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 1kp8_1_G DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND AGVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTVAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 1.355 124.175 122.820 -0.000 0.000 2.555 3 A HA 0.497 4.817 4.320 0.000 0.000 0.233 3 A C 0.226 177.811 177.584 0.002 0.000 1.060 3 A CA 0.550 52.590 52.037 0.006 0.000 0.759 3 A CB -0.082 18.924 19.000 0.011 0.000 0.995 3 A HN 0.633 nan 8.150 nan 0.000 0.506 4 K N 1.120 121.527 120.400 0.012 0.000 2.281 4 K HA 0.442 4.762 4.320 0.000 0.000 0.242 4 K C -1.117 175.509 176.600 0.043 0.000 0.971 4 K CA -0.726 55.567 56.287 0.009 0.000 0.834 4 K CB 1.653 34.157 32.500 0.007 0.000 1.181 4 K HN 0.754 nan 8.250 nan 0.000 0.435 5 D N 0.936 121.372 120.400 0.059 0.000 2.192 5 D HA 0.393 5.033 4.640 0.000 0.000 0.246 5 D C -1.237 175.213 176.300 0.249 0.000 1.042 5 D CA -0.582 53.521 54.000 0.172 0.000 0.847 5 D CB 1.411 42.359 40.800 0.247 0.000 1.186 5 D HN 0.048 nan 8.370 nan 0.000 0.461 6 V N 4.138 124.173 119.914 0.202 0.000 2.483 6 V HA 0.414 4.534 4.120 0.000 0.000 0.297 6 V C -0.017 176.043 176.094 -0.057 0.000 1.027 6 V CA -0.798 61.545 62.300 0.073 0.000 0.855 6 V CB 1.811 33.642 31.823 0.013 0.000 0.995 6 V HN 0.399 nan 8.190 nan 0.000 0.424 7 K N 3.778 124.031 120.400 -0.245 0.000 2.259 7 K HA 0.785 5.106 4.320 0.000 0.000 0.249 7 K C -1.507 174.819 176.600 -0.457 0.000 0.942 7 K CA -0.488 55.592 56.287 -0.345 0.000 0.816 7 K CB 2.451 34.542 32.500 -0.681 0.000 1.155 7 K HN 0.451 nan 8.250 nan 0.000 0.428 8 F N -0.257 119.639 119.950 -0.090 0.000 2.598 8 F HA 0.398 4.925 4.527 0.000 0.000 0.327 8 F C 1.366 177.132 175.800 -0.057 0.000 1.057 8 F CA -0.133 57.837 58.000 -0.050 0.000 0.957 8 F CB 1.458 40.439 39.000 -0.031 0.000 1.278 8 F HN 0.802 nan 8.300 nan 0.000 0.484 9 G N 1.542 110.445 108.800 0.172 0.000 2.672 9 G HA2 -0.440 3.520 3.960 0.000 0.000 0.356 9 G HA3 -0.440 3.520 3.960 0.000 0.000 0.356 9 G C 1.302 176.219 174.900 0.029 0.000 1.312 9 G CA 1.030 46.179 45.100 0.081 0.000 0.980 9 G HN 0.712 nan 8.290 nan 0.000 0.540 10 N N 0.829 119.540 118.700 0.019 0.000 2.069 10 N HA -0.164 4.576 4.740 0.000 0.000 0.196 10 N C 1.822 177.317 175.510 -0.025 0.000 1.024 10 N CA 2.139 55.188 53.050 -0.002 0.000 0.869 10 N CB -0.491 37.995 38.487 -0.002 0.000 1.035 10 N HN 0.543 nan 8.380 nan 0.000 0.434 11 D N 0.397 120.776 120.400 -0.035 0.000 2.133 11 D HA -0.114 4.527 4.640 0.000 0.000 0.195 11 D C 1.801 178.011 176.300 -0.150 0.000 0.997 11 D CA 1.304 55.250 54.000 -0.089 0.000 0.840 11 D CB -0.381 40.360 40.800 -0.097 0.000 0.947 11 D HN 0.344 nan 8.370 nan 0.000 0.452 12 A N 0.483 123.221 122.820 -0.138 0.000 1.897 12 A HA 0.061 4.382 4.320 0.000 0.000 0.215 12 A C 2.388 179.934 177.584 -0.063 0.000 1.181 12 A CA 1.915 53.861 52.037 -0.152 0.000 0.620 12 A CB -1.057 17.876 19.000 -0.112 0.000 0.821 12 A HN 0.293 nan 8.150 nan 0.000 0.443 13 G N 0.115 108.894 108.800 -0.034 0.000 2.446 13 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 13 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 13 G C 1.665 176.559 174.900 -0.010 0.000 1.168 13 G CA 2.242 47.335 45.100 -0.011 0.000 0.771 13 G HN 1.052 nan 8.290 nan 0.000 0.551 14 V N -1.235 118.667 119.914 -0.020 0.000 2.427 14 V HA -0.047 4.073 4.120 0.000 0.000 0.248 14 V C 2.516 178.606 176.094 -0.005 0.000 1.051 14 V CA 2.129 64.421 62.300 -0.013 0.000 1.048 14 V CB -0.483 31.329 31.823 -0.019 0.000 0.666 14 V HN 0.092 nan 8.190 nan 0.000 0.456 15 K N 0.087 120.478 120.400 -0.015 0.000 2.026 15 K HA -0.040 4.280 4.320 0.000 0.000 0.208 15 K C 2.256 178.886 176.600 0.050 0.000 1.048 15 K CA 2.191 58.492 56.287 0.024 0.000 0.929 15 K CB -0.594 31.922 32.500 0.027 0.000 0.713 15 K HN 0.529 nan 8.250 nan 0.000 0.439 16 M N 0.297 119.922 119.600 0.042 0.000 2.086 16 M HA -0.193 4.287 4.480 0.000 0.000 0.261 16 M C 2.244 178.561 176.300 0.028 0.000 1.067 16 M CA 1.187 56.513 55.300 0.043 0.000 1.116 16 M CB -0.371 32.250 32.600 0.035 0.000 1.348 16 M HN 0.034 nan 8.290 nan 0.000 0.407 17 L N 0.555 121.789 121.223 0.019 0.000 2.042 17 L HA -0.219 4.122 4.340 0.000 0.000 0.210 17 L C 2.452 179.331 176.870 0.015 0.000 1.076 17 L CA 1.946 56.795 54.840 0.014 0.000 0.749 17 L CB -0.723 41.342 42.059 0.009 0.000 0.893 17 L HN 0.159 nan 8.230 nan 0.000 0.432 18 R N -0.045 120.465 120.500 0.017 0.000 2.081 18 R HA -0.050 4.290 4.340 0.000 0.000 0.235 18 R C 2.208 178.519 176.300 0.019 0.000 1.131 18 R CA 1.780 57.890 56.100 0.017 0.000 0.960 18 R CB -1.432 28.880 30.300 0.020 0.000 0.856 18 R HN 0.437 nan 8.270 nan 0.000 0.436 19 G N -0.005 108.810 108.800 0.026 0.000 2.418 19 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 19 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 19 G C 1.465 176.374 174.900 0.015 0.000 1.158 19 G CA 1.181 46.295 45.100 0.023 0.000 0.771 19 G HN 0.381 nan 8.290 nan 0.000 0.545 20 V N -0.113 119.810 119.914 0.015 0.000 2.548 20 V HA -0.078 4.042 4.120 0.000 0.000 0.249 20 V C 2.209 178.308 176.094 0.009 0.000 1.055 20 V CA 2.172 64.479 62.300 0.011 0.000 1.065 20 V CB -0.528 31.302 31.823 0.013 0.000 0.681 20 V HN 0.190 nan 8.190 nan 0.000 0.462 21 N N 0.923 119.629 118.700 0.009 0.000 2.166 21 N HA -0.085 4.655 4.740 0.000 0.000 0.186 21 N C 1.795 177.308 175.510 0.005 0.000 1.019 21 N CA 1.791 54.845 53.050 0.007 0.000 0.856 21 N CB -0.506 37.985 38.487 0.007 0.000 0.993 21 N HN 0.511 nan 8.380 nan 0.000 0.426 22 V N 1.367 121.284 119.914 0.005 0.000 2.307 22 V HA -0.162 3.958 4.120 0.000 0.000 0.245 22 V C 2.375 178.469 176.094 0.000 0.000 1.045 22 V CA 1.036 63.337 62.300 0.002 0.000 1.024 22 V CB -0.545 31.280 31.823 0.003 0.000 0.651 22 V HN 0.197 nan 8.190 nan 0.000 0.449 23 L N 0.888 122.112 121.223 0.000 0.000 1.994 23 L HA -0.084 4.256 4.340 0.000 0.000 0.208 23 L C 2.478 179.347 176.870 -0.002 0.000 1.071 23 L CA 2.458 57.296 54.840 -0.002 0.000 0.745 23 L CB -0.837 41.221 42.059 -0.002 0.000 0.892 23 L HN 0.197 nan 8.230 nan 0.000 0.431 24 A N -0.621 122.200 122.820 0.001 0.000 1.908 24 A HA -0.240 4.080 4.320 0.000 0.000 0.218 24 A C 1.984 179.568 177.584 0.001 0.000 1.181 24 A CA 2.021 54.059 52.037 0.002 0.000 0.627 24 A CB -0.962 18.041 19.000 0.005 0.000 0.818 24 A HN 0.593 nan 8.150 nan 0.000 0.445 25 D N -0.012 120.388 120.400 0.001 0.000 2.144 25 D HA -0.023 4.617 4.640 0.000 0.000 0.199 25 D C 2.210 178.509 176.300 -0.002 0.000 0.984 25 D CA 1.474 55.474 54.000 -0.000 0.000 0.834 25 D CB -0.434 40.366 40.800 0.000 0.000 0.955 25 D HN 0.433 nan 8.370 nan 0.000 0.465 26 A N 0.459 123.277 122.820 -0.003 0.000 1.898 26 A HA -0.104 4.216 4.320 0.000 0.000 0.216 26 A C 2.499 180.079 177.584 -0.006 0.000 1.181 26 A CA 1.055 53.089 52.037 -0.005 0.000 0.620 26 A CB -0.622 18.374 19.000 -0.007 0.000 0.819 26 A HN 0.142 nan 8.150 nan 0.000 0.442 27 V N 1.333 121.244 119.914 -0.005 0.000 2.323 27 V HA -0.238 3.882 4.120 0.000 0.000 0.244 27 V C 2.534 178.625 176.094 -0.004 0.000 1.041 27 V CA 2.197 64.493 62.300 -0.006 0.000 1.025 27 V CB -0.664 31.155 31.823 -0.006 0.000 0.656 27 V HN 0.841 nan 8.190 nan 0.000 0.451 28 K N 1.440 121.839 120.400 -0.002 0.000 2.360 28 K HA -0.108 4.212 4.320 0.000 0.000 0.201 28 K C 1.789 178.389 176.600 -0.001 0.000 1.046 28 K CA 1.718 58.005 56.287 -0.001 0.000 0.945 28 K CB -0.673 31.828 32.500 0.001 0.000 0.750 28 K HN 0.506 nan 8.250 nan 0.000 0.464 29 V N -0.071 119.842 119.914 -0.002 0.000 2.913 29 V HA -0.122 3.998 4.120 0.000 0.000 0.260 29 V C 2.097 178.190 176.094 -0.003 0.000 1.098 29 V CA 1.679 63.977 62.300 -0.003 0.000 1.121 29 V CB -1.007 30.814 31.823 -0.003 0.000 0.714 29 V HN 0.531 nan 8.190 nan 0.000 0.487 30 T N -2.127 112.425 114.554 -0.004 0.000 3.107 30 T HA 0.261 4.611 4.350 0.000 0.000 0.249 30 T C 0.542 175.239 174.700 -0.005 0.000 1.096 30 T CA -0.075 62.022 62.100 -0.006 0.000 1.012 30 T CB -0.233 68.630 68.868 -0.008 0.000 0.977 30 T HN 0.389 nan 8.240 nan 0.000 0.527 31 L N 2.693 123.915 121.223 -0.003 0.000 2.410 31 L HA 0.541 4.881 4.340 0.000 0.000 0.273 31 L C 0.804 177.674 176.870 -0.000 0.000 1.144 31 L CA 1.531 56.371 54.840 -0.001 0.000 0.863 31 L CB -0.535 41.525 42.059 0.002 0.000 1.140 31 L HN 0.669 nan 8.230 nan 0.000 0.463 32 G N 4.477 113.276 108.800 -0.002 0.000 2.796 32 G HA2 -0.184 3.776 3.960 0.000 0.000 0.571 32 G HA3 -0.184 3.776 3.960 0.000 0.000 0.571 32 G C -1.766 173.129 174.900 -0.008 0.000 1.370 32 G CA -0.300 44.798 45.100 -0.003 0.000 0.856 32 G HN 0.627 nan 8.290 nan 0.000 0.538 33 P HA -0.045 nan 4.420 nan 0.000 0.219 33 P C 0.938 178.229 177.300 -0.016 0.000 1.146 33 P CA 1.371 64.459 63.100 -0.020 0.000 0.808 33 P CB 0.086 31.765 31.700 -0.034 0.000 0.779 34 K N 0.292 120.687 120.400 -0.008 0.000 2.570 34 K HA 0.256 4.576 4.320 0.000 0.000 0.210 34 K C 1.025 177.624 176.600 -0.001 0.000 1.048 34 K CA -0.227 56.058 56.287 -0.003 0.000 1.167 34 K CB 0.065 32.568 32.500 0.005 0.000 0.892 34 K HN 0.067 nan 8.250 nan 0.000 0.480 35 G N 1.544 110.342 108.800 -0.004 0.000 2.484 35 G HA2 0.044 4.004 3.960 0.000 0.000 0.235 35 G HA3 0.044 4.004 3.960 0.000 0.000 0.235 35 G C 0.148 175.046 174.900 -0.004 0.000 1.282 35 G CA -0.333 44.765 45.100 -0.004 0.000 0.857 35 G HN 0.078 nan 8.290 nan 0.000 0.571 36 R N 0.926 121.423 120.500 -0.004 0.000 2.553 36 R HA 0.225 4.565 4.340 0.000 0.000 0.263 36 R C 0.108 176.405 176.300 -0.006 0.000 1.066 36 R CA -0.817 55.280 56.100 -0.004 0.000 1.135 36 R CB 0.477 30.775 30.300 -0.003 0.000 1.148 36 R HN 0.647 nan 8.270 nan 0.000 0.558 37 N N -0.849 117.848 118.700 -0.006 0.000 2.513 37 N HA 0.298 5.038 4.740 0.000 0.000 0.274 37 N C -0.914 174.592 175.510 -0.007 0.000 1.189 37 N CA -0.342 52.704 53.050 -0.007 0.000 0.975 37 N CB 1.144 39.627 38.487 -0.006 0.000 1.157 37 N HN 0.083 nan 8.380 nan 0.000 0.465 38 V N 1.873 121.783 119.914 -0.008 0.000 2.588 38 V HA 0.329 4.449 4.120 0.000 0.000 0.304 38 V C -0.467 175.622 176.094 -0.009 0.000 1.042 38 V CA -0.801 61.493 62.300 -0.008 0.000 0.877 38 V CB 1.847 33.665 31.823 -0.010 0.000 0.996 38 V HN 0.325 nan 8.190 nan 0.000 0.425 39 V N 6.410 126.319 119.914 -0.009 0.000 2.407 39 V HA 0.472 4.593 4.120 0.000 0.000 0.278 39 V C -0.207 175.880 176.094 -0.012 0.000 1.037 39 V CA -0.425 61.869 62.300 -0.010 0.000 0.900 39 V CB 1.394 33.212 31.823 -0.008 0.000 0.983 39 V HN 0.619 nan 8.190 nan 0.000 0.459 40 L N 3.839 125.054 121.223 -0.013 0.000 2.298 40 L HA 0.496 4.837 4.340 0.000 0.000 0.284 40 L C -0.026 176.833 176.870 -0.020 0.000 1.013 40 L CA -0.609 54.221 54.840 -0.017 0.000 0.824 40 L CB 1.530 43.578 42.059 -0.017 0.000 1.221 40 L HN 0.518 nan 8.230 nan 0.000 0.418 41 D N 3.416 123.801 120.400 -0.025 0.000 2.423 41 D HA 0.155 4.795 4.640 0.000 0.000 0.238 41 D C -0.411 175.864 176.300 -0.042 0.000 1.142 41 D CA 0.518 54.498 54.000 -0.033 0.000 0.884 41 D CB 0.945 41.721 40.800 -0.039 0.000 1.199 41 D HN 0.366 nan 8.370 nan 0.000 0.438 42 K N 0.152 120.523 120.400 -0.048 0.000 2.385 42 K HA 0.204 4.524 4.320 0.000 0.000 0.248 42 K C 1.036 177.560 176.600 -0.127 0.000 0.955 42 K CA -0.584 55.667 56.287 -0.061 0.000 0.816 42 K CB 1.698 34.188 32.500 -0.017 0.000 1.250 42 K HN 0.375 nan 8.250 nan 0.000 0.434 43 S N 0.996 116.557 115.700 -0.233 0.000 2.423 43 S HA -0.011 4.460 4.470 0.000 0.000 0.231 43 S C 0.299 174.480 174.600 -0.698 0.000 1.014 43 S CA 0.732 58.619 58.200 -0.522 0.000 0.965 43 S CB -0.166 62.590 63.200 -0.739 0.000 0.785 43 S HN 0.376 nan 8.310 nan 0.000 0.495 44 F N 1.046 120.993 119.950 -0.006 0.000 2.561 44 F HA 0.688 5.216 4.527 0.000 0.000 0.313 44 F C 0.872 176.668 175.800 -0.005 0.000 1.126 44 F CA -0.278 57.718 58.000 -0.005 0.000 0.918 44 F CB 1.553 40.550 39.000 -0.005 0.000 1.199 44 F HN 0.395 nan 8.300 nan 0.000 0.444 45 G N 1.123 110.036 108.800 0.190 0.000 2.632 45 G HA2 0.287 4.247 3.960 0.000 0.000 0.224 45 G HA3 0.287 4.247 3.960 0.000 0.000 0.224 45 G C -0.632 174.302 174.900 0.057 0.000 1.341 45 G CA -0.565 44.595 45.100 0.101 0.000 0.880 45 G HN 1.248 nan 8.290 nan 0.000 0.566 46 A N 0.874 123.718 122.820 0.039 0.000 2.407 46 A HA 0.710 5.030 4.320 0.000 0.000 0.248 46 A C -1.251 176.342 177.584 0.015 0.000 1.082 46 A CA 0.029 52.079 52.037 0.022 0.000 0.785 46 A CB -0.227 18.783 19.000 0.017 0.000 1.020 46 A HN 0.732 nan 8.150 nan 0.000 0.489 47 P HA 0.248 nan 4.420 nan 0.000 0.272 47 P C -0.232 177.068 177.300 -0.001 0.000 1.240 47 P CA -0.054 63.046 63.100 -0.002 0.000 0.791 47 P CB 0.377 32.073 31.700 -0.006 0.000 0.978 48 T N 1.763 116.314 114.554 -0.005 0.000 2.817 48 T HA 0.420 4.770 4.350 0.000 0.000 0.293 48 T C 0.272 174.968 174.700 -0.007 0.000 0.964 48 T CA -0.083 62.014 62.100 -0.005 0.000 1.085 48 T CB -0.171 68.693 68.868 -0.007 0.000 0.921 48 T HN 0.173 nan 8.240 nan 0.000 0.502 49 I N 3.059 123.625 120.570 -0.006 0.000 2.354 49 I HA 0.414 4.584 4.170 0.000 0.000 0.286 49 I C 0.444 176.556 176.117 -0.008 0.000 1.007 49 I CA -0.475 60.821 61.300 -0.006 0.000 1.167 49 I CB 1.585 39.582 38.000 -0.005 0.000 1.320 49 I HN 0.520 nan 8.210 nan 0.000 0.458 50 T N 4.477 119.025 114.554 -0.009 0.000 2.883 50 T HA 0.446 4.796 4.350 0.000 0.000 0.296 50 T C 0.049 174.742 174.700 -0.011 0.000 1.117 50 T CA -0.529 61.565 62.100 -0.011 0.000 1.006 50 T CB 1.841 70.701 68.868 -0.013 0.000 1.191 50 T HN 0.646 nan 8.240 nan 0.000 0.508 51 K N 1.185 121.578 120.400 -0.012 0.000 2.501 51 K HA 0.208 4.528 4.320 0.000 0.000 0.204 51 K C -0.844 175.748 176.600 -0.014 0.000 1.067 51 K CA -0.219 56.060 56.287 -0.012 0.000 1.060 51 K CB 0.589 33.082 32.500 -0.012 0.000 0.873 51 K HN 0.495 nan 8.250 nan 0.000 0.540 52 D N -0.104 120.286 120.400 -0.016 0.000 2.359 52 D HA 0.146 4.787 4.640 0.000 0.000 0.230 52 D C 1.252 177.540 176.300 -0.019 0.000 1.118 52 D CA -0.230 53.758 54.000 -0.020 0.000 0.844 52 D CB 1.339 42.125 40.800 -0.023 0.000 1.059 52 D HN 0.149 nan 8.370 nan 0.000 0.493 53 G N 2.450 111.239 108.800 -0.018 0.000 2.469 53 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 53 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 53 G C 1.468 176.356 174.900 -0.020 0.000 1.150 53 G CA 0.918 46.008 45.100 -0.017 0.000 0.763 53 G HN 0.488 nan 8.290 nan 0.000 0.561 54 V N 0.937 120.837 119.914 -0.024 0.000 2.343 54 V HA -0.179 3.941 4.120 0.000 0.000 0.247 54 V C 3.084 179.163 176.094 -0.025 0.000 1.051 54 V CA 2.169 64.453 62.300 -0.027 0.000 1.036 54 V CB -0.569 31.234 31.823 -0.032 0.000 0.654 54 V HN 0.369 nan 8.190 nan 0.000 0.451 55 S N -0.041 115.645 115.700 -0.024 0.000 2.368 55 S HA -0.165 4.305 4.470 0.000 0.000 0.225 55 S C 2.005 176.592 174.600 -0.020 0.000 1.030 55 S CA 1.557 59.744 58.200 -0.022 0.000 0.999 55 S CB -0.217 62.971 63.200 -0.020 0.000 0.844 55 S HN 0.405 nan 8.310 nan 0.000 0.459 56 V N 1.985 121.887 119.914 -0.019 0.000 2.270 56 V HA -0.163 3.957 4.120 0.000 0.000 0.245 56 V C 2.687 178.771 176.094 -0.018 0.000 1.043 56 V CA 1.643 63.933 62.300 -0.017 0.000 1.014 56 V CB -1.307 30.508 31.823 -0.014 0.000 0.645 56 V HN 0.532 nan 8.190 nan 0.000 0.447 57 A N -0.027 122.782 122.820 -0.019 0.000 1.917 57 A HA -0.270 4.050 4.320 0.000 0.000 0.219 57 A C 2.365 179.935 177.584 -0.023 0.000 1.182 57 A CA 2.014 54.040 52.037 -0.020 0.000 0.633 57 A CB -0.590 18.397 19.000 -0.021 0.000 0.819 57 A HN 0.498 nan 8.150 nan 0.000 0.448 58 R N -0.587 119.898 120.500 -0.025 0.000 2.127 58 R HA -0.124 4.216 4.340 0.000 0.000 0.238 58 R C 1.667 177.950 176.300 -0.027 0.000 1.134 58 R CA 1.367 57.450 56.100 -0.028 0.000 0.975 58 R CB -0.224 30.059 30.300 -0.029 0.000 0.865 58 R HN 0.523 nan 8.270 nan 0.000 0.447 59 E N 0.323 120.508 120.200 -0.025 0.000 2.285 59 E HA -0.014 4.336 4.350 0.000 0.000 0.194 59 E C 0.547 177.133 176.600 -0.024 0.000 0.997 59 E CA 0.319 56.704 56.400 -0.025 0.000 0.845 59 E CB 0.132 29.818 29.700 -0.024 0.000 0.782 59 E HN 0.178 nan 8.360 nan 0.000 0.491 60 I N 2.204 122.761 120.570 -0.021 0.000 2.505 60 I HA 0.101 4.271 4.170 0.000 0.000 0.287 60 I C 0.411 176.516 176.117 -0.020 0.000 1.104 60 I CA 0.357 61.646 61.300 -0.019 0.000 1.387 60 I CB -0.195 37.797 38.000 -0.015 0.000 1.404 60 I HN -0.041 nan 8.210 nan 0.000 0.528 61 E N 7.008 127.196 120.200 -0.020 0.000 2.304 61 E HA 0.530 4.881 4.350 0.000 0.000 0.277 61 E C -1.690 174.898 176.600 -0.019 0.000 0.898 61 E CA -0.607 55.780 56.400 -0.022 0.000 0.764 61 E CB 2.078 31.762 29.700 -0.026 0.000 1.216 61 E HN 0.448 nan 8.360 nan 0.000 0.419 62 L N 3.173 124.386 121.223 -0.017 0.000 2.334 62 L HA 0.403 4.743 4.340 0.000 0.000 0.270 62 L C 1.457 178.319 176.870 -0.015 0.000 1.018 62 L CA -0.535 54.298 54.840 -0.011 0.000 0.811 62 L CB 1.547 43.605 42.059 -0.002 0.000 1.271 62 L HN 0.748 nan 8.230 nan 0.000 0.443 63 E N 0.611 120.806 120.200 -0.009 0.000 2.028 63 E HA -0.169 4.181 4.350 0.000 0.000 0.191 63 E C 0.498 177.094 176.600 -0.007 0.000 0.988 63 E CA 0.575 56.969 56.400 -0.010 0.000 0.799 63 E CB 0.248 29.946 29.700 -0.004 0.000 0.755 63 E HN 0.661 nan 8.360 nan 0.000 0.447 64 D N 0.592 121.000 120.400 0.012 0.000 2.434 64 D HA -0.071 4.569 4.640 0.000 0.000 0.252 64 D C 0.679 176.980 176.300 0.002 0.000 1.185 64 D CA 0.081 54.102 54.000 0.036 0.000 0.886 64 D CB 0.947 41.792 40.800 0.076 0.000 1.148 64 D HN 0.038 nan 8.370 nan 0.000 0.483 65 K N 3.623 123.984 120.400 -0.066 0.000 2.103 65 K HA -0.165 4.155 4.320 0.000 0.000 0.207 65 K C 1.919 178.361 176.600 -0.263 0.000 1.048 65 K CA 1.188 57.344 56.287 -0.218 0.000 0.930 65 K CB -0.320 31.950 32.500 -0.384 0.000 0.716 65 K HN 0.495 nan 8.250 nan 0.000 0.444 66 F N 1.668 121.605 119.950 -0.020 0.000 2.128 66 F HA -0.045 4.482 4.527 0.000 0.000 0.295 66 F C 2.431 178.219 175.800 -0.019 0.000 1.100 66 F CA 0.983 58.969 58.000 -0.024 0.000 1.260 66 F CB -0.454 38.532 39.000 -0.024 0.000 1.009 66 F HN 0.083 nan 8.300 nan 0.000 0.476 67 E N 0.067 120.367 120.200 0.166 0.000 2.085 67 E HA -0.269 4.081 4.350 0.000 0.000 0.194 67 E C 1.849 178.473 176.600 0.042 0.000 0.994 67 E CA 1.391 57.843 56.400 0.086 0.000 0.801 67 E CB -0.346 29.392 29.700 0.064 0.000 0.743 67 E HN 0.292 nan 8.360 nan 0.000 0.453 68 N N 0.553 119.262 118.700 0.014 0.000 2.120 68 N HA -0.158 4.582 4.740 0.000 0.000 0.188 68 N C 1.725 177.226 175.510 -0.015 0.000 1.024 68 N CA 1.288 54.331 53.050 -0.012 0.000 0.852 68 N CB 0.000 38.465 38.487 -0.037 0.000 1.003 68 N HN 0.083 nan 8.380 nan 0.000 0.424 69 M N -0.766 118.823 119.600 -0.018 0.000 2.108 69 M HA -0.056 4.424 4.480 0.000 0.000 0.261 69 M C 2.172 178.478 176.300 0.009 0.000 1.066 69 M CA 1.730 57.022 55.300 -0.014 0.000 1.107 69 M CB -0.603 31.989 32.600 -0.013 0.000 1.356 69 M HN 0.328 nan 8.290 nan 0.000 0.406 70 G N -0.218 108.600 108.800 0.029 0.000 2.422 70 G HA2 -0.144 3.816 3.960 0.000 0.000 0.218 70 G HA3 -0.144 3.816 3.960 0.000 0.000 0.218 70 G C 1.602 176.510 174.900 0.014 0.000 1.146 70 G CA 1.012 46.128 45.100 0.027 0.000 0.769 70 G HN 0.548 nan 8.290 nan 0.000 0.547 71 A N 0.066 122.892 122.820 0.009 0.000 1.873 71 A HA -0.034 4.287 4.320 0.000 0.000 0.215 71 A C 2.415 179.996 177.584 -0.005 0.000 1.186 71 A CA 1.858 53.896 52.037 0.001 0.000 0.616 71 A CB -0.331 18.668 19.000 -0.002 0.000 0.823 71 A HN 0.295 nan 8.150 nan 0.000 0.442 72 Q N -0.490 119.304 119.800 -0.010 0.000 2.170 72 Q HA -0.099 4.241 4.340 0.000 0.000 0.203 72 Q C 2.123 178.116 176.000 -0.012 0.000 0.976 72 Q CA 1.484 57.278 55.803 -0.016 0.000 0.858 72 Q CB -0.558 28.167 28.738 -0.022 0.000 0.907 72 Q HN 0.774 nan 8.270 nan 0.000 0.433 73 M N -0.443 119.154 119.600 -0.005 0.000 2.077 73 M HA -0.121 4.359 4.480 0.000 0.000 0.261 73 M C 2.256 178.557 176.300 0.002 0.000 1.070 73 M CA 1.194 56.494 55.300 0.000 0.000 1.125 73 M CB -0.462 32.143 32.600 0.008 0.000 1.339 73 M HN 0.071 nan 8.290 nan 0.000 0.409 74 V N 0.233 120.150 119.914 0.005 0.000 2.759 74 V HA -0.217 3.903 4.120 0.000 0.000 0.256 74 V C 2.034 178.126 176.094 -0.003 0.000 1.080 74 V CA 1.772 64.077 62.300 0.007 0.000 1.101 74 V CB -0.477 31.352 31.823 0.010 0.000 0.698 74 V HN 0.405 nan 8.190 nan 0.000 0.477 75 K N -0.302 120.091 120.400 -0.011 0.000 2.209 75 K HA -0.135 4.186 4.320 0.000 0.000 0.204 75 K C 2.090 178.670 176.600 -0.035 0.000 1.048 75 K CA 1.346 57.620 56.287 -0.021 0.000 0.940 75 K CB -0.047 32.440 32.500 -0.023 0.000 0.729 75 K HN 0.440 nan 8.250 nan 0.000 0.451 76 E N 0.147 120.327 120.200 -0.033 0.000 2.204 76 E HA -0.150 4.200 4.350 0.000 0.000 0.195 76 E C 1.909 178.460 176.600 -0.082 0.000 0.990 76 E CA 0.727 57.096 56.400 -0.052 0.000 0.821 76 E CB -0.064 29.617 29.700 -0.032 0.000 0.750 76 E HN 0.101 nan 8.360 nan 0.000 0.477 77 V N 1.523 121.412 119.914 -0.042 0.000 2.220 77 V HA -0.303 3.818 4.120 0.000 0.000 0.246 77 V C 2.478 178.523 176.094 -0.081 0.000 1.049 77 V CA 2.080 64.364 62.300 -0.027 0.000 1.003 77 V CB -0.963 30.879 31.823 0.032 0.000 0.634 77 V HN 0.280 nan 8.190 nan 0.000 0.444 78 A N 0.671 123.461 122.820 -0.051 0.000 1.892 78 A HA -0.271 4.049 4.320 0.000 0.000 0.218 78 A C 2.544 180.071 177.584 -0.094 0.000 1.188 78 A CA 2.931 54.936 52.037 -0.053 0.000 0.631 78 A CB -0.993 17.987 19.000 -0.033 0.000 0.822 78 A HN 0.729 nan 8.150 nan 0.000 0.447 79 S N 0.045 115.682 115.700 -0.106 0.000 2.356 79 S HA -0.211 4.259 4.470 0.000 0.000 0.223 79 S C 1.866 176.350 174.600 -0.193 0.000 1.032 79 S CA 1.568 59.698 58.200 -0.117 0.000 1.005 79 S CB -0.426 62.719 63.200 -0.091 0.000 0.867 79 S HN 0.624 nan 8.310 nan 0.000 0.449 80 K N 1.721 121.922 120.400 -0.331 0.000 2.097 80 K HA 0.129 4.449 4.320 0.000 0.000 0.205 80 K C 2.548 178.756 176.600 -0.653 0.000 1.050 80 K CA 1.104 57.028 56.287 -0.605 0.000 0.938 80 K CB -0.521 31.336 32.500 -1.072 0.000 0.718 80 K HN 0.491 nan 8.250 nan 0.000 0.442 81 A N 1.628 124.160 122.820 -0.480 0.000 1.969 81 A HA -0.205 4.115 4.320 0.000 0.000 0.218 81 A C 1.919 179.481 177.584 -0.036 0.000 1.169 81 A CA 1.780 53.758 52.037 -0.098 0.000 0.635 81 A CB -0.556 18.472 19.000 0.045 0.000 0.810 81 A HN 0.272 nan 8.150 nan 0.000 0.445 82 N N 0.399 119.052 118.700 -0.077 0.000 2.106 82 N HA -0.136 4.604 4.740 0.000 0.000 0.188 82 N C 1.159 176.658 175.510 -0.019 0.000 1.029 82 N CA 1.784 54.812 53.050 -0.037 0.000 0.848 82 N CB -0.267 38.189 38.487 -0.052 0.000 1.007 82 N HN 0.380 nan 8.380 nan 0.000 0.423 83 D N -0.185 120.180 120.400 -0.059 0.000 2.144 83 D HA -0.074 4.566 4.640 0.000 0.000 0.199 83 D C 1.641 177.944 176.300 0.005 0.000 0.984 83 D CA 1.226 55.205 54.000 -0.036 0.000 0.834 83 D CB -0.357 40.400 40.800 -0.071 0.000 0.955 83 D HN 0.430 nan 8.370 nan 0.000 0.465 84 A N 0.450 123.282 122.820 0.020 0.000 1.898 84 A HA 0.240 4.560 4.320 0.000 0.000 0.214 84 A C 2.058 179.698 177.584 0.093 0.000 1.183 84 A CA 1.735 53.826 52.037 0.091 0.000 0.622 84 A CB -0.034 19.102 19.000 0.227 0.000 0.824 84 A HN 0.233 nan 8.150 nan 0.000 0.444 85 A N -2.693 120.192 122.820 0.107 0.000 2.390 85 A HA 0.466 4.786 4.320 0.000 0.000 0.225 85 A C 1.614 179.333 177.584 0.225 0.000 1.232 85 A CA 1.073 53.186 52.037 0.127 0.000 0.964 85 A CB -0.350 18.719 19.000 0.114 0.000 1.064 85 A HN 1.845 nan 8.150 nan 0.000 0.525 86 G N -0.335 108.567 108.800 0.170 0.000 2.225 86 G HA2 -0.170 3.791 3.960 0.000 0.000 0.267 86 G HA3 -0.170 3.791 3.960 0.000 0.000 0.267 86 G C -0.187 174.700 174.900 -0.022 0.000 1.024 86 G CA 0.901 46.073 45.100 0.121 0.000 0.784 86 G HN 0.842 nan 8.290 nan 0.000 0.507 87 D N -2.996 117.423 120.400 0.031 0.000 2.755 87 D HA 0.551 5.192 4.640 0.000 0.000 0.277 87 D C 0.824 177.139 176.300 0.025 0.000 1.261 87 D CA 1.251 55.252 54.000 0.001 0.000 0.759 87 D CB 0.123 40.934 40.800 0.019 0.000 1.279 87 D HN 1.391 nan 8.370 nan 0.000 0.420 88 G N 0.223 109.031 108.800 0.014 0.000 2.160 88 G HA2 -0.298 3.662 3.960 0.000 0.000 0.251 88 G HA3 -0.298 3.662 3.960 0.000 0.000 0.251 88 G C 0.968 175.881 174.900 0.022 0.000 1.008 88 G CA 1.772 46.886 45.100 0.023 0.000 0.724 88 G HN 0.966 nan 8.290 nan 0.000 0.514 89 T N -3.573 110.985 114.554 0.006 0.000 2.904 89 T HA -0.044 4.306 4.350 0.000 0.000 0.267 89 T C 2.214 176.916 174.700 0.003 0.000 1.059 89 T CA 2.373 64.473 62.100 0.000 0.000 1.137 89 T CB -0.339 68.518 68.868 -0.018 0.000 0.879 89 T HN 0.287 nan 8.240 nan 0.000 0.467 90 T N 1.855 116.410 114.554 0.001 0.000 2.812 90 T HA -0.040 4.310 4.350 0.000 0.000 0.264 90 T C 2.215 176.921 174.700 0.009 0.000 1.042 90 T CA 1.670 63.771 62.100 0.002 0.000 1.140 90 T CB -0.823 68.043 68.868 -0.002 0.000 0.870 90 T HN 0.468 nan 8.240 nan 0.000 0.445 91 T N 2.080 116.642 114.554 0.014 0.000 2.746 91 T HA -0.029 4.321 4.350 0.000 0.000 0.267 91 T C 2.387 177.102 174.700 0.026 0.000 1.039 91 T CA 1.157 63.268 62.100 0.019 0.000 1.142 91 T CB -0.492 68.390 68.868 0.022 0.000 0.866 91 T HN 0.422 nan 8.240 nan 0.000 0.444 92 A N 1.137 123.978 122.820 0.034 0.000 1.933 92 A HA -0.112 4.208 4.320 0.000 0.000 0.218 92 A C 2.542 180.148 177.584 0.036 0.000 1.175 92 A CA 1.984 54.050 52.037 0.048 0.000 0.628 92 A CB -1.120 17.920 19.000 0.066 0.000 0.814 92 A HN 0.467 nan 8.150 nan 0.000 0.444 93 T N -0.455 114.113 114.554 0.023 0.000 2.777 93 T HA -0.107 4.243 4.350 0.000 0.000 0.266 93 T C 1.982 176.691 174.700 0.015 0.000 1.040 93 T CA 1.702 63.812 62.100 0.016 0.000 1.141 93 T CB -0.535 68.337 68.868 0.007 0.000 0.868 93 T HN 0.596 nan 8.240 nan 0.000 0.444 94 V N 0.578 120.501 119.914 0.014 0.000 2.548 94 V HA 0.026 4.146 4.120 0.000 0.000 0.249 94 V C 2.117 178.220 176.094 0.015 0.000 1.055 94 V CA 1.324 63.631 62.300 0.012 0.000 1.065 94 V CB -0.834 30.995 31.823 0.010 0.000 0.681 94 V HN 0.458 nan 8.190 nan 0.000 0.462 95 L N 0.602 121.837 121.223 0.020 0.000 2.056 95 L HA 0.010 4.350 4.340 0.000 0.000 0.207 95 L C 3.031 179.914 176.870 0.022 0.000 1.078 95 L CA 1.632 56.485 54.840 0.021 0.000 0.749 95 L CB -0.870 41.205 42.059 0.026 0.000 0.901 95 L HN 0.444 nan 8.230 nan 0.000 0.433 96 A N -0.462 122.374 122.820 0.027 0.000 1.877 96 A HA -0.293 4.027 4.320 0.000 0.000 0.216 96 A C 2.262 179.858 177.584 0.020 0.000 1.186 96 A CA 1.923 53.976 52.037 0.027 0.000 0.620 96 A CB -0.625 18.393 19.000 0.031 0.000 0.822 96 A HN 0.504 nan 8.150 nan 0.000 0.443 97 Q N -0.491 119.319 119.800 0.016 0.000 2.084 97 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 97 Q C 2.155 178.162 176.000 0.012 0.000 0.978 97 Q CA 1.679 57.490 55.803 0.013 0.000 0.844 97 Q CB -0.362 28.382 28.738 0.010 0.000 0.898 97 Q HN 0.583 nan 8.270 nan 0.000 0.426 98 A N 0.808 123.635 122.820 0.012 0.000 1.902 98 A HA -0.156 4.164 4.320 0.000 0.000 0.217 98 A C 1.986 179.577 177.584 0.011 0.000 1.181 98 A CA 1.406 53.449 52.037 0.010 0.000 0.623 98 A CB -0.601 18.405 19.000 0.010 0.000 0.818 98 A HN 0.493 nan 8.150 nan 0.000 0.443 99 I N -0.547 120.031 120.570 0.013 0.000 2.233 99 I HA -0.209 3.961 4.170 0.000 0.000 0.243 99 I C 2.292 178.416 176.117 0.012 0.000 1.093 99 I CA 1.142 62.450 61.300 0.012 0.000 1.380 99 I CB -0.346 37.662 38.000 0.014 0.000 1.067 99 I HN 0.278 nan 8.210 nan 0.000 0.413 100 I N 0.468 121.047 120.570 0.014 0.000 2.179 100 I HA -0.289 3.881 4.170 0.000 0.000 0.242 100 I C 2.591 178.715 176.117 0.011 0.000 1.088 100 I CA 1.600 62.908 61.300 0.013 0.000 1.357 100 I CB -0.638 37.371 38.000 0.015 0.000 1.051 100 I HN 0.237 nan 8.210 nan 0.000 0.409 101 T N 0.253 114.813 114.554 0.010 0.000 2.652 101 T HA -0.177 4.173 4.350 0.000 0.000 0.267 101 T C 1.821 176.525 174.700 0.007 0.000 1.039 101 T CA 1.403 63.508 62.100 0.008 0.000 1.153 101 T CB -0.185 68.688 68.868 0.007 0.000 0.863 101 T HN 0.302 nan 8.240 nan 0.000 0.428 102 E N 0.513 120.718 120.200 0.007 0.000 2.152 102 E HA 0.030 4.380 4.350 0.000 0.000 0.192 102 E C 2.539 179.143 176.600 0.007 0.000 0.983 102 E CA 0.845 57.249 56.400 0.006 0.000 0.818 102 E CB -0.745 28.958 29.700 0.006 0.000 0.758 102 E HN 0.564 nan 8.360 nan 0.000 0.467 103 G N 1.523 110.328 108.800 0.008 0.000 2.421 103 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 103 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 103 G C 1.730 176.635 174.900 0.008 0.000 1.171 103 G CA 0.430 45.535 45.100 0.008 0.000 0.775 103 G HN 0.168 nan 8.290 nan 0.000 0.543 104 L N -0.128 121.100 121.223 0.008 0.000 2.131 104 L HA -0.051 4.289 4.340 0.000 0.000 0.210 104 L C 2.950 179.824 176.870 0.006 0.000 1.092 104 L CA 1.100 55.945 54.840 0.008 0.000 0.759 104 L CB -0.307 41.757 42.059 0.008 0.000 0.903 104 L HN 0.200 nan 8.230 nan 0.000 0.435 105 K N 0.017 120.420 120.400 0.005 0.000 2.057 105 K HA -0.162 4.158 4.320 0.000 0.000 0.207 105 K C 2.232 178.835 176.600 0.004 0.000 1.049 105 K CA 1.379 57.669 56.287 0.004 0.000 0.931 105 K CB -0.166 32.337 32.500 0.004 0.000 0.714 105 K HN 0.288 nan 8.250 nan 0.000 0.440 106 A N 0.815 123.638 122.820 0.005 0.000 1.902 106 A HA -0.119 4.201 4.320 0.000 0.000 0.217 106 A C 2.310 179.897 177.584 0.005 0.000 1.181 106 A CA 1.343 53.383 52.037 0.005 0.000 0.623 106 A CB -0.615 18.388 19.000 0.005 0.000 0.818 106 A HN 0.079 nan 8.150 nan 0.000 0.443 107 V N -0.080 119.838 119.914 0.006 0.000 2.287 107 V HA -0.274 3.846 4.120 0.000 0.000 0.248 107 V C 3.039 179.137 176.094 0.006 0.000 1.053 107 V CA 2.014 64.319 62.300 0.008 0.000 1.027 107 V CB -1.168 30.661 31.823 0.010 0.000 0.646 107 V HN 0.614 nan 8.190 nan 0.000 0.447 108 A N -0.228 122.595 122.820 0.005 0.000 2.019 108 A HA -0.014 4.306 4.320 0.000 0.000 0.219 108 A C 2.217 179.802 177.584 0.003 0.000 1.164 108 A CA 1.659 53.698 52.037 0.003 0.000 0.644 108 A CB -0.541 18.460 19.000 0.002 0.000 0.805 108 A HN 0.600 nan 8.150 nan 0.000 0.449 109 A N -1.833 120.989 122.820 0.003 0.000 2.235 109 A HA 0.402 4.723 4.320 0.000 0.000 0.208 109 A C 1.744 179.329 177.584 0.002 0.000 1.172 109 A CA 1.220 53.258 52.037 0.002 0.000 0.786 109 A CB -0.866 18.136 19.000 0.002 0.000 0.804 109 A HN 1.829 nan 8.150 nan 0.000 0.479 110 G N -1.915 106.887 108.800 0.003 0.000 2.159 110 G HA2 -0.226 3.734 3.960 0.000 0.000 0.227 110 G HA3 -0.226 3.734 3.960 0.000 0.000 0.227 110 G C 0.173 175.075 174.900 0.004 0.000 0.986 110 G CA 0.224 45.326 45.100 0.003 0.000 0.651 110 G HN 0.379 nan 8.290 nan 0.000 0.523 111 M N 0.766 120.368 119.600 0.004 0.000 2.241 111 M HA 0.240 4.720 4.480 0.000 0.000 0.335 111 M C 0.736 177.040 176.300 0.006 0.000 1.122 111 M CA -0.512 54.791 55.300 0.005 0.000 1.164 111 M CB 0.487 33.089 32.600 0.005 0.000 1.459 111 M HN 0.166 nan 8.290 nan 0.000 0.461 112 N N 2.886 121.589 118.700 0.006 0.000 2.438 112 N HA 0.063 4.804 4.740 0.000 0.000 0.267 112 N C -2.095 173.420 175.510 0.008 0.000 1.222 112 N CA -1.132 51.922 53.050 0.007 0.000 0.930 112 N CB 1.065 39.555 38.487 0.006 0.000 1.083 112 N HN 0.294 nan 8.380 nan 0.000 0.476 113 P HA -0.148 nan 4.420 nan 0.000 0.216 113 P C 1.629 178.935 177.300 0.011 0.000 1.153 113 P CA 1.431 64.538 63.100 0.012 0.000 0.858 113 P CB 0.209 31.918 31.700 0.015 0.000 0.789 114 M N -1.000 118.606 119.600 0.011 0.000 2.175 114 M HA -0.115 4.366 4.480 0.000 0.000 0.264 114 M C 1.483 177.788 176.300 0.007 0.000 1.063 114 M CA 1.609 56.914 55.300 0.009 0.000 1.119 114 M CB -1.701 30.905 32.600 0.009 0.000 1.377 114 M HN -0.010 nan 8.290 nan 0.000 0.415 115 D N 0.505 120.909 120.400 0.007 0.000 2.149 115 D HA -0.016 4.625 4.640 0.000 0.000 0.201 115 D C 2.344 178.647 176.300 0.005 0.000 0.972 115 D CA 0.890 54.893 54.000 0.005 0.000 0.835 115 D CB -0.064 40.739 40.800 0.005 0.000 0.966 115 D HN 0.319 nan 8.370 nan 0.000 0.476 116 L N 0.833 122.060 121.223 0.006 0.000 2.017 116 L HA -0.181 4.159 4.340 0.000 0.000 0.208 116 L C 2.544 179.418 176.870 0.006 0.000 1.073 116 L CA 1.205 56.049 54.840 0.006 0.000 0.745 116 L CB -0.347 41.716 42.059 0.007 0.000 0.894 116 L HN -0.026 nan 8.230 nan 0.000 0.432 117 K N 0.443 120.847 120.400 0.007 0.000 2.057 117 K HA -0.240 4.081 4.320 0.000 0.000 0.207 117 K C 2.338 178.940 176.600 0.004 0.000 1.049 117 K CA 1.419 57.709 56.287 0.006 0.000 0.931 117 K CB -0.063 32.442 32.500 0.008 0.000 0.714 117 K HN 0.061 nan 8.250 nan 0.000 0.440 118 R N -0.179 120.324 120.500 0.004 0.000 2.081 118 R HA -0.103 4.237 4.340 0.000 0.000 0.235 118 R C 2.292 178.593 176.300 0.001 0.000 1.131 118 R CA 1.831 57.932 56.100 0.002 0.000 0.960 118 R CB -0.603 29.698 30.300 0.002 0.000 0.856 118 R HN 0.416 nan 8.270 nan 0.000 0.436 119 G N 0.741 109.542 108.800 0.002 0.000 2.421 119 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 119 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 119 G C 1.445 176.346 174.900 0.001 0.000 1.171 119 G CA 0.896 45.997 45.100 0.001 0.000 0.775 119 G HN 0.279 nan 8.290 nan 0.000 0.543 120 I N 1.009 121.580 120.570 0.002 0.000 2.208 120 I HA -0.148 4.022 4.170 0.000 0.000 0.245 120 I C 2.255 178.371 176.117 -0.002 0.000 1.097 120 I CA 1.189 62.490 61.300 0.001 0.000 1.363 120 I CB -0.146 37.856 38.000 0.003 0.000 1.051 120 I HN 0.047 nan 8.210 nan 0.000 0.413 121 D N 0.718 121.116 120.400 -0.003 0.000 2.144 121 D HA -0.204 4.437 4.640 0.000 0.000 0.199 121 D C 2.081 178.376 176.300 -0.009 0.000 0.984 121 D CA 1.161 55.156 54.000 -0.008 0.000 0.834 121 D CB -0.158 40.637 40.800 -0.007 0.000 0.955 121 D HN 0.298 nan 8.370 nan 0.000 0.465 122 K N 0.731 121.127 120.400 -0.006 0.000 2.025 122 K HA -0.083 4.237 4.320 0.000 0.000 0.207 122 K C 2.043 178.640 176.600 -0.005 0.000 1.049 122 K CA 1.252 57.536 56.287 -0.005 0.000 0.933 122 K CB -0.040 32.458 32.500 -0.003 0.000 0.714 122 K HN -0.003 nan 8.250 nan 0.000 0.438 123 A N 0.649 123.467 122.820 -0.004 0.000 1.908 123 A HA -0.130 4.190 4.320 0.000 0.000 0.218 123 A C 2.238 179.818 177.584 -0.005 0.000 1.181 123 A CA 1.776 53.812 52.037 -0.003 0.000 0.627 123 A CB -0.687 18.313 19.000 -0.000 0.000 0.818 123 A HN 0.196 nan 8.150 nan 0.000 0.445 124 V N -0.565 119.343 119.914 -0.009 0.000 2.427 124 V HA -0.199 3.921 4.120 0.000 0.000 0.248 124 V C 2.733 178.815 176.094 -0.019 0.000 1.051 124 V CA 2.384 64.675 62.300 -0.015 0.000 1.048 124 V CB -1.102 30.708 31.823 -0.022 0.000 0.666 124 V HN 0.609 nan 8.190 nan 0.000 0.456 125 T N 0.061 114.604 114.554 -0.018 0.000 2.684 125 T HA -0.174 4.176 4.350 0.000 0.000 0.267 125 T C 1.918 176.611 174.700 -0.013 0.000 1.036 125 T CA 1.824 63.913 62.100 -0.018 0.000 1.148 125 T CB -0.197 68.662 68.868 -0.015 0.000 0.863 125 T HN 0.293 nan 8.240 nan 0.000 0.436 126 V N 1.518 121.427 119.914 -0.009 0.000 2.453 126 V HA -0.085 4.036 4.120 0.000 0.000 0.247 126 V C 2.846 178.938 176.094 -0.004 0.000 1.048 126 V CA 1.463 63.760 62.300 -0.005 0.000 1.049 126 V CB -1.159 30.663 31.823 -0.003 0.000 0.672 126 V HN 0.507 nan 8.190 nan 0.000 0.457 127 A N -0.132 122.685 122.820 -0.005 0.000 1.933 127 A HA -0.162 4.158 4.320 0.000 0.000 0.218 127 A C 2.388 179.969 177.584 -0.004 0.000 1.175 127 A CA 2.056 54.091 52.037 -0.002 0.000 0.628 127 A CB -0.639 18.360 19.000 -0.002 0.000 0.814 127 A HN 0.340 nan 8.150 nan 0.000 0.444 128 V N -0.005 119.903 119.914 -0.011 0.000 2.427 128 V HA -0.246 3.874 4.120 0.000 0.000 0.248 128 V C 2.375 178.464 176.094 -0.009 0.000 1.051 128 V CA 2.227 64.519 62.300 -0.013 0.000 1.048 128 V CB -0.765 31.044 31.823 -0.024 0.000 0.666 128 V HN 0.656 nan 8.190 nan 0.000 0.456 129 E N -0.103 120.093 120.200 -0.007 0.000 2.051 129 E HA -0.270 4.081 4.350 0.000 0.000 0.192 129 E C 2.231 178.831 176.600 -0.001 0.000 0.991 129 E CA 1.368 57.766 56.400 -0.004 0.000 0.799 129 E CB -0.138 29.559 29.700 -0.004 0.000 0.748 129 E HN 0.500 nan 8.360 nan 0.000 0.449 130 E N 0.850 121.050 120.200 0.001 0.000 2.153 130 E HA -0.167 4.183 4.350 0.000 0.000 0.194 130 E C 1.774 178.378 176.600 0.006 0.000 0.988 130 E CA 0.513 56.915 56.400 0.004 0.000 0.811 130 E CB -0.097 29.606 29.700 0.005 0.000 0.746 130 E HN 0.096 nan 8.360 nan 0.000 0.466 131 L N 0.606 121.831 121.223 0.004 0.000 2.141 131 L HA -0.051 4.289 4.340 0.000 0.000 0.209 131 L C 1.827 178.701 176.870 0.006 0.000 1.094 131 L CA 1.713 56.557 54.840 0.006 0.000 0.763 131 L CB -0.249 41.812 42.059 0.004 0.000 0.908 131 L HN 0.026 nan 8.230 nan 0.000 0.437 132 K N -1.180 119.222 120.400 0.003 0.000 2.155 132 K HA -0.028 4.292 4.320 0.000 0.000 0.203 132 K C 2.074 178.677 176.600 0.005 0.000 1.052 132 K CA 1.035 57.323 56.287 0.003 0.000 0.948 132 K CB -0.224 32.276 32.500 0.001 0.000 0.728 132 K HN 0.371 nan 8.250 nan 0.000 0.448 133 A N 1.455 124.278 122.820 0.005 0.000 1.898 133 A HA -0.110 4.210 4.320 0.000 0.000 0.216 133 A C 2.062 179.652 177.584 0.009 0.000 1.181 133 A CA 1.190 53.231 52.037 0.007 0.000 0.620 133 A CB -0.580 18.424 19.000 0.007 0.000 0.819 133 A HN 0.146 nan 8.150 nan 0.000 0.442 134 L N -0.308 120.922 121.223 0.011 0.000 2.217 134 L HA -0.027 4.313 4.340 0.000 0.000 0.211 134 L C 1.444 178.322 176.870 0.014 0.000 1.107 134 L CA 0.302 55.151 54.840 0.014 0.000 0.783 134 L CB -0.508 41.561 42.059 0.017 0.000 0.919 134 L HN 0.316 nan 8.230 nan 0.000 0.442 135 S N 0.251 115.957 115.700 0.011 0.000 2.575 135 S HA 0.078 4.549 4.470 0.000 0.000 0.295 135 S C -0.092 174.514 174.600 0.010 0.000 1.267 135 S CA -0.401 57.805 58.200 0.011 0.000 1.074 135 S CB 0.413 63.618 63.200 0.008 0.000 0.829 135 S HN -0.022 nan 8.310 nan 0.000 0.497 136 V N 9.232 129.153 119.914 0.011 0.000 2.383 136 V HA 0.327 4.447 4.120 0.000 0.000 0.275 136 V C -1.943 174.156 176.094 0.008 0.000 1.036 136 V CA -1.851 60.456 62.300 0.010 0.000 0.889 136 V CB 1.176 33.006 31.823 0.012 0.000 0.985 136 V HN 0.748 nan 8.190 nan 0.000 0.459 137 P HA 0.064 nan 4.420 nan 0.000 0.269 137 P C -0.480 176.823 177.300 0.005 0.000 1.217 137 P CA -0.120 62.983 63.100 0.005 0.000 0.783 137 P CB 0.402 32.104 31.700 0.004 0.000 0.898 138 C N 2.377 121.679 119.300 0.003 0.000 3.445 138 C HA 0.401 4.861 4.460 0.000 0.000 0.213 138 C C 1.213 176.204 174.990 0.001 0.000 1.319 138 C CA 0.109 59.129 59.018 0.003 0.000 1.402 138 C CB -1.513 26.229 27.740 0.003 0.000 1.819 138 C HN 0.533 nan 8.230 nan 0.000 0.491 139 S N 1.329 117.030 115.700 0.001 0.000 2.591 139 S HA 0.095 4.565 4.470 0.000 0.000 0.235 139 S C 0.320 174.920 174.600 0.000 0.000 1.074 139 S CA 0.291 58.491 58.200 0.000 0.000 0.925 139 S CB -0.020 63.180 63.200 0.001 0.000 0.818 139 S HN 0.948 nan 8.310 nan 0.000 0.535 140 D N 1.264 121.665 120.400 0.001 0.000 2.358 140 D HA 0.279 4.919 4.640 0.000 0.000 0.244 140 D C 1.137 177.438 176.300 0.001 0.000 1.163 140 D CA 0.141 54.142 54.000 0.001 0.000 0.945 140 D CB 0.551 41.352 40.800 0.002 0.000 1.152 140 D HN 0.129 nan 8.370 nan 0.000 0.451 141 S N -0.119 115.581 115.700 0.001 0.000 2.419 141 S HA -0.268 4.203 4.470 0.000 0.000 0.233 141 S C 1.656 176.257 174.600 0.001 0.000 1.016 141 S CA 0.883 59.084 58.200 0.001 0.000 0.974 141 S CB -0.441 62.760 63.200 0.000 0.000 0.786 141 S HN 0.579 nan 8.310 nan 0.000 0.492 142 K N 1.679 122.080 120.400 0.002 0.000 2.025 142 K HA 0.010 4.331 4.320 0.000 0.000 0.207 142 K C 2.394 178.995 176.600 0.003 0.000 1.049 142 K CA 1.156 57.445 56.287 0.002 0.000 0.933 142 K CB -0.682 31.820 32.500 0.002 0.000 0.714 142 K HN 0.422 nan 8.250 nan 0.000 0.438 143 A N 1.443 124.264 122.820 0.003 0.000 1.908 143 A HA -0.155 4.166 4.320 0.000 0.000 0.218 143 A C 2.097 179.683 177.584 0.003 0.000 1.181 143 A CA 1.566 53.605 52.037 0.003 0.000 0.627 143 A CB -0.611 18.391 19.000 0.003 0.000 0.818 143 A HN 0.371 nan 8.150 nan 0.000 0.445 144 I N -0.399 120.172 120.570 0.002 0.000 2.226 144 I HA -0.275 3.896 4.170 0.000 0.000 0.245 144 I C 2.957 179.076 176.117 0.003 0.000 1.100 144 I CA 1.034 62.335 61.300 0.002 0.000 1.374 144 I CB -0.332 37.668 38.000 0.000 0.000 1.057 144 I HN 0.369 nan 8.210 nan 0.000 0.413 145 A N 0.132 122.954 122.820 0.003 0.000 1.898 145 A HA -0.241 4.080 4.320 0.000 0.000 0.216 145 A C 2.260 179.846 177.584 0.003 0.000 1.181 145 A CA 1.454 53.493 52.037 0.003 0.000 0.620 145 A CB -0.579 18.422 19.000 0.002 0.000 0.819 145 A HN 0.436 nan 8.150 nan 0.000 0.442 146 Q N -0.547 119.255 119.800 0.003 0.000 2.061 146 Q HA -0.135 4.205 4.340 0.000 0.000 0.204 146 Q C 2.169 178.171 176.000 0.004 0.000 0.984 146 Q CA 1.812 57.617 55.803 0.004 0.000 0.846 146 Q CB -0.372 28.369 28.738 0.004 0.000 0.902 146 Q HN 0.475 nan 8.270 nan 0.000 0.421 147 V N 0.330 120.247 119.914 0.006 0.000 2.343 147 V HA -0.221 3.899 4.120 0.000 0.000 0.247 147 V C 2.185 178.285 176.094 0.009 0.000 1.051 147 V CA 1.983 64.288 62.300 0.008 0.000 1.036 147 V CB -1.121 30.707 31.823 0.008 0.000 0.654 147 V HN 0.563 nan 8.190 nan 0.000 0.451 148 G N -0.699 108.106 108.800 0.008 0.000 2.418 148 G HA2 -0.232 3.729 3.960 0.000 0.000 0.217 148 G HA3 -0.232 3.729 3.960 0.000 0.000 0.217 148 G C 1.699 176.604 174.900 0.008 0.000 1.158 148 G CA 1.481 46.587 45.100 0.010 0.000 0.771 148 G HN 0.462 nan 8.290 nan 0.000 0.545 149 T N 1.336 115.893 114.554 0.005 0.000 2.708 149 T HA -0.054 4.296 4.350 0.000 0.000 0.266 149 T C 2.376 177.078 174.700 0.002 0.000 1.037 149 T CA 0.979 63.081 62.100 0.003 0.000 1.146 149 T CB -0.163 68.706 68.868 0.002 0.000 0.865 149 T HN 0.235 nan 8.240 nan 0.000 0.435 150 I N 1.114 121.686 120.570 0.002 0.000 2.286 150 I HA -0.141 4.029 4.170 0.000 0.000 0.248 150 I C 2.408 178.526 176.117 0.002 0.000 1.115 150 I CA 0.992 62.292 61.300 0.001 0.000 1.392 150 I CB -0.258 37.743 38.000 0.001 0.000 1.065 150 I HN 0.180 nan 8.210 nan 0.000 0.418 151 S N 0.540 116.245 115.700 0.007 0.000 2.489 151 S HA 0.086 4.556 4.470 0.000 0.000 0.228 151 S C 1.554 176.159 174.600 0.007 0.000 0.995 151 S CA 0.792 58.998 58.200 0.010 0.000 0.934 151 S CB 0.010 63.223 63.200 0.021 0.000 0.771 151 S HN 0.479 nan 8.310 nan 0.000 0.522 152 A N 1.558 124.381 122.820 0.005 0.000 2.577 152 A HA 0.454 4.774 4.320 0.000 0.000 0.280 152 A C 0.610 178.194 177.584 -0.001 0.000 1.331 152 A CA -0.405 51.634 52.037 0.003 0.000 0.935 152 A CB -0.679 18.324 19.000 0.004 0.000 1.082 152 A HN 0.383 nan 8.150 nan 0.000 0.525 153 N N -0.223 118.475 118.700 -0.003 0.000 2.756 153 N HA -0.233 4.508 4.740 0.000 0.000 0.248 153 N C 0.228 175.734 175.510 -0.006 0.000 1.062 153 N CA 1.105 54.151 53.050 -0.007 0.000 0.696 153 N CB -1.858 36.625 38.487 -0.008 0.000 0.946 153 N HN 0.564 nan 8.380 nan 0.000 0.548 154 S N -1.791 113.906 115.700 -0.005 0.000 3.490 154 S HA -0.230 4.240 4.470 0.000 0.000 0.301 154 S C -0.336 174.262 174.600 -0.003 0.000 1.233 154 S CA 0.789 58.986 58.200 -0.005 0.000 0.914 154 S CB -1.104 62.091 63.200 -0.007 0.000 1.047 154 S HN 0.745 nan 8.310 nan 0.000 0.602 155 D N 1.575 121.974 120.400 -0.002 0.000 2.453 155 D HA 0.229 4.870 4.640 0.000 0.000 0.223 155 D C 1.114 177.414 176.300 0.000 0.000 1.183 155 D CA -0.200 53.799 54.000 -0.001 0.000 0.933 155 D CB 0.377 41.176 40.800 -0.001 0.000 1.038 155 D HN 0.481 nan 8.370 nan 0.000 0.513 156 E N 1.081 121.281 120.200 -0.000 0.000 2.267 156 E HA -0.144 4.207 4.350 0.000 0.000 0.197 156 E C 1.365 177.966 176.600 0.001 0.000 0.998 156 E CA 0.940 57.340 56.400 0.000 0.000 0.830 156 E CB 0.301 30.001 29.700 0.000 0.000 0.751 156 E HN 0.454 nan 8.360 nan 0.000 0.491 157 T N 0.723 115.277 114.554 0.001 0.000 2.674 157 T HA -0.133 4.217 4.350 0.000 0.000 0.265 157 T C 2.104 176.805 174.700 0.002 0.000 1.039 157 T CA 1.231 63.331 62.100 0.001 0.000 1.150 157 T CB -0.191 68.678 68.868 0.001 0.000 0.864 157 T HN 0.011 nan 8.240 nan 0.000 0.427 158 V N 1.415 121.330 119.914 0.002 0.000 2.490 158 V HA -0.106 4.015 4.120 0.000 0.000 0.250 158 V C 2.813 178.910 176.094 0.004 0.000 1.061 158 V CA 1.854 64.156 62.300 0.004 0.000 1.064 158 V CB -1.384 30.442 31.823 0.005 0.000 0.670 158 V HN 0.605 nan 8.190 nan 0.000 0.461 159 G N -0.221 108.581 108.800 0.004 0.000 2.418 159 G HA2 -0.297 3.663 3.960 0.000 0.000 0.217 159 G HA3 -0.297 3.663 3.960 0.000 0.000 0.217 159 G C 1.631 176.533 174.900 0.003 0.000 1.158 159 G CA 1.044 46.147 45.100 0.004 0.000 0.771 159 G HN 0.511 nan 8.290 nan 0.000 0.545 160 K N 0.006 120.408 120.400 0.002 0.000 2.026 160 K HA 0.064 4.384 4.320 0.000 0.000 0.208 160 K C 2.509 179.111 176.600 0.002 0.000 1.048 160 K CA 0.757 57.045 56.287 0.002 0.000 0.929 160 K CB -0.306 32.195 32.500 0.001 0.000 0.713 160 K HN 0.313 nan 8.250 nan 0.000 0.439 161 L N 1.009 122.233 121.223 0.002 0.000 1.990 161 L HA -0.247 4.093 4.340 0.000 0.000 0.213 161 L C 2.472 179.343 176.870 0.002 0.000 1.072 161 L CA 1.541 56.382 54.840 0.002 0.000 0.755 161 L CB -0.378 41.683 42.059 0.003 0.000 0.889 161 L HN 0.290 nan 8.230 nan 0.000 0.432 162 I N -0.590 119.982 120.570 0.003 0.000 2.226 162 I HA -0.279 3.891 4.170 0.000 0.000 0.245 162 I C 2.744 178.862 176.117 0.001 0.000 1.100 162 I CA 1.110 62.412 61.300 0.003 0.000 1.374 162 I CB -0.486 37.517 38.000 0.005 0.000 1.057 162 I HN 0.224 nan 8.210 nan 0.000 0.413 163 A N 0.588 123.409 122.820 0.001 0.000 1.933 163 A HA -0.209 4.111 4.320 0.000 0.000 0.218 163 A C 2.208 179.792 177.584 -0.000 0.000 1.175 163 A CA 1.620 53.657 52.037 0.000 0.000 0.628 163 A CB -0.515 18.486 19.000 0.001 0.000 0.814 163 A HN 0.459 nan 8.150 nan 0.000 0.444 164 E N -0.235 119.965 120.200 0.000 0.000 2.106 164 E HA -0.057 4.293 4.350 0.000 0.000 0.192 164 E C 2.295 178.895 176.600 -0.000 0.000 0.984 164 E CA 0.832 57.232 56.400 -0.000 0.000 0.806 164 E CB -0.271 29.429 29.700 0.000 0.000 0.750 164 E HN 0.614 nan 8.360 nan 0.000 0.458 165 A N 1.199 124.019 122.820 -0.000 0.000 1.930 165 A HA -0.143 4.177 4.320 0.000 0.000 0.217 165 A C 2.145 179.728 177.584 -0.002 0.000 1.175 165 A CA 1.202 53.239 52.037 -0.001 0.000 0.627 165 A CB -0.372 18.628 19.000 -0.001 0.000 0.815 165 A HN 0.128 nan 8.150 nan 0.000 0.443 166 M N -1.079 118.519 119.600 -0.003 0.000 2.319 166 M HA -0.096 4.384 4.480 0.000 0.000 0.265 166 M C 1.680 177.978 176.300 -0.003 0.000 1.068 166 M CA 1.605 56.903 55.300 -0.004 0.000 1.118 166 M CB -0.382 32.215 32.600 -0.005 0.000 1.395 166 M HN 0.464 nan 8.290 nan 0.000 0.435 167 D N 0.575 120.974 120.400 -0.002 0.000 2.224 167 D HA -0.109 4.531 4.640 0.000 0.000 0.205 167 D C 2.016 178.315 176.300 -0.001 0.000 0.965 167 D CA 1.040 55.039 54.000 -0.001 0.000 0.852 167 D CB 0.341 41.140 40.800 -0.001 0.000 0.947 167 D HN 0.011 nan 8.370 nan 0.000 0.494 168 K N -0.128 120.271 120.400 -0.001 0.000 2.021 168 K HA -0.002 4.318 4.320 0.000 0.000 0.205 168 K C 1.907 178.506 176.600 -0.001 0.000 1.047 168 K CA 1.225 57.511 56.287 -0.001 0.000 0.943 168 K CB -0.402 32.097 32.500 -0.001 0.000 0.725 168 K HN 0.265 nan 8.250 nan 0.000 0.439 169 V N -2.325 117.588 119.914 -0.002 0.000 3.542 169 V HA 0.400 4.520 4.120 0.000 0.000 0.296 169 V C 0.466 176.558 176.094 -0.003 0.000 1.364 169 V CA 0.107 62.406 62.300 -0.002 0.000 1.118 169 V CB -0.483 31.339 31.823 -0.001 0.000 0.972 169 V HN 0.380 nan 8.190 nan 0.000 0.430 170 G N 2.161 110.959 108.800 -0.003 0.000 2.705 170 G HA2 -0.196 3.764 3.960 0.000 0.000 0.686 170 G HA3 -0.196 3.764 3.960 0.000 0.000 0.686 170 G C 0.188 175.084 174.900 -0.006 0.000 1.285 170 G CA -0.081 45.017 45.100 -0.004 0.000 0.800 170 G HN 0.770 nan 8.290 nan 0.000 0.611 171 K N -0.119 120.277 120.400 -0.007 0.000 2.442 171 K HA 0.019 4.339 4.320 0.000 0.000 0.198 171 K C 0.982 177.574 176.600 -0.013 0.000 1.042 171 K CA 1.616 57.897 56.287 -0.010 0.000 0.958 171 K CB 0.294 32.789 32.500 -0.009 0.000 0.766 171 K HN 0.425 nan 8.250 nan 0.000 0.474 172 E N 1.231 121.425 120.200 -0.010 0.000 2.481 172 E HA 0.094 4.444 4.350 0.000 0.000 0.198 172 E C 0.763 177.357 176.600 -0.010 0.000 1.027 172 E CA 0.068 56.461 56.400 -0.012 0.000 0.900 172 E CB 0.817 30.513 29.700 -0.008 0.000 0.993 172 E HN 0.423 nan 8.360 nan 0.000 0.482 173 G N 0.841 109.636 108.800 -0.009 0.000 2.616 173 G HA2 0.280 4.240 3.960 0.000 0.000 0.268 173 G HA3 0.280 4.240 3.960 0.000 0.000 0.268 173 G C 0.091 174.986 174.900 -0.008 0.000 1.213 173 G CA -0.474 44.622 45.100 -0.006 0.000 0.926 173 G HN -0.051 nan 8.290 nan 0.000 0.523 174 V N 0.758 120.669 119.914 -0.004 0.000 2.488 174 V HA 0.354 4.475 4.120 0.000 0.000 0.277 174 V C 0.262 176.353 176.094 -0.006 0.000 1.046 174 V CA 0.156 62.453 62.300 -0.006 0.000 0.986 174 V CB 0.553 32.376 31.823 0.000 0.000 0.989 174 V HN 0.428 nan 8.190 nan 0.000 0.475 175 I N 4.006 124.570 120.570 -0.009 0.000 2.582 175 I HA 0.551 4.722 4.170 0.000 0.000 0.292 175 I C -0.196 175.919 176.117 -0.003 0.000 1.066 175 I CA -0.196 61.101 61.300 -0.005 0.000 1.053 175 I CB 2.574 40.570 38.000 -0.006 0.000 1.241 175 I HN 0.560 nan 8.210 nan 0.000 0.421 176 T N 4.420 118.974 114.554 -0.000 0.000 2.906 176 T HA 0.612 4.962 4.350 0.000 0.000 0.295 176 T C -0.691 174.011 174.700 0.003 0.000 1.075 176 T CA -0.689 61.412 62.100 0.002 0.000 1.005 176 T CB 2.477 71.344 68.868 -0.001 0.000 1.136 176 T HN 0.432 nan 8.240 nan 0.000 0.498 177 V N -0.464 119.453 119.914 0.006 0.000 2.540 177 V HA 0.836 4.957 4.120 0.000 0.000 0.302 177 V C -0.856 175.241 176.094 0.004 0.000 1.035 177 V CA -0.732 61.571 62.300 0.006 0.000 0.873 177 V CB 1.591 33.419 31.823 0.009 0.000 0.992 177 V HN 0.932 nan 8.190 nan 0.000 0.428 178 E N 2.052 122.254 120.200 0.002 0.000 2.369 178 E HA 0.406 4.756 4.350 0.000 0.000 0.270 178 E C -1.434 175.167 176.600 0.001 0.000 0.909 178 E CA -1.032 55.368 56.400 0.001 0.000 0.775 178 E CB 1.914 31.614 29.700 -0.001 0.000 1.270 178 E HN 0.784 nan 8.360 nan 0.000 0.445 179 D N 1.068 121.468 120.400 -0.000 0.000 2.449 179 D HA 0.086 4.726 4.640 0.000 0.000 0.236 179 D C 0.201 176.500 176.300 -0.001 0.000 1.149 179 D CA 0.551 54.551 54.000 -0.000 0.000 0.878 179 D CB 0.875 41.675 40.800 -0.001 0.000 1.198 179 D HN 0.494 nan 8.370 nan 0.000 0.446 180 G N -0.328 108.471 108.800 -0.001 0.000 2.562 180 G HA2 0.258 4.218 3.960 0.000 0.000 0.275 180 G HA3 0.258 4.218 3.960 0.000 0.000 0.275 180 G C 1.041 175.940 174.900 -0.001 0.000 1.196 180 G CA -0.231 44.868 45.100 -0.001 0.000 0.908 180 G HN 0.445 nan 8.290 nan 0.000 0.524 181 T N -3.091 111.462 114.554 -0.002 0.000 3.113 181 T HA 0.419 4.769 4.350 0.000 0.000 0.256 181 T C 1.065 175.764 174.700 -0.002 0.000 1.131 181 T CA 0.697 62.796 62.100 -0.002 0.000 1.074 181 T CB -0.049 68.818 68.868 -0.002 0.000 0.944 181 T HN 2.097 nan 8.240 nan 0.000 0.516 182 G N 1.637 110.436 108.800 -0.001 0.000 3.220 182 G HA2 0.324 4.284 3.960 0.000 0.000 0.636 182 G HA3 0.324 4.284 3.960 0.000 0.000 0.636 182 G C -0.771 174.128 174.900 -0.001 0.000 1.226 182 G CA -0.703 44.396 45.100 -0.001 0.000 1.177 182 G HN 0.795 nan 8.290 nan 0.000 0.527 183 L N 0.974 122.196 121.223 -0.001 0.000 0.809 183 L HA -0.153 4.187 4.340 0.000 0.000 0.364 183 L C 0.278 177.148 176.870 -0.001 0.000 1.004 183 L CA 2.233 57.073 54.840 -0.001 0.000 1.222 183 L CB -0.731 41.327 42.059 -0.001 0.000 0.271 183 L HN 2.022 nan 8.230 nan 0.000 0.176 184 Q N 2.275 122.074 119.800 -0.000 0.000 3.149 184 Q HA -0.081 4.259 4.340 0.000 0.000 0.055 184 Q C -0.589 175.410 176.000 -0.000 0.000 1.662 184 Q CA 0.923 56.725 55.803 -0.000 0.000 0.281 184 Q CB -0.131 28.607 28.738 -0.000 0.000 0.584 184 Q HN 0.679 nan 8.270 nan 0.000 0.322 185 D N 2.572 122.972 120.400 0.000 0.000 2.358 185 D HA 0.264 4.904 4.640 0.000 0.000 0.244 185 D C -0.022 176.278 176.300 0.000 0.000 1.163 185 D CA 0.179 54.179 54.000 0.000 0.000 0.945 185 D CB 0.765 41.566 40.800 0.001 0.000 1.152 185 D HN 0.326 nan 8.370 nan 0.000 0.451 186 E N -0.024 120.176 120.200 0.000 0.000 2.292 186 E HA 0.446 4.796 4.350 0.000 0.000 0.272 186 E C -1.208 175.392 176.600 0.000 0.000 0.881 186 E CA -0.833 55.567 56.400 -0.000 0.000 0.754 186 E CB 2.426 32.125 29.700 -0.001 0.000 1.201 186 E HN 0.065 nan 8.360 nan 0.000 0.425 187 L N 4.182 125.405 121.223 -0.000 0.000 2.372 187 L HA 0.458 4.798 4.340 0.000 0.000 0.274 187 L C -1.807 175.063 176.870 -0.000 0.000 0.988 187 L CA -0.272 54.568 54.840 0.000 0.000 0.833 187 L CB 1.155 43.214 42.059 0.000 0.000 1.236 187 L HN 0.508 nan 8.230 nan 0.000 0.410 188 D N 4.117 124.516 120.400 -0.000 0.000 2.756 188 D HA 0.400 5.040 4.640 0.000 0.000 0.226 188 D C -1.138 175.162 176.300 -0.000 0.000 1.186 188 D CA -0.459 53.541 54.000 -0.000 0.000 0.845 188 D CB 2.191 42.991 40.800 -0.001 0.000 1.610 188 D HN 0.249 nan 8.370 nan 0.000 0.465 189 V N 0.740 120.654 119.914 0.000 0.000 2.481 189 V HA 0.506 4.627 4.120 0.000 0.000 0.286 189 V C 0.704 176.799 176.094 0.001 0.000 1.042 189 V CA -0.633 61.668 62.300 0.001 0.000 0.928 189 V CB 1.204 33.028 31.823 0.001 0.000 0.986 189 V HN 0.617 nan 8.190 nan 0.000 0.462 190 V N 1.335 121.250 119.914 0.002 0.000 3.113 190 V HA 0.685 4.806 4.120 0.000 0.000 0.316 190 V C -0.280 175.817 176.094 0.005 0.000 1.125 190 V CA -1.008 61.294 62.300 0.002 0.000 1.026 190 V CB 2.160 33.984 31.823 0.001 0.000 1.080 190 V HN 0.683 nan 8.190 nan 0.000 0.444 191 E N 1.650 121.853 120.200 0.006 0.000 2.220 191 E HA 0.574 4.924 4.350 0.000 0.000 0.272 191 E C 0.185 176.793 176.600 0.013 0.000 1.099 191 E CA 0.761 57.166 56.400 0.008 0.000 0.907 191 E CB 0.714 30.418 29.700 0.008 0.000 1.022 191 E HN 1.123 nan 8.360 nan 0.000 0.428 192 G N 1.738 110.549 108.800 0.017 0.000 2.687 192 G HA2 0.687 4.648 3.960 0.000 0.000 0.291 192 G HA3 0.687 4.648 3.960 0.000 0.000 0.291 192 G C -1.141 173.782 174.900 0.038 0.000 1.420 192 G CA -0.600 44.516 45.100 0.027 0.000 0.796 192 G HN 0.384 nan 8.290 nan 0.000 0.485 193 M N -0.261 119.374 119.600 0.059 0.000 2.643 193 M HA 0.567 5.047 4.480 0.000 0.000 0.276 193 M C -2.363 174.006 176.300 0.115 0.000 1.200 193 M CA -0.661 54.691 55.300 0.085 0.000 0.863 193 M CB 2.510 35.171 32.600 0.101 0.000 1.711 193 M HN 0.635 nan 8.290 nan 0.000 0.492 194 Q N 3.337 123.212 119.800 0.126 0.000 2.263 194 Q HA 0.577 4.917 4.340 0.000 0.000 0.266 194 Q C -2.186 173.911 176.000 0.161 0.000 1.002 194 Q CA -0.598 55.251 55.803 0.076 0.000 0.790 194 Q CB 1.863 30.600 28.738 -0.001 0.000 1.272 194 Q HN 0.583 nan 8.270 nan 0.000 0.435 195 F N 0.069 120.012 119.950 -0.011 0.000 2.598 195 F HA 0.552 5.079 4.527 0.000 0.000 0.327 195 F C -0.268 175.524 175.800 -0.014 0.000 1.057 195 F CA -1.290 56.705 58.000 -0.009 0.000 0.957 195 F CB 0.921 39.919 39.000 -0.004 0.000 1.278 195 F HN 0.273 nan 8.300 nan 0.000 0.484 196 D N 2.993 123.481 120.400 0.148 0.000 2.608 196 D HA 0.178 4.818 4.640 0.000 0.000 0.224 196 D C -0.279 176.046 176.300 0.042 0.000 1.123 196 D CA 0.298 54.319 54.000 0.035 0.000 1.030 196 D CB -0.149 40.683 40.800 0.053 0.000 1.093 196 D HN 0.290 nan 8.370 nan 0.000 0.497 197 R N 0.376 120.829 120.500 -0.080 0.000 2.522 197 R HA 0.470 4.811 4.340 0.000 0.000 0.283 197 R C 0.224 176.409 176.300 -0.191 0.000 1.074 197 R CA -0.688 55.386 56.100 -0.044 0.000 0.925 197 R CB 1.980 32.387 30.300 0.178 0.000 1.205 197 R HN 0.234 nan 8.270 nan 0.000 0.436 198 G N 1.146 109.833 108.800 -0.189 0.000 2.557 198 G HA2 0.436 4.396 3.960 0.000 0.000 0.302 198 G HA3 0.436 4.396 3.960 0.000 0.000 0.302 198 G C -0.617 174.151 174.900 -0.220 0.000 1.311 198 G CA -0.520 44.382 45.100 -0.331 0.000 1.030 198 G HN 0.435 nan 8.290 nan 0.000 0.509 199 Y N -1.168 119.131 120.300 -0.002 0.000 2.597 199 Y HA 0.296 4.847 4.550 0.000 0.000 0.336 199 Y C 1.156 177.121 175.900 0.108 0.000 1.216 199 Y CA -1.163 56.960 58.100 0.038 0.000 1.463 199 Y CB 0.334 38.873 38.460 0.133 0.000 1.303 199 Y HN 0.178 nan 8.280 nan 0.000 0.576 200 L N 2.691 124.127 121.223 0.355 0.000 2.675 200 L HA 0.080 4.420 4.340 0.000 0.000 0.239 200 L C 0.083 177.201 176.870 0.414 0.000 1.151 200 L CA 0.817 55.851 54.840 0.323 0.000 0.905 200 L CB -0.991 41.215 42.059 0.246 0.000 1.057 200 L HN 0.917 nan 8.230 nan 0.000 0.435 201 S N -4.052 111.980 115.700 0.553 0.000 2.744 201 S HA 0.255 4.725 4.470 0.000 0.000 0.284 201 S C -2.960 171.659 174.600 0.031 0.000 0.979 201 S CA -1.237 57.141 58.200 0.297 0.000 0.870 201 S CB 0.904 64.225 63.200 0.202 0.000 1.094 201 S HN -0.263 nan 8.310 nan 0.000 0.458 202 P HA 0.413 nan 4.420 nan 0.000 0.330 202 P C 0.327 177.301 177.300 -0.544 0.000 1.377 202 P CA 0.549 63.227 63.100 -0.704 0.000 0.793 202 P CB -0.130 31.143 31.700 -0.711 0.000 1.813 203 Y N -4.912 115.186 120.300 -0.337 0.000 2.802 203 Y HA -0.305 4.245 4.550 0.000 0.000 0.485 203 Y C 1.884 177.626 175.900 -0.264 0.000 1.190 203 Y CA 1.479 59.390 58.100 -0.314 0.000 2.757 203 Y CB -3.101 35.107 38.460 -0.420 0.000 0.919 203 Y HN 0.103 nan 8.280 nan 0.000 0.540 204 F N 0.571 120.505 119.950 -0.026 0.000 2.250 204 F HA -0.070 4.457 4.527 0.000 0.000 0.301 204 F C 1.486 177.237 175.800 -0.081 0.000 1.077 204 F CA 0.859 58.837 58.000 -0.038 0.000 1.348 204 F CB -0.582 38.399 39.000 -0.032 0.000 1.040 204 F HN -0.008 nan 8.300 nan 0.000 0.509 205 I N 2.684 123.232 120.570 -0.036 0.000 2.818 205 I HA -0.170 4.000 4.170 0.000 0.000 0.285 205 I C 0.821 176.936 176.117 -0.002 0.000 1.160 205 I CA 0.252 61.514 61.300 -0.063 0.000 1.370 205 I CB -0.176 37.715 38.000 -0.182 0.000 1.440 205 I HN 0.206 nan 8.210 nan 0.000 0.555 206 N N 5.305 124.026 118.700 0.034 0.000 2.299 206 N HA -0.005 4.735 4.740 0.000 0.000 0.187 206 N C 0.053 175.575 175.510 0.020 0.000 1.099 206 N CA 0.188 53.258 53.050 0.033 0.000 0.867 206 N CB 0.319 38.834 38.487 0.046 0.000 0.974 206 N HN 0.453 nan 8.380 nan 0.000 0.477 207 K N 0.975 121.385 120.400 0.017 0.000 2.753 207 K HA 0.236 4.556 4.320 0.000 0.000 0.185 207 K C -2.128 174.477 176.600 0.007 0.000 1.071 207 K CA -1.665 54.630 56.287 0.013 0.000 0.999 207 K CB 2.063 34.573 32.500 0.018 0.000 1.244 207 K HN -0.001 nan 8.250 nan 0.000 0.594 208 P HA -0.183 nan 4.420 nan 0.000 0.223 208 P C 0.262 177.559 177.300 -0.006 0.000 1.144 208 P CA 1.176 64.270 63.100 -0.011 0.000 0.783 208 P CB 0.496 32.186 31.700 -0.017 0.000 0.771 209 E N -0.200 119.999 120.200 -0.001 0.000 2.110 209 E HA -0.093 4.257 4.350 0.000 0.000 0.193 209 E C 1.603 178.202 176.600 -0.003 0.000 0.988 209 E CA 1.686 58.084 56.400 -0.003 0.000 0.804 209 E CB -1.007 28.692 29.700 -0.002 0.000 0.745 209 E HN 0.275 nan 8.360 nan 0.000 0.458 210 T N -1.508 113.050 114.554 0.007 0.000 3.044 210 T HA 0.279 4.630 4.350 0.000 0.000 0.260 210 T C 1.123 175.842 174.700 0.031 0.000 1.019 210 T CA 0.259 62.367 62.100 0.014 0.000 0.921 210 T CB 0.759 69.639 68.868 0.021 0.000 1.053 210 T HN 0.327 nan 8.240 nan 0.000 0.533 211 G N 1.807 110.624 108.800 0.028 0.000 2.225 211 G HA2 -0.049 3.912 3.960 0.000 0.000 0.267 211 G HA3 -0.049 3.912 3.960 0.000 0.000 0.267 211 G C 0.153 175.125 174.900 0.121 0.000 1.024 211 G CA 0.258 45.387 45.100 0.047 0.000 0.784 211 G HN 0.918 nan 8.290 nan 0.000 0.507 212 A N -1.592 121.288 122.820 0.100 0.000 2.387 212 A HA 0.937 5.257 4.320 0.000 0.000 0.298 212 A C -0.220 177.430 177.584 0.110 0.000 1.165 212 A CA -0.221 51.907 52.037 0.151 0.000 0.814 212 A CB 1.947 21.006 19.000 0.097 0.000 1.357 212 A HN 1.155 nan 8.150 nan 0.000 0.443 213 V N 0.694 120.690 119.914 0.138 0.000 2.483 213 V HA 0.578 4.698 4.120 0.000 0.000 0.295 213 V C -0.132 175.998 176.094 0.061 0.000 1.035 213 V CA -0.390 61.970 62.300 0.100 0.000 0.896 213 V CB 1.350 33.254 31.823 0.134 0.000 0.986 213 V HN 0.921 nan 8.190 nan 0.000 0.447 214 E N 4.001 124.227 120.200 0.044 0.000 2.246 214 E HA 0.677 5.028 4.350 0.000 0.000 0.266 214 E C -1.862 174.749 176.600 0.019 0.000 0.880 214 E CA -0.597 55.817 56.400 0.024 0.000 0.762 214 E CB 1.791 31.503 29.700 0.019 0.000 1.180 214 E HN 0.631 nan 8.360 nan 0.000 0.416 215 L N 3.137 124.364 121.223 0.007 0.000 2.381 215 L HA 0.526 4.866 4.340 0.000 0.000 0.268 215 L C -0.513 176.348 176.870 -0.015 0.000 0.997 215 L CA -0.866 53.974 54.840 -0.000 0.000 0.818 215 L CB 2.139 44.197 42.059 -0.001 0.000 1.310 215 L HN 0.513 nan 8.230 nan 0.000 0.416 216 E N 1.081 121.266 120.200 -0.024 0.000 2.158 216 E HA 0.326 4.676 4.350 0.000 0.000 0.271 216 E C -0.402 176.156 176.600 -0.071 0.000 0.911 216 E CA -0.596 55.781 56.400 -0.039 0.000 0.767 216 E CB 1.671 31.353 29.700 -0.029 0.000 1.120 216 E HN 0.608 nan 8.360 nan 0.000 0.405 217 S N 1.887 117.534 115.700 -0.089 0.000 3.550 217 S HA -0.133 4.338 4.470 0.000 0.000 0.372 217 S C -2.121 172.334 174.600 -0.241 0.000 0.966 217 S CA 0.433 58.543 58.200 -0.150 0.000 1.229 217 S CB -1.441 61.673 63.200 -0.144 0.000 0.917 217 S HN 0.494 nan 8.310 nan 0.000 0.496 218 P HA 0.586 nan 4.420 nan 0.000 0.280 218 P C -0.230 176.926 177.300 -0.240 0.000 1.272 218 P CA -0.737 62.251 63.100 -0.188 0.000 0.819 218 P CB 0.609 32.277 31.700 -0.054 0.000 1.122 219 F N -0.074 119.883 119.950 0.011 0.000 2.379 219 F HA 0.433 4.960 4.527 0.000 0.000 0.332 219 F C 0.814 176.621 175.800 0.011 0.000 1.096 219 F CA -0.386 57.620 58.000 0.010 0.000 1.105 219 F CB 0.702 39.708 39.000 0.009 0.000 1.189 219 F HN 0.021 nan 8.300 nan 0.000 0.515 220 I N 4.406 125.111 120.570 0.224 0.000 2.382 220 I HA 0.245 4.415 4.170 0.000 0.000 0.286 220 I C -1.146 175.031 176.117 0.099 0.000 1.002 220 I CA -0.912 60.464 61.300 0.126 0.000 1.135 220 I CB 1.662 39.718 38.000 0.093 0.000 1.288 220 I HN 0.271 nan 8.210 nan 0.000 0.448 221 L N 8.327 129.593 121.223 0.072 0.000 2.265 221 L HA 0.441 4.781 4.340 0.000 0.000 0.288 221 L C -0.813 176.074 176.870 0.029 0.000 1.058 221 L CA 0.113 54.978 54.840 0.041 0.000 0.809 221 L CB 0.686 42.764 42.059 0.030 0.000 1.179 221 L HN 0.482 nan 8.230 nan 0.000 0.429 222 L N 6.781 128.014 121.223 0.017 0.000 2.371 222 L HA 0.588 4.928 4.340 0.000 0.000 0.262 222 L C 0.104 176.973 176.870 -0.002 0.000 1.054 222 L CA -0.380 54.462 54.840 0.003 0.000 0.924 222 L CB 0.736 42.791 42.059 -0.007 0.000 1.295 222 L HN 0.786 nan 8.230 nan 0.000 0.441 223 A N 0.901 123.723 122.820 0.002 0.000 2.260 223 A HA 0.298 4.618 4.320 0.000 0.000 0.308 223 A C -0.072 177.512 177.584 -0.000 0.000 1.254 223 A CA -0.449 51.589 52.037 0.002 0.000 0.874 223 A CB 0.499 19.504 19.000 0.008 0.000 1.153 223 A HN 0.607 nan 8.150 nan 0.000 0.527 224 D N 2.405 122.803 120.400 -0.004 0.000 2.845 224 D HA 0.327 4.967 4.640 0.000 0.000 0.235 224 D C 0.110 176.412 176.300 0.003 0.000 1.158 224 D CA 0.253 54.250 54.000 -0.005 0.000 0.990 224 D CB -0.601 40.192 40.800 -0.012 0.000 1.094 224 D HN 0.647 nan 8.370 nan 0.000 0.486 225 K N -0.975 119.431 120.400 0.010 0.000 2.809 225 K HA 0.269 4.589 4.320 0.000 0.000 0.293 225 K C -1.214 175.400 176.600 0.022 0.000 1.061 225 K CA -1.162 55.134 56.287 0.015 0.000 0.837 225 K CB 0.662 33.170 32.500 0.012 0.000 1.524 225 K HN -0.186 nan 8.250 nan 0.000 0.370 226 K N 0.854 121.269 120.400 0.025 0.000 2.144 226 K HA 0.447 4.767 4.320 0.000 0.000 0.270 226 K C -0.534 176.083 176.600 0.029 0.000 1.005 226 K CA -0.527 55.779 56.287 0.031 0.000 0.932 226 K CB 0.797 33.317 32.500 0.032 0.000 1.021 226 K HN 0.373 nan 8.250 nan 0.000 0.462 227 I N 1.883 122.473 120.570 0.034 0.000 2.411 227 I HA 0.082 4.252 4.170 0.000 0.000 0.284 227 I C 0.282 176.421 176.117 0.037 0.000 1.012 227 I CA -0.092 61.227 61.300 0.033 0.000 1.119 227 I CB 1.857 39.878 38.000 0.035 0.000 1.261 227 I HN 0.640 nan 8.210 nan 0.000 0.448 228 S N 3.276 118.994 115.700 0.031 0.000 2.641 228 S HA 0.202 4.672 4.470 0.000 0.000 0.239 228 S C 0.641 175.257 174.600 0.027 0.000 1.081 228 S CA -0.049 58.169 58.200 0.030 0.000 0.904 228 S CB 0.253 63.468 63.200 0.026 0.000 0.803 228 S HN 0.580 nan 8.310 nan 0.000 0.510 229 N N 1.997 120.710 118.700 0.023 0.000 2.426 229 N HA 0.291 5.032 4.740 0.000 0.000 0.275 229 N C 0.500 176.023 175.510 0.020 0.000 1.019 229 N CA -0.100 52.961 53.050 0.019 0.000 0.941 229 N CB 1.702 40.198 38.487 0.014 0.000 1.123 229 N HN 0.180 nan 8.380 nan 0.000 0.486 230 I N 2.837 123.420 120.570 0.021 0.000 2.454 230 I HA -0.223 3.947 4.170 0.000 0.000 0.254 230 I C 1.943 178.070 176.117 0.016 0.000 1.156 230 I CA 1.004 62.317 61.300 0.022 0.000 1.433 230 I CB 0.214 38.227 38.000 0.021 0.000 1.082 230 I HN 0.421 nan 8.210 nan 0.000 0.432 231 R N 0.938 121.446 120.500 0.012 0.000 2.134 231 R HA -0.264 4.076 4.340 0.000 0.000 0.248 231 R C 2.022 178.327 176.300 0.007 0.000 1.143 231 R CA 2.384 58.489 56.100 0.008 0.000 0.957 231 R CB -0.631 29.673 30.300 0.007 0.000 0.867 231 R HN 0.562 nan 8.270 nan 0.000 0.441 232 E N -0.045 120.160 120.200 0.009 0.000 2.130 232 E HA -0.207 4.144 4.350 0.000 0.000 0.196 232 E C 2.039 178.642 176.600 0.005 0.000 0.998 232 E CA 1.267 57.671 56.400 0.006 0.000 0.806 232 E CB -0.064 29.641 29.700 0.009 0.000 0.738 232 E HN 0.280 nan 8.360 nan 0.000 0.459 233 M N 0.289 119.895 119.600 0.010 0.000 2.236 233 M HA -0.037 4.443 4.480 0.000 0.000 0.266 233 M C 2.377 178.681 176.300 0.006 0.000 1.070 233 M CA 0.978 56.284 55.300 0.011 0.000 1.137 233 M CB -0.873 31.740 32.600 0.022 0.000 1.378 233 M HN 0.144 nan 8.290 nan 0.000 0.426 234 L N 0.640 121.867 121.223 0.007 0.000 2.058 234 L HA -0.279 4.062 4.340 0.000 0.000 0.226 234 L C -0.167 176.701 176.870 -0.003 0.000 1.089 234 L CA 2.113 56.956 54.840 0.004 0.000 0.799 234 L CB -2.717 39.344 42.059 0.003 0.000 0.900 234 L HN 0.206 nan 8.230 nan 0.000 0.442 235 P HA -0.125 nan 4.420 nan 0.000 0.215 235 P C 1.856 179.141 177.300 -0.026 0.000 1.157 235 P CA 1.598 64.689 63.100 -0.015 0.000 0.863 235 P CB 0.005 31.695 31.700 -0.016 0.000 0.787 236 V N 0.347 120.245 119.914 -0.027 0.000 2.379 236 V HA -0.174 3.946 4.120 0.000 0.000 0.245 236 V C 2.907 178.979 176.094 -0.037 0.000 1.044 236 V CA 1.277 63.550 62.300 -0.044 0.000 1.036 236 V CB -1.260 30.540 31.823 -0.039 0.000 0.664 236 V HN -0.025 nan 8.190 nan 0.000 0.453 237 L N -0.093 121.124 121.223 -0.010 0.000 2.042 237 L HA -0.234 4.106 4.340 0.000 0.000 0.210 237 L C 2.620 179.493 176.870 0.004 0.000 1.076 237 L CA 1.884 56.729 54.840 0.007 0.000 0.749 237 L CB -0.658 41.412 42.059 0.019 0.000 0.893 237 L HN 0.411 nan 8.230 nan 0.000 0.432 238 E N 0.063 120.260 120.200 -0.005 0.000 2.072 238 E HA -0.186 4.165 4.350 0.000 0.000 0.191 238 E C 2.308 178.899 176.600 -0.016 0.000 0.985 238 E CA 1.047 57.445 56.400 -0.004 0.000 0.801 238 E CB -0.189 29.507 29.700 -0.006 0.000 0.750 238 E HN 0.497 nan 8.360 nan 0.000 0.452 239 A N 0.989 123.785 122.820 -0.041 0.000 2.019 239 A HA -0.131 4.190 4.320 0.000 0.000 0.219 239 A C 2.387 179.919 177.584 -0.086 0.000 1.164 239 A CA 1.088 53.081 52.037 -0.072 0.000 0.644 239 A CB -0.340 18.593 19.000 -0.111 0.000 0.805 239 A HN 0.121 nan 8.150 nan 0.000 0.449 240 V N -0.686 119.191 119.914 -0.062 0.000 2.951 240 V HA -0.056 4.064 4.120 0.000 0.000 0.255 240 V C 2.874 179.013 176.094 0.074 0.000 1.088 240 V CA 1.140 63.443 62.300 0.005 0.000 1.109 240 V CB -0.858 30.995 31.823 0.050 0.000 0.724 240 V HN 0.581 nan 8.190 nan 0.000 0.471 241 A N 0.141 122.985 122.820 0.040 0.000 1.917 241 A HA -0.178 4.142 4.320 0.000 0.000 0.219 241 A C 1.600 179.215 177.584 0.052 0.000 1.182 241 A CA 1.394 53.458 52.037 0.044 0.000 0.633 241 A CB -0.235 18.781 19.000 0.026 0.000 0.819 241 A HN 0.550 nan 8.150 nan 0.000 0.448 242 K N -3.035 117.391 120.400 0.043 0.000 2.318 242 K HA 0.467 4.787 4.320 0.000 0.000 0.243 242 K C 1.140 177.795 176.600 0.093 0.000 1.047 242 K CA 0.119 56.436 56.287 0.049 0.000 0.937 242 K CB 0.140 32.658 32.500 0.029 0.000 1.225 242 K HN 0.686 nan 8.250 nan 0.000 0.506 243 A N -0.136 122.741 122.820 0.095 0.000 4.115 243 A HA -0.229 4.092 4.320 0.000 0.000 0.268 243 A C 1.150 178.808 177.584 0.124 0.000 0.917 243 A CA 1.670 53.793 52.037 0.143 0.000 1.090 243 A CB -2.486 16.680 19.000 0.278 0.000 1.067 243 A HN 1.396 nan 8.150 nan 0.000 0.828 244 G N -0.943 107.920 108.800 0.105 0.000 2.393 244 G HA2 -0.239 3.721 3.960 0.000 0.000 0.299 244 G HA3 -0.239 3.721 3.960 0.000 0.000 0.299 244 G C -0.117 174.822 174.900 0.065 0.000 0.990 244 G CA 1.467 46.612 45.100 0.075 0.000 1.118 244 G HN 1.175 nan 8.290 nan 0.000 0.513 245 K N 0.485 120.951 120.400 0.109 0.000 2.375 245 K HA 0.538 4.859 4.320 0.000 0.000 0.249 245 K C -2.268 174.385 176.600 0.090 0.000 0.942 245 K CA -2.068 54.237 56.287 0.031 0.000 0.806 245 K CB 2.925 35.331 32.500 -0.157 0.000 1.227 245 K HN 0.081 nan 8.250 nan 0.000 0.430 246 P HA 0.145 nan 4.420 nan 0.000 0.274 246 P C -1.178 176.183 177.300 0.101 0.000 1.246 246 P CA -0.568 62.569 63.100 0.061 0.000 0.795 246 P CB 0.741 32.458 31.700 0.028 0.000 1.006 247 L N 1.511 122.795 121.223 0.101 0.000 2.385 247 L HA 0.525 4.865 4.340 0.000 0.000 0.273 247 L C -1.325 175.579 176.870 0.056 0.000 0.990 247 L CA -0.982 53.928 54.840 0.118 0.000 0.821 247 L CB 1.596 43.729 42.059 0.124 0.000 1.279 247 L HN 0.166 nan 8.230 nan 0.000 0.412 248 L N 6.070 127.326 121.223 0.056 0.000 2.287 248 L HA 0.601 4.941 4.340 0.000 0.000 0.287 248 L C -1.136 175.750 176.870 0.026 0.000 1.022 248 L CA -0.177 54.673 54.840 0.016 0.000 0.814 248 L CB 1.137 43.214 42.059 0.029 0.000 1.217 248 L HN 0.435 nan 8.230 nan 0.000 0.420 249 I N 7.276 127.841 120.570 -0.008 0.000 2.307 249 I HA 0.279 4.449 4.170 0.000 0.000 0.289 249 I C -0.101 176.030 176.117 0.024 0.000 1.021 249 I CA -0.133 61.172 61.300 0.009 0.000 1.224 249 I CB 0.918 38.918 38.000 -0.001 0.000 1.376 249 I HN 0.568 nan 8.210 nan 0.000 0.470 250 I N 6.208 126.804 120.570 0.043 0.000 2.442 250 I HA 0.457 4.627 4.170 0.000 0.000 0.279 250 I C 0.415 176.550 176.117 0.029 0.000 1.081 250 I CA -0.172 61.163 61.300 0.058 0.000 1.197 250 I CB 0.881 38.918 38.000 0.061 0.000 1.394 250 I HN 0.604 nan 8.210 nan 0.000 0.488 251 A N 3.896 126.737 122.820 0.035 0.000 2.344 251 A HA 0.426 4.746 4.320 0.000 0.000 0.307 251 A C 1.032 178.636 177.584 0.033 0.000 1.151 251 A CA -0.531 51.522 52.037 0.027 0.000 0.842 251 A CB 1.213 20.231 19.000 0.029 0.000 1.350 251 A HN 0.667 nan 8.150 nan 0.000 0.459 252 E N -0.745 119.473 120.200 0.029 0.000 2.209 252 E HA -0.130 4.221 4.350 0.000 0.000 0.196 252 E C -0.514 176.116 176.600 0.050 0.000 0.993 252 E CA 1.553 57.976 56.400 0.038 0.000 0.819 252 E CB 0.107 29.828 29.700 0.035 0.000 0.745 252 E HN 0.632 nan 8.360 nan 0.000 0.477 253 D N -2.260 118.170 120.400 0.049 0.000 2.954 253 D HA 0.026 4.666 4.640 0.000 0.000 0.260 253 D C -1.969 174.365 176.300 0.057 0.000 1.072 253 D CA -0.431 53.603 54.000 0.057 0.000 0.735 253 D CB 1.187 42.020 40.800 0.055 0.000 1.934 253 D HN -0.135 nan 8.370 nan 0.000 0.458 254 V N 3.232 123.188 119.914 0.070 0.000 2.304 254 V HA 0.395 4.515 4.120 0.000 0.000 0.278 254 V C 0.198 176.342 176.094 0.083 0.000 1.018 254 V CA -0.579 61.767 62.300 0.076 0.000 0.814 254 V CB 1.089 32.968 31.823 0.093 0.000 1.021 254 V HN 0.430 nan 8.190 nan 0.000 0.440 255 E N 2.678 122.918 120.200 0.066 0.000 2.345 255 E HA 0.385 4.735 4.350 0.000 0.000 0.259 255 E C 1.449 178.085 176.600 0.060 0.000 1.117 255 E CA 0.157 56.593 56.400 0.060 0.000 0.913 255 E CB 1.094 30.821 29.700 0.046 0.000 1.057 255 E HN 0.659 nan 8.360 nan 0.000 0.432 256 G N 1.880 110.712 108.800 0.053 0.000 3.051 256 G HA2 -0.456 3.504 3.960 0.000 0.000 0.266 256 G HA3 -0.456 3.504 3.960 0.000 0.000 0.266 256 G C 1.294 176.217 174.900 0.039 0.000 1.060 256 G CA 1.463 46.590 45.100 0.045 0.000 0.757 256 G HN 0.681 nan 8.290 nan 0.000 0.926 257 E N 1.047 121.266 120.200 0.031 0.000 2.072 257 E HA -0.273 4.078 4.350 0.000 0.000 0.218 257 E C 2.965 179.585 176.600 0.032 0.000 1.051 257 E CA 2.220 58.635 56.400 0.025 0.000 0.880 257 E CB -0.937 28.776 29.700 0.022 0.000 0.783 257 E HN 0.449 nan 8.360 nan 0.000 0.473 258 A N 0.837 123.682 122.820 0.042 0.000 1.902 258 A HA -0.176 4.145 4.320 0.000 0.000 0.217 258 A C 2.349 179.978 177.584 0.076 0.000 1.181 258 A CA 1.705 53.774 52.037 0.052 0.000 0.623 258 A CB -0.759 18.272 19.000 0.053 0.000 0.818 258 A HN 0.355 nan 8.150 nan 0.000 0.443 259 L N -0.170 121.107 121.223 0.091 0.000 2.017 259 L HA -0.067 4.273 4.340 0.000 0.000 0.208 259 L C 2.715 179.641 176.870 0.093 0.000 1.073 259 L CA 2.256 57.178 54.840 0.137 0.000 0.745 259 L CB -0.891 41.255 42.059 0.145 0.000 0.894 259 L HN 0.352 nan 8.230 nan 0.000 0.432 260 A N -1.508 121.339 122.820 0.044 0.000 1.917 260 A HA -0.259 4.061 4.320 0.000 0.000 0.219 260 A C 2.267 179.839 177.584 -0.021 0.000 1.182 260 A CA 2.557 54.590 52.037 -0.006 0.000 0.633 260 A CB -1.320 17.675 19.000 -0.008 0.000 0.819 260 A HN 0.548 nan 8.150 nan 0.000 0.448 261 T N 0.536 115.096 114.554 0.009 0.000 2.708 261 T HA -0.099 4.252 4.350 0.000 0.000 0.266 261 T C 1.824 176.537 174.700 0.021 0.000 1.037 261 T CA 1.496 63.601 62.100 0.007 0.000 1.146 261 T CB -0.446 68.435 68.868 0.021 0.000 0.865 261 T HN 0.387 nan 8.240 nan 0.000 0.435 262 L N 0.875 122.142 121.223 0.072 0.000 2.042 262 L HA -0.117 4.224 4.340 0.000 0.000 0.210 262 L C 2.682 179.603 176.870 0.085 0.000 1.076 262 L CA 0.973 55.897 54.840 0.141 0.000 0.749 262 L CB -0.865 41.358 42.059 0.274 0.000 0.893 262 L HN 0.156 nan 8.230 nan 0.000 0.432 263 V N -0.799 119.086 119.914 -0.049 0.000 2.343 263 V HA -0.230 3.890 4.120 0.000 0.000 0.247 263 V C 2.386 178.341 176.094 -0.232 0.000 1.051 263 V CA 1.511 63.640 62.300 -0.286 0.000 1.036 263 V CB -0.295 31.310 31.823 -0.362 0.000 0.654 263 V HN 0.207 nan 8.190 nan 0.000 0.451 264 V N 0.532 120.353 119.914 -0.156 0.000 2.323 264 V HA -0.235 3.885 4.120 0.000 0.000 0.244 264 V C 2.090 178.138 176.094 -0.076 0.000 1.041 264 V CA 2.348 64.569 62.300 -0.132 0.000 1.025 264 V CB -0.968 30.797 31.823 -0.097 0.000 0.656 264 V HN 0.606 nan 8.190 nan 0.000 0.451 265 N N 0.687 119.368 118.700 -0.033 0.000 2.058 265 N HA -0.174 4.566 4.740 0.000 0.000 0.191 265 N C 1.867 177.382 175.510 0.008 0.000 1.037 265 N CA 1.882 54.930 53.050 -0.004 0.000 0.848 265 N CB -0.290 38.209 38.487 0.020 0.000 1.021 265 N HN 0.645 nan 8.380 nan 0.000 0.422 266 T N -1.125 113.447 114.554 0.030 0.000 3.051 266 T HA -0.042 4.308 4.350 0.000 0.000 0.269 266 T C 1.638 176.346 174.700 0.013 0.000 1.127 266 T CA 0.591 62.724 62.100 0.056 0.000 1.107 266 T CB -0.037 68.918 68.868 0.146 0.000 0.898 266 T HN 0.048 nan 8.240 nan 0.000 0.517 267 M N 0.803 120.380 119.600 -0.040 0.000 2.447 267 M HA 0.290 4.770 4.480 0.000 0.000 0.264 267 M C 1.726 178.003 176.300 -0.039 0.000 1.095 267 M CA 0.963 56.223 55.300 -0.066 0.000 1.125 267 M CB -0.008 32.508 32.600 -0.141 0.000 1.389 267 M HN 0.057 nan 8.290 nan 0.000 0.459 268 R N -0.849 119.635 120.500 -0.028 0.000 2.515 268 R HA 0.380 4.720 4.340 0.000 0.000 0.294 268 R C 0.993 177.291 176.300 -0.003 0.000 1.021 268 R CA 0.478 56.567 56.100 -0.018 0.000 1.081 268 R CB -0.120 30.168 30.300 -0.020 0.000 1.263 268 R HN 0.514 nan 8.270 nan 0.000 0.557 269 G N 1.655 110.459 108.800 0.006 0.000 2.196 269 G HA2 -0.306 3.654 3.960 0.000 0.000 0.268 269 G HA3 -0.306 3.654 3.960 0.000 0.000 0.268 269 G C 0.360 175.272 174.900 0.020 0.000 0.975 269 G CA 0.099 45.209 45.100 0.015 0.000 0.648 269 G HN 0.378 nan 8.290 nan 0.000 0.538 270 I N 1.626 122.206 120.570 0.018 0.000 2.349 270 I HA 0.344 4.515 4.170 0.000 0.000 0.302 270 I C 0.781 176.919 176.117 0.035 0.000 1.180 270 I CA -0.288 61.025 61.300 0.021 0.000 1.405 270 I CB -0.120 37.888 38.000 0.014 0.000 1.474 270 I HN 0.125 nan 8.210 nan 0.000 0.632 271 V N 4.232 124.171 119.914 0.041 0.000 3.493 271 V HA -0.228 3.892 4.120 0.000 0.000 0.498 271 V C -0.041 176.095 176.094 0.069 0.000 0.682 271 V CA 0.243 62.576 62.300 0.055 0.000 2.046 271 V CB -0.933 30.924 31.823 0.056 0.000 2.479 271 V HN 0.725 nan 8.190 nan 0.000 0.507 272 K N 4.269 124.713 120.400 0.073 0.000 2.284 272 K HA 0.698 5.018 4.320 0.000 0.000 0.287 272 K C -0.490 176.167 176.600 0.095 0.000 1.081 272 K CA -0.200 56.139 56.287 0.087 0.000 0.910 272 K CB 1.510 34.052 32.500 0.069 0.000 1.088 272 K HN 0.557 nan 8.250 nan 0.000 0.478 273 V N 1.580 121.571 119.914 0.129 0.000 2.760 273 V HA 0.802 4.922 4.120 0.000 0.000 0.309 273 V C -0.807 175.319 176.094 0.053 0.000 1.077 273 V CA -1.112 61.245 62.300 0.095 0.000 0.910 273 V CB 1.995 33.880 31.823 0.103 0.000 1.008 273 V HN 0.759 nan 8.190 nan 0.000 0.424 274 A N 3.076 125.788 122.820 -0.180 0.000 2.386 274 A HA 1.023 5.343 4.320 0.000 0.000 0.311 274 A C -0.456 176.796 177.584 -0.554 0.000 1.068 274 A CA -0.280 51.339 52.037 -0.697 0.000 0.743 274 A CB 1.896 20.652 19.000 -0.407 0.000 1.258 274 A HN 1.567 nan 8.150 nan 0.000 0.429 275 A N 0.859 123.208 122.820 -0.785 0.000 2.386 275 A HA 0.833 5.153 4.320 0.000 0.000 0.311 275 A C -0.440 177.053 177.584 -0.153 0.000 1.068 275 A CA -0.112 51.752 52.037 -0.288 0.000 0.743 275 A CB 1.325 20.250 19.000 -0.124 0.000 1.258 275 A HN 2.306 nan 8.150 nan 0.000 0.429 276 V N -0.647 119.252 119.914 -0.025 0.000 3.049 276 V HA 0.629 4.749 4.120 0.000 0.000 0.309 276 V C -0.529 175.625 176.094 0.101 0.000 1.148 276 V CA -1.217 61.111 62.300 0.046 0.000 0.990 276 V CB 1.530 33.383 31.823 0.051 0.000 1.039 276 V HN 0.877 nan 8.190 nan 0.000 0.430 277 K N 1.951 122.419 120.400 0.113 0.000 2.276 277 K HA 0.653 4.974 4.320 0.000 0.000 0.259 277 K C 0.402 177.094 176.600 0.153 0.000 1.001 277 K CA 0.298 56.653 56.287 0.113 0.000 0.927 277 K CB 1.146 33.705 32.500 0.097 0.000 0.969 277 K HN 1.129 nan 8.250 nan 0.000 0.490 278 A N 3.683 126.551 122.820 0.080 0.000 2.425 278 A HA 0.248 4.568 4.320 0.000 0.000 0.249 278 A C -2.065 175.527 177.584 0.013 0.000 1.084 278 A CA -1.282 50.754 52.037 -0.001 0.000 0.781 278 A CB -0.279 18.701 19.000 -0.032 0.000 1.019 278 A HN 0.463 nan 8.150 nan 0.000 0.490 279 P HA 0.337 nan 4.420 nan 0.000 0.269 279 P C 0.690 178.008 177.300 0.030 0.000 1.209 279 P CA 1.465 64.562 63.100 -0.005 0.000 0.776 279 P CB 0.505 32.094 31.700 -0.185 0.000 0.876 280 G N 1.894 110.765 108.800 0.118 0.000 2.752 280 G HA2 -0.042 3.918 3.960 0.000 0.000 0.234 280 G HA3 -0.042 3.918 3.960 0.000 0.000 0.234 280 G C -0.812 174.260 174.900 0.288 0.000 1.367 280 G CA 0.015 45.231 45.100 0.194 0.000 0.879 280 G HN 0.760 nan 8.290 nan 0.000 0.563 281 F N -2.323 117.638 119.950 0.019 0.000 2.685 281 F HA 0.841 5.368 4.527 0.000 0.000 0.315 281 F C 0.972 176.785 175.800 0.021 0.000 1.126 281 F CA 0.175 58.187 58.000 0.020 0.000 0.950 281 F CB 0.951 39.968 39.000 0.028 0.000 1.360 281 F HN 2.500 nan 8.300 nan 0.000 0.469 282 G N 1.388 110.124 108.800 -0.107 0.000 2.550 282 G HA2 -0.288 3.672 3.960 0.000 0.000 0.277 282 G HA3 -0.288 3.672 3.960 0.000 0.000 0.277 282 G C 0.323 175.124 174.900 -0.166 0.000 1.190 282 G CA 0.590 45.564 45.100 -0.210 0.000 0.971 282 G HN 0.862 nan 8.290 nan 0.000 0.559 283 D N 1.117 121.405 120.400 -0.186 0.000 2.077 283 D HA -0.106 4.534 4.640 0.000 0.000 0.196 283 D C 2.523 178.751 176.300 -0.120 0.000 0.986 283 D CA 1.758 55.685 54.000 -0.122 0.000 0.829 283 D CB -0.395 40.343 40.800 -0.102 0.000 0.983 283 D HN 0.735 nan 8.370 nan 0.000 0.453 284 R N 1.483 121.890 120.500 -0.154 0.000 2.185 284 R HA -0.165 4.175 4.340 0.000 0.000 0.247 284 R C 2.211 178.451 176.300 -0.100 0.000 1.159 284 R CA 1.327 57.352 56.100 -0.125 0.000 0.988 284 R CB -0.527 29.689 30.300 -0.140 0.000 0.871 284 R HN 0.117 nan 8.270 nan 0.000 0.458 285 R N 1.589 122.030 120.500 -0.098 0.000 2.080 285 R HA -0.164 4.176 4.340 0.000 0.000 0.236 285 R C 1.736 177.997 176.300 -0.065 0.000 1.137 285 R CA 2.251 58.316 56.100 -0.059 0.000 0.943 285 R CB -0.116 30.170 30.300 -0.022 0.000 0.846 285 R HN 0.339 nan 8.270 nan 0.000 0.431 286 K N -0.049 120.315 120.400 -0.059 0.000 2.057 286 K HA -0.107 4.213 4.320 0.000 0.000 0.207 286 K C 2.175 178.740 176.600 -0.059 0.000 1.049 286 K CA 1.485 57.741 56.287 -0.052 0.000 0.931 286 K CB -0.214 32.260 32.500 -0.043 0.000 0.714 286 K HN 0.267 nan 8.250 nan 0.000 0.440 287 A N 1.353 124.135 122.820 -0.064 0.000 1.933 287 A HA -0.154 4.166 4.320 0.000 0.000 0.218 287 A C 2.152 179.693 177.584 -0.072 0.000 1.175 287 A CA 1.535 53.535 52.037 -0.062 0.000 0.628 287 A CB -0.461 18.501 19.000 -0.063 0.000 0.814 287 A HN 0.189 nan 8.150 nan 0.000 0.444 288 M N -1.033 118.515 119.600 -0.087 0.000 2.156 288 M HA -0.010 4.470 4.480 0.000 0.000 0.264 288 M C 2.224 178.439 176.300 -0.140 0.000 1.067 288 M CA 1.157 56.389 55.300 -0.113 0.000 1.131 288 M CB -0.379 32.146 32.600 -0.125 0.000 1.368 288 M HN 0.442 nan 8.290 nan 0.000 0.416 289 L N 0.291 121.437 121.223 -0.129 0.000 2.127 289 L HA -0.274 4.066 4.340 0.000 0.000 0.211 289 L C 2.585 179.398 176.870 -0.095 0.000 1.089 289 L CA 1.461 56.223 54.840 -0.129 0.000 0.757 289 L CB -0.221 41.784 42.059 -0.089 0.000 0.899 289 L HN 0.341 nan 8.230 nan 0.000 0.434 290 Q N -0.068 119.688 119.800 -0.074 0.000 2.123 290 Q HA -0.202 4.138 4.340 0.000 0.000 0.199 290 Q C 1.718 177.686 176.000 -0.052 0.000 0.966 290 Q CA 1.726 57.497 55.803 -0.053 0.000 0.845 290 Q CB -0.115 28.596 28.738 -0.044 0.000 0.907 290 Q HN 0.447 nan 8.270 nan 0.000 0.439 291 D N -0.024 120.338 120.400 -0.064 0.000 2.123 291 D HA -0.164 4.476 4.640 0.000 0.000 0.196 291 D C 1.862 178.132 176.300 -0.050 0.000 0.992 291 D CA 1.443 55.411 54.000 -0.054 0.000 0.833 291 D CB -0.097 40.667 40.800 -0.061 0.000 0.954 291 D HN 0.385 nan 8.370 nan 0.000 0.455 292 I N 1.398 121.921 120.570 -0.077 0.000 2.226 292 I HA -0.264 3.906 4.170 0.000 0.000 0.245 292 I C 2.641 178.742 176.117 -0.026 0.000 1.100 292 I CA 0.998 62.261 61.300 -0.061 0.000 1.374 292 I CB -0.311 37.619 38.000 -0.116 0.000 1.057 292 I HN -0.085 nan 8.210 nan 0.000 0.413 293 A N 0.656 123.458 122.820 -0.031 0.000 1.883 293 A HA -0.231 4.089 4.320 0.000 0.000 0.217 293 A C 2.389 179.971 177.584 -0.004 0.000 1.186 293 A CA 2.643 54.672 52.037 -0.012 0.000 0.624 293 A CB -1.220 17.770 19.000 -0.017 0.000 0.822 293 A HN 0.408 nan 8.150 nan 0.000 0.444 294 T N 0.248 114.795 114.554 -0.011 0.000 2.833 294 T HA -0.095 4.256 4.350 0.000 0.000 0.269 294 T C 1.791 176.491 174.700 -0.000 0.000 1.054 294 T CA 1.211 63.307 62.100 -0.006 0.000 1.135 294 T CB -0.223 68.638 68.868 -0.012 0.000 0.869 294 T HN 0.294 nan 8.240 nan 0.000 0.466 295 L N 1.895 123.118 121.223 0.000 0.000 2.072 295 L HA -0.017 4.323 4.340 0.000 0.000 0.205 295 L C 2.426 179.305 176.870 0.015 0.000 1.079 295 L CA 2.188 57.032 54.840 0.008 0.000 0.752 295 L CB -1.309 40.756 42.059 0.011 0.000 0.906 295 L HN 0.416 nan 8.230 nan 0.000 0.436 296 T N -3.737 110.828 114.554 0.020 0.000 3.107 296 T HA 0.212 4.562 4.350 0.000 0.000 0.249 296 T C 1.297 176.018 174.700 0.034 0.000 1.096 296 T CA 0.430 62.547 62.100 0.029 0.000 1.012 296 T CB -0.128 68.764 68.868 0.040 0.000 0.977 296 T HN 0.551 nan 8.240 nan 0.000 0.527 297 G N 0.553 109.368 108.800 0.025 0.000 2.176 297 G HA2 -0.032 3.929 3.960 0.000 0.000 0.252 297 G HA3 -0.032 3.929 3.960 0.000 0.000 0.252 297 G C 0.388 175.308 174.900 0.034 0.000 1.024 297 G CA -0.113 45.003 45.100 0.027 0.000 0.755 297 G HN 1.018 nan 8.290 nan 0.000 0.507 298 G N -1.700 107.118 108.800 0.030 0.000 2.568 298 G HA2 0.748 4.708 3.960 0.000 0.000 0.293 298 G HA3 0.748 4.708 3.960 0.000 0.000 0.293 298 G C -0.405 174.502 174.900 0.012 0.000 1.347 298 G CA 0.253 45.371 45.100 0.030 0.000 1.039 298 G HN 0.696 nan 8.290 nan 0.000 0.523 299 T N 0.021 114.579 114.554 0.007 0.000 2.879 299 T HA 0.392 4.742 4.350 0.000 0.000 0.290 299 T C -0.186 174.510 174.700 -0.006 0.000 0.993 299 T CA -0.280 61.819 62.100 -0.002 0.000 0.975 299 T CB 1.676 70.541 68.868 -0.004 0.000 0.981 299 T HN 0.355 nan 8.240 nan 0.000 0.439 300 V N 4.686 124.594 119.914 -0.011 0.000 2.585 300 V HA 0.212 4.333 4.120 0.000 0.000 0.296 300 V C 0.387 176.475 176.094 -0.011 0.000 1.035 300 V CA -0.042 62.250 62.300 -0.014 0.000 1.084 300 V CB 0.209 32.020 31.823 -0.020 0.000 0.953 300 V HN 0.765 nan 8.190 nan 0.000 0.483 301 I N 5.449 126.014 120.570 -0.009 0.000 2.361 301 I HA 0.254 4.424 4.170 0.000 0.000 0.282 301 I C 0.391 176.504 176.117 -0.007 0.000 1.075 301 I CA 0.118 61.413 61.300 -0.008 0.000 1.205 301 I CB 0.693 38.689 38.000 -0.007 0.000 1.406 301 I HN 0.721 nan 8.210 nan 0.000 0.481 302 S N 2.812 118.507 115.700 -0.008 0.000 2.509 302 S HA 0.389 4.859 4.470 0.000 0.000 0.297 302 S C 0.598 175.195 174.600 -0.005 0.000 1.118 302 S CA -0.835 57.361 58.200 -0.006 0.000 1.074 302 S CB 2.065 65.259 63.200 -0.009 0.000 1.038 302 S HN 0.549 nan 8.310 nan 0.000 0.498 303 E N 1.180 121.379 120.200 -0.002 0.000 2.347 303 E HA -0.113 4.237 4.350 0.000 0.000 0.196 303 E C 1.266 177.865 176.600 -0.002 0.000 1.008 303 E CA 0.720 57.119 56.400 -0.001 0.000 0.852 303 E CB -0.056 29.645 29.700 0.002 0.000 0.783 303 E HN 0.784 nan 8.360 nan 0.000 0.505 304 E N 0.509 120.707 120.200 -0.004 0.000 2.209 304 E HA -0.144 4.206 4.350 0.000 0.000 0.196 304 E C 1.370 177.967 176.600 -0.005 0.000 0.993 304 E CA 0.766 57.164 56.400 -0.005 0.000 0.819 304 E CB 0.035 29.731 29.700 -0.007 0.000 0.745 304 E HN 0.337 nan 8.360 nan 0.000 0.477 305 I N 0.001 120.568 120.570 -0.006 0.000 3.891 305 I HA 0.165 4.335 4.170 0.000 0.000 0.331 305 I C 0.745 176.859 176.117 -0.005 0.000 1.406 305 I CA -0.167 61.130 61.300 -0.006 0.000 1.139 305 I CB 0.300 38.296 38.000 -0.008 0.000 1.056 305 I HN 0.053 nan 8.210 nan 0.000 0.399 306 G N 2.206 111.003 108.800 -0.004 0.000 2.338 306 G HA2 -0.282 3.678 3.960 0.000 0.000 0.296 306 G HA3 -0.282 3.678 3.960 0.000 0.000 0.296 306 G C 0.011 174.909 174.900 -0.004 0.000 1.040 306 G CA 0.138 45.236 45.100 -0.004 0.000 1.004 306 G HN 0.365 nan 8.290 nan 0.000 0.509 307 M N -0.310 119.287 119.600 -0.005 0.000 2.423 307 M HA 0.528 5.008 4.480 0.000 0.000 0.335 307 M C 0.247 176.544 176.300 -0.005 0.000 1.177 307 M CA -0.369 54.928 55.300 -0.006 0.000 1.038 307 M CB 1.678 34.273 32.600 -0.007 0.000 1.641 307 M HN 0.245 nan 8.290 nan 0.000 0.455 308 E N 1.694 121.890 120.200 -0.006 0.000 2.227 308 E HA 0.328 4.678 4.350 0.000 0.000 0.268 308 E C 0.162 176.758 176.600 -0.007 0.000 0.907 308 E CA -0.534 55.864 56.400 -0.005 0.000 0.786 308 E CB 2.316 32.014 29.700 -0.005 0.000 1.191 308 E HN 0.658 nan 8.360 nan 0.000 0.411 309 L N 1.506 122.726 121.223 -0.005 0.000 2.201 309 L HA -0.160 4.180 4.340 0.000 0.000 0.212 309 L C 1.619 178.483 176.870 -0.011 0.000 1.105 309 L CA 1.047 55.883 54.840 -0.007 0.000 0.775 309 L CB -0.224 41.835 42.059 -0.001 0.000 0.913 309 L HN 0.531 nan 8.230 nan 0.000 0.440 310 E N 0.662 120.857 120.200 -0.008 0.000 2.110 310 E HA -0.146 4.205 4.350 0.000 0.000 0.193 310 E C 0.943 177.534 176.600 -0.015 0.000 0.988 310 E CA 1.064 57.458 56.400 -0.010 0.000 0.804 310 E CB -0.053 29.643 29.700 -0.007 0.000 0.745 310 E HN 0.313 nan 8.360 nan 0.000 0.458 311 K N 0.486 120.878 120.400 -0.014 0.000 3.141 311 K HA 0.437 4.758 4.320 0.000 0.000 0.248 311 K C -0.783 175.804 176.600 -0.021 0.000 1.282 311 K CA -0.207 56.070 56.287 -0.017 0.000 1.251 311 K CB 0.821 33.313 32.500 -0.013 0.000 1.533 311 K HN -0.029 nan 8.250 nan 0.000 0.409 312 A N 1.247 124.051 122.820 -0.028 0.000 2.335 312 A HA 0.390 4.710 4.320 0.000 0.000 0.304 312 A C 0.086 177.637 177.584 -0.055 0.000 1.118 312 A CA -0.683 51.332 52.037 -0.036 0.000 0.757 312 A CB 0.711 19.692 19.000 -0.032 0.000 1.188 312 A HN 0.296 nan 8.150 nan 0.000 0.460 313 T N 0.048 114.565 114.554 -0.062 0.000 2.936 313 T HA 0.508 4.858 4.350 0.000 0.000 0.282 313 T C 1.117 175.736 174.700 -0.136 0.000 1.003 313 T CA -0.751 61.297 62.100 -0.088 0.000 1.005 313 T CB 0.532 69.360 68.868 -0.067 0.000 1.097 313 T HN 0.383 nan 8.240 nan 0.000 0.532 314 L N -0.007 121.095 121.223 -0.202 0.000 2.447 314 L HA -0.060 4.281 4.340 0.000 0.000 0.225 314 L C 2.723 179.462 176.870 -0.219 0.000 1.148 314 L CA 1.390 56.014 54.840 -0.360 0.000 0.808 314 L CB -0.588 41.193 42.059 -0.462 0.000 0.928 314 L HN 0.870 nan 8.230 nan 0.000 0.448 315 E N 0.123 120.257 120.200 -0.110 0.000 2.230 315 E HA -0.168 4.182 4.350 0.000 0.000 0.192 315 E C 1.369 177.954 176.600 -0.025 0.000 0.987 315 E CA 0.708 57.081 56.400 -0.044 0.000 0.841 315 E CB 0.270 29.953 29.700 -0.029 0.000 0.783 315 E HN 0.465 nan 8.360 nan 0.000 0.481 316 D N 0.288 120.664 120.400 -0.041 0.000 2.194 316 D HA -0.057 4.583 4.640 0.000 0.000 0.204 316 D C 0.292 176.588 176.300 -0.007 0.000 0.964 316 D CA 0.302 54.289 54.000 -0.022 0.000 0.846 316 D CB 0.127 40.910 40.800 -0.029 0.000 0.962 316 D HN 0.140 nan 8.370 nan 0.000 0.490 317 L N 1.121 122.330 121.223 -0.023 0.000 2.485 317 L HA 0.204 4.544 4.340 0.000 0.000 0.275 317 L C 1.444 178.381 176.870 0.111 0.000 1.207 317 L CA 0.307 55.166 54.840 0.031 0.000 0.855 317 L CB 0.455 42.501 42.059 -0.021 0.000 1.114 317 L HN -0.151 nan 8.230 nan 0.000 0.485 318 G N 1.480 110.353 108.800 0.120 0.000 2.557 318 G HA2 0.542 4.502 3.960 0.000 0.000 0.292 318 G HA3 0.542 4.502 3.960 0.000 0.000 0.292 318 G C -1.034 173.962 174.900 0.161 0.000 1.237 318 G CA -0.252 44.915 45.100 0.113 0.000 0.978 318 G HN 0.578 nan 8.290 nan 0.000 0.498 319 Q N -1.671 118.185 119.800 0.093 0.000 2.386 319 Q HA 0.561 4.901 4.340 0.000 0.000 0.274 319 Q C -1.436 174.562 176.000 -0.002 0.000 1.011 319 Q CA -0.766 55.057 55.803 0.034 0.000 0.867 319 Q CB 2.133 30.880 28.738 0.015 0.000 1.409 319 Q HN 1.007 nan 8.270 nan 0.000 0.395 320 A N 2.181 124.980 122.820 -0.035 0.000 2.572 320 A HA 0.432 4.753 4.320 0.000 0.000 0.295 320 A C -0.468 177.086 177.584 -0.049 0.000 1.072 320 A CA -0.622 51.400 52.037 -0.025 0.000 0.691 320 A CB 1.638 20.638 19.000 -0.000 0.000 1.291 320 A HN 0.835 nan 8.150 nan 0.000 0.404 321 K N -0.339 120.039 120.400 -0.037 0.000 2.280 321 K HA -0.054 4.267 4.320 0.000 0.000 0.202 321 K C 0.709 177.286 176.600 -0.038 0.000 1.047 321 K CA 1.425 57.687 56.287 -0.042 0.000 0.942 321 K CB 0.092 32.575 32.500 -0.028 0.000 0.739 321 K HN 0.565 nan 8.250 nan 0.000 0.457 322 R N -0.274 120.210 120.500 -0.026 0.000 2.644 322 R HA 0.163 4.503 4.340 0.000 0.000 0.257 322 R C -2.089 174.205 176.300 -0.011 0.000 1.082 322 R CA -0.580 55.508 56.100 -0.020 0.000 0.927 322 R CB 1.614 31.905 30.300 -0.015 0.000 1.258 322 R HN -0.060 nan 8.270 nan 0.000 0.459 323 V N 0.464 120.372 119.914 -0.010 0.000 2.760 323 V HA 0.820 4.941 4.120 0.000 0.000 0.309 323 V C -1.213 174.873 176.094 -0.013 0.000 1.077 323 V CA -0.699 61.595 62.300 -0.009 0.000 0.910 323 V CB 1.988 33.810 31.823 -0.001 0.000 1.008 323 V HN 0.434 nan 8.190 nan 0.000 0.424 324 V N 5.797 125.695 119.914 -0.026 0.000 2.604 324 V HA 0.684 4.804 4.120 0.000 0.000 0.305 324 V C -0.226 175.839 176.094 -0.048 0.000 1.043 324 V CA -0.443 61.844 62.300 -0.020 0.000 0.888 324 V CB 1.762 33.576 31.823 -0.015 0.000 0.995 324 V HN 1.062 nan 8.190 nan 0.000 0.429 325 I N 1.016 121.579 120.570 -0.013 0.000 2.534 325 I HA 0.678 4.848 4.170 0.000 0.000 0.288 325 I C -0.521 175.613 176.117 0.029 0.000 1.077 325 I CA -0.572 60.706 61.300 -0.038 0.000 1.051 325 I CB 2.113 40.096 38.000 -0.029 0.000 1.234 325 I HN 0.422 nan 8.210 nan 0.000 0.425 326 N N 4.564 123.210 118.700 -0.091 0.000 2.620 326 N HA 0.239 4.979 4.740 0.000 0.000 0.307 326 N C 0.649 175.854 175.510 -0.509 0.000 1.316 326 N CA -0.678 52.308 53.050 -0.107 0.000 0.931 326 N CB 0.708 39.137 38.487 -0.097 0.000 1.116 326 N HN 0.688 nan 8.380 nan 0.000 0.573 327 K N 0.102 120.228 120.400 -0.457 0.000 2.209 327 K HA -0.144 4.177 4.320 0.000 0.000 0.204 327 K C -0.569 175.702 176.600 -0.548 0.000 1.048 327 K CA 1.704 57.568 56.287 -0.706 0.000 0.940 327 K CB -0.008 32.366 32.500 -0.210 0.000 0.729 327 K HN 0.605 nan 8.250 nan 0.000 0.451 328 D N -1.210 118.986 120.400 -0.340 0.000 2.996 328 D HA 0.117 4.758 4.640 0.000 0.000 0.343 328 D C -1.062 175.122 176.300 -0.192 0.000 1.574 328 D CA -0.497 53.364 54.000 -0.231 0.000 0.773 328 D CB 0.769 41.483 40.800 -0.142 0.000 1.241 328 D HN -0.165 nan 8.370 nan 0.000 0.469 329 T N -0.253 114.157 114.554 -0.240 0.000 3.193 329 T HA 0.543 4.893 4.350 0.000 0.000 0.332 329 T C -1.144 173.356 174.700 -0.332 0.000 1.208 329 T CA -0.462 61.487 62.100 -0.251 0.000 1.080 329 T CB 2.083 70.851 68.868 -0.167 0.000 1.180 329 T HN -0.061 nan 8.240 nan 0.000 0.469 330 T N 2.262 116.479 114.554 -0.561 0.000 2.812 330 T HA 0.647 4.997 4.350 0.000 0.000 0.282 330 T C -0.476 173.906 174.700 -0.530 0.000 0.990 330 T CA -0.522 61.198 62.100 -0.634 0.000 0.960 330 T CB 1.591 69.803 68.868 -1.094 0.000 0.948 330 T HN 0.584 nan 8.240 nan 0.000 0.438 331 T N 4.016 118.423 114.554 -0.244 0.000 2.847 331 T HA 0.599 4.949 4.350 0.000 0.000 0.291 331 T C -0.518 174.161 174.700 -0.035 0.000 0.998 331 T CA -0.656 61.377 62.100 -0.111 0.000 0.967 331 T CB 0.035 68.859 68.868 -0.074 0.000 0.954 331 T HN 0.482 nan 8.240 nan 0.000 0.441 332 I N 6.524 127.112 120.570 0.030 0.000 2.304 332 I HA 0.407 4.577 4.170 0.000 0.000 0.291 332 I C -0.105 176.031 176.117 0.031 0.000 1.018 332 I CA -0.669 60.661 61.300 0.049 0.000 1.260 332 I CB 1.104 39.166 38.000 0.103 0.000 1.390 332 I HN 0.543 nan 8.210 nan 0.000 0.475 333 I N 5.858 126.436 120.570 0.014 0.000 2.339 333 I HA 0.211 4.381 4.170 0.000 0.000 0.290 333 I C -0.341 175.779 176.117 0.004 0.000 0.994 333 I CA -0.398 60.906 61.300 0.007 0.000 1.191 333 I CB 1.100 39.099 38.000 -0.000 0.000 1.343 333 I HN 0.617 nan 8.210 nan 0.000 0.458 334 D N 4.843 125.247 120.400 0.006 0.000 3.620 334 D HA -0.110 4.530 4.640 0.000 0.000 0.237 334 D C 0.145 176.446 176.300 0.002 0.000 1.111 334 D CA 0.908 54.909 54.000 0.002 0.000 1.070 334 D CB -0.147 40.651 40.800 -0.004 0.000 0.891 334 D HN 0.815 nan 8.370 nan 0.000 0.412 335 G N 0.871 109.677 108.800 0.009 0.000 2.476 335 G HA2 0.410 4.370 3.960 0.000 0.000 0.269 335 G HA3 0.410 4.370 3.960 0.000 0.000 0.269 335 G C 1.362 176.267 174.900 0.008 0.000 1.195 335 G CA -0.360 44.747 45.100 0.011 0.000 0.843 335 G HN 0.380 nan 8.290 nan 0.000 0.545 336 V N 1.919 121.839 119.914 0.010 0.000 2.667 336 V HA 0.014 4.134 4.120 0.000 0.000 0.252 336 V C 2.282 178.385 176.094 0.014 0.000 1.065 336 V CA 1.108 63.415 62.300 0.012 0.000 1.083 336 V CB -1.260 30.575 31.823 0.020 0.000 0.692 336 V HN 0.897 nan 8.190 nan 0.000 0.468 337 G N 0.976 109.786 108.800 0.016 0.000 2.497 337 G HA2 -0.087 3.873 3.960 0.000 0.000 0.228 337 G HA3 -0.087 3.873 3.960 0.000 0.000 0.228 337 G C -0.111 174.794 174.900 0.009 0.000 1.190 337 G CA -0.076 45.031 45.100 0.013 0.000 0.857 337 G HN 0.567 nan 8.290 nan 0.000 0.526 338 E N 1.398 121.602 120.200 0.008 0.000 2.283 338 E HA 0.094 4.444 4.350 0.000 0.000 0.278 338 E C 0.913 177.515 176.600 0.003 0.000 1.027 338 E CA -0.348 56.055 56.400 0.006 0.000 0.843 338 E CB 1.563 31.266 29.700 0.006 0.000 1.062 338 E HN 0.685 nan 8.360 nan 0.000 0.401 339 E N 1.825 122.027 120.200 0.003 0.000 2.233 339 E HA -0.301 4.049 4.350 0.000 0.000 0.199 339 E C 1.695 178.295 176.600 0.000 0.000 1.004 339 E CA 1.185 57.586 56.400 0.001 0.000 0.819 339 E CB -0.075 29.626 29.700 0.001 0.000 0.738 339 E HN 0.589 nan 8.360 nan 0.000 0.478 340 A N 1.655 124.475 122.820 0.001 0.000 1.841 340 A HA -0.093 4.228 4.320 0.000 0.000 0.214 340 A C 2.451 180.034 177.584 -0.001 0.000 1.195 340 A CA 1.701 53.737 52.037 -0.000 0.000 0.611 340 A CB -0.784 18.216 19.000 0.000 0.000 0.835 340 A HN 0.304 nan 8.150 nan 0.000 0.443 341 A N -0.104 122.715 122.820 -0.001 0.000 1.883 341 A HA -0.103 4.217 4.320 0.000 0.000 0.217 341 A C 2.164 179.746 177.584 -0.004 0.000 1.186 341 A CA 1.637 53.672 52.037 -0.002 0.000 0.624 341 A CB -0.708 18.291 19.000 -0.001 0.000 0.822 341 A HN 0.512 nan 8.150 nan 0.000 0.444 342 I N -1.022 119.547 120.570 -0.002 0.000 2.113 342 I HA -0.287 3.883 4.170 0.000 0.000 0.238 342 I C 2.776 178.890 176.117 -0.005 0.000 1.070 342 I CA 1.910 63.208 61.300 -0.003 0.000 1.332 342 I CB -0.443 37.557 38.000 -0.001 0.000 1.044 342 I HN 0.361 nan 8.210 nan 0.000 0.402 343 Q N 1.374 121.172 119.800 -0.004 0.000 2.181 343 Q HA -0.136 4.204 4.340 0.000 0.000 0.205 343 Q C 1.982 177.979 176.000 -0.006 0.000 0.980 343 Q CA 1.990 57.790 55.803 -0.004 0.000 0.862 343 Q CB -0.703 28.033 28.738 -0.003 0.000 0.905 343 Q HN 0.518 nan 8.270 nan 0.000 0.429 344 G N -0.185 108.612 108.800 -0.006 0.000 2.402 344 G HA2 -0.288 3.673 3.960 0.000 0.000 0.216 344 G HA3 -0.288 3.673 3.960 0.000 0.000 0.216 344 G C 1.553 176.447 174.900 -0.009 0.000 1.162 344 G CA 0.726 45.822 45.100 -0.007 0.000 0.777 344 G HN 0.362 nan 8.290 nan 0.000 0.539 345 R N 0.392 120.886 120.500 -0.010 0.000 2.091 345 R HA -0.042 4.298 4.340 0.000 0.000 0.238 345 R C 2.546 178.837 176.300 -0.015 0.000 1.136 345 R CA 1.600 57.691 56.100 -0.014 0.000 0.959 345 R CB -0.919 29.372 30.300 -0.015 0.000 0.856 345 R HN 0.212 nan 8.270 nan 0.000 0.437 346 V N 0.823 120.730 119.914 -0.012 0.000 2.287 346 V HA -0.258 3.862 4.120 0.000 0.000 0.248 346 V C 2.394 178.481 176.094 -0.013 0.000 1.053 346 V CA 2.025 64.317 62.300 -0.013 0.000 1.027 346 V CB -1.077 30.741 31.823 -0.009 0.000 0.646 346 V HN 0.570 nan 8.190 nan 0.000 0.447 347 A N -0.695 122.119 122.820 -0.011 0.000 1.883 347 A HA -0.305 4.015 4.320 0.000 0.000 0.217 347 A C 2.172 179.748 177.584 -0.012 0.000 1.186 347 A CA 2.115 54.145 52.037 -0.010 0.000 0.624 347 A CB -0.532 18.463 19.000 -0.009 0.000 0.822 347 A HN 0.648 nan 8.150 nan 0.000 0.444 348 Q N -0.369 119.423 119.800 -0.013 0.000 1.985 348 Q HA -0.189 4.152 4.340 0.000 0.000 0.207 348 Q C 2.082 178.072 176.000 -0.018 0.000 0.996 348 Q CA 1.882 57.676 55.803 -0.015 0.000 0.851 348 Q CB -0.479 28.249 28.738 -0.016 0.000 0.921 348 Q HN 0.738 nan 8.270 nan 0.000 0.418 349 I N 0.328 120.886 120.570 -0.021 0.000 2.335 349 I HA -0.293 3.878 4.170 0.000 0.000 0.251 349 I C 2.566 178.670 176.117 -0.023 0.000 1.129 349 I CA 1.080 62.365 61.300 -0.025 0.000 1.402 349 I CB -0.313 37.671 38.000 -0.028 0.000 1.069 349 I HN 0.169 nan 8.210 nan 0.000 0.424 350 R N 0.773 121.262 120.500 -0.018 0.000 2.092 350 R HA -0.167 4.174 4.340 0.000 0.000 0.231 350 R C 2.315 178.606 176.300 -0.015 0.000 1.119 350 R CA 1.352 57.442 56.100 -0.016 0.000 0.970 350 R CB -0.031 30.261 30.300 -0.013 0.000 0.864 350 R HN 0.420 nan 8.270 nan 0.000 0.440 351 Q N -0.574 119.218 119.800 -0.014 0.000 2.123 351 Q HA -0.125 4.215 4.340 0.000 0.000 0.199 351 Q C 2.030 178.022 176.000 -0.015 0.000 0.966 351 Q CA 0.911 56.706 55.803 -0.013 0.000 0.845 351 Q CB 0.183 28.914 28.738 -0.012 0.000 0.907 351 Q HN 0.409 nan 8.270 nan 0.000 0.439 352 Q N 0.455 120.244 119.800 -0.018 0.000 2.152 352 Q HA -0.190 4.151 4.340 0.000 0.000 0.206 352 Q C 2.060 178.048 176.000 -0.021 0.000 0.985 352 Q CA 1.214 57.004 55.803 -0.021 0.000 0.863 352 Q CB -0.270 28.452 28.738 -0.027 0.000 0.904 352 Q HN 0.502 nan 8.270 nan 0.000 0.422 353 I N 0.991 121.548 120.570 -0.022 0.000 2.394 353 I HA -0.213 3.957 4.170 0.000 0.000 0.251 353 I C 2.163 178.272 176.117 -0.015 0.000 1.136 353 I CA 0.783 62.070 61.300 -0.021 0.000 1.425 353 I CB -0.251 37.736 38.000 -0.021 0.000 1.079 353 I HN 0.141 nan 8.210 nan 0.000 0.425 354 E N 1.311 121.503 120.200 -0.012 0.000 2.028 354 E HA -0.202 4.148 4.350 0.000 0.000 0.191 354 E C 1.795 178.390 176.600 -0.007 0.000 0.988 354 E CA 1.247 57.642 56.400 -0.009 0.000 0.799 354 E CB -0.358 29.337 29.700 -0.008 0.000 0.755 354 E HN 0.601 nan 8.360 nan 0.000 0.447 355 E N 1.128 121.323 120.200 -0.009 0.000 2.478 355 E HA 0.111 4.462 4.350 0.000 0.000 0.198 355 E C 0.424 177.020 176.600 -0.006 0.000 1.046 355 E CA 0.048 56.444 56.400 -0.007 0.000 0.870 355 E CB 0.059 29.754 29.700 -0.008 0.000 0.818 355 E HN 0.085 nan 8.360 nan 0.000 0.527 356 A N 1.723 124.539 122.820 -0.008 0.000 2.548 356 A HA 0.037 4.358 4.320 0.000 0.000 0.247 356 A C 1.222 178.807 177.584 0.002 0.000 1.067 356 A CA 0.414 52.448 52.037 -0.005 0.000 0.757 356 A CB -0.032 18.962 19.000 -0.010 0.000 0.996 356 A HN 0.236 nan 8.150 nan 0.000 0.504 357 T N -0.693 113.866 114.554 0.008 0.000 3.092 357 T HA 0.392 4.742 4.350 0.000 0.000 0.258 357 T C 0.427 175.140 174.700 0.022 0.000 1.031 357 T CA 0.422 62.529 62.100 0.012 0.000 0.925 357 T CB -0.169 68.706 68.868 0.011 0.000 1.036 357 T HN 0.906 nan 8.240 nan 0.000 0.544 358 S N -0.221 115.497 115.700 0.030 0.000 2.548 358 S HA 0.380 4.851 4.470 0.000 0.000 0.276 358 S C -0.056 174.579 174.600 0.058 0.000 1.129 358 S CA -0.621 57.610 58.200 0.052 0.000 0.931 358 S CB 1.617 64.864 63.200 0.079 0.000 1.068 358 S HN 0.055 nan 8.310 nan 0.000 0.480 359 D N 2.191 122.632 120.400 0.068 0.000 2.123 359 D HA -0.114 4.527 4.640 0.000 0.000 0.196 359 D C 1.318 177.667 176.300 0.083 0.000 0.992 359 D CA 1.542 55.579 54.000 0.063 0.000 0.833 359 D CB -0.284 40.556 40.800 0.066 0.000 0.954 359 D HN 0.713 nan 8.370 nan 0.000 0.455 360 Y N 2.035 122.336 120.300 0.003 0.000 2.128 360 Y HA -0.228 4.323 4.550 0.000 0.000 0.284 360 Y C 1.570 177.469 175.900 -0.002 0.000 1.154 360 Y CA 1.935 60.038 58.100 0.004 0.000 1.149 360 Y CB -0.368 38.096 38.460 0.007 0.000 0.976 360 Y HN -0.112 nan 8.280 nan 0.000 0.505 361 D N -0.745 119.644 120.400 -0.018 0.000 2.178 361 D HA -0.134 4.506 4.640 0.000 0.000 0.201 361 D C 2.229 178.460 176.300 -0.114 0.000 0.980 361 D CA 1.294 55.233 54.000 -0.100 0.000 0.842 361 D CB -0.244 40.553 40.800 -0.006 0.000 0.948 361 D HN 0.280 nan 8.370 nan 0.000 0.472 362 R N 0.637 121.097 120.500 -0.066 0.000 2.066 362 R HA -0.122 4.218 4.340 0.000 0.000 0.232 362 R C 1.771 178.023 176.300 -0.080 0.000 1.131 362 R CA 1.092 57.159 56.100 -0.054 0.000 0.955 362 R CB 0.112 30.399 30.300 -0.022 0.000 0.851 362 R HN 0.089 nan 8.270 nan 0.000 0.432 363 E N 0.876 121.016 120.200 -0.101 0.000 2.058 363 E HA -0.206 4.144 4.350 0.000 0.000 0.194 363 E C 1.894 178.405 176.600 -0.149 0.000 0.997 363 E CA 1.075 57.411 56.400 -0.107 0.000 0.801 363 E CB -0.157 29.483 29.700 -0.100 0.000 0.746 363 E HN 0.217 nan 8.360 nan 0.000 0.450 364 K N 0.818 121.064 120.400 -0.258 0.000 2.063 364 K HA -0.071 4.249 4.320 0.000 0.000 0.208 364 K C 2.439 178.954 176.600 -0.141 0.000 1.048 364 K CA 0.697 56.840 56.287 -0.240 0.000 0.928 364 K CB -0.608 31.678 32.500 -0.358 0.000 0.713 364 K HN 0.197 nan 8.250 nan 0.000 0.442 365 L N 1.010 122.160 121.223 -0.121 0.000 2.093 365 L HA -0.187 4.153 4.340 0.000 0.000 0.208 365 L C 2.546 179.380 176.870 -0.060 0.000 1.085 365 L CA 1.176 55.968 54.840 -0.080 0.000 0.755 365 L CB -0.388 41.631 42.059 -0.066 0.000 0.904 365 L HN 0.237 nan 8.230 nan 0.000 0.435 366 Q N -0.193 119.572 119.800 -0.058 0.000 2.170 366 Q HA -0.215 4.125 4.340 0.000 0.000 0.203 366 Q C 2.021 178.000 176.000 -0.035 0.000 0.976 366 Q CA 1.287 57.066 55.803 -0.040 0.000 0.858 366 Q CB -0.075 28.642 28.738 -0.035 0.000 0.907 366 Q HN 0.559 nan 8.270 nan 0.000 0.433 367 E N 0.651 120.824 120.200 -0.044 0.000 2.051 367 E HA -0.161 4.189 4.350 0.000 0.000 0.192 367 E C 2.098 178.683 176.600 -0.025 0.000 0.991 367 E CA 0.737 57.118 56.400 -0.031 0.000 0.799 367 E CB 0.011 29.689 29.700 -0.037 0.000 0.748 367 E HN 0.253 nan 8.360 nan 0.000 0.449 368 R N 0.503 120.982 120.500 -0.036 0.000 2.083 368 R HA -0.151 4.189 4.340 0.000 0.000 0.237 368 R C 2.733 179.019 176.300 -0.023 0.000 1.137 368 R CA 1.780 57.861 56.100 -0.032 0.000 0.951 368 R CB -0.859 29.413 30.300 -0.045 0.000 0.851 368 R HN 0.229 nan 8.270 nan 0.000 0.434 369 V N -1.188 118.711 119.914 -0.025 0.000 2.392 369 V HA -0.164 3.956 4.120 0.000 0.000 0.249 369 V C 2.371 178.459 176.094 -0.012 0.000 1.059 369 V CA 1.844 64.133 62.300 -0.018 0.000 1.051 369 V CB -1.130 30.682 31.823 -0.019 0.000 0.658 369 V HN 0.279 nan 8.190 nan 0.000 0.455 370 A N 0.512 123.326 122.820 -0.011 0.000 1.902 370 A HA -0.183 4.137 4.320 0.000 0.000 0.217 370 A C 2.355 179.940 177.584 0.001 0.000 1.181 370 A CA 2.231 54.265 52.037 -0.005 0.000 0.623 370 A CB -0.579 18.417 19.000 -0.006 0.000 0.818 370 A HN 0.617 nan 8.150 nan 0.000 0.443 371 K N -1.129 119.274 120.400 0.004 0.000 2.001 371 K HA -0.069 4.252 4.320 0.000 0.000 0.208 371 K C 1.900 178.508 176.600 0.013 0.000 1.048 371 K CA 1.349 57.646 56.287 0.016 0.000 0.932 371 K CB -0.332 32.182 32.500 0.025 0.000 0.715 371 K HN 0.337 nan 8.250 nan 0.000 0.437 372 L N 0.472 121.697 121.223 0.003 0.000 2.141 372 L HA -0.073 4.267 4.340 0.000 0.000 0.209 372 L C 1.901 178.772 176.870 0.001 0.000 1.094 372 L CA 1.601 56.442 54.840 0.001 0.000 0.763 372 L CB -0.335 41.719 42.059 -0.008 0.000 0.908 372 L HN 0.124 nan 8.230 nan 0.000 0.437 373 A N -1.794 121.026 122.820 -0.001 0.000 2.220 373 A HA 0.304 4.625 4.320 0.000 0.000 0.211 373 A C 2.165 179.749 177.584 0.001 0.000 1.176 373 A CA 0.572 52.608 52.037 -0.001 0.000 0.834 373 A CB -0.731 18.267 19.000 -0.004 0.000 0.868 373 A HN 0.419 nan 8.150 nan 0.000 0.488 374 G N -0.315 108.487 108.800 0.003 0.000 2.403 374 G HA2 0.362 4.322 3.960 0.000 0.000 0.216 374 G HA3 0.362 4.322 3.960 0.000 0.000 0.216 374 G C 1.164 176.067 174.900 0.005 0.000 1.154 374 G CA 0.723 45.825 45.100 0.004 0.000 0.784 374 G HN 1.623 nan 8.290 nan 0.000 0.538 375 G N -1.647 107.158 108.800 0.008 0.000 2.642 375 G HA2 0.024 3.984 3.960 0.000 0.000 0.231 375 G HA3 0.024 3.984 3.960 0.000 0.000 0.231 375 G C -0.700 174.206 174.900 0.009 0.000 1.338 375 G CA -0.210 44.895 45.100 0.009 0.000 0.883 375 G HN 1.113 nan 8.290 nan 0.000 0.570 376 V N 0.287 120.205 119.914 0.007 0.000 2.612 376 V HA 0.694 4.815 4.120 0.000 0.000 0.301 376 V C 0.634 176.730 176.094 0.002 0.000 1.059 376 V CA -0.066 62.237 62.300 0.005 0.000 0.886 376 V CB 1.243 33.070 31.823 0.007 0.000 1.007 376 V HN 2.187 nan 8.190 nan 0.000 0.426 377 A N 4.530 127.351 122.820 0.001 0.000 2.401 377 A HA 0.721 5.041 4.320 0.000 0.000 0.259 377 A C -0.380 177.204 177.584 -0.000 0.000 1.103 377 A CA -0.222 51.815 52.037 0.000 0.000 0.789 377 A CB 0.692 19.692 19.000 -0.001 0.000 1.035 377 A HN 0.817 nan 8.150 nan 0.000 0.491 378 V N 4.763 124.677 119.914 0.000 0.000 2.378 378 V HA 0.289 4.410 4.120 0.000 0.000 0.288 378 V C -0.198 175.896 176.094 0.000 0.000 1.016 378 V CA -0.136 62.164 62.300 0.000 0.000 0.840 378 V CB 1.125 32.947 31.823 -0.001 0.000 0.994 378 V HN 0.738 nan 8.190 nan 0.000 0.431 379 I N 5.127 125.698 120.570 0.001 0.000 2.315 379 I HA 0.382 4.553 4.170 0.000 0.000 0.291 379 I C 0.201 176.319 176.117 0.002 0.000 1.006 379 I CA -0.399 60.902 61.300 0.002 0.000 1.265 379 I CB 1.103 39.105 38.000 0.003 0.000 1.387 379 I HN 0.485 nan 8.210 nan 0.000 0.475 380 K N 6.065 126.466 120.400 0.001 0.000 2.316 380 K HA 0.408 4.728 4.320 0.000 0.000 0.267 380 K C -0.713 175.887 176.600 0.001 0.000 1.025 380 K CA -0.646 55.641 56.287 0.000 0.000 0.896 380 K CB 1.795 34.295 32.500 -0.000 0.000 1.124 380 K HN 0.330 nan 8.250 nan 0.000 0.451 381 V N 2.998 122.912 119.914 0.001 0.000 2.673 381 V HA -0.001 4.119 4.120 0.000 0.000 0.303 381 V C 1.456 177.550 176.094 0.000 0.000 1.046 381 V CA -0.063 62.237 62.300 0.001 0.000 1.126 381 V CB 0.616 32.440 31.823 0.002 0.000 0.934 381 V HN 0.949 nan 8.190 nan 0.000 0.487 382 G N 2.790 111.591 108.800 0.000 0.000 2.504 382 G HA2 0.406 4.366 3.960 0.000 0.000 0.291 382 G HA3 0.406 4.366 3.960 0.000 0.000 0.291 382 G C 0.407 175.307 174.900 -0.000 0.000 1.345 382 G CA 0.508 45.608 45.100 -0.000 0.000 1.090 382 G HN 1.230 nan 8.290 nan 0.000 0.591 383 A N -2.565 120.255 122.820 -0.001 0.000 2.196 383 A HA 0.818 5.138 4.320 0.000 0.000 0.174 383 A C 0.817 178.400 177.584 -0.001 0.000 1.272 383 A CA 1.138 53.175 52.037 -0.001 0.000 2.185 383 A CB -0.547 18.453 19.000 -0.001 0.000 2.596 383 A HN 2.609 nan 8.150 nan 0.000 1.043 384 A N -0.337 122.482 122.820 -0.001 0.000 2.482 384 A HA 0.507 4.828 4.320 0.000 0.000 0.283 384 A C 1.035 178.619 177.584 -0.001 0.000 1.411 384 A CA 1.369 53.405 52.037 -0.001 0.000 0.725 384 A CB -2.610 16.390 19.000 -0.001 0.000 1.140 384 A HN 3.425 nan 8.150 nan 0.000 0.375 385 T N -2.650 111.904 114.554 -0.001 0.000 0.546 385 T HA -0.065 4.285 4.350 0.000 0.000 0.773 385 T C 0.254 174.954 174.700 -0.001 0.000 0.992 385 T CA 1.304 63.403 62.100 -0.001 0.000 4.074 385 T CB -1.136 67.731 68.868 -0.001 0.000 2.301 385 T HN 1.878 nan 8.240 nan 0.000 0.398 386 E N 1.227 121.426 120.200 -0.001 0.000 2.171 386 E HA -0.149 4.201 4.350 0.000 0.000 0.197 386 E C 1.979 178.578 176.600 -0.001 0.000 0.997 386 E CA 2.154 58.553 56.400 -0.001 0.000 0.810 386 E CB -0.114 29.585 29.700 -0.001 0.000 0.738 386 E HN 0.664 nan 8.360 nan 0.000 0.467 387 V N 1.191 121.104 119.914 -0.001 0.000 2.270 387 V HA -0.243 3.878 4.120 0.000 0.000 0.245 387 V C 2.144 178.237 176.094 -0.002 0.000 1.043 387 V CA 2.202 64.501 62.300 -0.002 0.000 1.014 387 V CB -0.612 31.210 31.823 -0.002 0.000 0.645 387 V HN 0.279 nan 8.190 nan 0.000 0.447 388 E N -0.277 119.922 120.200 -0.002 0.000 2.077 388 E HA -0.241 4.109 4.350 0.000 0.000 0.193 388 E C 2.213 178.812 176.600 -0.001 0.000 0.989 388 E CA 1.436 57.835 56.400 -0.002 0.000 0.800 388 E CB -0.271 29.428 29.700 -0.002 0.000 0.746 388 E HN 0.422 nan 8.360 nan 0.000 0.452 389 M N 1.232 120.832 119.600 -0.001 0.000 2.080 389 M HA -0.177 4.303 4.480 0.000 0.000 0.260 389 M C 1.659 177.959 176.300 -0.001 0.000 1.068 389 M CA 1.578 56.877 55.300 -0.001 0.000 1.109 389 M CB -0.190 32.410 32.600 -0.001 0.000 1.342 389 M HN -0.119 nan 8.290 nan 0.000 0.405 390 K N 0.210 120.609 120.400 -0.001 0.000 2.211 390 K HA -0.152 4.169 4.320 0.000 0.000 0.203 390 K C 1.864 178.463 176.600 -0.001 0.000 1.050 390 K CA 1.173 57.459 56.287 -0.001 0.000 0.945 390 K CB -0.446 32.053 32.500 -0.001 0.000 0.732 390 K HN 0.603 nan 8.250 nan 0.000 0.451 391 E N 1.330 121.529 120.200 -0.002 0.000 2.033 391 E HA -0.144 4.207 4.350 0.000 0.000 0.189 391 E C 2.044 178.643 176.600 -0.002 0.000 0.979 391 E CA 0.808 57.206 56.400 -0.002 0.000 0.802 391 E CB 0.114 29.812 29.700 -0.003 0.000 0.763 391 E HN 0.125 nan 8.360 nan 0.000 0.449 392 K N 1.125 121.524 120.400 -0.001 0.000 2.103 392 K HA -0.216 4.104 4.320 0.000 0.000 0.207 392 K C 2.255 178.856 176.600 0.001 0.000 1.048 392 K CA 1.540 57.827 56.287 -0.000 0.000 0.930 392 K CB -0.072 32.428 32.500 -0.000 0.000 0.716 392 K HN -0.052 nan 8.250 nan 0.000 0.444 393 K N 0.077 120.478 120.400 0.001 0.000 2.097 393 K HA -0.143 4.177 4.320 0.000 0.000 0.206 393 K C 1.896 178.498 176.600 0.004 0.000 1.049 393 K CA 1.271 57.559 56.287 0.003 0.000 0.933 393 K CB -0.156 32.346 32.500 0.002 0.000 0.717 393 K HN 0.230 nan 8.250 nan 0.000 0.442 394 A N 1.282 124.103 122.820 0.001 0.000 1.930 394 A HA -0.119 4.201 4.320 0.000 0.000 0.217 394 A C 2.073 179.658 177.584 0.001 0.000 1.175 394 A CA 1.185 53.221 52.037 -0.001 0.000 0.627 394 A CB -0.383 18.614 19.000 -0.004 0.000 0.815 394 A HN 0.299 nan 8.150 nan 0.000 0.443 395 R N -0.655 119.846 120.500 0.001 0.000 2.073 395 R HA -0.085 4.256 4.340 0.000 0.000 0.234 395 R C 2.067 178.372 176.300 0.009 0.000 1.134 395 R CA 1.500 57.601 56.100 0.002 0.000 0.952 395 R CB -0.611 29.689 30.300 0.001 0.000 0.850 395 R HN 0.382 nan 8.270 nan 0.000 0.433 396 V N 1.458 121.378 119.914 0.009 0.000 2.332 396 V HA -0.266 3.854 4.120 0.000 0.000 0.248 396 V C 2.032 178.139 176.094 0.022 0.000 1.055 396 V CA 1.889 64.197 62.300 0.013 0.000 1.038 396 V CB -0.475 31.354 31.823 0.010 0.000 0.651 396 V HN 0.378 nan 8.190 nan 0.000 0.450 397 E N -0.248 119.965 120.200 0.022 0.000 2.051 397 E HA -0.228 4.123 4.350 0.000 0.000 0.192 397 E C 2.036 178.669 176.600 0.055 0.000 0.991 397 E CA 1.520 57.941 56.400 0.034 0.000 0.799 397 E CB -0.176 29.538 29.700 0.023 0.000 0.748 397 E HN 0.634 nan 8.360 nan 0.000 0.449 398 D N 0.262 120.681 120.400 0.032 0.000 2.097 398 D HA -0.104 4.536 4.640 0.000 0.000 0.197 398 D C 1.970 178.310 176.300 0.065 0.000 0.984 398 D CA 1.151 55.170 54.000 0.032 0.000 0.826 398 D CB -0.182 40.616 40.800 -0.004 0.000 0.973 398 D HN 0.127 nan 8.370 nan 0.000 0.460 399 A N 1.309 124.155 122.820 0.043 0.000 1.883 399 A HA -0.187 4.133 4.320 0.000 0.000 0.217 399 A C 2.213 179.827 177.584 0.051 0.000 1.186 399 A CA 1.199 53.259 52.037 0.039 0.000 0.624 399 A CB -0.842 18.172 19.000 0.023 0.000 0.822 399 A HN 0.234 nan 8.150 nan 0.000 0.444 400 L N -0.746 120.508 121.223 0.051 0.000 2.012 400 L HA -0.221 4.119 4.340 0.000 0.000 0.210 400 L C 2.429 179.329 176.870 0.050 0.000 1.073 400 L CA 2.760 57.624 54.840 0.040 0.000 0.748 400 L CB -0.829 41.250 42.059 0.035 0.000 0.891 400 L HN 0.637 nan 8.230 nan 0.000 0.431 401 H N -0.395 118.674 119.070 -0.002 0.000 2.353 401 H HA -0.109 4.448 4.556 0.000 0.000 0.300 401 H C 1.928 177.256 175.328 0.000 0.000 1.090 401 H CA 1.688 57.735 56.048 -0.002 0.000 1.327 401 H CB 0.131 29.891 29.762 -0.003 0.000 1.383 401 H HN 0.485 nan 8.280 nan 0.000 0.508 402 A N -0.072 122.861 122.820 0.188 0.000 1.873 402 A HA -0.123 4.197 4.320 0.000 0.000 0.215 402 A C 2.679 180.288 177.584 0.042 0.000 1.186 402 A CA 1.960 54.071 52.037 0.123 0.000 0.616 402 A CB -1.008 18.044 19.000 0.087 0.000 0.823 402 A HN 0.506 nan 8.150 nan 0.000 0.442 403 T N -0.400 114.169 114.554 0.026 0.000 2.759 403 T HA -0.156 4.195 4.350 0.000 0.000 0.269 403 T C 2.149 176.839 174.700 -0.017 0.000 1.042 403 T CA 1.382 63.485 62.100 0.005 0.000 1.140 403 T CB -0.265 68.606 68.868 0.005 0.000 0.864 403 T HN 0.288 nan 8.240 nan 0.000 0.455 404 R N 1.382 121.856 120.500 -0.044 0.000 2.083 404 R HA 0.044 4.384 4.340 0.000 0.000 0.237 404 R C 2.606 178.863 176.300 -0.071 0.000 1.137 404 R CA 1.855 57.910 56.100 -0.075 0.000 0.951 404 R CB -1.111 29.103 30.300 -0.143 0.000 0.851 404 R HN 0.441 nan 8.270 nan 0.000 0.434 405 A N 0.310 123.084 122.820 -0.077 0.000 1.933 405 A HA -0.058 4.262 4.320 0.000 0.000 0.218 405 A C 2.353 179.929 177.584 -0.013 0.000 1.175 405 A CA 1.856 53.867 52.037 -0.043 0.000 0.628 405 A CB -0.659 18.335 19.000 -0.010 0.000 0.814 405 A HN 0.420 nan 8.150 nan 0.000 0.444 406 A N -0.626 122.191 122.820 -0.005 0.000 1.933 406 A HA 0.003 4.324 4.320 0.000 0.000 0.218 406 A C 2.197 179.779 177.584 -0.003 0.000 1.175 406 A CA 1.717 53.755 52.037 0.002 0.000 0.628 406 A CB -0.848 18.156 19.000 0.006 0.000 0.814 406 A HN 0.375 nan 8.150 nan 0.000 0.444 407 V N 0.118 120.026 119.914 -0.010 0.000 2.407 407 V HA -0.254 3.867 4.120 0.000 0.000 0.248 407 V C 2.382 178.470 176.094 -0.009 0.000 1.055 407 V CA 2.270 64.564 62.300 -0.010 0.000 1.049 407 V CB -0.729 31.085 31.823 -0.014 0.000 0.662 407 V HN 0.652 nan 8.190 nan 0.000 0.455 408 E N -0.238 119.954 120.200 -0.013 0.000 2.072 408 E HA -0.148 4.202 4.350 0.000 0.000 0.190 408 E C 1.505 178.103 176.600 -0.004 0.000 0.982 408 E CA 1.257 57.651 56.400 -0.010 0.000 0.803 408 E CB 0.038 29.729 29.700 -0.015 0.000 0.755 408 E HN 0.659 nan 8.360 nan 0.000 0.453 409 E N -0.705 119.495 120.200 -0.001 0.000 2.715 409 E HA 0.227 4.577 4.350 0.000 0.000 0.224 409 E C 0.181 176.783 176.600 0.004 0.000 0.962 409 E CA 0.078 56.479 56.400 0.002 0.000 1.145 409 E CB 1.626 31.328 29.700 0.003 0.000 1.083 409 E HN 0.224 nan 8.360 nan 0.000 0.506 410 G N 1.234 110.036 108.800 0.004 0.000 2.681 410 G HA2 -0.208 3.752 3.960 0.000 0.000 0.220 410 G HA3 -0.208 3.752 3.960 0.000 0.000 0.220 410 G C -0.306 174.599 174.900 0.009 0.000 1.353 410 G CA -0.443 44.661 45.100 0.006 0.000 0.872 410 G HN 0.534 nan 8.290 nan 0.000 0.557 411 V N -2.834 117.086 119.914 0.011 0.000 3.078 411 V HA 0.980 5.100 4.120 0.000 0.000 0.311 411 V C 0.518 176.620 176.094 0.014 0.000 1.138 411 V CA 0.109 62.417 62.300 0.013 0.000 1.007 411 V CB 1.316 33.146 31.823 0.012 0.000 1.045 411 V HN 2.455 nan 8.190 nan 0.000 0.432 412 V N -0.700 119.223 119.914 0.016 0.000 3.158 412 V HA 1.026 5.146 4.120 0.000 0.000 0.311 412 V C 0.542 176.647 176.094 0.018 0.000 1.181 412 V CA -0.692 61.619 62.300 0.018 0.000 1.054 412 V CB 1.246 33.080 31.823 0.018 0.000 1.085 412 V HN 2.097 nan 8.190 nan 0.000 0.446 413 A N 0.591 123.424 122.820 0.021 0.000 2.540 413 A HA 0.636 4.956 4.320 0.000 0.000 0.239 413 A C 0.851 178.445 177.584 0.015 0.000 1.061 413 A CA 0.681 52.730 52.037 0.019 0.000 0.758 413 A CB -0.457 18.560 19.000 0.028 0.000 0.991 413 A HN 1.929 nan 8.150 nan 0.000 0.502 414 G N 0.286 109.090 108.800 0.008 0.000 2.574 414 G HA2 0.521 4.481 3.960 0.000 0.000 0.248 414 G HA3 0.521 4.481 3.960 0.000 0.000 0.248 414 G C 1.102 176.005 174.900 0.005 0.000 1.422 414 G CA -0.056 45.048 45.100 0.006 0.000 1.051 414 G HN 2.239 nan 8.290 nan 0.000 0.560 415 G N -1.787 107.015 108.800 0.003 0.000 2.258 415 G HA2 0.198 4.158 3.960 0.000 0.000 0.274 415 G HA3 0.198 4.158 3.960 0.000 0.000 0.274 415 G C 1.545 176.456 174.900 0.019 0.000 1.021 415 G CA 1.305 46.410 45.100 0.008 0.000 0.798 415 G HN 2.439 nan 8.290 nan 0.000 0.507 416 G N -2.389 106.422 108.800 0.018 0.000 2.189 416 G HA2 -0.167 3.793 3.960 0.000 0.000 0.267 416 G HA3 -0.167 3.793 3.960 0.000 0.000 0.267 416 G C 1.920 176.835 174.900 0.025 0.000 0.975 416 G CA 1.965 47.077 45.100 0.021 0.000 0.644 416 G HN 2.203 nan 8.290 nan 0.000 0.537 417 V N -0.591 119.340 119.914 0.028 0.000 2.667 417 V HA 0.306 4.426 4.120 0.000 0.000 0.252 417 V C 2.778 178.895 176.094 0.037 0.000 1.065 417 V CA 2.240 64.563 62.300 0.037 0.000 1.083 417 V CB -0.579 31.269 31.823 0.041 0.000 0.692 417 V HN 1.419 nan 8.190 nan 0.000 0.468 418 A N 0.738 123.576 122.820 0.030 0.000 1.865 418 A HA -0.119 4.201 4.320 0.000 0.000 0.217 418 A C 2.223 179.822 177.584 0.026 0.000 1.191 418 A CA 2.312 54.365 52.037 0.028 0.000 0.623 418 A CB -0.799 18.215 19.000 0.023 0.000 0.826 418 A HN 0.604 nan 8.150 nan 0.000 0.444 419 L N -0.760 120.477 121.223 0.023 0.000 2.131 419 L HA -0.157 4.184 4.340 0.000 0.000 0.210 419 L C 2.469 179.353 176.870 0.023 0.000 1.092 419 L CA 0.981 55.833 54.840 0.021 0.000 0.759 419 L CB -0.421 41.649 42.059 0.019 0.000 0.903 419 L HN 0.401 nan 8.230 nan 0.000 0.435 420 I N -0.819 119.769 120.570 0.029 0.000 2.252 420 I HA -0.234 3.937 4.170 0.000 0.000 0.245 420 I C 2.684 178.823 176.117 0.036 0.000 1.102 420 I CA 0.801 62.121 61.300 0.033 0.000 1.385 420 I CB -0.174 37.851 38.000 0.042 0.000 1.064 420 I HN 0.248 nan 8.210 nan 0.000 0.414 421 R N 0.239 120.763 120.500 0.039 0.000 2.075 421 R HA -0.072 4.268 4.340 0.000 0.000 0.232 421 R C 2.242 178.558 176.300 0.028 0.000 1.126 421 R CA 1.015 57.138 56.100 0.039 0.000 0.963 421 R CB -1.083 29.242 30.300 0.042 0.000 0.858 421 R HN 0.247 nan 8.270 nan 0.000 0.435 422 V N 1.519 121.447 119.914 0.023 0.000 2.343 422 V HA -0.232 3.888 4.120 0.000 0.000 0.247 422 V C 2.562 178.665 176.094 0.015 0.000 1.051 422 V CA 1.878 64.188 62.300 0.017 0.000 1.036 422 V CB -0.900 30.931 31.823 0.014 0.000 0.654 422 V HN 0.318 nan 8.190 nan 0.000 0.451 423 A N 0.798 123.628 122.820 0.017 0.000 1.908 423 A HA -0.241 4.079 4.320 0.000 0.000 0.218 423 A C 2.567 180.160 177.584 0.015 0.000 1.181 423 A CA 2.482 54.528 52.037 0.015 0.000 0.627 423 A CB -0.867 18.142 19.000 0.016 0.000 0.818 423 A HN 0.705 nan 8.150 nan 0.000 0.445 424 S N 0.021 115.732 115.700 0.019 0.000 2.382 424 S HA -0.175 4.295 4.470 0.000 0.000 0.228 424 S C 1.731 176.340 174.600 0.014 0.000 1.027 424 S CA 1.500 59.711 58.200 0.018 0.000 0.991 424 S CB -0.417 62.797 63.200 0.023 0.000 0.823 424 S HN 0.614 nan 8.310 nan 0.000 0.469 425 K N 0.834 121.242 120.400 0.014 0.000 2.365 425 K HA 0.187 4.508 4.320 0.000 0.000 0.199 425 K C 1.169 177.774 176.600 0.009 0.000 1.045 425 K CA 0.673 56.967 56.287 0.011 0.000 0.962 425 K CB -0.263 32.244 32.500 0.012 0.000 0.759 425 K HN 0.454 nan 8.250 nan 0.000 0.469 426 L N -0.040 121.188 121.223 0.008 0.000 2.700 426 L HA 0.204 4.544 4.340 0.000 0.000 0.234 426 L C 1.898 178.771 176.870 0.006 0.000 1.156 426 L CA -0.201 54.643 54.840 0.006 0.000 0.946 426 L CB -0.154 41.908 42.059 0.006 0.000 1.216 426 L HN 0.042 nan 8.230 nan 0.000 0.493 427 A N 0.361 123.185 122.820 0.007 0.000 2.032 427 A HA -0.218 4.102 4.320 0.000 0.000 0.221 427 A C 1.604 179.191 177.584 0.004 0.000 1.165 427 A CA 1.863 53.904 52.037 0.006 0.000 0.645 427 A CB -0.220 18.783 19.000 0.006 0.000 0.807 427 A HN 0.383 nan 8.150 nan 0.000 0.453 428 D N -1.270 119.132 120.400 0.004 0.000 2.349 428 D HA 0.161 4.802 4.640 0.000 0.000 0.214 428 D C 0.170 176.471 176.300 0.003 0.000 1.063 428 D CA -0.277 53.724 54.000 0.003 0.000 0.847 428 D CB -0.038 40.764 40.800 0.003 0.000 0.933 428 D HN 0.342 nan 8.370 nan 0.000 0.513 429 L N 2.022 123.247 121.223 0.003 0.000 2.499 429 L HA 0.073 4.413 4.340 0.000 0.000 0.273 429 L C 0.136 177.007 176.870 0.002 0.000 1.195 429 L CA 0.595 55.436 54.840 0.002 0.000 0.882 429 L CB 0.108 42.168 42.059 0.002 0.000 1.133 429 L HN -0.230 nan 8.230 nan 0.000 0.483 430 R N 3.133 123.634 120.500 0.001 0.000 2.867 430 R HA 0.734 5.074 4.340 0.000 0.000 0.268 430 R C -0.150 176.151 176.300 0.001 0.000 1.014 430 R CA -0.319 55.782 56.100 0.001 0.000 0.946 430 R CB 1.541 31.842 30.300 0.001 0.000 1.208 430 R HN 0.813 nan 8.270 nan 0.000 0.477 431 G N -0.410 108.391 108.800 0.001 0.000 3.119 431 G HA2 0.213 4.173 3.960 0.000 0.000 0.206 431 G HA3 0.213 4.173 3.960 0.000 0.000 0.206 431 G C 0.012 174.913 174.900 0.001 0.000 1.313 431 G CA -0.250 44.850 45.100 0.001 0.000 1.010 431 G HN 0.409 nan 8.290 nan 0.000 0.578 432 Q N -0.480 119.321 119.800 0.001 0.000 2.389 432 Q HA 0.119 4.460 4.340 0.000 0.000 0.204 432 Q C -0.007 175.994 176.000 0.001 0.000 0.944 432 Q CA 0.840 56.644 55.803 0.001 0.000 0.908 432 Q CB 0.076 28.814 28.738 0.001 0.000 1.002 432 Q HN 0.610 nan 8.270 nan 0.000 0.493 433 N N -3.052 115.649 118.700 0.002 0.000 3.116 433 N HA 0.340 5.080 4.740 0.000 0.000 0.244 433 N C -0.196 175.315 175.510 0.002 0.000 1.485 433 N CA -0.064 52.987 53.050 0.002 0.000 0.884 433 N CB 0.156 38.644 38.487 0.002 0.000 1.415 433 N HN -0.147 nan 8.380 nan 0.000 0.524 434 A N -0.119 122.702 122.820 0.002 0.000 1.883 434 A HA -0.199 4.121 4.320 0.000 0.000 0.217 434 A C 1.283 178.869 177.584 0.002 0.000 1.186 434 A CA 2.153 54.192 52.037 0.002 0.000 0.624 434 A CB -1.102 17.899 19.000 0.002 0.000 0.822 434 A HN 0.748 nan 8.150 nan 0.000 0.444 435 D N -0.514 119.888 120.400 0.003 0.000 2.123 435 D HA -0.167 4.473 4.640 0.000 0.000 0.196 435 D C 2.176 178.478 176.300 0.003 0.000 0.992 435 D CA 1.520 55.522 54.000 0.003 0.000 0.833 435 D CB -0.427 40.375 40.800 0.004 0.000 0.954 435 D HN 0.631 nan 8.370 nan 0.000 0.455 436 Q N -0.033 119.768 119.800 0.003 0.000 2.124 436 Q HA -0.098 4.243 4.340 0.000 0.000 0.202 436 Q C 1.781 177.782 176.000 0.003 0.000 0.977 436 Q CA 0.715 56.519 55.803 0.003 0.000 0.850 436 Q CB 0.003 28.742 28.738 0.002 0.000 0.901 436 Q HN 0.268 nan 8.270 nan 0.000 0.429 437 N N -0.022 118.680 118.700 0.002 0.000 2.166 437 N HA -0.115 4.625 4.740 0.000 0.000 0.186 437 N C 1.817 177.328 175.510 0.003 0.000 1.019 437 N CA 0.896 53.947 53.050 0.002 0.000 0.856 437 N CB -0.217 38.271 38.487 0.002 0.000 0.993 437 N HN 0.050 nan 8.380 nan 0.000 0.426 438 V N 0.850 120.766 119.914 0.003 0.000 2.358 438 V HA -0.124 3.996 4.120 0.000 0.000 0.246 438 V C 2.445 178.542 176.094 0.004 0.000 1.047 438 V CA 1.948 64.250 62.300 0.003 0.000 1.035 438 V CB -1.198 30.627 31.823 0.004 0.000 0.658 438 V HN 0.323 nan 8.190 nan 0.000 0.452 439 G N 0.026 108.828 108.800 0.004 0.000 2.440 439 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 439 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 439 G C 1.582 176.485 174.900 0.004 0.000 1.154 439 G CA 1.157 46.259 45.100 0.004 0.000 0.767 439 G HN 0.490 nan 8.290 nan 0.000 0.552 440 I N 0.341 120.913 120.570 0.003 0.000 2.163 440 I HA -0.159 4.011 4.170 0.000 0.000 0.243 440 I C 2.732 178.852 176.117 0.004 0.000 1.085 440 I CA 1.079 62.381 61.300 0.003 0.000 1.347 440 I CB -0.073 37.928 38.000 0.003 0.000 1.044 440 I HN -0.000 nan 8.210 nan 0.000 0.408 441 K N 0.492 120.894 120.400 0.004 0.000 2.057 441 K HA -0.076 4.244 4.320 0.000 0.000 0.207 441 K C 2.165 178.768 176.600 0.005 0.000 1.049 441 K CA 1.028 57.317 56.287 0.005 0.000 0.931 441 K CB -0.807 31.696 32.500 0.004 0.000 0.714 441 K HN 0.198 nan 8.250 nan 0.000 0.440 442 V N 1.863 121.780 119.914 0.005 0.000 2.282 442 V HA -0.301 3.819 4.120 0.000 0.000 0.249 442 V C 2.505 178.603 176.094 0.007 0.000 1.057 442 V CA 2.183 64.487 62.300 0.006 0.000 1.032 442 V CB -0.876 30.951 31.823 0.006 0.000 0.645 442 V HN 0.324 nan 8.190 nan 0.000 0.447 443 A N -0.379 122.444 122.820 0.006 0.000 1.877 443 A HA -0.148 4.173 4.320 0.000 0.000 0.216 443 A C 2.190 179.778 177.584 0.007 0.000 1.186 443 A CA 1.845 53.886 52.037 0.006 0.000 0.620 443 A CB -0.539 18.464 19.000 0.004 0.000 0.822 443 A HN 0.517 nan 8.150 nan 0.000 0.443 444 L N -1.389 119.838 121.223 0.007 0.000 2.083 444 L HA -0.153 4.187 4.340 0.000 0.000 0.209 444 L C 2.812 179.687 176.870 0.009 0.000 1.083 444 L CA 1.603 56.448 54.840 0.008 0.000 0.752 444 L CB -0.531 41.532 42.059 0.008 0.000 0.899 444 L HN 0.425 nan 8.230 nan 0.000 0.433 445 R N 0.349 120.854 120.500 0.008 0.000 2.066 445 R HA -0.125 4.215 4.340 0.000 0.000 0.232 445 R C 2.405 178.711 176.300 0.009 0.000 1.131 445 R CA 1.335 57.439 56.100 0.008 0.000 0.955 445 R CB -0.236 30.068 30.300 0.007 0.000 0.851 445 R HN 0.324 nan 8.270 nan 0.000 0.432 446 A N 0.613 123.438 122.820 0.009 0.000 2.024 446 A HA -0.182 4.138 4.320 0.000 0.000 0.220 446 A C 2.066 179.657 177.584 0.011 0.000 1.164 446 A CA 1.424 53.467 52.037 0.010 0.000 0.643 446 A CB -0.435 18.572 19.000 0.011 0.000 0.806 446 A HN 0.346 nan 8.150 nan 0.000 0.451 447 M N -0.846 118.761 119.600 0.011 0.000 2.446 447 M HA -0.134 4.346 4.480 0.000 0.000 0.263 447 M C 1.546 177.855 176.300 0.014 0.000 1.066 447 M CA 1.160 56.468 55.300 0.013 0.000 1.087 447 M CB -0.200 32.408 32.600 0.013 0.000 1.406 447 M HN 0.486 nan 8.290 nan 0.000 0.459 448 E N -0.115 120.093 120.200 0.013 0.000 2.385 448 E HA 0.024 4.374 4.350 0.000 0.000 0.194 448 E C 2.065 178.670 176.600 0.009 0.000 1.013 448 E CA 0.460 56.867 56.400 0.012 0.000 0.866 448 E CB 0.075 29.781 29.700 0.011 0.000 0.832 448 E HN 0.476 nan 8.360 nan 0.000 0.500 449 A N 2.361 125.186 122.820 0.009 0.000 1.917 449 A HA -0.162 4.158 4.320 0.000 0.000 0.219 449 A C -0.340 177.248 177.584 0.007 0.000 1.182 449 A CA 1.436 53.477 52.037 0.007 0.000 0.633 449 A CB -1.427 17.578 19.000 0.008 0.000 0.819 449 A HN 0.142 nan 8.150 nan 0.000 0.448 450 P HA -0.153 nan 4.420 nan 0.000 0.214 450 P C 1.828 179.134 177.300 0.010 0.000 1.163 450 P CA 1.034 64.140 63.100 0.011 0.000 0.883 450 P CB -0.137 31.572 31.700 0.015 0.000 0.788 451 L N -0.814 120.415 121.223 0.010 0.000 2.083 451 L HA -0.178 4.162 4.340 0.000 0.000 0.209 451 L C 2.420 179.286 176.870 -0.007 0.000 1.083 451 L CA 1.720 56.565 54.840 0.009 0.000 0.752 451 L CB -0.270 41.796 42.059 0.012 0.000 0.899 451 L HN -0.194 nan 8.230 nan 0.000 0.433 452 R N -0.824 119.670 120.500 -0.010 0.000 2.081 452 R HA -0.208 4.132 4.340 0.000 0.000 0.235 452 R C 2.333 178.623 176.300 -0.016 0.000 1.131 452 R CA 1.605 57.692 56.100 -0.020 0.000 0.960 452 R CB -0.306 29.986 30.300 -0.013 0.000 0.856 452 R HN 0.365 nan 8.270 nan 0.000 0.436 453 Q N 0.979 120.776 119.800 -0.005 0.000 2.119 453 Q HA -0.052 4.288 4.340 0.000 0.000 0.201 453 Q C 1.778 177.779 176.000 0.001 0.000 0.972 453 Q CA 1.430 57.231 55.803 -0.002 0.000 0.847 453 Q CB -0.075 28.663 28.738 0.002 0.000 0.903 453 Q HN 0.343 nan 8.270 nan 0.000 0.433 454 I N -0.809 119.765 120.570 0.007 0.000 2.179 454 I HA -0.268 3.902 4.170 0.000 0.000 0.242 454 I C 1.971 178.105 176.117 0.029 0.000 1.088 454 I CA 0.931 62.243 61.300 0.020 0.000 1.357 454 I CB -0.256 37.763 38.000 0.032 0.000 1.051 454 I HN 0.068 nan 8.210 nan 0.000 0.409 455 V N 0.555 120.472 119.914 0.005 0.000 2.307 455 V HA -0.271 3.849 4.120 0.000 0.000 0.245 455 V C 2.383 178.465 176.094 -0.020 0.000 1.045 455 V CA 1.573 63.855 62.300 -0.030 0.000 1.024 455 V CB -0.505 31.229 31.823 -0.149 0.000 0.651 455 V HN 0.343 nan 8.190 nan 0.000 0.449 456 L N 0.871 122.081 121.223 -0.021 0.000 2.079 456 L HA -0.155 4.185 4.340 0.000 0.000 0.210 456 L C 2.090 178.959 176.870 -0.002 0.000 1.081 456 L CA 1.911 56.743 54.840 -0.014 0.000 0.752 456 L CB -0.824 41.228 42.059 -0.012 0.000 0.896 456 L HN 0.332 nan 8.230 nan 0.000 0.433 457 N N -1.593 117.110 118.700 0.004 0.000 2.520 457 N HA -0.118 4.622 4.740 0.000 0.000 0.185 457 N C 1.670 177.188 175.510 0.013 0.000 1.068 457 N CA 1.243 54.297 53.050 0.007 0.000 0.911 457 N CB -0.568 37.923 38.487 0.006 0.000 0.961 457 N HN 0.418 nan 8.380 nan 0.000 0.446 458 C N -1.003 118.311 119.300 0.024 0.000 2.514 458 C HA 0.266 4.727 4.460 0.000 0.000 0.271 458 C C 1.765 176.771 174.990 0.027 0.000 1.399 458 C CA 0.572 59.613 59.018 0.038 0.000 1.765 458 C CB -0.893 26.900 27.740 0.089 0.000 1.893 458 C HN 0.614 nan 8.230 nan 0.000 0.531 459 G N 0.577 109.386 108.800 0.014 0.000 2.157 459 G HA2 -0.145 3.815 3.960 0.000 0.000 0.239 459 G HA3 -0.145 3.815 3.960 0.000 0.000 0.239 459 G C -0.189 174.714 174.900 0.006 0.000 0.982 459 G CA 0.100 45.206 45.100 0.009 0.000 0.650 459 G HN 0.466 nan 8.290 nan 0.000 0.527 460 E N 0.385 120.584 120.200 -0.002 0.000 2.302 460 E HA 0.474 4.824 4.350 0.000 0.000 0.255 460 E C 0.162 176.733 176.600 -0.048 0.000 1.099 460 E CA -0.662 55.723 56.400 -0.025 0.000 0.929 460 E CB 0.564 30.232 29.700 -0.053 0.000 1.203 460 E HN 0.500 nan 8.360 nan 0.000 0.459 461 E N 1.554 121.719 120.200 -0.059 0.000 2.105 461 E HA 0.126 4.476 4.350 0.000 0.000 0.285 461 E C -1.750 174.804 176.600 -0.076 0.000 1.055 461 E CA -1.600 54.769 56.400 -0.051 0.000 0.843 461 E CB 0.940 30.622 29.700 -0.030 0.000 1.067 461 E HN 0.128 nan 8.360 nan 0.000 0.398 462 P HA -0.217 nan 4.420 nan 0.000 0.215 462 P C 1.124 178.394 177.300 -0.050 0.000 1.163 462 P CA 1.255 64.317 63.100 -0.064 0.000 0.894 462 P CB 0.290 31.967 31.700 -0.038 0.000 0.791 463 S N -1.097 114.584 115.700 -0.031 0.000 2.399 463 S HA -0.095 4.375 4.470 0.000 0.000 0.231 463 S C 1.955 176.547 174.600 -0.013 0.000 1.022 463 S CA 0.996 59.185 58.200 -0.017 0.000 0.983 463 S CB -1.059 62.135 63.200 -0.010 0.000 0.803 463 S HN -0.062 nan 8.310 nan 0.000 0.480 464 V N 1.209 121.112 119.914 -0.019 0.000 2.270 464 V HA -0.114 4.006 4.120 0.000 0.000 0.245 464 V C 2.298 178.398 176.094 0.010 0.000 1.043 464 V CA 1.414 63.711 62.300 -0.004 0.000 1.014 464 V CB -0.675 31.147 31.823 -0.002 0.000 0.645 464 V HN 0.337 nan 8.190 nan 0.000 0.447 465 V N 0.419 120.307 119.914 -0.044 0.000 2.295 465 V HA -0.237 3.883 4.120 0.000 0.000 0.246 465 V C 2.726 178.832 176.094 0.020 0.000 1.049 465 V CA 1.979 64.247 62.300 -0.054 0.000 1.024 465 V CB -1.228 30.348 31.823 -0.412 0.000 0.648 465 V HN 0.545 nan 8.190 nan 0.000 0.447 466 A N 0.423 123.233 122.820 -0.015 0.000 1.908 466 A HA -0.309 4.011 4.320 0.000 0.000 0.218 466 A C 2.072 179.682 177.584 0.043 0.000 1.181 466 A CA 2.440 54.486 52.037 0.015 0.000 0.627 466 A CB -0.903 18.097 19.000 0.000 0.000 0.818 466 A HN 0.618 nan 8.150 nan 0.000 0.445 467 N N -0.771 117.948 118.700 0.033 0.000 2.120 467 N HA -0.120 4.620 4.740 0.000 0.000 0.188 467 N C 1.702 177.242 175.510 0.050 0.000 1.024 467 N CA 2.255 55.325 53.050 0.032 0.000 0.852 467 N CB -0.320 38.177 38.487 0.017 0.000 1.003 467 N HN 0.410 nan 8.380 nan 0.000 0.424 468 T N -0.549 114.046 114.554 0.067 0.000 2.737 468 T HA -0.068 4.283 4.350 0.000 0.000 0.265 468 T C 1.959 176.775 174.700 0.193 0.000 1.038 468 T CA 1.238 63.374 62.100 0.061 0.000 1.144 468 T CB -0.447 68.390 68.868 -0.051 0.000 0.866 468 T HN 0.006 nan 8.240 nan 0.000 0.434 469 V N 1.649 121.712 119.914 0.249 0.000 2.332 469 V HA -0.180 3.940 4.120 0.000 0.000 0.248 469 V C 2.435 178.666 176.094 0.229 0.000 1.055 469 V CA 1.585 64.054 62.300 0.282 0.000 1.038 469 V CB -0.492 31.433 31.823 0.171 0.000 0.651 469 V HN 0.472 nan 8.190 nan 0.000 0.450 470 K N 0.120 120.601 120.400 0.134 0.000 2.283 470 K HA -0.081 4.239 4.320 0.000 0.000 0.202 470 K C 2.149 178.794 176.600 0.075 0.000 1.048 470 K CA 1.184 57.525 56.287 0.091 0.000 0.948 470 K CB -0.459 32.075 32.500 0.056 0.000 0.742 470 K HN 0.581 nan 8.250 nan 0.000 0.458 471 G N 1.077 109.921 108.800 0.074 0.000 2.448 471 G HA2 -0.087 3.873 3.960 0.000 0.000 0.218 471 G HA3 -0.087 3.873 3.960 0.000 0.000 0.218 471 G C 0.804 175.695 174.900 -0.014 0.000 1.135 471 G CA 0.655 45.767 45.100 0.019 0.000 0.784 471 G HN 0.365 nan 8.290 nan 0.000 0.543 472 G N -0.227 108.596 108.800 0.038 0.000 2.543 472 G HA2 0.514 4.474 3.960 0.000 0.000 0.267 472 G HA3 0.514 4.474 3.960 0.000 0.000 0.267 472 G C -0.745 174.182 174.900 0.045 0.000 1.406 472 G CA 0.216 45.265 45.100 -0.084 0.000 1.048 472 G HN 0.379 nan 8.290 nan 0.000 0.548 473 D N -3.672 116.762 120.400 0.056 0.000 2.692 473 D HA 0.528 5.168 4.640 0.000 0.000 0.303 473 D C 0.667 177.031 176.300 0.107 0.000 1.278 473 D CA 0.373 54.420 54.000 0.078 0.000 0.852 473 D CB 0.465 41.281 40.800 0.027 0.000 1.375 473 D HN 1.568 nan 8.370 nan 0.000 0.453 474 G N 0.509 109.357 108.800 0.081 0.000 2.596 474 G HA2 -0.375 3.585 3.960 0.000 0.000 0.295 474 G HA3 -0.375 3.585 3.960 0.000 0.000 0.295 474 G C 0.371 175.334 174.900 0.105 0.000 1.240 474 G CA 0.546 45.693 45.100 0.078 0.000 0.985 474 G HN 0.759 nan 8.290 nan 0.000 0.555 475 N N -0.043 118.720 118.700 0.106 0.000 2.501 475 N HA 0.182 4.923 4.740 0.000 0.000 0.195 475 N C 0.324 175.925 175.510 0.151 0.000 1.213 475 N CA 0.018 53.130 53.050 0.103 0.000 0.864 475 N CB 0.090 38.621 38.487 0.074 0.000 0.999 475 N HN 0.465 nan 8.380 nan 0.000 0.454 476 Y N 1.439 121.773 120.300 0.057 0.000 2.465 476 Y HA 0.358 4.908 4.550 0.000 0.000 0.331 476 Y C 0.655 176.626 175.900 0.118 0.000 1.102 476 Y CA -0.046 58.105 58.100 0.085 0.000 1.358 476 Y CB 0.119 38.623 38.460 0.074 0.000 1.213 476 Y HN -0.023 nan 8.280 nan 0.000 0.525 477 G N 4.196 112.802 108.800 -0.323 0.000 2.663 477 G HA2 0.271 4.231 3.960 0.000 0.000 0.299 477 G HA3 0.271 4.231 3.960 0.000 0.000 0.299 477 G C -2.471 172.303 174.900 -0.211 0.000 1.372 477 G CA -0.936 44.042 45.100 -0.203 0.000 0.781 477 G HN 0.506 nan 8.290 nan 0.000 0.491 478 Y N 1.465 121.596 120.300 -0.282 0.000 2.328 478 Y HA 0.552 5.102 4.550 0.000 0.000 0.337 478 Y C 0.017 175.751 175.900 -0.276 0.000 1.008 478 Y CA -1.294 56.548 58.100 -0.429 0.000 1.129 478 Y CB 1.460 39.639 38.460 -0.468 0.000 1.185 478 Y HN 0.420 nan 8.280 nan 0.000 0.476 479 N N 4.785 123.060 118.700 -0.709 0.000 2.439 479 N HA 0.170 4.910 4.740 0.000 0.000 0.243 479 N C 0.371 175.439 175.510 -0.737 0.000 1.088 479 N CA 0.512 53.251 53.050 -0.518 0.000 0.940 479 N CB 1.353 39.621 38.487 -0.365 0.000 1.180 479 N HN 0.903 nan 8.380 nan 0.000 0.505 480 A N 3.514 126.078 122.820 -0.428 0.000 2.121 480 A HA 0.022 4.342 4.320 0.000 0.000 0.218 480 A C 1.947 179.417 177.584 -0.190 0.000 1.154 480 A CA 1.430 53.313 52.037 -0.258 0.000 0.679 480 A CB -0.271 18.715 19.000 -0.023 0.000 0.795 480 A HN 0.699 nan 8.150 nan 0.000 0.458 481 A N -0.412 122.298 122.820 -0.183 0.000 1.930 481 A HA 0.006 4.326 4.320 0.000 0.000 0.215 481 A C 2.281 179.785 177.584 -0.134 0.000 1.176 481 A CA 2.118 54.082 52.037 -0.123 0.000 0.632 481 A CB -0.730 18.211 19.000 -0.097 0.000 0.819 481 A HN 0.713 nan 8.150 nan 0.000 0.445 482 T N -3.947 110.492 114.554 -0.192 0.000 3.001 482 T HA 0.206 4.556 4.350 0.000 0.000 0.251 482 T C 0.230 174.807 174.700 -0.206 0.000 1.040 482 T CA 0.652 62.654 62.100 -0.163 0.000 0.985 482 T CB -0.158 68.624 68.868 -0.143 0.000 1.011 482 T HN 0.532 nan 8.240 nan 0.000 0.509 483 E N 1.144 121.119 120.200 -0.376 0.000 2.513 483 E HA -0.126 4.224 4.350 0.000 0.000 0.257 483 E C -0.904 175.459 176.600 -0.395 0.000 1.098 483 E CA 0.516 56.646 56.400 -0.450 0.000 0.752 483 E CB -1.399 28.258 29.700 -0.073 0.000 1.324 483 E HN 0.644 nan 8.360 nan 0.000 0.403 484 E N -0.172 119.723 120.200 -0.509 0.000 2.288 484 E HA 0.417 4.767 4.350 0.000 0.000 0.268 484 E C -0.336 176.061 176.600 -0.340 0.000 0.885 484 E CA -0.738 55.516 56.400 -0.243 0.000 0.767 484 E CB 0.978 30.611 29.700 -0.111 0.000 1.220 484 E HN 0.040 nan 8.360 nan 0.000 0.427 485 Y N 0.112 120.386 120.300 -0.043 0.000 2.298 485 Y HA 0.568 5.118 4.550 0.000 0.000 0.329 485 Y C 1.273 177.126 175.900 -0.079 0.000 1.293 485 Y CA 0.707 58.750 58.100 -0.096 0.000 1.388 485 Y CB 1.429 39.873 38.460 -0.026 0.000 1.309 485 Y HN 0.674 nan 8.280 nan 0.000 0.544 486 G N 0.478 109.289 108.800 0.017 0.000 2.323 486 G HA2 -0.014 3.946 3.960 0.000 0.000 0.291 486 G HA3 -0.014 3.946 3.960 0.000 0.000 0.291 486 G C -1.876 173.071 174.900 0.079 0.000 1.278 486 G CA -1.159 43.999 45.100 0.098 0.000 0.860 486 G HN 0.509 nan 8.290 nan 0.000 0.504 487 N N 1.120 119.875 118.700 0.092 0.000 2.406 487 N HA 0.150 4.890 4.740 0.000 0.000 0.251 487 N C 1.675 177.202 175.510 0.029 0.000 1.069 487 N CA -0.559 52.541 53.050 0.083 0.000 0.947 487 N CB 0.879 39.414 38.487 0.079 0.000 1.111 487 N HN 0.354 nan 8.380 nan 0.000 0.497 488 M N 3.345 122.955 119.600 0.017 0.000 2.149 488 M HA -0.169 4.312 4.480 0.000 0.000 0.261 488 M C 1.615 177.916 176.300 0.002 0.000 1.064 488 M CA 1.115 56.412 55.300 -0.005 0.000 1.102 488 M CB -0.614 31.985 32.600 -0.002 0.000 1.369 488 M HN 0.542 nan 8.290 nan 0.000 0.408 489 I N 0.440 121.020 120.570 0.017 0.000 2.202 489 I HA -0.243 3.927 4.170 0.000 0.000 0.242 489 I C 1.928 178.052 176.117 0.011 0.000 1.091 489 I CA 1.395 62.704 61.300 0.015 0.000 1.368 489 I CB -1.610 36.403 38.000 0.021 0.000 1.058 489 I HN 0.236 nan 8.210 nan 0.000 0.410 490 D N 0.507 120.917 120.400 0.016 0.000 2.178 490 D HA -0.134 4.506 4.640 0.000 0.000 0.201 490 D C 2.177 178.478 176.300 0.002 0.000 0.980 490 D CA 1.072 55.080 54.000 0.012 0.000 0.842 490 D CB -0.101 40.711 40.800 0.021 0.000 0.948 490 D HN 0.346 nan 8.370 nan 0.000 0.472 491 M N -0.681 118.915 119.600 -0.005 0.000 2.618 491 M HA 0.142 4.623 4.480 0.000 0.000 0.240 491 M C 0.927 177.214 176.300 -0.022 0.000 1.123 491 M CA 0.380 55.668 55.300 -0.021 0.000 1.060 491 M CB 0.498 33.074 32.600 -0.040 0.000 1.535 491 M HN 0.004 nan 8.290 nan 0.000 0.507 492 G N 2.381 111.173 108.800 -0.012 0.000 2.246 492 G HA2 -0.243 3.717 3.960 0.000 0.000 0.273 492 G HA3 -0.243 3.717 3.960 0.000 0.000 0.273 492 G C -0.118 174.773 174.900 -0.015 0.000 1.055 492 G CA -0.172 44.921 45.100 -0.011 0.000 0.851 492 G HN 0.546 nan 8.290 nan 0.000 0.500 493 I N 0.801 121.361 120.570 -0.017 0.000 2.412 493 I HA 0.455 4.625 4.170 0.000 0.000 0.279 493 I C 0.416 176.529 176.117 -0.007 0.000 1.063 493 I CA -0.535 60.754 61.300 -0.019 0.000 1.193 493 I CB 0.513 38.492 38.000 -0.034 0.000 1.370 493 I HN 0.018 nan 8.210 nan 0.000 0.479 494 L N 4.329 125.552 121.223 -0.001 0.000 2.341 494 L HA 0.690 5.030 4.340 0.000 0.000 0.267 494 L C -1.010 175.866 176.870 0.010 0.000 1.009 494 L CA -0.953 53.890 54.840 0.006 0.000 0.819 494 L CB 2.070 44.134 42.059 0.008 0.000 1.323 494 L HN 0.276 nan 8.230 nan 0.000 0.425 495 D N 0.883 121.291 120.400 0.014 0.000 2.619 495 D HA 0.405 5.045 4.640 0.000 0.000 0.241 495 D C -2.628 173.685 176.300 0.022 0.000 1.087 495 D CA -1.485 52.526 54.000 0.019 0.000 0.851 495 D CB 2.376 43.188 40.800 0.020 0.000 1.474 495 D HN 0.122 nan 8.370 nan 0.000 0.478 496 P HA 0.099 nan 4.420 nan 0.000 0.271 496 P C 0.804 178.119 177.300 0.025 0.000 1.220 496 P CA -0.021 63.095 63.100 0.026 0.000 0.768 496 P CB 0.684 32.405 31.700 0.035 0.000 0.848 497 T N 2.473 117.038 114.554 0.019 0.000 2.737 497 T HA -0.221 4.129 4.350 0.000 0.000 0.269 497 T C 1.617 176.328 174.700 0.018 0.000 1.040 497 T CA 1.312 63.422 62.100 0.016 0.000 1.142 497 T CB -0.274 68.600 68.868 0.012 0.000 0.861 497 T HN 0.494 nan 8.240 nan 0.000 0.456 498 K N 0.733 121.145 120.400 0.020 0.000 2.057 498 K HA -0.099 4.222 4.320 0.000 0.000 0.207 498 K C 2.433 179.058 176.600 0.041 0.000 1.049 498 K CA 1.467 57.769 56.287 0.025 0.000 0.931 498 K CB -0.362 32.151 32.500 0.022 0.000 0.714 498 K HN 0.324 nan 8.250 nan 0.000 0.440 499 V N 0.275 120.218 119.914 0.049 0.000 2.453 499 V HA -0.147 3.973 4.120 0.000 0.000 0.247 499 V C 1.683 177.808 176.094 0.052 0.000 1.048 499 V CA 2.331 64.668 62.300 0.062 0.000 1.049 499 V CB -0.463 31.398 31.823 0.065 0.000 0.672 499 V HN 0.344 nan 8.190 nan 0.000 0.457 500 T N 0.621 115.197 114.554 0.037 0.000 2.708 500 T HA -0.169 4.181 4.350 0.000 0.000 0.266 500 T C 1.965 176.680 174.700 0.025 0.000 1.037 500 T CA 2.072 64.190 62.100 0.030 0.000 1.146 500 T CB -0.390 68.492 68.868 0.023 0.000 0.865 500 T HN 0.599 nan 8.240 nan 0.000 0.435 501 R N 0.924 121.434 120.500 0.016 0.000 2.073 501 R HA -0.089 4.251 4.340 0.000 0.000 0.234 501 R C 2.539 178.831 176.300 -0.013 0.000 1.134 501 R CA 1.751 57.849 56.100 -0.003 0.000 0.952 501 R CB -0.362 29.932 30.300 -0.010 0.000 0.850 501 R HN 0.246 nan 8.270 nan 0.000 0.433 502 S N 0.570 116.283 115.700 0.022 0.000 2.368 502 S HA -0.114 4.357 4.470 0.000 0.000 0.225 502 S C 2.022 176.702 174.600 0.133 0.000 1.030 502 S CA 1.116 59.353 58.200 0.062 0.000 0.999 502 S CB -0.248 63.062 63.200 0.183 0.000 0.844 502 S HN 0.574 nan 8.310 nan 0.000 0.459 503 A N 1.474 124.363 122.820 0.114 0.000 1.883 503 A HA -0.101 4.220 4.320 0.000 0.000 0.217 503 A C 2.150 179.781 177.584 0.080 0.000 1.186 503 A CA 1.600 53.703 52.037 0.111 0.000 0.624 503 A CB -0.798 18.243 19.000 0.069 0.000 0.822 503 A HN 0.420 nan 8.150 nan 0.000 0.444 504 L N -0.305 120.939 121.223 0.035 0.000 2.056 504 L HA -0.177 4.163 4.340 0.000 0.000 0.207 504 L C 2.487 179.348 176.870 -0.015 0.000 1.078 504 L CA 2.270 57.117 54.840 0.012 0.000 0.749 504 L CB -0.643 41.416 42.059 -0.000 0.000 0.901 504 L HN 0.510 nan 8.230 nan 0.000 0.433 505 Q N -1.898 117.857 119.800 -0.075 0.000 2.079 505 Q HA -0.196 4.145 4.340 0.000 0.000 0.200 505 Q C 2.141 178.039 176.000 -0.169 0.000 0.974 505 Q CA 1.828 57.530 55.803 -0.168 0.000 0.840 505 Q CB -0.269 28.290 28.738 -0.297 0.000 0.898 505 Q HN 0.509 nan 8.270 nan 0.000 0.430 506 Y N 0.223 120.527 120.300 0.005 0.000 2.242 506 Y HA -0.128 4.422 4.550 0.000 0.000 0.291 506 Y C 2.349 178.251 175.900 0.004 0.000 1.137 506 Y CA 0.875 58.978 58.100 0.004 0.000 1.181 506 Y CB -0.611 37.852 38.460 0.004 0.000 0.989 506 Y HN 0.127 nan 8.280 nan 0.000 0.527 507 A N 0.043 122.949 122.820 0.143 0.000 1.877 507 A HA -0.138 4.182 4.320 0.000 0.000 0.216 507 A C 2.467 180.084 177.584 0.056 0.000 1.186 507 A CA 1.962 54.050 52.037 0.085 0.000 0.620 507 A CB -1.221 17.814 19.000 0.059 0.000 0.822 507 A HN 0.379 nan 8.150 nan 0.000 0.443 508 A N -0.873 121.967 122.820 0.033 0.000 1.930 508 A HA -0.063 4.257 4.320 0.000 0.000 0.217 508 A C 2.461 180.056 177.584 0.020 0.000 1.175 508 A CA 2.095 54.142 52.037 0.016 0.000 0.627 508 A CB -0.932 18.066 19.000 -0.004 0.000 0.815 508 A HN 0.593 nan 8.150 nan 0.000 0.443 509 S N -0.424 115.291 115.700 0.026 0.000 2.351 509 S HA -0.151 4.319 4.470 0.000 0.000 0.220 509 S C 1.917 176.548 174.600 0.051 0.000 1.035 509 S CA 1.938 60.160 58.200 0.037 0.000 1.031 509 S CB -0.567 62.671 63.200 0.063 0.000 0.928 509 S HN 0.313 nan 8.310 nan 0.000 0.433 510 V N 2.280 122.237 119.914 0.071 0.000 2.427 510 V HA -0.078 4.042 4.120 0.000 0.000 0.248 510 V C 2.892 179.008 176.094 0.038 0.000 1.051 510 V CA 1.663 63.996 62.300 0.055 0.000 1.048 510 V CB -1.428 30.429 31.823 0.057 0.000 0.666 510 V HN 0.629 nan 8.190 nan 0.000 0.456 511 A N 0.725 123.567 122.820 0.035 0.000 1.902 511 A HA -0.103 4.217 4.320 0.000 0.000 0.217 511 A C 2.439 180.036 177.584 0.021 0.000 1.181 511 A CA 1.957 54.010 52.037 0.026 0.000 0.623 511 A CB -1.246 17.768 19.000 0.023 0.000 0.818 511 A HN 0.521 nan 8.150 nan 0.000 0.443 512 G N -0.177 108.636 108.800 0.021 0.000 2.442 512 G HA2 -0.176 3.784 3.960 0.000 0.000 0.219 512 G HA3 -0.176 3.784 3.960 0.000 0.000 0.219 512 G C 1.556 176.466 174.900 0.018 0.000 1.141 512 G CA 1.074 46.184 45.100 0.016 0.000 0.763 512 G HN 0.441 nan 8.290 nan 0.000 0.554 513 L N -0.258 120.978 121.223 0.021 0.000 2.017 513 L HA -0.053 4.287 4.340 0.000 0.000 0.208 513 L C 3.149 180.031 176.870 0.019 0.000 1.073 513 L CA 1.083 55.935 54.840 0.020 0.000 0.745 513 L CB -0.377 41.696 42.059 0.023 0.000 0.894 513 L HN 0.218 nan 8.230 nan 0.000 0.432 514 M N -0.447 119.165 119.600 0.020 0.000 2.086 514 M HA -0.234 4.247 4.480 0.000 0.000 0.261 514 M C 2.337 178.647 176.300 0.017 0.000 1.067 514 M CA 1.902 57.214 55.300 0.019 0.000 1.116 514 M CB -0.461 32.151 32.600 0.020 0.000 1.348 514 M HN 0.209 nan 8.290 nan 0.000 0.407 515 I N 0.083 120.663 120.570 0.016 0.000 2.454 515 I HA -0.221 3.949 4.170 0.000 0.000 0.254 515 I C 1.876 178.003 176.117 0.016 0.000 1.156 515 I CA 1.473 62.782 61.300 0.015 0.000 1.433 515 I CB -0.477 37.532 38.000 0.014 0.000 1.082 515 I HN 0.419 nan 8.210 nan 0.000 0.432 516 T N -3.560 111.004 114.554 0.017 0.000 3.186 516 T HA 0.144 4.494 4.350 0.000 0.000 0.257 516 T C 0.596 175.308 174.700 0.020 0.000 1.029 516 T CA -0.272 61.839 62.100 0.018 0.000 0.916 516 T CB -0.392 68.486 68.868 0.016 0.000 1.041 516 T HN -0.055 nan 8.240 nan 0.000 0.562 517 T N 2.535 117.100 114.554 0.019 0.000 2.780 517 T HA 0.276 4.626 4.350 0.000 0.000 0.294 517 T C 0.665 175.378 174.700 0.021 0.000 0.949 517 T CA -0.440 61.670 62.100 0.017 0.000 1.074 517 T CB 1.411 70.287 68.868 0.013 0.000 0.910 517 T HN 0.093 nan 8.240 nan 0.000 0.501 518 E N 0.564 120.780 120.200 0.027 0.000 2.413 518 E HA 0.165 4.515 4.350 0.000 0.000 0.203 518 E C 0.214 176.831 176.600 0.030 0.000 0.957 518 E CA 0.149 56.582 56.400 0.055 0.000 0.950 518 E CB 0.648 30.405 29.700 0.094 0.000 0.957 518 E HN 0.606 nan 8.360 nan 0.000 0.497 519 C N 0.475 119.740 119.300 -0.057 0.000 2.985 519 C HA 0.682 5.142 4.460 0.000 0.000 0.332 519 C C -1.353 173.536 174.990 -0.168 0.000 1.164 519 C CA -0.677 58.191 59.018 -0.251 0.000 1.347 519 C CB 0.394 27.909 27.740 -0.374 0.000 1.764 519 C HN 0.110 nan 8.230 nan 0.000 0.489 520 M N 4.861 124.362 119.600 -0.165 0.000 2.395 520 M HA 0.640 5.120 4.480 0.000 0.000 0.307 520 M C -1.054 175.296 176.300 0.084 0.000 1.091 520 M CA -0.606 54.713 55.300 0.032 0.000 0.919 520 M CB 2.153 34.893 32.600 0.234 0.000 1.662 520 M HN 0.430 nan 8.290 nan 0.000 0.440 521 V N 1.151 121.083 119.914 0.030 0.000 2.540 521 V HA 0.787 4.907 4.120 0.000 0.000 0.302 521 V C -0.354 175.688 176.094 -0.087 0.000 1.035 521 V CA -0.432 61.866 62.300 -0.003 0.000 0.873 521 V CB 1.965 33.769 31.823 -0.032 0.000 0.992 521 V HN 0.953 nan 8.190 nan 0.000 0.428 522 T N 1.771 116.228 114.554 -0.161 0.000 2.821 522 T HA 0.387 4.737 4.350 0.000 0.000 0.306 522 T C -1.432 173.157 174.700 -0.186 0.000 1.313 522 T CA -0.566 61.379 62.100 -0.260 0.000 1.012 522 T CB 1.871 70.408 68.868 -0.551 0.000 1.298 522 T HN 0.648 nan 8.240 nan 0.000 0.502 523 D N 1.786 122.092 120.400 -0.155 0.000 2.423 523 D HA 0.272 4.913 4.640 0.000 0.000 0.238 523 D C 0.046 176.287 176.300 -0.099 0.000 1.142 523 D CA -0.069 53.871 54.000 -0.098 0.000 0.884 523 D CB 0.385 41.138 40.800 -0.080 0.000 1.199 523 D HN 0.269 nan 8.370 nan 0.000 0.438 524 L N 4.098 125.293 121.223 -0.047 0.000 2.453 524 L HA 0.188 4.528 4.340 0.000 0.000 0.272 524 L C -1.756 175.097 176.870 -0.028 0.000 1.182 524 L CA -1.367 53.462 54.840 -0.020 0.000 0.858 524 L CB 0.235 42.296 42.059 0.004 0.000 1.120 524 L HN 0.290 nan 8.230 nan 0.000 0.474 525 P HA 0.060 nan 4.420 nan 0.000 0.252 525 P C -0.979 176.315 177.300 -0.009 0.000 1.694 525 P CA 0.327 63.416 63.100 -0.018 0.000 1.163 525 P CB -0.060 31.639 31.700 -0.001 0.000 1.934 526 K N 0.000 120.392 120.400 -0.014 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 526 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543