000 0.466 1111 K N -0.327 120.128 120.400 0.092 0.000 2.361 1111 K HA 0.212 4.529 4.320 -0.006 0.000 0.194 1111 K C -0.807 175.878 176.600 0.141 0.000 1.032 1111 K CA 0.116 56.466 56.287 0.105 0.000 1.048 1111 K CB 0.443 32.998 32.500 0.090 0.000 0.842 1111 K HN -0.059 nan 8.250 nan 0.000 0.526 1112 L N 1.353 122.695 121.223 0.198 0.000 2.372 1112 L HA 0.385 4.722 4.340 -0.006 0.000 0.274 1112 L C -0.611 176.445 176.870 0.309 0.000 0.988 1112 L CA -0.469 54.513 54.840 0.236 0.000 0.833 1112 L CB 1.268 43.488 42.059 0.268 0.000 1.236 1112 L HN 0.116 nan 8.230 nan 0.000 0.410 1113 S N 2.765 118.598 115.700 0.222 0.000 2.584 1113 S HA 0.281 4.747 4.470 -0.006 0.000 0.270 1113 S C 1.448 176.126 174.600 0.130 0.000 1.346 1113 S CA -0.446 57.868 58.200 0.191 0.000 1.018 1113 S CB 1.002 64.279 63.200 0.127 0.000 0.899 1113 S HN 0.398 nan 8.310 nan 0.000 0.542 1114 V N 1.791 121.687 119.914 -0.029 0.000 2.287 1114 V HA -0.212 3.904 4.120 -0.006 0.000 0.248 1114 V C 2.486 178.657 176.094 0.129 0.000 1.053 1114 V CA 2.298 64.472 62.300 -0.209 0.000 1.027 1114 V CB -1.664 29.994 31.823 -0.276 0.000 0.646 1114 V HN 0.919 nan 8.190 nan 0.000 0.447 1115 E N 0.623 120.893 120.200 0.117 0.000 2.033 1115 E HA -0.242 4.104 4.350 -0.006 0.000 0.199 1115 E C 2.172 178.854 176.600 0.135 0.000 1.011 1115 E CA 1.581 58.059 56.400 0.130 0.000 0.815 1115 E CB -0.498 29.248 29.700 0.075 0.000 0.755 1115 E HN 0.567 nan 8.360 nan 0.000 0.451 1116 E N 0.044 120.314 120.200 0.118 0.000 2.114 1116 E HA -0.224 4.123 4.350 -0.006 0.000 0.199 1116 E C 1.995 178.659 176.600 0.107 0.000 1.008 1116 E CA 1.244 57.709 56.400 0.109 0.000 0.810 1116 E CB -0.341 29.430 29.700 0.118 0.000 0.739 1116 E HN 0.315 nan 8.360 nan 0.000 0.456 1117 F N 0.193 120.119 119.950 -0.040 0.000 2.128 1117 F HA -0.119 4.405 4.527 -0.005 0.000 0.295 1117 F C 1.994 177.658 175.800 -0.227 0.000 1.100 1117 F CA 1.196 59.088 58.000 -0.180 0.000 1.260 1117 F CB -0.387 38.475 39.000 -0.231 0.000 1.009 1117 F HN -0.121 nan 8.300 nan 0.000 0.476 1118 F N -0.699 119.239 119.950 -0.020 0.000 2.748 1118 F HA -0.069 4.454 4.527 -0.006 0.000 0.299 1118 F C 2.052 177.815 175.800 -0.063 0.000 1.154 1118 F CA 0.298 58.235 58.000 -0.106 0.000 1.446 1118 F CB -0.239 38.776 39.000 0.024 0.000 1.112 1118 F HN 0.115 nan 8.300 nan 0.000 0.584 1119 M N 0.597 120.253 119.600 0.094 0.000 2.134 1119 M HA -0.109 4.367 4.480 -0.006 0.000 0.262 1119 M C 1.598 177.935 176.300 0.061 0.000 1.076 1119 M CA 1.841 57.190 55.300 0.082 0.000 1.143 1119 M CB -0.566 32.067 32.600 0.055 0.000 1.346 1119 M HN -0.165 nan 8.290 nan 0.000 0.421 1120 D N 0.183 120.562 120.400 -0.036 0.000 2.158 1120 D HA -0.198 4.439 4.640 -0.006 0.000 0.197 1120 D C 2.041 178.308 176.300 -0.055 0.000 0.995 1120 D CA 1.140 55.100 54.000 -0.066 0.000 0.846 1120 D CB -0.439 40.268 40.800 -0.154 0.000 0.941 1120 D HN 0.264 nan 8.370 nan 0.000 0.456 1121 L N 0.090 121.212 121.223 -0.168 0.000 2.044 1121 L HA -0.158 4.178 4.340 -0.006 0.000 0.205 1121 L C 2.288 179.234 176.870 0.126 0.000 1.075 1121 L CA 1.677 56.465 54.840 -0.086 0.000 0.747 1121 L CB -0.939 40.950 42.059 -0.284 0.000 0.903 1121 L HN 0.185 nan 8.230 nan 0.000 0.435 1122 H N 0.235 119.336 119.070 0.051 0.000 2.319 1122 H HA -0.178 4.374 4.556 -0.006 0.000 0.299 1122 H C 2.010 177.375 175.328 0.062 0.000 1.092 1122 H CA 2.265 58.348 56.048 0.058 0.000 1.302 1122 H CB 0.197 29.984 29.762 0.043 0.000 1.373 1122 H HN 0.284 nan 8.280 nan 0.000 0.497 1123 N N -0.147 118.638 118.700 0.142 0.000 2.104 1123 N HA -0.179 4.558 4.740 -0.006 0.000 0.190 1123 N C 1.795 177.345 175.510 0.066 0.000 1.024 1123 N CA 1.330 54.433 53.050 0.089 0.000 0.853 1123 N CB -0.702 37.854 38.487 0.116 0.000 1.008 1123 N HN 0.380 nan 8.380 nan 0.000 0.424 1124 F N 2.449 122.401 119.950 0.003 0.000 2.102 1124 F HA -0.093 4.431 4.527 -0.004 0.000 0.298 1124 F C 2.499 178.367 175.800 0.113 0.000 1.105 1124 F CA 1.262 59.302 58.000 0.066 0.000 1.239 1124 F CB -0.243 38.817 39.000 0.100 0.000 0.991 1124 F HN -0.084 nan 8.300 nan 0.000 0.474 1125 R N 0.625 121.126 120.500 0.001 0.000 2.115 1125 R HA -0.256 4.081 4.340 -0.006 0.000 0.239 1125 R C 1.895 178.057 176.300 -0.231 0.000 1.133 1125 R CA 2.281 58.272 56.100 -0.181 0.000 0.935 1125 R CB -0.858 29.314 30.300 -0.213 0.000 0.853 1125 R HN 0.322 nan 8.270 nan 0.000 0.433 1126 N N 0.204 118.761 118.700 -0.239 0.000 2.289 1126 N HA -0.132 4.605 4.740 -0.006 0.000 0.184 1126 N C 1.776 177.206 175.510 -0.133 0.000 1.016 1126 N CA 1.351 54.289 53.050 -0.188 0.000 0.872 1126 N CB -0.201 38.169 38.487 -0.194 0.000 0.973 1126 N HN 0.356 nan 8.380 nan 0.000 0.433 1127 M N -1.037 118.473 119.600 -0.149 0.000 2.200 1127 M HA -0.061 4.415 4.480 -0.006 0.000 0.265 1127 M C 1.738 177.925 176.300 -0.188 0.000 1.066 1127 M CA 1.049 56.260 55.300 -0.149 0.000 1.127 1127 M CB -0.238 32.285 32.600 -0.129 0.000 1.379 1127 M HN 0.041 nan 8.290 nan 0.000 0.420 1128 F N 1.302 120.998 119.950 -0.424 0.000 2.084 1128 F HA -0.174 4.350 4.527 -0.004 0.000 0.296 1128 F C 1.956 177.648 175.800 -0.181 0.000 1.111 1128 F CA 1.532 59.331 58.000 -0.335 0.000 1.224 1128 F CB -0.132 38.637 39.000 -0.385 0.000 0.991 1128 F HN -0.060 nan 8.300 nan 0.000 0.471 1129 L N -0.085 121.158 121.223 0.034 0.000 2.083 1129 L HA -0.231 4.106 4.340 -0.006 0.000 0.209 1129 L C 2.442 179.266 176.870 -0.076 0.000 1.083 1129 L CA 1.504 56.334 54.840 -0.017 0.000 0.752 1129 L CB -0.717 41.313 42.059 -0.047 0.000 0.899 1129 L HN 0.247 nan 8.230 nan 0.000 0.433 1130 Q N 0.301 120.050 119.800 -0.085 0.000 2.079 1130 Q HA -0.124 4.212 4.340 -0.006 0.000 0.200 1130 Q C 2.169 178.140 176.000 -0.048 0.000 0.974 1130 Q CA 1.878 57.645 55.803 -0.060 0.000 0.840 1130 Q CB -0.208 28.500 28.738 -0.050 0.000 0.898 1130 Q HN 0.404 nan 8.270 nan 0.000 0.430 1131 A N -0.569 122.187 122.820 -0.105 0.000 2.019 1131 A HA -0.082 4.234 4.320 -0.006 0.000 0.219 1131 A C 2.245 179.791 177.584 -0.062 0.000 1.164 1131 A CA 1.406 53.426 52.037 -0.027 0.000 0.644 1131 A CB -0.640 18.213 19.000 -0.244 0.000 0.805 1131 A HN 0.279 nan 8.150 nan 0.000 0.449 1132 V N -0.175 119.624 119.914 -0.190 0.000 2.379 1132 V HA -0.205 3.911 4.120 -0.006 0.000 0.245 1132 V C 2.406 178.451 176.094 -0.083 0.000 1.044 1132 V CA 2.263 64.466 62.300 -0.162 0.000 1.036 1132 V CB -0.421 31.309 31.823 -0.155 0.000 0.664 1132 V HN 0.557 nan 8.190 nan 0.000 0.453 1133 K N -0.565 119.798 120.400 -0.062 0.000 2.167 1133 K HA -0.090 4.227 4.320 -0.006 0.000 0.203 1133 K C 2.040 178.610 176.600 -0.050 0.000 1.052 1133 K CA 0.944 57.203 56.287 -0.047 0.000 0.956 1133 K CB -0.064 32.414 32.500 -0.037 0.000 0.735 1133 K HN 0.501 nan 8.250 nan 0.000 0.451 1134 E N 0.692 120.865 120.200 -0.045 0.000 2.204 1134 E HA -0.132 4.214 4.350 -0.006 0.000 0.194 1134 E C 1.508 178.022 176.600 -0.142 0.000 0.989 1134 E CA 0.691 57.042 56.400 -0.080 0.000 0.824 1134 E CB 0.084 29.761 29.700 -0.039 0.000 0.756 1134 E HN 0.252 nan 8.360 nan 0.000 0.477 1135 N N 0.689 119.322 118.700 -0.112 0.000 2.207 1135 N HA -0.104 4.632 4.740 -0.006 0.000 0.182 1135 N C 1.712 177.169 175.510 -0.088 0.000 1.020 1135 N CA 0.833 53.814 53.050 -0.114 0.000 0.858 1135 N CB -0.080 38.352 38.487 -0.093 0.000 0.991 1135 N HN 0.205 nan 8.380 nan 0.000 0.427 1136 Q N 0.839 120.597 119.800 -0.070 0.000 1.965 1136 Q HA -0.081 4.256 4.340 -0.006 0.000 0.200 1136 Q C 2.026 177.995 176.000 -0.053 0.000 0.981 1136 Q CA 1.184 56.955 55.803 -0.054 0.000 0.834 1136 Q CB -0.100 28.613 28.738 -0.043 0.000 0.900 1136 Q HN 0.164 nan 8.270 nan 0.000 0.426 1137 K N 1.192 121.560 120.400 -0.053 0.000 2.059 1137 K HA -0.259 4.058 4.320 -0.006 0.000 0.212 1137 K C 2.046 178.614 176.600 -0.055 0.000 1.050 1137 K CA 1.727 57.985 56.287 -0.049 0.000 0.927 1137 K CB -0.227 32.245 32.500 -0.046 0.000 0.714 1137 K HN 0.080 nan 8.250 nan 0.000 0.447 1138 R N 0.425 120.881 120.500 -0.074 0.000 2.096 1138 R HA -0.089 4.248 4.340 -0.006 0.000 0.235 1138 R C 2.506 178.769 176.300 -0.063 0.000 1.127 1138 R CA 1.327 57.380 56.100 -0.077 0.000 0.968 1138 R CB -0.096 30.135 30.300 -0.115 0.000 0.861 1138 R HN 0.163 nan 8.270 nan 0.000 0.440 1139 R N 0.339 120.802 120.500 -0.061 0.000 2.115 1139 R HA -0.076 4.261 4.340 -0.006 0.000 0.226 1139 R C 1.758 178.035 176.300 -0.039 0.000 1.100 1139 R CA 1.423 57.492 56.100 -0.050 0.000 0.980 1139 R CB 0.092 30.361 30.300 -0.052 0.000 0.875 1139 R HN 0.337 nan 8.270 nan 0.000 0.445 1140 E N -0.832 119.346 120.200 -0.038 0.000 2.110 1140 E HA -0.139 4.207 4.350 -0.006 0.000 0.193 1140 E C 1.683 178.266 176.600 -0.028 0.000 0.988 1140 E CA 1.758 58.140 56.400 -0.031 0.000 0.804 1140 E CB 0.032 29.715 29.700 -0.029 0.000 0.745 1140 E HN 0.298 nan 8.360 nan 0.000 0.458 1141 T N 1.368 115.903 114.554 -0.031 0.000 2.833 1141 T HA -0.139 4.207 4.350 -0.006 0.000 0.269 1141 T C 1.492 176.177 174.700 -0.025 0.000 1.054 1141 T CA 1.027 63.110 62.100 -0.028 0.000 1.135 1141 T CB -0.083 68.766 68.868 -0.032 0.000 0.869 1141 T HN 0.152 nan 8.240 nan 0.000 0.466 1142 E N 1.073 121.257 120.200 -0.028 0.000 2.046 1142 E HA -0.079 4.267 4.350 -0.006 0.000 0.190 1142 E C 2.285 178.873 176.600 -0.020 0.000 0.982 1142 E CA 0.904 57.290 56.400 -0.024 0.000 0.800 1142 E CB -0.308 29.376 29.700 -0.027 0.000 0.756 1142 E HN 0.446 nan 8.360 nan 0.000 0.449 1143 E N 1.626 121.813 120.200 -0.021 0.000 2.110 1143 E HA -0.138 4.209 4.350 -0.006 0.000 0.193 1143 E C 1.838 178.429 176.600 -0.015 0.000 0.988 1143 E CA 1.292 57.681 56.400 -0.018 0.000 0.804 1143 E CB 0.061 29.749 29.700 -0.019 0.000 0.745 1143 E HN 0.099 nan 8.360 nan 0.000 0.458 1144 K N -0.378 120.012 120.400 -0.016 0.000 2.057 1144 K HA -0.064 4.253 4.320 -0.006 0.000 0.206 1144 K C 2.212 178.805 176.600 -0.012 0.000 1.050 1144 K CA 1.461 57.740 56.287 -0.014 0.000 0.935 1144 K CB -0.199 32.292 32.500 -0.014 0.000 0.715 1144 K HN 0.236 nan 8.250 nan 0.000 0.439 1145 M N 0.401 119.993 119.600 -0.013 0.000 2.394 1145 M HA -0.069 4.408 4.480 -0.006 0.000 0.264 1145 M C 1.710 178.003 176.300 -0.010 0.000 1.073 1145 M CA 1.063 56.355 55.300 -0.012 0.000 1.111 1145 M CB 0.244 32.836 32.600 -0.013 0.000 1.401 1145 M HN -0.003 nan 8.290 nan 0.000 0.448 1146 R N -0.245 120.248 120.500 -0.011 0.000 2.127 1146 R HA 0.049 4.385 4.340 -0.006 0.000 0.217 1146 R C 2.000 178.295 176.300 -0.009 0.000 1.074 1146 R CA 0.842 56.936 56.100 -0.010 0.000 0.991 1146 R CB -0.398 29.896 30.300 -0.011 0.000 0.895 1146 R HN 0.430 nan 8.270 nan 0.000 0.450 1147 R N 0.079 120.574 120.500 -0.009 0.000 2.090 1147 R HA 0.038 4.374 4.340 -0.006 0.000 0.228 1147 R C 2.093 178.389 176.300 -0.007 0.000 1.110 1147 R CA 1.206 57.301 56.100 -0.008 0.000 0.973 1147 R CB -0.142 30.153 30.300 -0.009 0.000 0.869 1147 R HN 0.112 nan 8.270 nan 0.000 0.440 1148 A N 0.883 123.699 122.820 -0.007 0.000 1.969 1148 A HA -0.150 4.167 4.320 -0.006 0.000 0.218 1148 A C 1.954 179.534 177.584 -0.006 0.000 1.169 1148 A CA 1.180 53.213 52.037 -0.006 0.000 0.635 1148 A CB -0.146 18.849 19.000 -0.007 0.000 0.810 1148 A HN 0.145 nan 8.150 nan 0.000 0.445 1149 K N -0.690 119.707 120.400 -0.006 0.000 2.262 1149 K HA 0.202 4.519 4.320 -0.006 0.000 0.200 1149 K C 1.764 178.362 176.600 -0.004 0.000 1.049 1149 K CA 0.274 56.558 56.287 -0.005 0.000 0.979 1149 K CB -0.133 32.364 32.500 -0.005 0.000 0.773 1149 K HN 0.466 nan 8.250 nan 0.000 0.474 1150 L N 0.296 121.517 121.223 -0.005 0.000 2.027 1150 L HA -0.132 4.204 4.340 -0.006 0.000 0.206 1150 L C 2.433 179.301 176.870 -0.003 0.000 1.074 1150 L CA 1.288 56.126 54.840 -0.004 0.000 0.745 1150 L CB -0.446 41.611 42.059 -0.005 0.000 0.898 1150 L HN 0.196 nan 8.230 nan 0.000 0.433 1151 A N -0.690 122.127 122.820 -0.004 0.000 2.070 1151 A HA -0.217 4.099 4.320 -0.006 0.000 0.220 1151 A C 2.355 179.938 177.584 -0.002 0.000 1.159 1151 A CA 1.535 53.570 52.037 -0.003 0.000 0.656 1151 A CB -0.316 18.682 19.000 -0.004 0.000 0.800 1151 A HN 0.293 nan 8.150 nan 0.000 0.453 1152 K N -0.634 119.765 120.400 -0.003 0.000 2.211 1152 K HA -0.004 4.313 4.320 -0.006 0.000 0.201 1152 K C 1.736 178.335 176.600 -0.002 0.000 1.052 1152 K CA 0.733 57.019 56.287 -0.002 0.000 0.973 1152 K CB -0.006 32.492 32.500 -0.002 0.000 0.766 1152 K HN 0.591 nan 8.250 nan 0.000 0.466 1153 E N 0.640 120.839 120.200 -0.002 0.000 2.072 1153 E HA -0.215 4.131 4.350 -0.006 0.000 0.191 1153 E C 1.887 178.487 176.600 -0.001 0.000 0.985 1153 E CA 1.176 57.575 56.400 -0.001 0.000 0.801 1153 E CB 0.099 29.798 29.700 -0.002 0.000 0.750 1153 E HN 0.097 nan 8.360 nan 0.000 0.452 1154 K N 1.023 121.422 120.400 -0.001 0.000 2.097 1154 K HA -0.091 4.225 4.320 -0.006 0.000 0.205 1154 K C 1.884 178.485 176.600 0.000 0.000 1.050 1154 K CA 1.246 57.533 56.287 -0.000 0.000 0.938 1154 K CB -0.095 32.404 32.500 -0.001 0.000 0.718 1154 K HN 0.072 nan 8.250 nan 0.000 0.442 1155 A N 0.619 123.439 122.820 0.000 0.000 1.897 1155 A HA -0.139 4.178 4.320 -0.006 0.000 0.215 1155 A C 2.073 179.658 177.584 0.002 0.000 1.181 1155 A CA 1.767 53.804 52.037 0.001 0.000 0.620 1155 A CB -0.609 18.392 19.000 0.001 0.000 0.821 1155 A HN 0.537 nan 8.150 nan 0.000 0.443 1156 E N 0.456 120.656 120.200 0.001 0.000 2.072 1156 E HA -0.159 4.187 4.350 -0.006 0.000 0.190 1156 E C 1.944 178.544 176.600 0.001 0.000 0.982 1156 E CA 1.728 58.128 56.400 0.001 0.000 0.803 1156 E CB -0.279 29.421 29.700 0.000 0.000 0.755 1156 E HN 0.543 nan 8.360 nan 0.000 0.453 1157 K N 0.433 120.834 120.400 0.001 0.000 2.009 1157 K HA -0.241 4.076 4.320 -0.006 0.000 0.210 1157 K C 2.100 178.701 176.600 0.002 0.000 1.049 1157 K CA 1.958 58.245 56.287 0.001 0.000 0.929 1157 K CB -0.184 32.316 32.500 0.000 0.000 0.714 1157 K HN 0.206 nan 8.250 nan 0.000 0.440 1158 E N -0.091 120.111 120.200 0.003 0.000 2.160 1158 E HA -0.213 4.133 4.350 -0.006 0.000 0.195 1158 E C 2.242 178.846 176.600 0.005 0.000 0.991 1158 E CA 0.751 57.153 56.400 0.004 0.000 0.810 1158 E CB -0.014 29.689 29.700 0.004 0.000 0.742 1158 E HN 0.191 nan 8.360 nan 0.000 0.466 1159 R N 0.912 121.414 120.500 0.004 0.000 2.066 1159 R HA -0.092 4.244 4.340 -0.006 0.000 0.232 1159 R C 2.296 178.598 176.300 0.004 0.000 1.131 1159 R CA 0.733 56.836 56.100 0.005 0.000 0.955 1159 R CB -0.535 29.767 30.300 0.004 0.000 0.851 1159 R HN 0.234 nan 8.270 nan 0.000 0.432 1160 L N 1.590 122.815 121.223 0.002 0.000 2.017 1160 L HA -0.175 4.162 4.340 -0.006 0.000 0.208 1160 L C 2.249 179.120 176.870 0.001 0.000 1.073 1160 L CA 1.899 56.740 54.840 0.001 0.000 0.745 1160 L CB -0.955 41.104 42.059 0.000 0.000 0.894 1160 L HN 0.331 nan 8.230 nan 0.000 0.432 1161 E N -0.187 120.014 120.200 0.002 0.000 2.097 1161 E HA -0.312 4.035 4.350 -0.006 0.000 0.196 1161 E C 2.222 178.823 176.600 0.002 0.000 1.000 1161 E CA 1.688 58.089 56.400 0.002 0.000 0.804 1161 E CB -0.018 29.684 29.700 0.003 0.000 0.740 1161 E HN 0.328 nan 8.360 nan 0.000 0.454 1162 K N -0.076 120.327 120.400 0.005 0.000 2.097 1162 K HA -0.166 4.150 4.320 -0.006 0.000 0.205 1162 K C 2.305 178.907 176.600 0.003 0.000 1.050 1162 K CA 0.945 57.237 56.287 0.008 0.000 0.938 1162 K CB 0.073 32.581 32.500 0.014 0.000 0.718 1162 K HN 0.123 nan 8.250 nan 0.000 0.442 1163 Q N 0.894 120.695 119.800 0.001 0.000 2.020 1163 Q HA -0.182 4.155 4.340 -0.006 0.000 0.202 1163 Q C 2.068 178.063 176.000 -0.008 0.000 0.982 1163 Q CA 1.627 57.428 55.803 -0.003 0.000 0.838 1163 Q CB -0.159 28.577 28.738 -0.002 0.000 0.899 1163 Q HN 0.457 nan 8.270 nan 0.000 0.423 1164 Q N 0.273 120.069 119.800 -0.007 0.000 2.096 1164 Q HA -0.172 4.164 4.340 -0.006 0.000 0.204 1164 Q C 1.980 177.972 176.000 -0.013 0.000 0.982 1164 Q CA 1.252 57.050 55.803 -0.009 0.000 0.850 1164 Q CB -0.179 28.555 28.738 -0.007 0.000 0.901 1164 Q HN 0.260 nan 8.270 nan 0.000 0.422 1165 K N 0.356 120.749 120.400 -0.011 0.000 2.280 1165 K HA -0.128 4.188 4.320 -0.006 0.000 0.202 1165 K C 1.956 178.539 176.600 -0.028 0.000 1.047 1165 K CA 0.805 57.083 56.287 -0.015 0.000 0.942 1165 K CB -0.010 32.485 32.500 -0.007 0.000 0.739 1165 K HN 0.039 nan 8.250 nan 0.000 0.457 1166 R N 0.618 121.100 120.500 -0.031 0.000 2.254 1166 R HA 0.017 4.353 4.340 -0.006 0.000 0.195 1166 R C 1.118 177.391 176.300 -0.044 0.000 0.957 1166 R CA 0.547 56.618 56.100 -0.048 0.000 1.024 1166 R CB 0.412 30.685 30.300 -0.045 0.000 0.952 1166 R HN 0.175 nan 8.270 nan 0.000 0.484 1167 E N -0.208 119.974 120.200 -0.030 0.000 2.385 1167 E HA -0.061 4.285 4.350 -0.006 0.000 0.194 1167 E C 1.158 177.743 176.600 -0.025 0.000 1.013 1167 E CA 0.240 56.624 56.400 -0.026 0.000 0.866 1167 E CB 0.398 30.087 29.700 -0.018 0.000 0.832 1167 E HN 0.337 nan 8.360 nan 0.000 0.500 1168 Q N 0.293 120.077 119.800 -0.026 0.000 2.515 1168 Q HA -0.017 4.320 4.340 -0.006 0.000 0.212 1168 Q C 1.732 177.714 176.000 -0.029 0.000 0.970 1168 Q CA 0.258 56.047 55.803 -0.024 0.000 0.941 1168 Q CB 0.235 28.961 28.738 -0.021 0.000 0.998 1168 Q HN 0.309 nan 8.270 nan 0.000 0.518 1169 L N -0.467 120.733 121.223 -0.038 0.000 2.071 1169 L HA 0.064 4.401 4.340 -0.006 0.000 0.201 1169 L C 0.872 177.721 176.870 -0.035 0.000 1.076 1169 L CA 0.812 55.625 54.840 -0.044 0.000 0.755 1169 L CB 0.411 42.432 42.059 -0.063 0.000 0.915 1169 L HN 0.179 nan 8.230 nan 0.000 0.445 1170 I N -0.189 120.362 120.570 -0.032 0.000 2.499 1170 I HA 0.186 4.352 4.170 -0.006 0.000 0.288 1170 I C -1.353 174.752 176.117 -0.021 0.000 1.048 1170 I CA -0.488 60.797 61.300 -0.026 0.000 1.062 1170 I CB 1.698 39.681 38.000 -0.028 0.000 1.238 1170 I HN 0.065 nan 8.210 nan 0.000 0.426 1171 D N 8.344 128.734 120.400 -0.017 0.000 2.483 1171 D HA 0.196 4.832 4.640 -0.006 0.000 0.220 1171 D C 1.111 177.404 176.300 -0.012 0.000 1.173 1171 D CA -0.057 53.934 54.000 -0.014 0.000 0.964 1171 D CB 0.546 41.339 40.800 -0.012 0.000 1.046 1171 D HN 0.323 nan 8.370 nan 0.000 0.517 1172 M N 1.188 120.780 119.600 -0.013 0.000 2.747 1172 M HA -0.020 4.456 4.480 -0.006 0.000 0.221 1172 M C 0.910 177.205 176.300 -0.009 0.000 1.107 1172 M CA 0.346 55.640 55.300 -0.011 0.000 1.031 1172 M CB -0.375 32.218 32.600 -0.011 0.000 1.727 1172 M HN 0.345 nan 8.290 nan 0.000 0.517 1173 N N 1.063 119.758 118.700 -0.008 0.000 2.119 1173 N HA -0.012 4.724 4.740 -0.006 0.000 0.190 1173 N C 1.137 176.643 175.510 -0.006 0.000 1.068 1173 N CA 1.689 54.735 53.050 -0.007 0.000 0.872 1173 N CB 0.222 38.705 38.487 -0.007 0.000 1.053 1173 N HN 0.359 nan 8.380 nan 0.000 0.447 1174 A N -0.237 122.579 122.820 -0.006 0.000 2.654 1174 A HA 0.167 4.484 4.320 -0.006 0.000 0.203 1174 A C -0.235 177.346 177.584 -0.005 0.000 1.306 1174 A CA -0.262 51.772 52.037 -0.005 0.000 1.041 1174 A CB -0.009 18.989 19.000 -0.004 0.000 1.217 1174 A HN 0.199 nan 8.150 nan 0.000 0.510 1175 E N 0.516 120.713 120.200 -0.006 0.000 2.438 1175 E HA 0.379 4.725 4.350 -0.006 0.000 0.261 1175 E C 1.032 177.629 176.600 -0.005 0.000 1.103 1175 E CA 1.011 57.408 56.400 -0.005 0.000 0.959 1175 E CB 0.307 30.003 29.700 -0.006 0.000 0.958 1175 E HN 0.476 nan 8.360 nan 0.000 0.447 1176 G N 2.039 110.837 108.800 -0.005 0.000 2.187 1176 G HA2 -0.114 3.842 3.960 -0.006 0.000 0.239 1176 G HA3 -0.114 3.842 3.960 -0.006 0.000 0.239 1176 G C -0.427 174.470 174.900 -0.005 0.000 1.200 1176 G CA -0.381 44.717 45.100 -0.004 0.000 0.888 1176 G HN 0.391 nan 8.290 nan 0.000 0.482 1177 D N 1.974 122.371 120.400 -0.005 0.000 2.358 1177 D HA 0.192 4.829 4.640 -0.006 0.000 0.258 1177 D C 0.651 176.948 176.300 -0.005 0.000 1.223 1177 D CA 0.878 54.875 54.000 -0.005 0.000 0.886 1177 D CB 0.994 41.792 40.800 -0.004 0.000 1.120 1177 D HN 0.469 nan 8.370 nan 0.000 0.482 1178 E N -0.277 119.920 120.200 -0.005 0.000 2.410 1178 E HA 0.265 4.611 4.350 -0.006 0.000 0.269 1178 E C 0.101 176.697 176.600 -0.006 0.000 0.937 1178 E CA -0.584 55.813 56.400 -0.005 0.000 0.793 1178 E CB 1.616 31.313 29.700 -0.005 0.000 1.314 1178 E HN 0.289 nan 8.360 nan 0.000 0.447 1179 T N -1.989 112.562 114.554 -0.005 0.000 3.251 1179 T HA 0.230 4.577 4.350 -0.006 0.000 0.259 1179 T C 1.049 175.745 174.700 -0.006 0.000 0.998 1179 T CA 0.023 62.120 62.100 -0.005 0.000 0.905 1179 T CB 0.133 68.999 68.868 -0.004 0.000 1.067 1179 T HN 0.490 nan 8.240 nan 0.000 0.569 1180 G N 1.976 110.772 108.800 -0.007 0.000 2.551 1180 G HA2 0.034 3.990 3.960 -0.006 0.000 0.214 1180 G HA3 0.034 3.990 3.960 -0.006 0.000 0.214 1180 G C 1.219 176.113 174.900 -0.010 0.000 1.250 1180 G CA 0.950 46.045 45.100 -0.008 0.000 0.825 1180 G HN 0.409 nan 8.290 nan 0.000 0.549 1181 V N 1.054 120.961 119.914 -0.011 0.000 1.262 1181 V HA -0.473 3.643 4.120 -0.006 0.000 0.113 1181 V C 2.443 178.528 176.094 -0.015 0.000 1.035 1181 V CA 3.658 65.950 62.300 -0.014 0.000 2.772 1181 V CB -1.387 30.428 31.823 -0.012 0.000 0.671 1181 V HN 0.510 nan 8.190 nan 0.000 0.365 1182 M N 0.616 120.209 119.600 -0.012 0.000 2.099 1182 M HA -0.100 4.377 4.480 -0.006 0.000 0.262 1182 M C 1.654 177.946 176.300 -0.012 0.000 1.067 1182 M CA 2.400 57.693 55.300 -0.012 0.000 1.124 1182 M CB -0.915 31.681 32.600 -0.008 0.000 1.353 1182 M HN 0.578 nan 8.290 nan 0.000 0.410 1183 D N -0.559 119.836 120.400 -0.009 0.000 2.309 1183 D HA -0.090 4.547 4.640 -0.006 0.000 0.212 1183 D C 1.799 178.093 176.300 -0.011 0.000 0.968 1183 D CA 1.314 55.309 54.000 -0.008 0.000 0.882 1183 D CB -0.121 40.675 40.800 -0.005 0.000 0.918 1183 D HN 0.410 nan 8.370 nan 0.000 0.503 1184 S N -0.093 115.598 115.700 -0.015 0.000 2.439 1184 S HA 0.092 4.559 4.470 -0.006 0.000 0.224 1184 S C 2.159 176.742 174.600 -0.029 0.000 1.029 1184 S CA 0.003 58.191 58.200 -0.019 0.000 0.946 1184 S CB 0.279 63.467 63.200 -0.019 0.000 0.797 1184 S HN 0.212 nan 8.310 nan 0.000 0.504 1185 L N 1.154 122.358 121.223 -0.032 0.000 2.072 1185 L HA 0.055 4.392 4.340 -0.006 0.000 0.205 1185 L C 2.107 178.951 176.870 -0.044 0.000 1.079 1185 L CA 0.923 55.735 54.840 -0.047 0.000 0.752 1185 L CB -0.490 41.543 42.059 -0.044 0.000 0.906 1185 L HN 0.268 nan 8.230 nan 0.000 0.436 1186 L N -0.549 120.660 121.223 -0.023 0.000 2.201 1186 L HA -0.162 4.174 4.340 -0.006 0.000 0.212 1186 L C 2.676 179.544 176.870 -0.004 0.000 1.105 1186 L CA 0.817 55.651 54.840 -0.009 0.000 0.775 1186 L CB -0.453 41.606 42.059 -0.001 0.000 0.913 1186 L HN 0.324 nan 8.230 nan 0.000 0.440 1187 E N 0.575 120.769 120.200 -0.010 0.000 2.072 1187 E HA -0.156 4.190 4.350 -0.006 0.000 0.190 1187 E C 2.173 178.768 176.600 -0.008 0.000 0.982 1187 E CA 1.305 57.702 56.400 -0.004 0.000 0.803 1187 E CB 0.160 29.856 29.700 -0.006 0.000 0.755 1187 E HN 0.405 nan 8.360 nan 0.000 0.453 1188 A N 0.742 123.543 122.820 -0.032 0.000 1.968 1188 A HA -0.114 4.203 4.320 -0.006 0.000 0.217 1188 A C 2.124 179.665 177.584 -0.071 0.000 1.169 1188 A CA 0.676 52.680 52.037 -0.055 0.000 0.638 1188 A CB -0.341 18.606 19.000 -0.089 0.000 0.812 1188 A HN 0.203 nan 8.150 nan 0.000 0.446 1189 L N -0.174 121.008 121.223 -0.067 0.000 2.017 1189 L HA -0.198 4.138 4.340 -0.006 0.000 0.208 1189 L C 2.612 179.568 176.870 0.144 0.000 1.073 1189 L CA 2.174 57.021 54.840 0.012 0.000 0.745 1189 L CB -1.190 40.889 42.059 0.033 0.000 0.894 1189 L HN 0.568 nan 8.230 nan 0.000 0.432 1190 Q N -0.830 119.017 119.800 0.079 0.000 2.050 1190 Q HA -0.183 4.154 4.340 -0.006 0.000 0.202 1190 Q C 2.212 178.258 176.000 0.077 0.000 0.980 1190 Q CA 2.201 58.049 55.803 0.075 0.000 0.840 1190 Q CB 0.078 28.841 28.738 0.042 0.000 0.898 1190 Q HN 0.642 nan 8.270 nan 0.000 0.424 1191 S N -1.868 113.868 115.700 0.060 0.000 2.489 1191 S HA 0.100 4.566 4.470 -0.006 0.000 0.228 1191 S C 1.340 175.990 174.600 0.083 0.000 0.995 1191 S CA 0.836 59.068 58.200 0.054 0.000 0.934 1191 S CB 0.475 63.693 63.200 0.030 0.000 0.771 1191 S HN 0.636 nan 8.310 nan 0.000 0.522 1192 G N 0.424 109.304 108.800 0.134 0.000 2.159 1192 G HA2 -0.143 3.814 3.960 -0.006 0.000 0.227 1192 G HA3 -0.143 3.814 3.960 -0.006 0.000 0.227 1192 G C 0.868 175.854 174.900 0.143 0.000 0.986 1192 G CA 0.076 45.318 45.100 0.237 0.000 0.651 1192 G HN 1.155 nan 8.290 nan 0.000 0.523 1193 A N 0.088 122.927 122.820 0.031 0.000 2.067 1193 A HA 0.524 4.840 4.320 -0.006 0.000 0.219 1193 A C 2.627 180.150 177.584 -0.101 0.000 1.158 1193 A CA 2.140 54.165 52.037 -0.020 0.000 0.661 1193 A CB -0.461 18.524 19.000 -0.026 0.000 0.801 1193 A HN 1.726 nan 8.150 nan 0.000 0.452 1194 A N -1.012 121.653 122.820 -0.259 0.000 2.016 1194 A HA 0.241 4.557 4.320 -0.006 0.000 0.217 1194 A C 0.777 178.068 177.584 -0.488 0.000 1.162 1194 A CA 0.390 52.147 52.037 -0.467 0.000 0.662 1194 A CB -0.424 18.134 19.000 -0.737 0.000 0.812 1194 A HN 0.451 nan 8.150 nan 0.000 0.450 1195 F N 1.464 121.413 119.950 -0.001 0.000 2.753 1195 F HA 0.322 4.845 4.527 -0.006 0.000 0.314 1195 F C 0.547 176.346 175.800 -0.001 0.000 1.215 1195 F CA -0.902 57.097 58.000 -0.001 0.000 1.243 1195 F CB 0.202 39.201 39.000 -0.001 0.000 1.400 1195 F HN -0.089 nan 8.300 nan 0.000 0.548 1196 R N 0.920 121.475 120.500 0.091 0.000 2.734 1196 R HA 0.189 4.526 4.340 -0.006 0.000 0.266 1196 R C 1.197 177.539 176.300 0.070 0.000 1.044 1196 R CA -0.070 56.068 56.100 0.064 0.000 1.128 1196 R CB 0.647 30.961 30.300 0.023 0.000 1.010 1196 R HN 0.505 nan 8.270 nan 0.000 0.461 1197 R N 1.341 121.872 120.500 0.052 0.000 0.930 1197 R HA -0.009 4.328 4.340 -0.006 0.000 0.070 1197 R C 0.141 176.460 176.300 0.032 0.000 0.839 1197 R CA -0.098 56.028 56.100 0.044 0.000 2.097 1197 R CB -0.197 30.123 30.300 0.033 0.000 0.677 1197 R HN 0.382 nan 8.270 nan 0.000 0.749 1198 K N 0.000 120.413 120.400 0.022 0.000 2.780 1198 K HA 0.000 4.316 4.320 -0.006 0.000 0.191 1198 K CA 0.000 56.297 56.287 0.016 0.000 0.838 1198 K CB 0.000 32.507 32.500 0.012 0.000 1.064 1198 K HN 0.000 nan 8.250 nan 0.000 0.543