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 1j4z_1_K DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL 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 KKARVEAALH 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 0.000 177.584 177.584 0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 3 A N 1.296 124.115 122.820 -0.003 0.000 2.547 3 A HA 0.387 4.707 4.320 0.000 0.000 0.269 3 A C 0.437 178.018 177.584 -0.006 0.000 1.041 3 A CA 0.695 52.730 52.037 -0.003 0.000 0.855 3 A CB -0.726 18.270 19.000 -0.008 0.000 0.934 3 A HN 0.551 nan 8.150 nan 0.000 0.521 4 K N 1.867 122.268 120.400 0.003 0.000 2.109 4 K HA 0.406 4.726 4.320 0.000 0.000 0.243 4 K C -0.538 176.064 176.600 0.003 0.000 1.006 4 K CA -0.638 55.654 56.287 0.007 0.000 0.917 4 K CB 0.884 33.398 32.500 0.024 0.000 1.081 4 K HN 0.728 nan 8.250 nan 0.000 0.468 5 D N 0.264 120.671 120.400 0.012 0.000 2.350 5 D HA 0.418 5.058 4.640 0.000 0.000 0.245 5 D C -1.467 174.889 176.300 0.093 0.000 1.036 5 D CA -0.697 53.314 54.000 0.019 0.000 0.848 5 D CB 1.471 42.243 40.800 -0.046 0.000 1.307 5 D HN 0.047 nan 8.370 nan 0.000 0.469 6 V N 3.800 123.723 119.914 0.014 0.000 2.623 6 V HA 0.440 4.560 4.120 0.000 0.000 0.304 6 V C -0.253 175.611 176.094 -0.384 0.000 1.054 6 V CA -0.758 61.462 62.300 -0.133 0.000 0.882 6 V CB 2.044 33.743 31.823 -0.205 0.000 1.002 6 V HN 0.457 nan 8.190 nan 0.000 0.424 7 K N 3.444 123.555 120.400 -0.482 0.000 2.318 7 K HA 0.820 5.140 4.320 0.000 0.000 0.249 7 K C -1.703 174.546 176.600 -0.584 0.000 0.942 7 K CA -0.497 55.459 56.287 -0.552 0.000 0.808 7 K CB 2.335 34.641 32.500 -0.323 0.000 1.189 7 K HN 0.443 nan 8.250 nan 0.000 0.428 8 F N -0.271 119.635 119.950 -0.073 0.000 2.640 8 F HA 0.584 5.111 4.527 0.000 0.000 0.324 8 F C 0.890 176.656 175.800 -0.057 0.000 1.077 8 F CA -0.450 57.509 58.000 -0.068 0.000 0.965 8 F CB 1.178 40.155 39.000 -0.038 0.000 1.351 8 F HN 0.769 nan 8.300 nan 0.000 0.487 9 G N 1.272 110.173 108.800 0.169 0.000 2.601 9 G HA2 -0.335 3.625 3.960 0.000 0.000 0.261 9 G HA3 -0.335 3.625 3.960 0.000 0.000 0.261 9 G C 0.808 175.728 174.900 0.032 0.000 1.289 9 G CA 0.409 45.554 45.100 0.075 0.000 0.920 9 G HN 0.831 nan 8.290 nan 0.000 0.571 10 N N 0.260 118.974 118.700 0.023 0.000 2.100 10 N HA -0.277 4.463 4.740 0.000 0.000 0.199 10 N C 1.736 177.245 175.510 -0.002 0.000 1.017 10 N CA 2.294 55.350 53.050 0.010 0.000 0.890 10 N CB -0.387 38.108 38.487 0.013 0.000 1.080 10 N HN 0.694 nan 8.380 nan 0.000 0.525 11 D N 0.734 121.135 120.400 0.001 0.000 2.303 11 D HA -0.259 4.381 4.640 0.000 0.000 0.190 11 D C 1.836 178.096 176.300 -0.067 0.000 1.011 11 D CA 1.867 55.861 54.000 -0.012 0.000 0.860 11 D CB -0.760 40.036 40.800 -0.006 0.000 0.961 11 D HN 0.431 nan 8.370 nan 0.000 0.453 12 A N -0.013 122.737 122.820 -0.117 0.000 2.032 12 A HA -0.257 4.063 4.320 0.000 0.000 0.221 12 A C 2.121 179.611 177.584 -0.157 0.000 1.165 12 A CA 1.918 53.819 52.037 -0.227 0.000 0.645 12 A CB -0.371 18.535 19.000 -0.156 0.000 0.807 12 A HN 0.183 nan 8.150 nan 0.000 0.453 13 R N -1.081 119.375 120.500 -0.073 0.000 2.062 13 R HA 0.015 4.355 4.340 0.000 0.000 0.218 13 R C 2.227 178.512 176.300 -0.024 0.000 1.161 13 R CA 1.102 57.176 56.100 -0.043 0.000 0.994 13 R CB -0.767 29.520 30.300 -0.022 0.000 0.888 13 R HN 0.502 nan 8.270 nan 0.000 0.442 14 V N 0.907 120.814 119.914 -0.011 0.000 2.428 14 V HA -0.296 3.824 4.120 0.000 0.000 0.255 14 V C 1.872 177.974 176.094 0.013 0.000 1.080 14 V CA 1.701 64.003 62.300 0.004 0.000 1.083 14 V CB -0.526 31.303 31.823 0.010 0.000 0.665 14 V HN 0.148 nan 8.190 nan 0.000 0.461 15 K N -0.072 120.336 120.400 0.014 0.000 2.002 15 K HA -0.013 4.307 4.320 0.000 0.000 0.209 15 K C 2.273 178.896 176.600 0.039 0.000 1.048 15 K CA 2.139 58.458 56.287 0.054 0.000 0.930 15 K CB -0.576 31.985 32.500 0.102 0.000 0.714 15 K HN 0.548 nan 8.250 nan 0.000 0.438 16 M N 0.518 120.120 119.600 0.002 0.000 2.080 16 M HA -0.218 4.262 4.480 0.000 0.000 0.260 16 M C 2.224 178.530 176.300 0.010 0.000 1.068 16 M CA 1.273 56.575 55.300 0.004 0.000 1.109 16 M CB -0.455 32.134 32.600 -0.019 0.000 1.342 16 M HN 0.073 nan 8.290 nan 0.000 0.405 17 L N 0.791 122.017 121.223 0.005 0.000 1.943 17 L HA -0.227 4.113 4.340 0.000 0.000 0.215 17 L C 2.430 179.306 176.870 0.011 0.000 1.074 17 L CA 2.122 56.966 54.840 0.007 0.000 0.759 17 L CB -1.028 41.034 42.059 0.005 0.000 0.888 17 L HN 0.163 nan 8.230 nan 0.000 0.433 18 R N 0.319 120.828 120.500 0.015 0.000 2.154 18 R HA -0.134 4.206 4.340 0.000 0.000 0.248 18 R C 2.097 178.409 176.300 0.019 0.000 1.155 18 R CA 1.805 57.915 56.100 0.017 0.000 0.979 18 R CB -1.531 28.782 30.300 0.022 0.000 0.869 18 R HN 0.631 nan 8.270 nan 0.000 0.452 19 G N -0.592 108.223 108.800 0.025 0.000 2.408 19 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 19 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 19 G C 1.418 176.328 174.900 0.017 0.000 1.150 19 G CA 0.985 46.101 45.100 0.027 0.000 0.776 19 G HN 0.365 nan 8.290 nan 0.000 0.542 20 V N -1.048 118.874 119.914 0.013 0.000 2.488 20 V HA -0.009 4.111 4.120 0.000 0.000 0.246 20 V C 2.202 178.300 176.094 0.006 0.000 1.046 20 V CA 1.660 63.965 62.300 0.009 0.000 1.053 20 V CB -0.669 31.158 31.823 0.007 0.000 0.679 20 V HN 0.135 nan 8.190 nan 0.000 0.458 21 N N 1.035 119.739 118.700 0.007 0.000 2.247 21 N HA -0.142 4.598 4.740 0.000 0.000 0.189 21 N C 1.626 177.138 175.510 0.003 0.000 1.009 21 N CA 1.720 54.773 53.050 0.005 0.000 0.872 21 N CB -0.463 38.027 38.487 0.005 0.000 0.980 21 N HN 0.534 nan 8.380 nan 0.000 0.436 22 V N 0.658 120.574 119.914 0.004 0.000 2.256 22 V HA -0.130 3.990 4.120 0.000 0.000 0.240 22 V C 2.321 178.415 176.094 0.000 0.000 1.036 22 V CA 0.835 63.136 62.300 0.002 0.000 1.008 22 V CB -0.662 31.163 31.823 0.003 0.000 0.648 22 V HN 0.174 nan 8.190 nan 0.000 0.453 23 L N 0.770 121.994 121.223 0.001 0.000 2.103 23 L HA -0.228 4.112 4.340 0.000 0.000 0.215 23 L C 2.222 179.091 176.870 -0.002 0.000 1.080 23 L CA 2.545 57.384 54.840 -0.001 0.000 0.764 23 L CB -1.010 41.048 42.059 -0.001 0.000 0.890 23 L HN 0.292 nan 8.230 nan 0.000 0.435 24 A N -0.821 121.999 122.820 -0.000 0.000 1.824 24 A HA -0.177 4.143 4.320 0.000 0.000 0.215 24 A C 1.938 179.521 177.584 -0.002 0.000 1.244 24 A CA 1.395 53.432 52.037 -0.000 0.000 0.604 24 A CB -1.188 17.812 19.000 0.001 0.000 0.900 24 A HN 0.486 nan 8.150 nan 0.000 0.455 25 D N 0.215 120.614 120.400 -0.002 0.000 2.276 25 D HA -0.174 4.466 4.640 0.000 0.000 0.200 25 D C 1.554 177.852 176.300 -0.004 0.000 1.004 25 D CA 1.623 55.621 54.000 -0.003 0.000 0.898 25 D CB -0.285 40.514 40.800 -0.002 0.000 0.906 25 D HN 0.444 nan 8.370 nan 0.000 0.457 26 A N -0.482 122.335 122.820 -0.003 0.000 2.379 26 A HA 0.286 4.606 4.320 0.000 0.000 0.236 26 A C 1.684 179.265 177.584 -0.005 0.000 1.272 26 A CA -0.048 51.986 52.037 -0.004 0.000 0.886 26 A CB 0.592 19.589 19.000 -0.005 0.000 0.962 26 A HN 0.133 nan 8.150 nan 0.000 0.504 27 V N -0.762 119.149 119.914 -0.005 0.000 3.245 27 V HA -0.027 4.093 4.120 0.000 0.000 0.246 27 V C 1.636 177.727 176.094 -0.005 0.000 1.487 27 V CA 0.868 63.165 62.300 -0.005 0.000 1.154 27 V CB 0.030 31.850 31.823 -0.005 0.000 0.971 27 V HN 0.667 nan 8.190 nan 0.000 0.443 28 K N 2.293 122.691 120.400 -0.004 0.000 2.687 28 K HA -0.007 4.313 4.320 0.000 0.000 0.197 28 K C 1.166 177.762 176.600 -0.007 0.000 1.018 28 K CA 1.452 57.736 56.287 -0.005 0.000 1.035 28 K CB -0.185 32.312 32.500 -0.005 0.000 0.834 28 K HN 0.527 nan 8.250 nan 0.000 0.496 29 V N -2.956 116.954 119.914 -0.006 0.000 2.908 29 V HA -0.028 4.092 4.120 0.000 0.000 0.240 29 V C 2.071 178.161 176.094 -0.005 0.000 1.117 29 V CA 0.693 62.989 62.300 -0.006 0.000 1.133 29 V CB -0.225 31.594 31.823 -0.006 0.000 0.857 29 V HN 0.428 nan 8.190 nan 0.000 0.478 30 T N -0.481 114.070 114.554 -0.005 0.000 3.400 30 T HA 0.127 4.477 4.350 0.000 0.000 0.254 30 T C 0.434 175.132 174.700 -0.004 0.000 1.153 30 T CA 0.129 62.226 62.100 -0.004 0.000 1.012 30 T CB -0.969 67.896 68.868 -0.005 0.000 0.994 30 T HN 0.267 nan 8.240 nan 0.000 0.555 31 L N 2.264 123.485 121.223 -0.004 0.000 2.361 31 L HA 0.578 4.918 4.340 0.000 0.000 0.278 31 L C 1.005 177.873 176.870 -0.002 0.000 1.113 31 L CA 1.474 56.311 54.840 -0.004 0.000 0.849 31 L CB -0.376 41.679 42.059 -0.006 0.000 1.155 31 L HN 0.653 nan 8.230 nan 0.000 0.452 32 G N 5.061 113.861 108.800 -0.000 0.000 2.527 32 G HA2 -0.216 3.744 3.960 0.000 0.000 0.227 32 G HA3 -0.216 3.744 3.960 0.000 0.000 0.227 32 G C -1.983 172.919 174.900 0.003 0.000 1.291 32 G CA -0.063 45.039 45.100 0.003 0.000 0.904 32 G HN 0.586 nan 8.290 nan 0.000 0.577 33 P HA 0.222 nan 4.420 nan 0.000 0.221 33 P C 0.910 178.213 177.300 0.004 0.000 1.152 33 P CA 0.822 63.925 63.100 0.004 0.000 0.851 33 P CB 0.222 31.925 31.700 0.005 0.000 0.833 34 K N 1.117 121.522 120.400 0.007 0.000 2.596 34 K HA 0.276 4.596 4.320 0.000 0.000 0.211 34 K C 1.005 177.606 176.600 0.002 0.000 1.046 34 K CA -0.144 56.146 56.287 0.006 0.000 1.202 34 K CB -0.459 32.048 32.500 0.012 0.000 0.925 34 K HN 0.117 nan 8.250 nan 0.000 0.486 35 G N 1.351 110.151 108.800 0.000 0.000 2.483 35 G HA2 0.157 4.117 3.960 0.000 0.000 0.248 35 G HA3 0.157 4.117 3.960 0.000 0.000 0.248 35 G C 0.199 175.098 174.900 -0.002 0.000 1.248 35 G CA -0.457 44.642 45.100 -0.002 0.000 0.838 35 G HN 0.071 nan 8.290 nan 0.000 0.566 36 R N 0.743 121.241 120.500 -0.003 0.000 2.541 36 R HA 0.295 4.635 4.340 0.000 0.000 0.254 36 R C -0.307 175.992 176.300 -0.003 0.000 1.130 36 R CA -0.951 55.148 56.100 -0.003 0.000 1.152 36 R CB 0.051 30.349 30.300 -0.003 0.000 1.222 36 R HN 0.575 nan 8.270 nan 0.000 0.579 37 N N -1.031 117.667 118.700 -0.002 0.000 2.443 37 N HA 0.378 5.118 4.740 0.000 0.000 0.295 37 N C -1.128 174.380 175.510 -0.003 0.000 1.076 37 N CA -0.517 52.532 53.050 -0.002 0.000 0.919 37 N CB 1.789 40.275 38.487 -0.002 0.000 1.176 37 N HN 0.088 nan 8.380 nan 0.000 0.487 38 V N 2.030 121.941 119.914 -0.004 0.000 2.448 38 V HA 0.378 4.498 4.120 0.000 0.000 0.295 38 V C -0.486 175.605 176.094 -0.004 0.000 1.025 38 V CA -0.824 61.474 62.300 -0.004 0.000 0.859 38 V CB 1.732 33.552 31.823 -0.005 0.000 0.988 38 V HN 0.379 nan 8.190 nan 0.000 0.431 39 V N 6.333 126.244 119.914 -0.005 0.000 2.383 39 V HA 0.429 4.549 4.120 0.000 0.000 0.275 39 V C -0.066 176.024 176.094 -0.007 0.000 1.036 39 V CA -0.473 61.824 62.300 -0.005 0.000 0.889 39 V CB 1.223 33.044 31.823 -0.004 0.000 0.985 39 V HN 0.624 nan 8.190 nan 0.000 0.459 40 L N 3.609 124.828 121.223 -0.007 0.000 2.321 40 L HA 0.397 4.737 4.340 0.000 0.000 0.272 40 L C 0.174 177.036 176.870 -0.013 0.000 1.050 40 L CA -0.486 54.348 54.840 -0.010 0.000 0.893 40 L CB 0.801 42.854 42.059 -0.010 0.000 1.272 40 L HN 0.627 nan 8.230 nan 0.000 0.435 41 D N 3.185 123.576 120.400 -0.015 0.000 2.571 41 D HA -0.037 4.603 4.640 0.000 0.000 0.231 41 D C -0.008 176.275 176.300 -0.028 0.000 1.133 41 D CA 1.080 55.068 54.000 -0.020 0.000 0.862 41 D CB 0.871 41.657 40.800 -0.023 0.000 1.179 41 D HN 0.336 nan 8.370 nan 0.000 0.474 42 K N 1.049 121.432 120.400 -0.027 0.000 2.238 42 K HA 0.361 4.681 4.320 0.000 0.000 0.239 42 K C 1.046 177.604 176.600 -0.070 0.000 0.987 42 K CA -0.593 55.671 56.287 -0.039 0.000 0.857 42 K CB 1.220 33.714 32.500 -0.011 0.000 1.154 42 K HN 0.546 nan 8.250 nan 0.000 0.439 43 S N 0.888 116.505 115.700 -0.138 0.000 2.309 43 S HA 0.046 4.516 4.470 0.000 0.000 0.206 43 S C 0.463 174.948 174.600 -0.192 0.000 1.028 43 S CA 0.470 58.502 58.200 -0.281 0.000 0.972 43 S CB -0.337 62.529 63.200 -0.556 0.000 0.961 43 S HN 0.367 nan 8.310 nan 0.000 0.449 44 F N 3.156 123.105 119.950 -0.002 0.000 2.404 44 F HA 0.707 5.234 4.527 0.000 0.000 0.358 44 F C 1.235 177.034 175.800 -0.002 0.000 1.120 44 F CA 0.041 58.040 58.000 -0.002 0.000 1.144 44 F CB 0.578 39.576 39.000 -0.003 0.000 1.133 44 F HN 0.816 nan 8.300 nan 0.000 0.495 45 G N 1.320 110.232 108.800 0.186 0.000 2.352 45 G HA2 0.382 4.342 3.960 0.000 0.000 0.324 45 G HA3 0.382 4.342 3.960 0.000 0.000 0.324 45 G C -1.467 173.470 174.900 0.063 0.000 1.249 45 G CA -0.609 44.552 45.100 0.102 0.000 1.053 45 G HN 0.896 nan 8.290 nan 0.000 0.492 46 A N 0.531 123.377 122.820 0.042 0.000 2.310 46 A HA 0.858 5.178 4.320 0.000 0.000 0.299 46 A C -1.531 176.065 177.584 0.019 0.000 1.147 46 A CA -0.715 51.339 52.037 0.027 0.000 0.818 46 A CB 0.069 19.081 19.000 0.021 0.000 1.096 46 A HN 0.678 nan 8.150 nan 0.000 0.495 47 P HA 0.133 nan 4.420 nan 0.000 0.270 47 P C -0.263 177.040 177.300 0.005 0.000 1.216 47 P CA 0.380 63.482 63.100 0.005 0.000 0.788 47 P CB 0.325 32.027 31.700 0.002 0.000 0.883 48 T N 1.742 116.297 114.554 0.001 0.000 2.779 48 T HA 0.537 4.887 4.350 0.000 0.000 0.280 48 T C 0.067 174.767 174.700 0.000 0.000 0.987 48 T CA -0.336 61.765 62.100 0.002 0.000 0.966 48 T CB 0.182 69.051 68.868 0.001 0.000 0.933 48 T HN 0.155 nan 8.240 nan 0.000 0.442 49 I N 2.806 123.377 120.570 0.001 0.000 2.339 49 I HA 0.567 4.737 4.170 0.000 0.000 0.290 49 I C 0.428 176.544 176.117 -0.000 0.000 0.994 49 I CA -0.473 60.827 61.300 0.000 0.000 1.191 49 I CB 1.651 39.652 38.000 0.001 0.000 1.343 49 I HN 0.511 nan 8.210 nan 0.000 0.458 50 T N 4.260 118.813 114.554 -0.002 0.000 2.762 50 T HA 0.415 4.765 4.350 0.000 0.000 0.301 50 T C -0.227 174.471 174.700 -0.003 0.000 1.299 50 T CA -0.556 61.543 62.100 -0.002 0.000 1.005 50 T CB 1.844 70.710 68.868 -0.003 0.000 1.377 50 T HN 0.677 nan 8.240 nan 0.000 0.504 51 K N 0.705 121.103 120.400 -0.003 0.000 2.501 51 K HA 0.205 4.525 4.320 0.000 0.000 0.204 51 K C -0.832 175.765 176.600 -0.005 0.000 1.067 51 K CA -0.247 56.037 56.287 -0.004 0.000 1.060 51 K CB 0.632 33.130 32.500 -0.003 0.000 0.873 51 K HN 0.371 nan 8.250 nan 0.000 0.540 52 D N 0.954 121.351 120.400 -0.006 0.000 2.483 52 D HA 0.081 4.721 4.640 0.000 0.000 0.220 52 D C 1.317 177.612 176.300 -0.009 0.000 1.173 52 D CA -0.058 53.937 54.000 -0.008 0.000 0.964 52 D CB 0.664 41.459 40.800 -0.008 0.000 1.046 52 D HN 0.274 nan 8.370 nan 0.000 0.517 53 G N 2.104 110.899 108.800 -0.008 0.000 2.581 53 G HA2 -0.277 3.683 3.960 0.000 0.000 0.223 53 G HA3 -0.277 3.683 3.960 0.000 0.000 0.223 53 G C 1.446 176.340 174.900 -0.010 0.000 1.094 53 G CA 0.913 46.008 45.100 -0.008 0.000 0.736 53 G HN 0.473 nan 8.290 nan 0.000 0.588 54 V N 0.486 120.393 119.914 -0.012 0.000 2.283 54 V HA -0.129 3.991 4.120 0.000 0.000 0.243 54 V C 2.992 179.078 176.094 -0.013 0.000 1.039 54 V CA 2.115 64.407 62.300 -0.015 0.000 1.016 54 V CB -0.580 31.232 31.823 -0.018 0.000 0.650 54 V HN 0.367 nan 8.190 nan 0.000 0.449 55 S N -0.050 115.643 115.700 -0.012 0.000 2.382 55 S HA -0.154 4.316 4.470 0.000 0.000 0.228 55 S C 1.989 176.582 174.600 -0.010 0.000 1.027 55 S CA 1.365 59.559 58.200 -0.010 0.000 0.991 55 S CB -0.177 63.018 63.200 -0.008 0.000 0.823 55 S HN 0.356 nan 8.310 nan 0.000 0.469 56 V N 1.639 121.547 119.914 -0.010 0.000 2.515 56 V HA -0.161 3.959 4.120 0.000 0.000 0.250 56 V C 2.460 178.548 176.094 -0.010 0.000 1.058 56 V CA 1.518 63.813 62.300 -0.009 0.000 1.064 56 V CB -1.060 30.758 31.823 -0.008 0.000 0.675 56 V HN 0.524 nan 8.190 nan 0.000 0.461 57 A N -0.246 122.567 122.820 -0.011 0.000 1.832 57 A HA -0.192 4.128 4.320 0.000 0.000 0.214 57 A C 2.342 179.919 177.584 -0.013 0.000 1.200 57 A CA 1.596 53.626 52.037 -0.012 0.000 0.610 57 A CB -0.641 18.351 19.000 -0.014 0.000 0.842 57 A HN 0.382 nan 8.150 nan 0.000 0.444 58 R N -0.239 120.253 120.500 -0.014 0.000 2.196 58 R HA -0.187 4.153 4.340 0.000 0.000 0.259 58 R C 0.951 177.242 176.300 -0.015 0.000 1.154 58 R CA 1.712 57.803 56.100 -0.015 0.000 0.976 58 R CB -0.316 29.975 30.300 -0.015 0.000 0.888 58 R HN 0.510 nan 8.270 nan 0.000 0.453 59 E N 0.095 120.286 120.200 -0.014 0.000 2.416 59 E HA 0.060 4.410 4.350 0.000 0.000 0.189 59 E C 0.131 176.723 176.600 -0.014 0.000 1.091 59 E CA 0.194 56.585 56.400 -0.015 0.000 0.889 59 E CB 0.156 29.847 29.700 -0.015 0.000 1.015 59 E HN 0.229 nan 8.360 nan 0.000 0.479 60 I N 1.035 121.598 120.570 -0.013 0.000 2.437 60 I HA 0.313 4.483 4.170 0.000 0.000 0.298 60 I C 0.151 176.262 176.117 -0.010 0.000 0.984 60 I CA -0.342 60.952 61.300 -0.011 0.000 1.214 60 I CB 1.479 39.474 38.000 -0.008 0.000 1.365 60 I HN -0.020 nan 8.210 nan 0.000 0.469 61 E N 6.413 126.607 120.200 -0.009 0.000 3.397 61 E HA 0.257 4.607 4.350 0.000 0.000 0.380 61 E C -1.899 174.695 176.600 -0.009 0.000 0.989 61 E CA -0.412 55.983 56.400 -0.008 0.000 0.783 61 E CB 1.101 30.794 29.700 -0.012 0.000 1.334 61 E HN 0.440 nan 8.360 nan 0.000 0.457 62 L N 2.718 123.938 121.223 -0.005 0.000 2.488 62 L HA 0.408 4.748 4.340 0.000 0.000 0.249 62 L C 1.660 178.522 176.870 -0.014 0.000 1.151 62 L CA -0.437 54.399 54.840 -0.007 0.000 0.806 62 L CB 0.636 42.696 42.059 0.001 0.000 1.261 62 L HN 0.735 nan 8.230 nan 0.000 0.484 63 E N 0.290 120.479 120.200 -0.019 0.000 2.011 63 E HA -0.156 4.194 4.350 0.000 0.000 0.191 63 E C 0.438 177.011 176.600 -0.044 0.000 0.980 63 E CA 0.134 56.516 56.400 -0.031 0.000 0.814 63 E CB 0.137 29.819 29.700 -0.030 0.000 0.775 63 E HN 0.688 nan 8.360 nan 0.000 0.454 64 D N 1.327 121.702 120.400 -0.041 0.000 2.433 64 D HA -0.110 4.530 4.640 0.000 0.000 0.274 64 D C 0.655 176.912 176.300 -0.071 0.000 1.344 64 D CA 0.172 54.133 54.000 -0.065 0.000 0.989 64 D CB 0.551 41.335 40.800 -0.027 0.000 1.116 64 D HN 0.116 nan 8.370 nan 0.000 0.533 65 K N 3.402 123.712 120.400 -0.150 0.000 2.184 65 K HA -0.229 4.091 4.320 0.000 0.000 0.210 65 K C 1.697 178.306 176.600 0.015 0.000 1.048 65 K CA 1.349 57.553 56.287 -0.137 0.000 0.931 65 K CB -0.356 31.981 32.500 -0.271 0.000 0.718 65 K HN 0.464 nan 8.250 nan 0.000 0.465 66 F N 1.382 121.319 119.950 -0.021 0.000 2.074 66 F HA -0.018 4.509 4.527 0.000 0.000 0.290 66 F C 2.474 178.266 175.800 -0.014 0.000 1.118 66 F CA 0.577 58.565 58.000 -0.019 0.000 1.199 66 F CB -1.162 37.824 39.000 -0.024 0.000 1.012 66 F HN 0.086 nan 8.300 nan 0.000 0.472 67 E N 0.310 120.628 120.200 0.197 0.000 2.086 67 E HA -0.363 3.987 4.350 0.000 0.000 0.205 67 E C 1.891 178.535 176.600 0.073 0.000 1.027 67 E CA 1.924 58.383 56.400 0.099 0.000 0.830 67 E CB -0.708 29.029 29.700 0.061 0.000 0.751 67 E HN 0.414 nan 8.360 nan 0.000 0.456 68 N N 0.505 119.242 118.700 0.062 0.000 2.061 68 N HA -0.195 4.545 4.740 0.000 0.000 0.193 68 N C 1.918 177.457 175.510 0.049 0.000 1.030 68 N CA 1.603 54.678 53.050 0.040 0.000 0.856 68 N CB -0.064 38.437 38.487 0.024 0.000 1.023 68 N HN 0.092 nan 8.380 nan 0.000 0.424 69 M N -0.390 119.260 119.600 0.083 0.000 2.082 69 M HA -0.142 4.338 4.480 0.000 0.000 0.258 69 M C 2.210 178.537 176.300 0.044 0.000 1.069 69 M CA 1.920 57.266 55.300 0.076 0.000 1.102 69 M CB -0.855 31.820 32.600 0.124 0.000 1.336 69 M HN 0.422 nan 8.290 nan 0.000 0.404 70 G N -0.182 108.643 108.800 0.043 0.000 2.524 70 G HA2 -0.174 3.786 3.960 0.000 0.000 0.215 70 G HA3 -0.174 3.786 3.960 0.000 0.000 0.215 70 G C 1.522 176.432 174.900 0.016 0.000 1.239 70 G CA 1.052 46.164 45.100 0.021 0.000 0.798 70 G HN 0.569 nan 8.290 nan 0.000 0.557 71 A N -0.675 122.156 122.820 0.018 0.000 2.148 71 A HA -0.105 4.215 4.320 0.000 0.000 0.222 71 A C 2.267 179.855 177.584 0.006 0.000 1.161 71 A CA 1.972 54.016 52.037 0.011 0.000 0.662 71 A CB -0.245 18.761 19.000 0.011 0.000 0.799 71 A HN 0.388 nan 8.150 nan 0.000 0.466 72 Q N -1.440 118.366 119.800 0.010 0.000 2.402 72 Q HA 0.152 4.492 4.340 0.000 0.000 0.206 72 Q C 1.888 177.887 176.000 -0.002 0.000 0.919 72 Q CA 0.608 56.413 55.803 0.004 0.000 0.923 72 Q CB 0.018 28.762 28.738 0.009 0.000 1.048 72 Q HN 0.827 nan 8.270 nan 0.000 0.515 73 M N -0.756 118.844 119.600 0.000 0.000 2.142 73 M HA -0.085 4.395 4.480 0.000 0.000 0.256 73 M C 2.222 178.514 176.300 -0.013 0.000 1.098 73 M CA 0.975 56.272 55.300 -0.006 0.000 1.151 73 M CB -0.718 31.881 32.600 -0.000 0.000 1.299 73 M HN 0.042 nan 8.290 nan 0.000 0.431 74 V N 1.028 120.938 119.914 -0.006 0.000 2.370 74 V HA -0.328 3.792 4.120 0.000 0.000 0.252 74 V C 2.182 178.265 176.094 -0.017 0.000 1.068 74 V CA 2.479 64.775 62.300 -0.007 0.000 1.061 74 V CB -0.700 31.124 31.823 0.002 0.000 0.656 74 V HN 0.548 nan 8.190 nan 0.000 0.455 75 K N -0.690 119.700 120.400 -0.016 0.000 2.057 75 K HA -0.210 4.110 4.320 0.000 0.000 0.207 75 K C 2.329 178.907 176.600 -0.038 0.000 1.049 75 K CA 1.780 58.054 56.287 -0.022 0.000 0.931 75 K CB -0.284 32.207 32.500 -0.016 0.000 0.714 75 K HN 0.573 nan 8.250 nan 0.000 0.440 76 E N 0.439 120.615 120.200 -0.041 0.000 2.152 76 E HA -0.118 4.232 4.350 0.000 0.000 0.192 76 E C 1.877 178.417 176.600 -0.099 0.000 0.983 76 E CA 0.602 56.968 56.400 -0.057 0.000 0.818 76 E CB 0.134 29.808 29.700 -0.043 0.000 0.758 76 E HN 0.182 nan 8.360 nan 0.000 0.467 77 V N 0.555 120.407 119.914 -0.103 0.000 2.379 77 V HA -0.113 4.007 4.120 0.000 0.000 0.243 77 V C 2.307 178.255 176.094 -0.242 0.000 1.035 77 V CA 1.653 63.841 62.300 -0.186 0.000 1.035 77 V CB -0.329 31.430 31.823 -0.106 0.000 0.673 77 V HN 0.291 nan 8.190 nan 0.000 0.457 78 A N 0.562 123.315 122.820 -0.113 0.000 1.927 78 A HA -0.284 4.036 4.320 0.000 0.000 0.220 78 A C 2.530 180.053 177.584 -0.101 0.000 1.185 78 A CA 2.831 54.827 52.037 -0.068 0.000 0.639 78 A CB -1.214 17.772 19.000 -0.023 0.000 0.820 78 A HN 0.919 nan 8.150 nan 0.000 0.451 79 S N -0.181 115.455 115.700 -0.106 0.000 2.440 79 S HA -0.241 4.229 4.470 0.000 0.000 0.240 79 S C 1.701 176.224 174.600 -0.129 0.000 1.014 79 S CA 1.752 59.896 58.200 -0.093 0.000 0.980 79 S CB -0.432 62.721 63.200 -0.078 0.000 0.775 79 S HN 0.665 nan 8.310 nan 0.000 0.499 80 K N 1.153 121.397 120.400 -0.260 0.000 2.155 80 K HA 0.210 4.530 4.320 0.000 0.000 0.203 80 K C 2.597 179.117 176.600 -0.133 0.000 1.052 80 K CA 0.879 56.958 56.287 -0.346 0.000 0.948 80 K CB -0.477 31.506 32.500 -0.861 0.000 0.728 80 K HN 0.482 nan 8.250 nan 0.000 0.448 81 A N 1.887 124.688 122.820 -0.033 0.000 1.883 81 A HA -0.263 4.057 4.320 0.000 0.000 0.217 81 A C 1.928 179.570 177.584 0.098 0.000 1.186 81 A CA 2.077 54.238 52.037 0.208 0.000 0.624 81 A CB -0.786 18.333 19.000 0.198 0.000 0.822 81 A HN 0.302 nan 8.150 nan 0.000 0.444 82 N N -0.004 118.712 118.700 0.027 0.000 2.149 82 N HA -0.156 4.584 4.740 0.000 0.000 0.188 82 N C 1.229 176.739 175.510 -0.001 0.000 1.019 82 N CA 1.658 54.706 53.050 -0.004 0.000 0.857 82 N CB -0.204 38.266 38.487 -0.029 0.000 0.997 82 N HN 0.424 nan 8.380 nan 0.000 0.426 83 D N -0.502 119.902 120.400 0.006 0.000 2.178 83 D HA -0.110 4.530 4.640 0.000 0.000 0.201 83 D C 1.565 177.898 176.300 0.055 0.000 0.980 83 D CA 1.173 55.182 54.000 0.015 0.000 0.842 83 D CB -0.166 40.630 40.800 -0.007 0.000 0.948 83 D HN 0.429 nan 8.370 nan 0.000 0.472 84 A N 0.914 123.787 122.820 0.089 0.000 1.864 84 A HA 0.306 4.627 4.320 0.000 0.000 0.213 84 A C 2.134 179.777 177.584 0.098 0.000 1.266 84 A CA 1.377 53.476 52.037 0.105 0.000 0.612 84 A CB -0.781 18.308 19.000 0.148 0.000 0.940 84 A HN 0.199 nan 8.150 nan 0.000 0.463 85 A N -1.701 121.173 122.820 0.091 0.000 1.861 85 A HA 0.395 4.715 4.320 0.000 0.000 0.214 85 A C 1.832 179.470 177.584 0.090 0.000 1.322 85 A CA 2.217 54.303 52.037 0.082 0.000 0.601 85 A CB -0.897 18.140 19.000 0.062 0.000 0.966 85 A HN 1.671 nan 8.150 nan 0.000 0.471 86 G N -2.283 106.529 108.800 0.020 0.000 4.362 86 G HA2 0.323 4.283 3.960 0.000 0.000 0.220 86 G HA3 0.323 4.283 3.960 0.000 0.000 0.220 86 G C -0.373 174.480 174.900 -0.080 0.000 0.795 86 G CA 0.758 45.804 45.100 -0.090 0.000 0.920 86 G HN 0.798 nan 8.290 nan 0.000 0.715 87 D N -2.775 117.611 120.400 -0.022 0.000 2.970 87 D HA 0.514 5.154 4.640 0.000 0.000 0.344 87 D C 1.227 177.533 176.300 0.011 0.000 1.365 87 D CA 1.124 55.115 54.000 -0.014 0.000 0.910 87 D CB 0.236 41.031 40.800 -0.009 0.000 1.445 87 D HN 1.205 nan 8.370 nan 0.000 0.532 88 G N -1.041 107.767 108.800 0.013 0.000 2.308 88 G HA2 -0.336 3.624 3.960 0.000 0.000 0.221 88 G HA3 -0.336 3.624 3.960 0.000 0.000 0.221 88 G C 1.381 176.298 174.900 0.027 0.000 1.032 88 G CA 1.241 46.357 45.100 0.026 0.000 0.623 88 G HN 1.267 nan 8.290 nan 0.000 0.506 89 T N -0.783 113.782 114.554 0.019 0.000 2.680 89 T HA -0.223 4.127 4.350 0.000 0.000 0.268 89 T C 2.225 176.929 174.700 0.007 0.000 1.033 89 T CA 3.124 65.229 62.100 0.010 0.000 1.152 89 T CB -1.150 67.713 68.868 -0.008 0.000 0.859 89 T HN 0.660 nan 8.240 nan 0.000 0.452 90 T N 1.444 116.000 114.554 0.004 0.000 2.867 90 T HA -0.058 4.292 4.350 0.000 0.000 0.268 90 T C 2.223 176.927 174.700 0.007 0.000 1.057 90 T CA 1.748 63.849 62.100 0.002 0.000 1.136 90 T CB -0.780 68.088 68.868 -0.001 0.000 0.874 90 T HN 0.642 nan 8.240 nan 0.000 0.466 91 T N 2.086 116.647 114.554 0.012 0.000 2.732 91 T HA 0.109 4.459 4.350 0.000 0.000 0.261 91 T C 2.511 177.224 174.700 0.022 0.000 1.040 91 T CA 0.898 63.007 62.100 0.015 0.000 1.145 91 T CB -0.708 68.171 68.868 0.018 0.000 0.866 91 T HN 0.399 nan 8.240 nan 0.000 0.427 92 A N 2.040 124.881 122.820 0.034 0.000 1.869 92 A HA -0.241 4.079 4.320 0.000 0.000 0.218 92 A C 2.561 180.164 177.584 0.032 0.000 1.203 92 A CA 2.618 54.684 52.037 0.048 0.000 0.638 92 A CB -1.693 17.348 19.000 0.068 0.000 0.831 92 A HN 0.482 nan 8.150 nan 0.000 0.450 93 T N -0.785 113.781 114.554 0.020 0.000 2.653 93 T HA -0.198 4.152 4.350 0.000 0.000 0.268 93 T C 1.827 176.533 174.700 0.010 0.000 1.035 93 T CA 1.853 63.959 62.100 0.011 0.000 1.154 93 T CB -0.723 68.147 68.868 0.004 0.000 0.862 93 T HN 0.423 nan 8.240 nan 0.000 0.441 94 V N 0.526 120.445 119.914 0.009 0.000 2.809 94 V HA 0.018 4.138 4.120 0.000 0.000 0.256 94 V C 2.043 178.142 176.094 0.007 0.000 1.080 94 V CA 1.244 63.547 62.300 0.006 0.000 1.102 94 V CB -0.492 31.332 31.823 0.002 0.000 0.705 94 V HN 0.479 nan 8.190 nan 0.000 0.475 95 L N 0.016 121.247 121.223 0.013 0.000 2.023 95 L HA 0.040 4.380 4.340 0.000 0.000 0.205 95 L C 2.876 179.755 176.870 0.015 0.000 1.073 95 L CA 1.498 56.347 54.840 0.014 0.000 0.745 95 L CB -0.930 41.142 42.059 0.021 0.000 0.900 95 L HN 0.394 nan 8.230 nan 0.000 0.435 96 A N -0.443 122.389 122.820 0.020 0.000 1.869 96 A HA -0.359 3.961 4.320 0.000 0.000 0.218 96 A C 2.216 179.807 177.584 0.013 0.000 1.203 96 A CA 2.286 54.335 52.037 0.020 0.000 0.638 96 A CB -0.961 18.052 19.000 0.022 0.000 0.831 96 A HN 0.515 nan 8.150 nan 0.000 0.450 97 Q N -0.728 119.078 119.800 0.010 0.000 2.082 97 Q HA -0.305 4.035 4.340 0.000 0.000 0.211 97 Q C 2.291 178.294 176.000 0.005 0.000 1.002 97 Q CA 2.507 58.314 55.803 0.006 0.000 0.868 97 Q CB -0.438 28.302 28.738 0.004 0.000 0.931 97 Q HN 0.651 nan 8.270 nan 0.000 0.414 98 A N 0.542 123.365 122.820 0.005 0.000 1.908 98 A HA -0.206 4.114 4.320 0.000 0.000 0.218 98 A C 2.002 179.589 177.584 0.004 0.000 1.181 98 A CA 1.777 53.816 52.037 0.003 0.000 0.627 98 A CB -0.727 18.274 19.000 0.003 0.000 0.818 98 A HN 0.494 nan 8.150 nan 0.000 0.445 99 I N -0.357 120.217 120.570 0.007 0.000 2.133 99 I HA -0.230 3.941 4.170 0.000 0.000 0.238 99 I C 2.327 178.447 176.117 0.006 0.000 1.074 99 I CA 1.374 62.678 61.300 0.007 0.000 1.342 99 I CB -0.527 37.479 38.000 0.010 0.000 1.053 99 I HN 0.268 nan 8.210 nan 0.000 0.404 100 I N 0.868 121.442 120.570 0.007 0.000 2.194 100 I HA -0.308 3.862 4.170 0.000 0.000 0.246 100 I C 2.586 178.705 176.117 0.003 0.000 1.093 100 I CA 1.834 63.137 61.300 0.005 0.000 1.355 100 I CB -0.947 37.057 38.000 0.006 0.000 1.046 100 I HN 0.314 nan 8.210 nan 0.000 0.413 101 T N -0.097 114.459 114.554 0.003 0.000 2.788 101 T HA -0.149 4.201 4.350 0.000 0.000 0.268 101 T C 1.781 176.482 174.700 0.002 0.000 1.044 101 T CA 1.213 63.315 62.100 0.003 0.000 1.139 101 T CB -0.134 68.735 68.868 0.002 0.000 0.867 101 T HN 0.304 nan 8.240 nan 0.000 0.454 102 E N 0.301 120.502 120.200 0.002 0.000 2.276 102 E HA 0.147 4.497 4.350 0.000 0.000 0.193 102 E C 2.411 179.012 176.600 0.002 0.000 0.983 102 E CA 0.419 56.820 56.400 0.002 0.000 0.861 102 E CB -0.422 29.279 29.700 0.001 0.000 0.817 102 E HN 0.528 nan 8.360 nan 0.000 0.485 103 G N 1.736 110.537 108.800 0.002 0.000 2.464 103 G HA2 -0.210 3.750 3.960 0.000 0.000 0.214 103 G HA3 -0.210 3.750 3.960 0.000 0.000 0.214 103 G C 1.635 176.535 174.900 0.001 0.000 1.218 103 G CA 0.460 45.561 45.100 0.002 0.000 0.794 103 G HN 0.183 nan 8.290 nan 0.000 0.542 104 L N 0.305 121.528 121.223 0.001 0.000 2.263 104 L HA -0.079 4.261 4.340 0.000 0.000 0.216 104 L C 2.735 179.605 176.870 0.001 0.000 1.111 104 L CA 1.282 56.122 54.840 0.000 0.000 0.773 104 L CB -0.353 41.706 42.059 -0.000 0.000 0.906 104 L HN 0.244 nan 8.230 nan 0.000 0.439 105 K N 0.141 120.541 120.400 0.001 0.000 2.288 105 K HA -0.075 4.245 4.320 0.000 0.000 0.201 105 K C 2.039 178.640 176.600 0.001 0.000 1.048 105 K CA 0.894 57.182 56.287 0.001 0.000 0.956 105 K CB 0.126 32.627 32.500 0.001 0.000 0.746 105 K HN 0.303 nan 8.250 nan 0.000 0.461 106 A N 0.099 122.919 122.820 0.001 0.000 1.862 106 A HA -0.005 4.315 4.320 0.000 0.000 0.211 106 A C 2.072 179.656 177.584 -0.000 0.000 1.220 106 A CA 0.640 52.677 52.037 0.000 0.000 0.616 106 A CB -0.592 18.408 19.000 0.000 0.000 0.878 106 A HN 0.057 nan 8.150 nan 0.000 0.453 107 V N 0.563 120.477 119.914 -0.000 0.000 2.233 107 V HA -0.365 3.755 4.120 0.000 0.000 0.252 107 V C 2.956 179.049 176.094 -0.001 0.000 1.063 107 V CA 2.384 64.683 62.300 -0.001 0.000 1.032 107 V CB -1.299 30.524 31.823 -0.002 0.000 0.645 107 V HN 0.605 nan 8.190 nan 0.000 0.446 108 A N -0.692 122.128 122.820 0.001 0.000 2.225 108 A HA 0.112 4.432 4.320 0.000 0.000 0.215 108 A C 2.125 179.710 177.584 0.002 0.000 1.164 108 A CA 1.556 53.594 52.037 0.002 0.000 0.710 108 A CB -0.524 18.478 19.000 0.003 0.000 0.780 108 A HN 0.657 nan 8.150 nan 0.000 0.473 109 A N -2.124 120.697 122.820 0.001 0.000 2.195 109 A HA 0.447 4.767 4.320 0.000 0.000 0.210 109 A C 1.612 179.196 177.584 0.000 0.000 1.165 109 A CA 1.193 53.230 52.037 0.001 0.000 0.806 109 A CB -0.320 18.680 19.000 0.001 0.000 0.847 109 A HN 1.662 nan 8.150 nan 0.000 0.482 110 G N -1.978 106.822 108.800 -0.001 0.000 2.227 110 G HA2 -0.133 3.827 3.960 0.000 0.000 0.168 110 G HA3 -0.133 3.827 3.960 0.000 0.000 0.168 110 G C 0.084 174.982 174.900 -0.002 0.000 1.006 110 G CA 0.014 45.114 45.100 -0.001 0.000 0.684 110 G HN 0.277 nan 8.290 nan 0.000 0.489 111 M N 0.827 120.426 119.600 -0.002 0.000 2.359 111 M HA 0.368 4.848 4.480 0.000 0.000 0.322 111 M C 0.543 176.841 176.300 -0.004 0.000 1.166 111 M CA -0.774 54.525 55.300 -0.003 0.000 1.067 111 M CB 0.778 33.377 32.600 -0.002 0.000 1.523 111 M HN 0.152 nan 8.290 nan 0.000 0.467 112 N N 1.647 120.344 118.700 -0.004 0.000 2.497 112 N HA 0.131 4.871 4.740 0.000 0.000 0.268 112 N C -2.296 173.211 175.510 -0.005 0.000 1.171 112 N CA -1.287 51.760 53.050 -0.005 0.000 0.948 112 N CB 1.351 39.835 38.487 -0.006 0.000 1.069 112 N HN 0.246 nan 8.380 nan 0.000 0.460 113 P HA -0.022 nan 4.420 nan 0.000 0.214 113 P C 1.746 179.044 177.300 -0.004 0.000 1.162 113 P CA 1.107 64.204 63.100 -0.004 0.000 0.874 113 P CB 0.181 31.877 31.700 -0.006 0.000 0.784 114 M N -0.455 119.142 119.600 -0.005 0.000 2.260 114 M HA -0.167 4.313 4.480 0.000 0.000 0.261 114 M C 1.132 177.430 176.300 -0.003 0.000 1.066 114 M CA 1.669 56.966 55.300 -0.004 0.000 1.082 114 M CB -1.479 31.117 32.600 -0.006 0.000 1.388 114 M HN 0.008 nan 8.290 nan 0.000 0.419 115 D N -0.151 120.247 120.400 -0.003 0.000 2.144 115 D HA 0.029 4.669 4.640 0.000 0.000 0.207 115 D C 2.225 178.524 176.300 -0.002 0.000 0.970 115 D CA 0.708 54.706 54.000 -0.003 0.000 0.853 115 D CB -0.218 40.580 40.800 -0.003 0.000 1.007 115 D HN 0.300 nan 8.370 nan 0.000 0.469 116 L N 1.048 122.270 121.223 -0.001 0.000 2.137 116 L HA -0.222 4.118 4.340 0.000 0.000 0.213 116 L C 2.455 179.326 176.870 0.001 0.000 1.085 116 L CA 1.216 56.056 54.840 -0.000 0.000 0.760 116 L CB -0.367 41.692 42.059 -0.000 0.000 0.893 116 L HN 0.043 nan 8.230 nan 0.000 0.434 117 K N 0.318 120.719 120.400 0.001 0.000 2.103 117 K HA -0.195 4.125 4.320 0.000 0.000 0.204 117 K C 2.309 178.910 176.600 0.002 0.000 1.052 117 K CA 1.059 57.347 56.287 0.002 0.000 0.945 117 K CB 0.070 32.571 32.500 0.002 0.000 0.722 117 K HN 0.120 nan 8.250 nan 0.000 0.443 118 R N -0.137 120.363 120.500 0.000 0.000 2.057 118 R HA -0.054 4.286 4.340 0.000 0.000 0.229 118 R C 2.372 178.672 176.300 -0.001 0.000 1.136 118 R CA 1.627 57.727 56.100 -0.000 0.000 0.952 118 R CB -0.688 29.611 30.300 -0.001 0.000 0.848 118 R HN 0.383 nan 8.270 nan 0.000 0.430 119 G N 1.162 109.961 108.800 -0.001 0.000 2.556 119 G HA2 -0.310 3.650 3.960 0.000 0.000 0.220 119 G HA3 -0.310 3.650 3.960 0.000 0.000 0.220 119 G C 1.441 176.341 174.900 -0.000 0.000 1.156 119 G CA 1.302 46.402 45.100 -0.000 0.000 0.766 119 G HN 0.301 nan 8.290 nan 0.000 0.583 120 I N 0.627 121.198 120.570 0.001 0.000 2.179 120 I HA -0.125 4.045 4.170 0.000 0.000 0.242 120 I C 2.240 178.357 176.117 -0.000 0.000 1.088 120 I CA 1.317 62.618 61.300 0.001 0.000 1.357 120 I CB -0.176 37.826 38.000 0.003 0.000 1.051 120 I HN 0.085 nan 8.210 nan 0.000 0.409 121 D N 0.509 120.909 120.400 -0.000 0.000 2.264 121 D HA -0.177 4.463 4.640 0.000 0.000 0.208 121 D C 2.008 178.305 176.300 -0.005 0.000 0.966 121 D CA 0.971 54.969 54.000 -0.002 0.000 0.864 121 D CB 0.004 40.803 40.800 -0.001 0.000 0.933 121 D HN 0.337 nan 8.370 nan 0.000 0.499 122 K N 0.857 121.255 120.400 -0.003 0.000 2.005 122 K HA -0.025 4.295 4.320 0.000 0.000 0.206 122 K C 2.128 178.725 176.600 -0.004 0.000 1.044 122 K CA 0.958 57.243 56.287 -0.004 0.000 0.942 122 K CB -0.036 32.463 32.500 -0.003 0.000 0.727 122 K HN -0.071 nan 8.250 nan 0.000 0.439 123 A N 0.838 123.657 122.820 -0.003 0.000 2.009 123 A HA -0.180 4.140 4.320 0.000 0.000 0.222 123 A C 2.194 179.776 177.584 -0.004 0.000 1.175 123 A CA 1.977 54.013 52.037 -0.002 0.000 0.651 123 A CB -0.740 18.259 19.000 -0.001 0.000 0.815 123 A HN 0.223 nan 8.150 nan 0.000 0.459 124 V N -0.850 119.061 119.914 -0.006 0.000 2.256 124 V HA -0.177 3.943 4.120 0.000 0.000 0.240 124 V C 2.657 178.744 176.094 -0.013 0.000 1.036 124 V CA 2.310 64.604 62.300 -0.010 0.000 1.008 124 V CB -1.253 30.562 31.823 -0.012 0.000 0.648 124 V HN 0.601 nan 8.190 nan 0.000 0.453 125 T N 0.683 115.229 114.554 -0.014 0.000 2.792 125 T HA -0.270 4.080 4.350 0.000 0.000 0.268 125 T C 1.823 176.516 174.700 -0.012 0.000 1.059 125 T CA 1.721 63.812 62.100 -0.015 0.000 1.136 125 T CB -0.417 68.444 68.868 -0.012 0.000 0.846 125 T HN 0.570 nan 8.240 nan 0.000 0.489 126 A N 1.354 124.169 122.820 -0.008 0.000 1.843 126 A HA 0.439 4.759 4.320 0.000 0.000 0.213 126 A C 2.697 180.278 177.584 -0.005 0.000 1.202 126 A CA 1.253 53.287 52.037 -0.005 0.000 0.607 126 A CB -1.214 17.784 19.000 -0.003 0.000 0.847 126 A HN 0.485 nan 8.150 nan 0.000 0.445 127 A N -0.349 122.468 122.820 -0.005 0.000 2.024 127 A HA -0.008 4.312 4.320 0.000 0.000 0.220 127 A C 2.092 179.672 177.584 -0.007 0.000 1.164 127 A CA 1.777 53.812 52.037 -0.004 0.000 0.643 127 A CB -0.860 18.139 19.000 -0.003 0.000 0.806 127 A HN 0.420 nan 8.150 nan 0.000 0.451 128 V N -0.331 119.576 119.914 -0.012 0.000 2.515 128 V HA -0.238 3.882 4.120 0.000 0.000 0.250 128 V C 2.284 178.370 176.094 -0.012 0.000 1.058 128 V CA 2.240 64.529 62.300 -0.017 0.000 1.064 128 V CB -0.698 31.110 31.823 -0.026 0.000 0.675 128 V HN 0.656 nan 8.190 nan 0.000 0.461 129 E N -0.208 119.987 120.200 -0.009 0.000 2.075 129 E HA -0.148 4.202 4.350 0.000 0.000 0.190 129 E C 2.179 178.778 176.600 -0.002 0.000 0.969 129 E CA 0.616 57.013 56.400 -0.006 0.000 0.815 129 E CB -0.113 29.584 29.700 -0.005 0.000 0.776 129 E HN 0.429 nan 8.360 nan 0.000 0.457 130 E N 0.938 121.138 120.200 -0.000 0.000 2.284 130 E HA -0.205 4.145 4.350 0.000 0.000 0.200 130 E C 1.696 178.299 176.600 0.005 0.000 1.008 130 E CA 0.576 56.978 56.400 0.003 0.000 0.829 130 E CB -0.040 29.663 29.700 0.004 0.000 0.744 130 E HN 0.124 nan 8.360 nan 0.000 0.491 131 L N 0.205 121.429 121.223 0.002 0.000 2.162 131 L HA 0.026 4.366 4.340 0.000 0.000 0.205 131 L C 1.677 178.549 176.870 0.003 0.000 1.086 131 L CA 1.310 56.153 54.840 0.003 0.000 0.778 131 L CB -0.023 42.036 42.059 -0.001 0.000 0.928 131 L HN -0.083 nan 8.230 nan 0.000 0.446 132 K N -0.355 120.045 120.400 0.000 0.000 2.574 132 K HA -0.042 4.278 4.320 0.000 0.000 0.193 132 K C 1.769 178.371 176.600 0.004 0.000 1.035 132 K CA 0.581 56.868 56.287 0.001 0.000 0.982 132 K CB -0.083 32.416 32.500 -0.002 0.000 0.795 132 K HN 0.449 nan 8.250 nan 0.000 0.491 133 A N 1.392 124.215 122.820 0.006 0.000 1.835 133 A HA -0.069 4.251 4.320 0.000 0.000 0.213 133 A C 1.978 179.569 177.584 0.010 0.000 1.210 133 A CA 0.711 52.753 52.037 0.007 0.000 0.605 133 A CB -0.456 18.549 19.000 0.008 0.000 0.860 133 A HN 0.113 nan 8.150 nan 0.000 0.447 134 L N 0.462 121.693 121.223 0.013 0.000 2.127 134 L HA -0.110 4.230 4.340 0.000 0.000 0.211 134 L C 1.526 178.405 176.870 0.015 0.000 1.089 134 L CA 1.138 55.988 54.840 0.017 0.000 0.757 134 L CB -1.225 40.846 42.059 0.020 0.000 0.899 134 L HN 0.423 nan 8.230 nan 0.000 0.434 135 S N 0.556 116.263 115.700 0.012 0.000 3.225 135 S HA -0.013 4.457 4.470 0.000 0.000 0.378 135 S C -0.075 174.531 174.600 0.011 0.000 1.190 135 S CA -0.290 57.917 58.200 0.010 0.000 1.104 135 S CB -0.160 63.044 63.200 0.007 0.000 0.795 135 S HN 0.072 nan 8.310 nan 0.000 0.517 136 V N 9.788 129.709 119.914 0.012 0.000 2.333 136 V HA 0.301 4.421 4.120 0.000 0.000 0.274 136 V C -1.643 174.457 176.094 0.010 0.000 1.028 136 V CA -1.748 60.559 62.300 0.012 0.000 0.851 136 V CB 0.750 32.581 31.823 0.014 0.000 1.000 136 V HN 0.757 nan 8.190 nan 0.000 0.456 137 P HA -0.111 nan 4.420 nan 0.000 0.275 137 P C -0.163 177.141 177.300 0.007 0.000 1.227 137 P CA 0.167 63.271 63.100 0.007 0.000 0.808 137 P CB 0.300 32.003 31.700 0.006 0.000 0.858 138 C N 1.135 120.438 119.300 0.006 0.000 3.079 138 C HA 0.299 4.759 4.460 0.000 0.000 0.246 138 C C 1.188 176.180 174.990 0.004 0.000 1.025 138 C CA 0.020 59.041 59.018 0.005 0.000 1.081 138 C CB -1.353 26.391 27.740 0.007 0.000 1.757 138 C HN 0.555 nan 8.230 nan 0.000 0.646 139 S N 0.620 116.322 115.700 0.003 0.000 2.527 139 S HA 0.085 4.555 4.470 0.000 0.000 0.227 139 S C 0.361 174.962 174.600 0.001 0.000 1.059 139 S CA 0.173 58.374 58.200 0.002 0.000 0.919 139 S CB 0.048 63.249 63.200 0.001 0.000 0.805 139 S HN 0.921 nan 8.310 nan 0.000 0.500 140 D N 2.275 122.676 120.400 0.002 0.000 2.348 140 D HA 0.088 4.728 4.640 0.000 0.000 0.253 140 D C 0.686 176.987 176.300 0.001 0.000 1.161 140 D CA -0.015 53.985 54.000 0.001 0.000 0.876 140 D CB 1.133 41.934 40.800 0.002 0.000 1.160 140 D HN 0.155 nan 8.370 nan 0.000 0.459 141 S N 1.635 117.335 115.700 0.000 0.000 2.559 141 S HA -0.243 4.227 4.470 0.000 0.000 0.250 141 S C 1.337 175.938 174.600 0.001 0.000 0.977 141 S CA 0.704 58.904 58.200 -0.000 0.000 0.958 141 S CB -0.304 62.895 63.200 -0.001 0.000 0.751 141 S HN 0.657 nan 8.310 nan 0.000 0.534 142 K N 1.322 121.723 120.400 0.002 0.000 2.141 142 K HA 0.259 4.579 4.320 0.000 0.000 0.202 142 K C 2.230 178.832 176.600 0.003 0.000 1.045 142 K CA 0.740 57.028 56.287 0.002 0.000 0.971 142 K CB -0.433 32.069 32.500 0.002 0.000 0.795 142 K HN 0.354 nan 8.250 nan 0.000 0.459 143 A N 1.312 124.134 122.820 0.004 0.000 2.014 143 A HA -0.000 4.320 4.320 0.000 0.000 0.218 143 A C 1.968 179.555 177.584 0.005 0.000 1.163 143 A CA 0.731 52.771 52.037 0.005 0.000 0.652 143 A CB -0.424 18.580 19.000 0.006 0.000 0.808 143 A HN 0.323 nan 8.150 nan 0.000 0.449 144 I N -0.360 120.212 120.570 0.004 0.000 2.286 144 I HA -0.277 3.893 4.170 0.000 0.000 0.248 144 I C 2.954 179.073 176.117 0.004 0.000 1.115 144 I CA 0.955 62.257 61.300 0.004 0.000 1.392 144 I CB -0.265 37.735 38.000 0.001 0.000 1.065 144 I HN 0.385 nan 8.210 nan 0.000 0.418 145 A N 0.381 123.203 122.820 0.003 0.000 1.858 145 A HA -0.277 4.043 4.320 0.000 0.000 0.216 145 A C 2.205 179.792 177.584 0.005 0.000 1.190 145 A CA 1.625 53.664 52.037 0.004 0.000 0.617 145 A CB -0.723 18.278 19.000 0.003 0.000 0.827 145 A HN 0.463 nan 8.150 nan 0.000 0.443 146 Q N -0.514 119.289 119.800 0.006 0.000 2.152 146 Q HA -0.147 4.193 4.340 0.000 0.000 0.206 146 Q C 2.119 178.124 176.000 0.008 0.000 0.985 146 Q CA 1.663 57.470 55.803 0.007 0.000 0.863 146 Q CB -0.471 28.272 28.738 0.007 0.000 0.904 146 Q HN 0.515 nan 8.270 nan 0.000 0.422 147 V N 0.320 120.239 119.914 0.009 0.000 2.229 147 V HA -0.182 3.938 4.120 0.000 0.000 0.243 147 V C 2.294 178.395 176.094 0.012 0.000 1.042 147 V CA 2.058 64.365 62.300 0.011 0.000 1.000 147 V CB -1.274 30.556 31.823 0.012 0.000 0.637 147 V HN 0.548 nan 8.190 nan 0.000 0.446 148 G N -0.674 108.133 108.800 0.011 0.000 2.507 148 G HA2 -0.300 3.660 3.960 0.000 0.000 0.221 148 G HA3 -0.300 3.660 3.960 0.000 0.000 0.221 148 G C 1.647 176.554 174.900 0.011 0.000 1.119 148 G CA 1.784 46.891 45.100 0.013 0.000 0.751 148 G HN 0.484 nan 8.290 nan 0.000 0.574 149 T N 0.962 115.521 114.554 0.009 0.000 2.867 149 T HA 0.016 4.366 4.350 0.000 0.000 0.268 149 T C 2.301 177.006 174.700 0.008 0.000 1.057 149 T CA 0.847 62.952 62.100 0.007 0.000 1.136 149 T CB -0.089 68.782 68.868 0.006 0.000 0.874 149 T HN 0.326 nan 8.240 nan 0.000 0.466 150 I N 0.651 121.226 120.570 0.009 0.000 2.876 150 I HA 0.001 4.171 4.170 0.000 0.000 0.264 150 I C 2.147 178.270 176.117 0.010 0.000 1.204 150 I CA 0.536 61.841 61.300 0.008 0.000 1.485 150 I CB -0.086 37.919 38.000 0.009 0.000 1.103 150 I HN 0.107 nan 8.210 nan 0.000 0.446 151 S N 0.852 116.560 115.700 0.013 0.000 2.527 151 S HA 0.137 4.607 4.470 0.000 0.000 0.222 151 S C 1.663 176.272 174.600 0.015 0.000 0.985 151 S CA 0.748 58.957 58.200 0.016 0.000 0.921 151 S CB 0.118 63.332 63.200 0.024 0.000 0.772 151 S HN 0.480 nan 8.310 nan 0.000 0.529 152 A N 1.351 124.178 122.820 0.012 0.000 2.500 152 A HA 0.444 4.764 4.320 0.000 0.000 0.267 152 A C 0.561 178.149 177.584 0.007 0.000 1.290 152 A CA -0.388 51.655 52.037 0.011 0.000 0.928 152 A CB -0.428 18.578 19.000 0.010 0.000 1.066 152 A HN 0.365 nan 8.150 nan 0.000 0.516 153 N N -0.190 118.514 118.700 0.006 0.000 2.746 153 N HA -0.212 4.528 4.740 0.000 0.000 0.250 153 N C 0.219 175.731 175.510 0.003 0.000 1.055 153 N CA 1.049 54.102 53.050 0.004 0.000 0.699 153 N CB -1.840 36.648 38.487 0.003 0.000 0.919 153 N HN 0.520 nan 8.380 nan 0.000 0.548 154 S N -1.576 114.126 115.700 0.003 0.000 3.490 154 S HA -0.233 4.237 4.470 0.000 0.000 0.301 154 S C -0.356 174.246 174.600 0.003 0.000 1.233 154 S CA 0.834 59.035 58.200 0.002 0.000 0.914 154 S CB -1.033 62.167 63.200 0.001 0.000 1.047 154 S HN 0.769 nan 8.310 nan 0.000 0.602 155 D N 1.368 121.770 120.400 0.004 0.000 2.441 155 D HA 0.219 4.859 4.640 0.000 0.000 0.221 155 D C 1.129 177.431 176.300 0.004 0.000 1.156 155 D CA -0.257 53.745 54.000 0.003 0.000 0.896 155 D CB 0.506 41.309 40.800 0.004 0.000 1.028 155 D HN 0.475 nan 8.370 nan 0.000 0.509 156 E N 1.359 121.560 120.200 0.003 0.000 2.130 156 E HA -0.177 4.173 4.350 0.000 0.000 0.196 156 E C 1.522 178.124 176.600 0.003 0.000 0.998 156 E CA 1.270 57.672 56.400 0.003 0.000 0.806 156 E CB 0.150 29.852 29.700 0.002 0.000 0.738 156 E HN 0.499 nan 8.360 nan 0.000 0.459 157 T N 1.014 115.569 114.554 0.002 0.000 2.699 157 T HA -0.176 4.174 4.350 0.000 0.000 0.268 157 T C 2.098 176.799 174.700 0.003 0.000 1.036 157 T CA 1.419 63.521 62.100 0.002 0.000 1.147 157 T CB -0.302 68.568 68.868 0.002 0.000 0.862 157 T HN 0.001 nan 8.240 nan 0.000 0.446 158 V N 1.479 121.395 119.914 0.004 0.000 2.216 158 V HA -0.089 4.031 4.120 0.000 0.000 0.243 158 V C 2.933 179.029 176.094 0.004 0.000 1.044 158 V CA 1.990 64.293 62.300 0.005 0.000 0.995 158 V CB -1.627 30.201 31.823 0.007 0.000 0.633 158 V HN 0.571 nan 8.190 nan 0.000 0.446 159 G N 0.039 108.842 108.800 0.005 0.000 2.663 159 G HA2 -0.448 3.512 3.960 0.000 0.000 0.222 159 G HA3 -0.448 3.512 3.960 0.000 0.000 0.222 159 G C 1.634 176.536 174.900 0.002 0.000 1.146 159 G CA 1.800 46.902 45.100 0.004 0.000 0.764 159 G HN 0.541 nan 8.290 nan 0.000 0.608 160 K N 0.063 120.464 120.400 0.002 0.000 2.002 160 K HA 0.027 4.347 4.320 0.000 0.000 0.209 160 K C 2.634 179.234 176.600 -0.001 0.000 1.048 160 K CA 1.154 57.441 56.287 0.000 0.000 0.930 160 K CB -0.371 32.129 32.500 0.000 0.000 0.714 160 K HN 0.352 nan 8.250 nan 0.000 0.438 161 L N 1.143 122.366 121.223 -0.001 0.000 2.034 161 L HA -0.286 4.054 4.340 0.000 0.000 0.217 161 L C 2.492 179.360 176.870 -0.004 0.000 1.077 161 L CA 1.596 56.435 54.840 -0.002 0.000 0.769 161 L CB -0.399 41.660 42.059 -0.001 0.000 0.890 161 L HN 0.325 nan 8.230 nan 0.000 0.435 162 I N -0.784 119.784 120.570 -0.003 0.000 2.090 162 I HA -0.333 3.837 4.170 0.000 0.000 0.236 162 I C 2.811 178.924 176.117 -0.006 0.000 1.064 162 I CA 1.287 62.584 61.300 -0.006 0.000 1.324 162 I CB -0.668 37.330 38.000 -0.003 0.000 1.044 162 I HN 0.251 nan 8.210 nan 0.000 0.399 163 A N 0.610 123.428 122.820 -0.004 0.000 1.915 163 A HA -0.305 4.015 4.320 0.000 0.000 0.220 163 A C 2.180 179.761 177.584 -0.005 0.000 1.198 163 A CA 2.317 54.351 52.037 -0.004 0.000 0.647 163 A CB -0.907 18.092 19.000 -0.002 0.000 0.825 163 A HN 0.549 nan 8.150 nan 0.000 0.456 164 E N -0.641 119.557 120.200 -0.005 0.000 2.153 164 E HA -0.109 4.241 4.350 0.000 0.000 0.194 164 E C 2.311 178.907 176.600 -0.007 0.000 0.988 164 E CA 0.864 57.261 56.400 -0.005 0.000 0.811 164 E CB -0.278 29.420 29.700 -0.004 0.000 0.746 164 E HN 0.677 nan 8.360 nan 0.000 0.466 165 A N 1.279 124.094 122.820 -0.008 0.000 1.854 165 A HA -0.139 4.181 4.320 0.000 0.000 0.214 165 A C 2.177 179.753 177.584 -0.013 0.000 1.192 165 A CA 1.122 53.152 52.037 -0.011 0.000 0.611 165 A CB -0.405 18.587 19.000 -0.014 0.000 0.832 165 A HN 0.103 nan 8.150 nan 0.000 0.442 166 M N -0.820 118.773 119.600 -0.013 0.000 2.213 166 M HA -0.157 4.323 4.480 0.000 0.000 0.263 166 M C 1.360 177.654 176.300 -0.010 0.000 1.062 166 M CA 1.708 57.000 55.300 -0.013 0.000 1.105 166 M CB -0.580 32.012 32.600 -0.012 0.000 1.385 166 M HN 0.359 nan 8.290 nan 0.000 0.417 167 D N 0.311 120.706 120.400 -0.008 0.000 2.378 167 D HA -0.059 4.581 4.640 0.000 0.000 0.227 167 D C 1.802 178.098 176.300 -0.007 0.000 1.012 167 D CA 0.753 54.749 54.000 -0.007 0.000 0.905 167 D CB 0.308 41.105 40.800 -0.005 0.000 0.895 167 D HN 0.039 nan 8.370 nan 0.000 0.532 168 K N -0.669 119.726 120.400 -0.008 0.000 2.399 168 K HA 0.116 4.436 4.320 0.000 0.000 0.196 168 K C 0.870 177.465 176.600 -0.009 0.000 1.103 168 K CA 0.447 56.729 56.287 -0.008 0.000 0.986 168 K CB 1.532 34.027 32.500 -0.009 0.000 0.952 168 K HN 0.151 nan 8.250 nan 0.000 0.541 169 V N -3.038 116.870 119.914 -0.011 0.000 3.261 169 V HA 0.438 4.558 4.120 0.000 0.000 0.330 169 V C 0.246 176.333 176.094 -0.012 0.000 1.461 169 V CA -0.197 62.096 62.300 -0.011 0.000 1.127 169 V CB 0.097 31.911 31.823 -0.014 0.000 1.044 169 V HN 0.217 nan 8.190 nan 0.000 0.499 170 G N 2.530 111.324 108.800 -0.010 0.000 2.750 170 G HA2 -0.210 3.750 3.960 0.000 0.000 0.686 170 G HA3 -0.210 3.750 3.960 0.000 0.000 0.686 170 G C 0.260 175.153 174.900 -0.012 0.000 1.395 170 G CA -0.006 45.088 45.100 -0.010 0.000 0.918 170 G HN 0.782 nan 8.290 nan 0.000 0.594 171 K N 0.363 120.756 120.400 -0.011 0.000 2.585 171 K HA -0.028 4.292 4.320 0.000 0.000 0.194 171 K C 0.647 177.238 176.600 -0.015 0.000 1.037 171 K CA 1.399 57.679 56.287 -0.013 0.000 0.964 171 K CB 0.378 32.872 32.500 -0.009 0.000 0.787 171 K HN 0.524 nan 8.250 nan 0.000 0.488 172 E N 1.080 121.272 120.200 -0.014 0.000 2.624 172 E HA 0.122 4.472 4.350 0.000 0.000 0.210 172 E C 0.458 177.048 176.600 -0.017 0.000 0.997 172 E CA -0.092 56.299 56.400 -0.014 0.000 0.999 172 E CB 1.164 30.859 29.700 -0.009 0.000 1.040 172 E HN 0.412 nan 8.360 nan 0.000 0.469 173 G N 0.442 109.230 108.800 -0.020 0.000 2.568 173 G HA2 0.429 4.389 3.960 0.000 0.000 0.293 173 G HA3 0.429 4.389 3.960 0.000 0.000 0.293 173 G C -0.064 174.817 174.900 -0.031 0.000 1.347 173 G CA -0.432 44.655 45.100 -0.022 0.000 1.039 173 G HN -0.035 nan 8.290 nan 0.000 0.523 174 V N 0.063 119.959 119.914 -0.031 0.000 2.509 174 V HA 0.565 4.685 4.120 0.000 0.000 0.284 174 V C -0.116 175.953 176.094 -0.042 0.000 1.047 174 V CA -0.355 61.921 62.300 -0.041 0.000 0.952 174 V CB 0.904 32.704 31.823 -0.037 0.000 0.988 174 V HN 0.478 nan 8.190 nan 0.000 0.469 175 I N 3.197 123.735 120.570 -0.054 0.000 2.571 175 I HA 0.517 4.687 4.170 0.000 0.000 0.289 175 I C -0.372 175.714 176.117 -0.052 0.000 1.115 175 I CA -0.157 61.113 61.300 -0.049 0.000 1.045 175 I CB 2.456 40.425 38.000 -0.051 0.000 1.238 175 I HN 0.613 nan 8.210 nan 0.000 0.424 176 T N 4.606 119.137 114.554 -0.038 0.000 2.907 176 T HA 0.594 4.944 4.350 0.000 0.000 0.292 176 T C -0.465 174.222 174.700 -0.020 0.000 1.043 176 T CA -0.720 61.360 62.100 -0.032 0.000 1.003 176 T CB 2.482 71.332 68.868 -0.031 0.000 1.084 176 T HN 0.383 nan 8.240 nan 0.000 0.483 177 V N 0.115 120.022 119.914 -0.012 0.000 2.378 177 V HA 0.639 4.759 4.120 0.000 0.000 0.288 177 V C -0.185 175.908 176.094 -0.002 0.000 1.016 177 V CA -0.816 61.481 62.300 -0.005 0.000 0.840 177 V CB 0.980 32.805 31.823 0.003 0.000 0.994 177 V HN 0.866 nan 8.190 nan 0.000 0.431 178 E N 2.579 122.777 120.200 -0.004 0.000 2.961 178 E HA 0.429 4.779 4.350 0.000 0.000 0.254 178 E C -0.935 175.665 176.600 -0.000 0.000 1.192 178 E CA -0.940 55.458 56.400 -0.003 0.000 1.069 178 E CB 0.823 30.519 29.700 -0.007 0.000 1.338 178 E HN 0.763 nan 8.360 nan 0.000 0.596 179 D N -0.128 120.272 120.400 -0.001 0.000 2.277 179 D HA 0.285 4.925 4.640 0.000 0.000 0.250 179 D C -0.149 176.150 176.300 -0.001 0.000 1.032 179 D CA -0.227 53.774 54.000 0.001 0.000 0.947 179 D CB 1.500 42.300 40.800 0.001 0.000 1.159 179 D HN 0.441 nan 8.370 nan 0.000 0.460 180 G N -0.911 107.889 108.800 0.000 0.000 2.539 180 G HA2 0.287 4.247 3.960 0.000 0.000 0.258 180 G HA3 0.287 4.247 3.960 0.000 0.000 0.258 180 G C 0.828 175.727 174.900 -0.001 0.000 1.202 180 G CA -0.307 44.793 45.100 -0.000 0.000 0.851 180 G HN 0.448 nan 8.290 nan 0.000 0.556 181 T N -2.735 111.818 114.554 -0.002 0.000 3.069 181 T HA 0.471 4.821 4.350 0.000 0.000 0.252 181 T C 0.971 175.670 174.700 -0.001 0.000 1.053 181 T CA 0.510 62.609 62.100 -0.002 0.000 0.964 181 T CB 0.341 69.208 68.868 -0.003 0.000 1.005 181 T HN 2.009 nan 8.240 nan 0.000 0.532 182 G N 2.011 110.811 108.800 -0.001 0.000 2.314 182 G HA2 0.301 4.261 3.960 0.000 0.000 0.286 182 G HA3 0.301 4.261 3.960 0.000 0.000 0.286 182 G C -0.568 174.331 174.900 -0.000 0.000 1.270 182 G CA -0.617 44.483 45.100 -0.000 0.000 1.277 182 G HN 0.626 nan 8.290 nan 0.000 0.635 183 L N -0.034 121.189 121.223 0.000 0.000 0.611 183 L HA -0.184 4.156 4.340 0.000 0.000 0.356 183 L C 0.473 177.342 176.870 -0.000 0.000 1.007 183 L CA 2.315 57.155 54.840 0.000 0.000 1.222 183 L CB -0.309 41.750 42.059 0.000 0.000 0.016 183 L HN 1.794 nan 8.230 nan 0.000 0.101 184 Q N 1.536 121.335 119.800 -0.000 0.000 2.667 184 Q HA -0.124 4.216 4.340 0.000 0.000 0.210 184 Q C -0.624 175.375 176.000 -0.001 0.000 1.417 184 Q CA 1.024 56.827 55.803 -0.001 0.000 0.607 184 Q CB -0.576 28.162 28.738 -0.001 0.000 0.739 184 Q HN 0.593 nan 8.270 nan 0.000 0.315 185 D N 3.370 123.770 120.400 -0.001 0.000 2.455 185 D HA 0.044 4.684 4.640 0.000 0.000 0.241 185 D C 0.298 176.597 176.300 -0.002 0.000 1.138 185 D CA 0.741 54.741 54.000 -0.001 0.000 0.877 185 D CB 0.721 41.521 40.800 -0.001 0.000 1.187 185 D HN 0.306 nan 8.370 nan 0.000 0.451 186 E N 0.337 120.536 120.200 -0.003 0.000 2.221 186 E HA 0.595 4.945 4.350 0.000 0.000 0.268 186 E C -0.901 175.696 176.600 -0.005 0.000 0.933 186 E CA -0.988 55.409 56.400 -0.004 0.000 0.809 186 E CB 2.274 31.972 29.700 -0.004 0.000 1.190 186 E HN 0.125 nan 8.360 nan 0.000 0.406 187 L N 2.823 124.043 121.223 -0.005 0.000 2.543 187 L HA 0.421 4.761 4.340 0.000 0.000 0.265 187 L C -2.166 174.700 176.870 -0.007 0.000 0.945 187 L CA -0.251 54.585 54.840 -0.006 0.000 0.869 187 L CB 1.775 43.830 42.059 -0.006 0.000 1.294 187 L HN 0.618 nan 8.230 nan 0.000 0.405 188 D N 3.398 123.793 120.400 -0.008 0.000 2.653 188 D HA 0.433 5.073 4.640 0.000 0.000 0.258 188 D C -1.374 174.920 176.300 -0.009 0.000 1.252 188 D CA -0.419 53.576 54.000 -0.008 0.000 0.777 188 D CB 2.028 42.824 40.800 -0.007 0.000 1.339 188 D HN 0.310 nan 8.370 nan 0.000 0.422 189 V N 0.214 120.123 119.914 -0.008 0.000 2.472 189 V HA 0.598 4.718 4.120 0.000 0.000 0.290 189 V C 0.326 176.415 176.094 -0.008 0.000 1.037 189 V CA -0.655 61.639 62.300 -0.009 0.000 0.908 189 V CB 1.310 33.128 31.823 -0.008 0.000 0.985 189 V HN 0.606 nan 8.190 nan 0.000 0.454 190 V N 1.151 121.059 119.914 -0.009 0.000 2.962 190 V HA 0.650 4.770 4.120 0.000 0.000 0.313 190 V C -0.335 175.755 176.094 -0.007 0.000 1.099 190 V CA -1.011 61.284 62.300 -0.008 0.000 0.971 190 V CB 2.162 33.979 31.823 -0.010 0.000 1.028 190 V HN 0.715 nan 8.190 nan 0.000 0.430 191 E N 2.465 122.663 120.200 -0.004 0.000 2.341 191 E HA 0.468 4.818 4.350 0.000 0.000 0.256 191 E C 0.353 176.954 176.600 0.001 0.000 1.125 191 E CA 0.833 57.233 56.400 -0.000 0.000 0.939 191 E CB 0.774 30.475 29.700 0.001 0.000 0.991 191 E HN 1.098 nan 8.360 nan 0.000 0.458 192 G N 1.684 110.485 108.800 0.003 0.000 2.911 192 G HA2 0.750 4.710 3.960 0.000 0.000 0.299 192 G HA3 0.750 4.710 3.960 0.000 0.000 0.299 192 G C -0.923 173.987 174.900 0.016 0.000 1.283 192 G CA -0.551 44.552 45.100 0.005 0.000 0.805 192 G HN 0.416 nan 8.290 nan 0.000 0.548 193 M N -0.889 118.721 119.600 0.017 0.000 2.895 193 M HA 0.523 5.003 4.480 0.000 0.000 0.271 193 M C -2.465 173.838 176.300 0.004 0.000 1.174 193 M CA -0.623 54.701 55.300 0.040 0.000 0.816 193 M CB 2.365 35.025 32.600 0.100 0.000 1.647 193 M HN 0.639 nan 8.290 nan 0.000 0.506 194 Q N 2.727 122.539 119.800 0.020 0.000 2.280 194 Q HA 0.545 4.885 4.340 0.000 0.000 0.259 194 Q C -2.256 173.745 176.000 0.002 0.000 0.964 194 Q CA -0.524 55.219 55.803 -0.100 0.000 0.844 194 Q CB 1.853 30.533 28.738 -0.098 0.000 1.334 194 Q HN 0.583 nan 8.270 nan 0.000 0.423 195 F N -0.014 119.929 119.950 -0.013 0.000 2.579 195 F HA 0.548 5.075 4.527 0.000 0.000 0.324 195 F C 0.112 175.905 175.800 -0.011 0.000 1.058 195 F CA -1.138 56.857 58.000 -0.009 0.000 0.944 195 F CB 0.975 39.973 39.000 -0.003 0.000 1.245 195 F HN 0.288 nan 8.300 nan 0.000 0.477 196 D N 2.419 122.950 120.400 0.218 0.000 2.982 196 D HA 0.090 4.730 4.640 0.000 0.000 0.238 196 D C -0.164 176.217 176.300 0.134 0.000 1.168 196 D CA 0.352 54.419 54.000 0.112 0.000 0.947 196 D CB -0.056 40.797 40.800 0.087 0.000 1.147 196 D HN 0.243 nan 8.370 nan 0.000 0.450 197 R N -0.048 120.555 120.500 0.171 0.000 2.686 197 R HA 0.597 4.937 4.340 0.000 0.000 0.286 197 R C 0.371 176.679 176.300 0.013 0.000 0.969 197 R CA -0.719 55.475 56.100 0.157 0.000 0.898 197 R CB 2.175 32.686 30.300 0.352 0.000 1.183 197 R HN 0.099 nan 8.270 nan 0.000 0.456 198 G N 0.842 109.619 108.800 -0.040 0.000 2.667 198 G HA2 0.454 4.414 3.960 0.000 0.000 0.310 198 G HA3 0.454 4.414 3.960 0.000 0.000 0.310 198 G C -0.762 174.098 174.900 -0.067 0.000 1.259 198 G CA -0.563 44.428 45.100 -0.182 0.000 1.019 198 G HN 0.434 nan 8.290 nan 0.000 0.496 199 Y N -0.817 119.505 120.300 0.037 0.000 2.550 199 Y HA 0.278 4.828 4.550 0.000 0.000 0.343 199 Y C 1.351 177.315 175.900 0.107 0.000 1.245 199 Y CA -1.050 57.084 58.100 0.056 0.000 1.462 199 Y CB 0.190 38.721 38.460 0.119 0.000 1.340 199 Y HN 0.213 nan 8.280 nan 0.000 0.604 200 L N 1.268 122.735 121.223 0.407 0.000 2.240 200 L HA 0.051 4.391 4.340 0.000 0.000 0.211 200 L C 0.522 177.601 176.870 0.348 0.000 1.106 200 L CA 1.188 56.230 54.840 0.337 0.000 0.793 200 L CB -0.457 41.769 42.059 0.278 0.000 0.927 200 L HN 0.838 nan 8.230 nan 0.000 0.446 201 S N -3.100 112.829 115.700 0.382 0.000 2.537 201 S HA 0.486 4.956 4.470 0.000 0.000 0.271 201 S C -2.751 171.695 174.600 -0.257 0.000 1.148 201 S CA -1.206 57.036 58.200 0.071 0.000 0.868 201 S CB 2.062 65.285 63.200 0.040 0.000 1.115 201 S HN -0.285 nan 8.310 nan 0.000 0.461 202 P HA 0.206 nan 4.420 nan 0.000 0.317 202 P C 0.258 177.240 177.300 -0.530 0.000 1.427 202 P CA 0.561 63.175 63.100 -0.810 0.000 0.820 202 P CB -0.156 31.076 31.700 -0.780 0.000 1.894 203 Y N -4.569 115.553 120.300 -0.297 0.000 2.843 203 Y HA -0.314 4.236 4.550 0.000 0.000 0.492 203 Y C 1.962 177.735 175.900 -0.212 0.000 1.055 203 Y CA 1.487 59.424 58.100 -0.271 0.000 2.997 203 Y CB -3.173 35.072 38.460 -0.359 0.000 0.837 203 Y HN 0.081 nan 8.280 nan 0.000 0.553 204 F N 0.473 120.433 119.950 0.016 0.000 2.236 204 F HA -0.126 4.401 4.527 0.000 0.000 0.302 204 F C 1.503 177.304 175.800 0.002 0.000 1.073 204 F CA 0.985 58.993 58.000 0.013 0.000 1.336 204 F CB -0.759 38.245 39.000 0.006 0.000 1.040 204 F HN -0.010 nan 8.300 nan 0.000 0.507 205 I N 2.507 123.148 120.570 0.118 0.000 2.943 205 I HA -0.225 3.945 4.170 0.000 0.000 0.296 205 I C 0.756 176.919 176.117 0.077 0.000 1.220 205 I CA 0.533 61.875 61.300 0.070 0.000 1.409 205 I CB -0.130 37.861 38.000 -0.016 0.000 1.374 205 I HN 0.239 nan 8.210 nan 0.000 0.545 206 N N 4.859 123.608 118.700 0.082 0.000 2.184 206 N HA 0.070 4.810 4.740 0.000 0.000 0.206 206 N C -0.024 175.516 175.510 0.051 0.000 1.151 206 N CA -0.134 52.956 53.050 0.066 0.000 0.878 206 N CB 0.481 39.010 38.487 0.069 0.000 1.014 206 N HN 0.485 nan 8.380 nan 0.000 0.512 207 K N 1.136 121.567 120.400 0.051 0.000 2.842 207 K HA 0.245 4.565 4.320 0.000 0.000 0.176 207 K C -2.160 174.464 176.600 0.040 0.000 1.080 207 K CA -1.550 54.762 56.287 0.042 0.000 0.954 207 K CB 1.898 34.423 32.500 0.042 0.000 1.203 207 K HN -0.001 nan 8.250 nan 0.000 0.611 208 P HA -0.171 nan 4.420 nan 0.000 0.231 208 P C 0.208 177.520 177.300 0.021 0.000 1.154 208 P CA 1.084 64.198 63.100 0.024 0.000 0.762 208 P CB 0.506 32.217 31.700 0.018 0.000 0.790 209 E N -0.149 120.065 120.200 0.022 0.000 2.021 209 E HA -0.074 4.276 4.350 0.000 0.000 0.189 209 E C 2.061 178.671 176.600 0.017 0.000 0.980 209 E CA 1.693 58.102 56.400 0.016 0.000 0.803 209 E CB -0.913 28.797 29.700 0.016 0.000 0.766 209 E HN 0.197 nan 8.360 nan 0.000 0.449 210 T N -1.288 113.282 114.554 0.027 0.000 2.942 210 T HA 0.112 4.462 4.350 0.000 0.000 0.265 210 T C 1.356 176.081 174.700 0.042 0.000 1.062 210 T CA 0.910 63.029 62.100 0.031 0.000 1.139 210 T CB 0.015 68.909 68.868 0.043 0.000 0.883 210 T HN 0.419 nan 8.240 nan 0.000 0.468 211 G N 1.075 109.908 108.800 0.056 0.000 2.130 211 G HA2 0.111 4.071 3.960 0.000 0.000 0.216 211 G HA3 0.111 4.071 3.960 0.000 0.000 0.216 211 G C 0.033 175.023 174.900 0.150 0.000 0.999 211 G CA -0.059 45.090 45.100 0.082 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.524 121.372 122.820 0.128 0.000 2.475 212 A HA 0.989 5.309 4.320 0.000 0.000 0.281 212 A C -0.279 177.387 177.584 0.137 0.000 1.263 212 A CA -0.146 51.992 52.037 0.169 0.000 0.776 212 A CB 1.645 20.710 19.000 0.109 0.000 1.347 212 A HN 1.246 nan 8.150 nan 0.000 0.443 213 V N 0.236 120.234 119.914 0.140 0.000 2.769 213 V HA 0.664 4.784 4.120 0.000 0.000 0.312 213 V C -0.305 175.827 176.094 0.063 0.000 1.058 213 V CA -0.422 61.943 62.300 0.108 0.000 0.952 213 V CB 1.628 33.528 31.823 0.128 0.000 1.019 213 V HN 0.909 nan 8.190 nan 0.000 0.445 214 E N 2.834 123.065 120.200 0.051 0.000 2.274 214 E HA 0.613 4.963 4.350 0.000 0.000 0.269 214 E C -2.010 174.605 176.600 0.025 0.000 0.891 214 E CA -0.535 55.882 56.400 0.028 0.000 0.784 214 E CB 1.672 31.387 29.700 0.026 0.000 1.225 214 E HN 0.623 nan 8.360 nan 0.000 0.412 215 L N 3.430 124.659 121.223 0.011 0.000 2.381 215 L HA 0.520 4.860 4.340 0.000 0.000 0.274 215 L C -0.420 176.443 176.870 -0.011 0.000 0.988 215 L CA -0.871 53.973 54.840 0.007 0.000 0.824 215 L CB 1.992 44.056 42.059 0.008 0.000 1.263 215 L HN 0.475 nan 8.230 nan 0.000 0.410 216 E N 1.512 121.703 120.200 -0.015 0.000 2.156 216 E HA 0.302 4.652 4.350 0.000 0.000 0.279 216 E C -0.156 176.410 176.600 -0.058 0.000 0.965 216 E CA -0.535 55.846 56.400 -0.030 0.000 0.789 216 E CB 1.565 31.252 29.700 -0.021 0.000 1.098 216 E HN 0.635 nan 8.360 nan 0.000 0.397 217 S N 1.709 117.361 115.700 -0.080 0.000 3.614 217 S HA -0.123 4.347 4.470 0.000 0.000 0.360 217 S C -2.035 172.436 174.600 -0.215 0.000 1.023 217 S CA 0.411 58.529 58.200 -0.138 0.000 1.114 217 S CB -1.340 61.782 63.200 -0.129 0.000 0.907 217 S HN 0.516 nan 8.310 nan 0.000 0.470 218 P HA 0.548 nan 4.420 nan 0.000 0.279 218 P C -0.114 177.055 177.300 -0.218 0.000 1.276 218 P CA -0.605 62.407 63.100 -0.146 0.000 0.801 218 P CB 0.540 32.222 31.700 -0.030 0.000 1.127 219 F N -0.521 119.436 119.950 0.011 0.000 2.432 219 F HA 0.475 5.002 4.527 0.000 0.000 0.329 219 F C 0.747 176.554 175.800 0.012 0.000 1.076 219 F CA -0.439 57.568 58.000 0.012 0.000 1.018 219 F CB 0.882 39.889 39.000 0.012 0.000 1.201 219 F HN 0.046 nan 8.300 nan 0.000 0.489 220 I N 3.135 123.846 120.570 0.235 0.000 2.569 220 I HA 0.386 4.556 4.170 0.000 0.000 0.296 220 I C -1.427 174.753 176.117 0.105 0.000 1.028 220 I CA -1.116 60.264 61.300 0.133 0.000 1.082 220 I CB 2.085 40.144 38.000 0.099 0.000 1.264 220 I HN 0.233 nan 8.210 nan 0.000 0.429 221 L N 6.893 128.158 121.223 0.071 0.000 2.280 221 L HA 0.524 4.864 4.340 0.000 0.000 0.287 221 L C -1.093 175.796 176.870 0.032 0.000 1.023 221 L CA -0.186 54.680 54.840 0.043 0.000 0.819 221 L CB 0.971 43.049 42.059 0.032 0.000 1.212 221 L HN 0.474 nan 8.230 nan 0.000 0.420 222 L N 6.142 127.379 121.223 0.024 0.000 2.301 222 L HA 0.797 5.137 4.340 0.000 0.000 0.278 222 L C -0.276 176.596 176.870 0.003 0.000 1.022 222 L CA -0.426 54.420 54.840 0.011 0.000 0.854 222 L CB 1.180 43.244 42.059 0.009 0.000 1.226 222 L HN 0.781 nan 8.230 nan 0.000 0.429 223 A N 1.858 124.679 122.820 0.001 0.000 2.381 223 A HA 0.442 4.762 4.320 0.000 0.000 0.299 223 A C -1.065 176.518 177.584 -0.002 0.000 1.049 223 A CA -0.587 51.450 52.037 0.001 0.000 0.715 223 A CB 1.463 20.466 19.000 0.005 0.000 1.222 223 A HN 0.640 nan 8.150 nan 0.000 0.428 224 D N 2.524 122.921 120.400 -0.004 0.000 2.422 224 D HA 0.487 5.127 4.640 0.000 0.000 0.227 224 D C -0.048 176.254 176.300 0.003 0.000 1.190 224 D CA 0.426 54.423 54.000 -0.004 0.000 0.905 224 D CB -0.283 40.513 40.800 -0.008 0.000 1.034 224 D HN 0.705 nan 8.370 nan 0.000 0.507 225 K N 0.734 121.139 120.400 0.008 0.000 3.663 225 K HA 0.128 4.448 4.320 0.000 0.000 0.413 225 K C -1.407 175.204 176.600 0.018 0.000 1.089 225 K CA -1.130 55.165 56.287 0.013 0.000 0.860 225 K CB 0.238 32.745 32.500 0.011 0.000 1.492 225 K HN 0.025 nan 8.250 nan 0.000 0.517 226 K N 0.866 121.278 120.400 0.021 0.000 2.118 226 K HA 0.512 4.832 4.320 0.000 0.000 0.264 226 K C -0.504 176.111 176.600 0.025 0.000 1.000 226 K CA -0.622 55.681 56.287 0.025 0.000 0.929 226 K CB 0.881 33.396 32.500 0.026 0.000 1.021 226 K HN 0.376 nan 8.250 nan 0.000 0.463 227 I N 1.678 122.267 120.570 0.030 0.000 2.439 227 I HA 0.099 4.269 4.170 0.000 0.000 0.283 227 I C 0.162 176.300 176.117 0.035 0.000 1.023 227 I CA -0.108 61.211 61.300 0.031 0.000 1.100 227 I CB 1.915 39.935 38.000 0.033 0.000 1.238 227 I HN 0.626 nan 8.210 nan 0.000 0.445 228 S N 2.828 118.545 115.700 0.029 0.000 2.807 228 S HA 0.172 4.642 4.470 0.000 0.000 0.247 228 S C 0.719 175.335 174.600 0.026 0.000 1.078 228 S CA -0.124 58.094 58.200 0.030 0.000 0.867 228 S CB 0.283 63.498 63.200 0.025 0.000 0.797 228 S HN 0.575 nan 8.310 nan 0.000 0.515 229 N N 2.920 121.633 118.700 0.022 0.000 2.402 229 N HA 0.185 4.925 4.740 0.000 0.000 0.259 229 N C 0.679 176.200 175.510 0.019 0.000 1.167 229 N CA 0.022 53.083 53.050 0.018 0.000 0.949 229 N CB 0.833 39.329 38.487 0.014 0.000 1.212 229 N HN 0.337 nan 8.380 nan 0.000 0.493 230 I N 3.200 123.783 120.570 0.021 0.000 2.399 230 I HA -0.298 3.872 4.170 0.000 0.000 0.254 230 I C 1.904 178.031 176.117 0.016 0.000 1.146 230 I CA 1.183 62.497 61.300 0.022 0.000 1.412 230 I CB 0.204 38.217 38.000 0.022 0.000 1.076 230 I HN 0.427 nan 8.210 nan 0.000 0.432 231 R N 0.828 121.335 120.500 0.012 0.000 2.119 231 R HA -0.242 4.098 4.340 0.000 0.000 0.246 231 R C 1.943 178.247 176.300 0.007 0.000 1.146 231 R CA 2.169 58.274 56.100 0.008 0.000 0.962 231 R CB -0.479 29.825 30.300 0.007 0.000 0.863 231 R HN 0.575 nan 8.270 nan 0.000 0.442 232 E N -0.182 120.023 120.200 0.009 0.000 2.265 232 E HA -0.172 4.178 4.350 0.000 0.000 0.196 232 E C 1.909 178.512 176.600 0.005 0.000 0.996 232 E CA 0.857 57.260 56.400 0.006 0.000 0.832 232 E CB 0.025 29.731 29.700 0.009 0.000 0.756 232 E HN 0.273 nan 8.360 nan 0.000 0.491 233 M N 0.204 119.809 119.600 0.009 0.000 2.115 233 M HA -0.048 4.432 4.480 0.000 0.000 0.261 233 M C 2.403 178.703 176.300 0.001 0.000 1.079 233 M CA 1.081 56.385 55.300 0.008 0.000 1.143 233 M CB -1.037 31.574 32.600 0.018 0.000 1.332 233 M HN 0.139 nan 8.290 nan 0.000 0.421 234 L N 0.638 121.862 121.223 0.003 0.000 2.143 234 L HA -0.282 4.058 4.340 0.000 0.000 0.231 234 L C -0.434 176.430 176.870 -0.010 0.000 1.106 234 L CA 2.070 56.909 54.840 -0.001 0.000 0.827 234 L CB -2.858 39.201 42.059 0.000 0.000 0.915 234 L HN 0.217 nan 8.230 nan 0.000 0.448 235 P HA -0.113 nan 4.420 nan 0.000 0.226 235 P C 1.379 178.660 177.300 -0.032 0.000 1.146 235 P CA 1.385 64.474 63.100 -0.019 0.000 0.773 235 P CB 0.197 31.887 31.700 -0.016 0.000 0.772 236 V N -1.357 118.537 119.914 -0.033 0.000 3.371 236 V HA 0.071 4.191 4.120 0.000 0.000 0.246 236 V C 2.448 178.512 176.094 -0.051 0.000 1.303 236 V CA 0.228 62.496 62.300 -0.053 0.000 1.156 236 V CB -0.494 31.300 31.823 -0.049 0.000 0.929 236 V HN -0.042 nan 8.190 nan 0.000 0.459 237 L N 0.276 121.485 121.223 -0.023 0.000 2.362 237 L HA -0.073 4.267 4.340 0.000 0.000 0.219 237 L C 2.232 179.096 176.870 -0.010 0.000 1.134 237 L CA 1.483 56.318 54.840 -0.008 0.000 0.807 237 L CB -0.178 41.887 42.059 0.009 0.000 0.927 237 L HN 0.469 nan 8.230 nan 0.000 0.447 238 E N -0.479 119.709 120.200 -0.020 0.000 2.251 238 E HA 0.037 4.387 4.350 0.000 0.000 0.194 238 E C 2.129 178.710 176.600 -0.032 0.000 0.964 238 E CA 0.623 57.012 56.400 -0.017 0.000 0.868 238 E CB 0.138 29.831 29.700 -0.013 0.000 0.828 238 E HN 0.388 nan 8.360 nan 0.000 0.481 239 A N 0.967 123.753 122.820 -0.057 0.000 2.168 239 A HA -0.021 4.299 4.320 0.000 0.000 0.215 239 A C 1.992 179.502 177.584 -0.124 0.000 1.152 239 A CA 0.657 52.642 52.037 -0.086 0.000 0.716 239 A CB 0.087 19.021 19.000 -0.110 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.259 118.593 119.914 -0.103 0.000 3.621 240 V HA 0.141 4.261 4.120 0.000 0.000 0.285 240 V C 2.323 178.428 176.094 0.017 0.000 1.346 240 V CA 0.836 63.085 62.300 -0.084 0.000 1.104 240 V CB 0.039 31.816 31.823 -0.076 0.000 0.913 240 V HN 0.532 nan 8.190 nan 0.000 0.432 241 A N -0.289 122.536 122.820 0.009 0.000 1.975 241 A HA 0.082 4.402 4.320 0.000 0.000 0.215 241 A C 1.438 179.044 177.584 0.036 0.000 1.170 241 A CA 0.706 52.760 52.037 0.028 0.000 0.656 241 A CB 0.023 19.033 19.000 0.017 0.000 0.821 241 A HN 0.453 nan 8.150 nan 0.000 0.449 242 K N -2.138 118.276 120.400 0.024 0.000 2.118 242 K HA 0.434 4.754 4.320 0.000 0.000 0.240 242 K C 1.067 177.710 176.600 0.072 0.000 1.035 242 K CA 0.303 56.610 56.287 0.034 0.000 0.899 242 K CB 0.336 32.845 32.500 0.014 0.000 1.085 242 K HN 0.594 nan 8.250 nan 0.000 0.498 243 A N 0.314 123.183 122.820 0.081 0.000 4.115 243 A HA -0.240 4.080 4.320 0.000 0.000 0.268 243 A C 1.204 178.862 177.584 0.124 0.000 0.917 243 A CA 1.807 53.920 52.037 0.127 0.000 1.090 243 A CB -2.439 16.698 19.000 0.228 0.000 1.067 243 A HN 1.394 nan 8.150 nan 0.000 0.828 244 G N -1.252 107.611 108.800 0.105 0.000 2.321 244 G HA2 -0.313 3.647 3.960 0.000 0.000 0.287 244 G HA3 -0.313 3.647 3.960 0.000 0.000 0.287 244 G C -0.018 174.939 174.900 0.094 0.000 1.018 244 G CA 1.519 46.670 45.100 0.085 0.000 0.855 244 G HN 1.169 nan 8.290 nan 0.000 0.507 245 K N 0.718 121.212 120.400 0.157 0.000 2.156 245 K HA 0.523 4.843 4.320 0.000 0.000 0.254 245 K C -2.013 174.689 176.600 0.171 0.000 0.950 245 K CA -1.994 54.367 56.287 0.124 0.000 0.849 245 K CB 2.343 34.868 32.500 0.041 0.000 1.100 245 K HN 0.068 nan 8.250 nan 0.000 0.434 246 P HA 0.122 nan 4.420 nan 0.000 0.274 246 P C -1.127 176.265 177.300 0.154 0.000 1.260 246 P CA -0.525 62.641 63.100 0.110 0.000 0.793 246 P CB 0.646 32.387 31.700 0.067 0.000 1.048 247 L N 0.304 121.602 121.223 0.124 0.000 2.401 247 L HA 0.566 4.906 4.340 0.000 0.000 0.266 247 L C -1.412 175.497 176.870 0.066 0.000 0.991 247 L CA -1.042 53.877 54.840 0.131 0.000 0.818 247 L CB 1.696 43.827 42.059 0.120 0.000 1.321 247 L HN 0.175 nan 8.230 nan 0.000 0.413 248 L N 5.110 126.372 121.223 0.065 0.000 2.322 248 L HA 0.662 5.002 4.340 0.000 0.000 0.281 248 L C -1.218 175.669 176.870 0.028 0.000 1.014 248 L CA -0.229 54.624 54.840 0.022 0.000 0.815 248 L CB 1.433 43.512 42.059 0.033 0.000 1.247 248 L HN 0.429 nan 8.230 nan 0.000 0.421 249 I N 6.796 127.363 120.570 -0.004 0.000 2.362 249 I HA 0.382 4.552 4.170 0.000 0.000 0.289 249 I C -0.392 175.740 176.117 0.025 0.000 0.994 249 I CA -0.288 61.019 61.300 0.012 0.000 1.158 249 I CB 1.244 39.247 38.000 0.005 0.000 1.315 249 I HN 0.535 nan 8.210 nan 0.000 0.451 250 I N 5.717 126.308 120.570 0.034 0.000 2.439 250 I HA 0.678 4.848 4.170 0.000 0.000 0.283 250 I C -0.034 176.088 176.117 0.009 0.000 1.023 250 I CA -0.241 61.077 61.300 0.030 0.000 1.100 250 I CB 1.781 39.799 38.000 0.030 0.000 1.238 250 I HN 0.709 nan 8.210 nan 0.000 0.445 251 A N 4.321 127.147 122.820 0.010 0.000 2.588 251 A HA 0.424 4.744 4.320 0.000 0.000 0.290 251 A C 0.619 178.209 177.584 0.010 0.000 1.136 251 A CA -0.540 51.501 52.037 0.007 0.000 0.681 251 A CB 1.399 20.409 19.000 0.017 0.000 1.282 251 A HN 0.713 nan 8.150 nan 0.000 0.421 252 E N -0.579 119.628 120.200 0.012 0.000 2.147 252 E HA -0.153 4.197 4.350 0.000 0.000 0.199 252 E C 0.119 176.738 176.600 0.031 0.000 1.005 252 E CA 2.126 58.539 56.400 0.020 0.000 0.810 252 E CB 0.072 29.786 29.700 0.023 0.000 0.736 252 E HN 0.639 nan 8.360 nan 0.000 0.460 253 D N -3.107 117.313 120.400 0.034 0.000 2.940 253 D HA 0.113 4.753 4.640 0.000 0.000 0.304 253 D C -2.080 174.249 176.300 0.049 0.000 1.255 253 D CA -0.371 53.656 54.000 0.045 0.000 0.734 253 D CB 1.018 41.845 40.800 0.044 0.000 1.261 253 D HN -0.135 nan 8.370 nan 0.000 0.436 254 V N 1.522 121.472 119.914 0.061 0.000 2.610 254 V HA 0.424 4.544 4.120 0.000 0.000 0.298 254 V C -0.559 175.577 176.094 0.071 0.000 1.067 254 V CA -0.684 61.657 62.300 0.067 0.000 0.894 254 V CB 1.595 33.469 31.823 0.085 0.000 1.015 254 V HN 0.443 nan 8.190 nan 0.000 0.432 255 E N 2.404 122.638 120.200 0.057 0.000 2.250 255 E HA 0.464 4.814 4.350 0.000 0.000 0.269 255 E C 1.420 178.050 176.600 0.050 0.000 1.018 255 E CA -0.135 56.296 56.400 0.052 0.000 0.873 255 E CB 1.637 31.360 29.700 0.040 0.000 1.134 255 E HN 0.776 nan 8.360 nan 0.000 0.403 256 G N 1.673 110.501 108.800 0.046 0.000 3.437 256 G HA2 -0.420 3.540 3.960 0.000 0.000 0.238 256 G HA3 -0.420 3.540 3.960 0.000 0.000 0.238 256 G C 1.220 176.141 174.900 0.035 0.000 1.054 256 G CA 1.669 46.793 45.100 0.040 0.000 0.704 256 G HN 0.543 nan 8.290 nan 0.000 0.713 257 E N 0.718 120.939 120.200 0.034 0.000 2.002 257 E HA 0.136 4.487 4.350 0.000 0.000 0.196 257 E C 2.939 179.560 176.600 0.035 0.000 0.974 257 E CA 0.953 57.370 56.400 0.029 0.000 0.853 257 E CB -0.865 28.850 29.700 0.025 0.000 0.808 257 E HN 0.332 nan 8.360 nan 0.000 0.492 258 A N 1.014 123.858 122.820 0.041 0.000 2.234 258 A HA -0.146 4.174 4.320 0.000 0.000 0.216 258 A C 2.074 179.701 177.584 0.072 0.000 1.167 258 A CA 1.159 53.226 52.037 0.049 0.000 0.698 258 A CB -0.471 18.558 19.000 0.048 0.000 0.779 258 A HN 0.328 nan 8.150 nan 0.000 0.475 259 L N -0.595 120.674 121.223 0.076 0.000 2.056 259 L HA 0.206 4.546 4.340 0.000 0.000 0.202 259 L C 2.512 179.429 176.870 0.078 0.000 1.086 259 L CA 2.117 57.022 54.840 0.107 0.000 0.758 259 L CB -1.016 41.106 42.059 0.105 0.000 0.912 259 L HN 0.224 nan 8.230 nan 0.000 0.446 260 A N -1.659 121.188 122.820 0.044 0.000 2.234 260 A HA -0.132 4.188 4.320 0.000 0.000 0.216 260 A C 2.054 179.635 177.584 -0.004 0.000 1.167 260 A CA 1.884 53.926 52.037 0.009 0.000 0.698 260 A CB -1.071 17.933 19.000 0.005 0.000 0.779 260 A HN 0.601 nan 8.150 nan 0.000 0.475 261 T N -0.082 114.485 114.554 0.021 0.000 2.814 261 T HA 0.051 4.401 4.350 0.000 0.000 0.254 261 T C 1.758 176.474 174.700 0.027 0.000 1.037 261 T CA 1.181 63.292 62.100 0.018 0.000 1.143 261 T CB -0.243 68.643 68.868 0.030 0.000 0.866 261 T HN 0.412 nan 8.240 nan 0.000 0.431 262 L N 1.118 122.383 121.223 0.070 0.000 2.156 262 L HA -0.001 4.339 4.340 0.000 0.000 0.208 262 L C 2.534 179.440 176.870 0.059 0.000 1.095 262 L CA 0.598 55.507 54.840 0.115 0.000 0.770 262 L CB -0.735 41.458 42.059 0.223 0.000 0.914 262 L HN 0.113 nan 8.230 nan 0.000 0.439 263 V N -0.427 119.463 119.914 -0.039 0.000 2.688 263 V HA -0.211 3.909 4.120 0.000 0.000 0.256 263 V C 2.141 178.109 176.094 -0.209 0.000 1.084 263 V CA 1.319 63.473 62.300 -0.245 0.000 1.103 263 V CB -0.186 31.512 31.823 -0.208 0.000 0.688 263 V HN 0.269 nan 8.190 nan 0.000 0.480 264 V N -1.013 118.831 119.914 -0.117 0.000 3.048 264 V HA -0.010 4.110 4.120 0.000 0.000 0.241 264 V C 1.908 177.965 176.094 -0.061 0.000 1.129 264 V CA 1.092 63.325 62.300 -0.113 0.000 1.128 264 V CB -0.468 31.300 31.823 -0.092 0.000 0.849 264 V HN 0.498 nan 8.190 nan 0.000 0.475 265 N N 0.972 119.660 118.700 -0.020 0.000 2.084 265 N HA -0.168 4.572 4.740 0.000 0.000 0.190 265 N C 1.780 177.300 175.510 0.017 0.000 1.030 265 N CA 1.892 54.944 53.050 0.004 0.000 0.849 265 N CB -0.037 38.465 38.487 0.026 0.000 1.012 265 N HN 0.587 nan 8.380 nan 0.000 0.423 266 T N -1.664 112.914 114.554 0.040 0.000 3.194 266 T HA 0.071 4.421 4.350 0.000 0.000 0.251 266 T C 1.406 176.122 174.700 0.026 0.000 1.132 266 T CA 0.128 62.265 62.100 0.062 0.000 1.028 266 T CB 0.106 69.058 68.868 0.141 0.000 0.976 266 T HN 0.031 nan 8.240 nan 0.000 0.535 267 M N 0.661 120.247 119.600 -0.023 0.000 2.447 267 M HA 0.392 4.872 4.480 0.000 0.000 0.266 267 M C 2.154 178.431 176.300 -0.038 0.000 1.120 267 M CA 1.044 56.309 55.300 -0.058 0.000 1.166 267 M CB 0.115 32.636 32.600 -0.131 0.000 1.349 267 M HN 0.061 nan 8.290 nan 0.000 0.463 268 R N -0.543 119.940 120.500 -0.028 0.000 2.297 268 R HA 0.293 4.633 4.340 0.000 0.000 0.197 268 R C 0.880 177.179 176.300 -0.003 0.000 0.943 268 R CA 0.710 56.799 56.100 -0.019 0.000 1.038 268 R CB 0.086 30.375 30.300 -0.019 0.000 0.957 268 R HN 0.601 nan 8.270 nan 0.000 0.484 269 G N 1.124 109.929 108.800 0.007 0.000 2.148 269 G HA2 -0.215 3.745 3.960 0.000 0.000 0.203 269 G HA3 -0.215 3.745 3.960 0.000 0.000 0.203 269 G C 0.126 175.040 174.900 0.024 0.000 0.993 269 G CA -0.525 44.586 45.100 0.019 0.000 0.661 269 G HN 0.212 nan 8.290 nan 0.000 0.518 270 I N 1.916 122.499 120.570 0.022 0.000 2.241 270 I HA 0.384 4.554 4.170 0.000 0.000 0.294 270 I C 0.816 176.956 176.117 0.039 0.000 1.145 270 I CA -0.760 60.556 61.300 0.026 0.000 1.261 270 I CB 0.588 38.599 38.000 0.017 0.000 1.475 270 I HN 0.099 nan 8.210 nan 0.000 0.533 271 V N 4.648 124.589 119.914 0.046 0.000 3.814 271 V HA -0.240 3.880 4.120 0.000 0.000 0.480 271 V C 0.180 176.320 176.094 0.076 0.000 0.682 271 V CA 0.417 62.753 62.300 0.060 0.000 1.959 271 V CB -1.499 30.358 31.823 0.056 0.000 2.372 271 V HN 0.756 nan 8.190 nan 0.000 0.501 272 K N 3.987 124.437 120.400 0.083 0.000 2.368 272 K HA 0.690 5.010 4.320 0.000 0.000 0.282 272 K C -0.171 176.498 176.600 0.114 0.000 1.035 272 K CA -0.116 56.234 56.287 0.105 0.000 0.973 272 K CB 1.333 33.889 32.500 0.094 0.000 0.957 272 K HN 0.530 nan 8.250 nan 0.000 0.474 273 V N 0.648 120.654 119.914 0.153 0.000 3.159 273 V HA 0.872 4.992 4.120 0.000 0.000 0.308 273 V C -1.137 174.983 176.094 0.043 0.000 1.190 273 V CA -1.060 61.303 62.300 0.106 0.000 1.037 273 V CB 2.242 34.131 31.823 0.110 0.000 1.060 273 V HN 0.821 nan 8.190 nan 0.000 0.437 274 A N 1.286 123.974 122.820 -0.220 0.000 2.594 274 A HA 1.039 5.359 4.320 0.000 0.000 0.295 274 A C -0.928 176.359 177.584 -0.495 0.000 1.071 274 A CA -0.049 51.496 52.037 -0.819 0.000 0.685 274 A CB 1.953 20.589 19.000 -0.606 0.000 1.285 274 A HN 1.973 nan 8.150 nan 0.000 0.405 275 A N 0.127 122.595 122.820 -0.586 0.000 2.498 275 A HA 0.932 5.253 4.320 0.000 0.000 0.298 275 A C -0.672 176.863 177.584 -0.081 0.000 1.075 275 A CA -0.090 51.834 52.037 -0.189 0.000 0.714 275 A CB 1.566 20.531 19.000 -0.059 0.000 1.299 275 A HN 2.369 nan 8.150 nan 0.000 0.407 276 V N -1.391 118.534 119.914 0.019 0.000 3.048 276 V HA 0.556 4.676 4.120 0.000 0.000 0.303 276 V C -0.608 175.542 176.094 0.094 0.000 1.214 276 V CA -1.336 61.014 62.300 0.084 0.000 0.984 276 V CB 1.324 33.224 31.823 0.129 0.000 1.054 276 V HN 0.912 nan 8.190 nan 0.000 0.430 277 K N 2.202 122.658 120.400 0.093 0.000 2.469 277 K HA 0.509 4.829 4.320 0.000 0.000 0.274 277 K C 0.800 177.419 176.600 0.032 0.000 0.983 277 K CA 0.517 56.842 56.287 0.063 0.000 0.974 277 K CB 0.764 33.303 32.500 0.065 0.000 0.913 277 K HN 1.148 nan 8.250 nan 0.000 0.493 278 A N 4.223 127.030 122.820 -0.022 0.000 2.364 278 A HA 0.177 4.497 4.320 0.000 0.000 0.258 278 A C -2.022 175.460 177.584 -0.170 0.000 1.131 278 A CA -0.727 51.233 52.037 -0.127 0.000 0.800 278 A CB -0.497 18.448 19.000 -0.093 0.000 1.086 278 A HN 0.549 nan 8.150 nan 0.000 0.508 279 P HA 0.410 nan 4.420 nan 0.000 0.284 279 P C 0.676 177.939 177.300 -0.062 0.000 1.253 279 P CA 1.101 64.059 63.100 -0.235 0.000 0.800 279 P CB 0.900 32.358 31.700 -0.405 0.000 0.961 280 G N 2.849 111.675 108.800 0.042 0.000 2.581 280 G HA2 -0.169 3.791 3.960 0.000 0.000 0.291 280 G HA3 -0.169 3.791 3.960 0.000 0.000 0.291 280 G C -0.522 174.537 174.900 0.266 0.000 1.277 280 G CA 0.712 45.906 45.100 0.155 0.000 0.959 280 G HN 0.771 nan 8.290 nan 0.000 0.554 281 F N -3.396 116.553 119.950 -0.002 0.000 2.831 281 F HA 0.730 5.257 4.527 0.000 0.000 0.318 281 F C 0.932 176.739 175.800 0.010 0.000 1.174 281 F CA 0.394 58.395 58.000 0.003 0.000 0.918 281 F CB 0.713 39.721 39.000 0.013 0.000 1.364 281 F HN 2.453 nan 8.300 nan 0.000 0.475 282 G N 0.989 109.795 108.800 0.010 0.000 2.527 282 G HA2 -0.256 3.704 3.960 0.000 0.000 0.268 282 G HA3 -0.256 3.704 3.960 0.000 0.000 0.268 282 G C 0.155 174.997 174.900 -0.096 0.000 1.175 282 G CA 0.504 45.545 45.100 -0.099 0.000 0.962 282 G HN 0.910 nan 8.290 nan 0.000 0.560 283 D N 0.966 121.292 120.400 -0.123 0.000 2.249 283 D HA -0.011 4.629 4.640 0.000 0.000 0.205 283 D C 2.533 178.774 176.300 -0.098 0.000 0.962 283 D CA 1.172 55.123 54.000 -0.082 0.000 0.860 283 D CB -0.017 40.746 40.800 -0.061 0.000 0.955 283 D HN 0.633 nan 8.370 nan 0.000 0.505 284 R N 1.129 121.539 120.500 -0.150 0.000 2.276 284 R HA 0.065 4.405 4.340 0.000 0.000 0.203 284 R C 2.086 178.314 176.300 -0.120 0.000 1.017 284 R CA 0.360 56.379 56.100 -0.136 0.000 1.010 284 R CB -0.232 29.967 30.300 -0.169 0.000 0.900 284 R HN 0.004 nan 8.270 nan 0.000 0.469 285 R N 2.099 122.530 120.500 -0.116 0.000 2.062 285 R HA -0.055 4.285 4.340 0.000 0.000 0.229 285 R C 1.229 177.488 176.300 -0.069 0.000 1.128 285 R CA 1.496 57.549 56.100 -0.078 0.000 0.960 285 R CB -0.041 30.240 30.300 -0.032 0.000 0.855 285 R HN 0.222 nan 8.270 nan 0.000 0.432 286 K N -0.087 120.279 120.400 -0.056 0.000 2.442 286 K HA -0.022 4.298 4.320 0.000 0.000 0.198 286 K C 1.690 178.261 176.600 -0.049 0.000 1.042 286 K CA 0.911 57.172 56.287 -0.045 0.000 0.958 286 K CB 0.178 32.659 32.500 -0.032 0.000 0.766 286 K HN 0.269 nan 8.250 nan 0.000 0.474 287 A N 0.908 123.693 122.820 -0.059 0.000 1.909 287 A HA 0.064 4.384 4.320 0.000 0.000 0.209 287 A C 2.043 179.590 177.584 -0.062 0.000 1.247 287 A CA 0.245 52.249 52.037 -0.055 0.000 0.660 287 A CB -0.210 18.756 19.000 -0.057 0.000 0.910 287 A HN 0.047 nan 8.150 nan 0.000 0.465 288 M N -0.357 119.196 119.600 -0.079 0.000 2.082 288 M HA -0.182 4.298 4.480 0.000 0.000 0.258 288 M C 2.253 178.492 176.300 -0.102 0.000 1.069 288 M CA 1.856 57.101 55.300 -0.091 0.000 1.102 288 M CB -0.494 32.036 32.600 -0.116 0.000 1.336 288 M HN 0.534 nan 8.290 nan 0.000 0.404 289 L N 0.194 121.350 121.223 -0.112 0.000 2.127 289 L HA -0.283 4.057 4.340 0.000 0.000 0.211 289 L C 2.494 179.325 176.870 -0.065 0.000 1.089 289 L CA 1.577 56.352 54.840 -0.109 0.000 0.757 289 L CB -0.266 41.738 42.059 -0.092 0.000 0.899 289 L HN 0.317 nan 8.230 nan 0.000 0.434 290 Q N 0.070 119.839 119.800 -0.050 0.000 2.167 290 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 290 Q C 1.673 177.658 176.000 -0.024 0.000 0.970 290 Q CA 2.034 57.818 55.803 -0.032 0.000 0.855 290 Q CB -0.190 28.531 28.738 -0.028 0.000 0.911 290 Q HN 0.546 nan 8.270 nan 0.000 0.438 291 D N 0.177 120.559 120.400 -0.030 0.000 2.084 291 D HA -0.164 4.476 4.640 0.000 0.000 0.194 291 D C 1.907 178.204 176.300 -0.005 0.000 0.990 291 D CA 1.443 55.433 54.000 -0.017 0.000 0.826 291 D CB -0.299 40.490 40.800 -0.018 0.000 0.971 291 D HN 0.360 nan 8.370 nan 0.000 0.453 292 I N 1.347 121.911 120.570 -0.010 0.000 2.300 292 I HA -0.322 3.848 4.170 0.000 0.000 0.252 292 I C 2.446 178.575 176.117 0.019 0.000 1.119 292 I CA 1.077 62.386 61.300 0.015 0.000 1.384 292 I CB -0.209 37.789 38.000 -0.004 0.000 1.062 292 I HN -0.056 nan 8.210 nan 0.000 0.426 293 A N 0.434 123.257 122.820 0.006 0.000 1.841 293 A HA -0.185 4.135 4.320 0.000 0.000 0.214 293 A C 2.377 179.969 177.584 0.015 0.000 1.195 293 A CA 2.347 54.391 52.037 0.012 0.000 0.611 293 A CB -1.108 17.894 19.000 0.004 0.000 0.835 293 A HN 0.366 nan 8.150 nan 0.000 0.443 294 T N 0.736 115.295 114.554 0.008 0.000 2.720 294 T HA -0.136 4.214 4.350 0.000 0.000 0.268 294 T C 1.827 176.535 174.700 0.013 0.000 1.037 294 T CA 1.296 63.401 62.100 0.009 0.000 1.144 294 T CB -0.356 68.514 68.868 0.003 0.000 0.864 294 T HN 0.296 nan 8.240 nan 0.000 0.444 295 L N 2.157 123.390 121.223 0.016 0.000 2.131 295 L HA -0.054 4.286 4.340 0.000 0.000 0.210 295 L C 1.850 178.734 176.870 0.023 0.000 1.092 295 L CA 2.171 57.023 54.840 0.020 0.000 0.759 295 L CB -1.236 40.840 42.059 0.028 0.000 0.903 295 L HN 0.460 nan 8.230 nan 0.000 0.435 296 T N -3.783 110.788 114.554 0.029 0.000 3.248 296 T HA 0.365 4.715 4.350 0.000 0.000 0.271 296 T C 1.033 175.755 174.700 0.036 0.000 1.005 296 T CA 0.129 62.248 62.100 0.033 0.000 0.902 296 T CB -0.318 68.576 68.868 0.044 0.000 1.102 296 T HN 0.519 nan 8.240 nan 0.000 0.548 297 G N 0.198 109.016 108.800 0.029 0.000 2.386 297 G HA2 0.140 4.100 3.960 0.000 0.000 0.295 297 G HA3 0.140 4.100 3.960 0.000 0.000 0.295 297 G C 0.377 175.303 174.900 0.042 0.000 0.979 297 G CA 0.001 45.120 45.100 0.032 0.000 1.193 297 G HN 1.141 nan 8.290 nan 0.000 0.508 298 G N -1.542 107.280 108.800 0.036 0.000 3.135 298 G HA2 0.924 4.884 3.960 0.000 0.000 0.278 298 G HA3 0.924 4.884 3.960 0.000 0.000 0.278 298 G C -0.667 174.247 174.900 0.023 0.000 1.302 298 G CA 0.298 45.421 45.100 0.038 0.000 0.880 298 G HN 0.840 nan 8.290 nan 0.000 0.574 299 T N -0.429 114.136 114.554 0.019 0.000 2.916 299 T HA 0.520 4.870 4.350 0.000 0.000 0.305 299 T C -0.612 174.091 174.700 0.005 0.000 1.119 299 T CA -0.368 61.738 62.100 0.009 0.000 1.008 299 T CB 1.961 70.832 68.868 0.006 0.000 1.129 299 T HN 0.424 nan 8.240 nan 0.000 0.480 300 V N 2.904 122.818 119.914 -0.000 0.000 2.583 300 V HA 0.382 4.502 4.120 0.000 0.000 0.287 300 V C 0.023 176.115 176.094 -0.003 0.000 1.051 300 V CA -0.434 61.864 62.300 -0.004 0.000 1.010 300 V CB 0.664 32.481 31.823 -0.010 0.000 0.988 300 V HN 0.725 nan 8.190 nan 0.000 0.478 301 I N 5.030 125.598 120.570 -0.003 0.000 2.412 301 I HA 0.331 4.501 4.170 0.000 0.000 0.279 301 I C 0.294 176.409 176.117 -0.002 0.000 1.063 301 I CA 0.060 61.358 61.300 -0.002 0.000 1.193 301 I CB 0.926 38.925 38.000 -0.001 0.000 1.370 301 I HN 0.725 nan 8.210 nan 0.000 0.479 302 S N 2.706 118.405 115.700 -0.003 0.000 2.621 302 S HA 0.455 4.925 4.470 0.000 0.000 0.302 302 S C 0.453 175.053 174.600 -0.001 0.000 1.093 302 S CA -0.830 57.369 58.200 -0.002 0.000 1.017 302 S CB 2.166 65.364 63.200 -0.004 0.000 1.077 302 S HN 0.554 nan 8.310 nan 0.000 0.517 303 E N 0.351 120.552 120.200 0.001 0.000 2.442 303 E HA -0.018 4.332 4.350 0.000 0.000 0.195 303 E C 1.077 177.678 176.600 0.001 0.000 1.030 303 E CA 0.327 56.728 56.400 0.002 0.000 0.869 303 E CB -0.025 29.677 29.700 0.004 0.000 0.857 303 E HN 0.747 nan 8.360 nan 0.000 0.505 304 E N 0.460 120.660 120.200 0.000 0.000 2.338 304 E HA -0.095 4.255 4.350 0.000 0.000 0.197 304 E C 1.419 178.018 176.600 -0.001 0.000 1.007 304 E CA 0.692 57.092 56.400 -0.000 0.000 0.849 304 E CB 0.147 29.846 29.700 -0.001 0.000 0.774 304 E HN 0.342 nan 8.360 nan 0.000 0.506 305 I N -0.927 119.642 120.570 -0.001 0.000 4.154 305 I HA 0.192 4.362 4.170 0.000 0.000 0.334 305 I C 0.881 176.997 176.117 -0.001 0.000 1.371 305 I CA 0.027 61.327 61.300 -0.002 0.000 1.110 305 I CB 0.989 38.988 38.000 -0.002 0.000 1.085 305 I HN 0.095 nan 8.210 nan 0.000 0.398 306 G N 2.155 110.954 108.800 -0.001 0.000 2.165 306 G HA2 -0.228 3.732 3.960 0.000 0.000 0.226 306 G HA3 -0.228 3.732 3.960 0.000 0.000 0.226 306 G C -0.012 174.887 174.900 -0.001 0.000 1.035 306 G CA -0.337 44.763 45.100 -0.000 0.000 0.744 306 G HN 0.240 nan 8.290 nan 0.000 0.501 307 M N 0.283 119.882 119.600 -0.001 0.000 2.300 307 M HA 0.522 5.002 4.480 0.000 0.000 0.348 307 M C 0.215 176.514 176.300 -0.001 0.000 1.151 307 M CA -0.216 55.083 55.300 -0.002 0.000 1.046 307 M CB 1.469 34.068 32.600 -0.002 0.000 1.647 307 M HN 0.220 nan 8.290 nan 0.000 0.451 308 E N 2.038 122.237 120.200 -0.002 0.000 2.227 308 E HA 0.328 4.678 4.350 0.000 0.000 0.268 308 E C 0.209 176.807 176.600 -0.003 0.000 0.907 308 E CA -0.561 55.838 56.400 -0.002 0.000 0.786 308 E CB 2.236 31.935 29.700 -0.002 0.000 1.191 308 E HN 0.683 nan 8.360 nan 0.000 0.411 309 L N 1.601 122.823 121.223 -0.002 0.000 2.456 309 L HA -0.143 4.197 4.340 0.000 0.000 0.224 309 L C 1.439 178.305 176.870 -0.008 0.000 1.148 309 L CA 0.906 55.744 54.840 -0.004 0.000 0.825 309 L CB -0.199 41.861 42.059 0.001 0.000 0.937 309 L HN 0.521 nan 8.230 nan 0.000 0.450 310 E N 0.351 120.547 120.200 -0.006 0.000 2.158 310 E HA -0.059 4.291 4.350 0.000 0.000 0.191 310 E C 0.641 177.233 176.600 -0.012 0.000 0.982 310 E CA 0.805 57.200 56.400 -0.009 0.000 0.823 310 E CB 0.125 29.822 29.700 -0.005 0.000 0.766 310 E HN 0.259 nan 8.360 nan 0.000 0.468 311 K N 0.720 121.113 120.400 -0.011 0.000 2.765 311 K HA 0.523 4.843 4.320 0.000 0.000 0.246 311 K C -0.926 175.665 176.600 -0.015 0.000 1.254 311 K CA -0.237 56.043 56.287 -0.012 0.000 1.219 311 K CB 0.966 33.461 32.500 -0.008 0.000 1.747 311 K HN -0.053 nan 8.250 nan 0.000 0.372 312 A N 1.124 123.931 122.820 -0.022 0.000 2.442 312 A HA 0.351 4.671 4.320 0.000 0.000 0.284 312 A C 0.228 177.786 177.584 -0.043 0.000 1.058 312 A CA -0.758 51.262 52.037 -0.027 0.000 0.738 312 A CB 0.730 19.715 19.000 -0.025 0.000 1.242 312 A HN 0.377 nan 8.150 nan 0.000 0.421 313 T N 0.071 114.598 114.554 -0.046 0.000 3.018 313 T HA 0.473 4.823 4.350 0.000 0.000 0.338 313 T C 1.075 175.712 174.700 -0.104 0.000 1.208 313 T CA -0.142 61.919 62.100 -0.065 0.000 0.963 313 T CB 0.030 68.870 68.868 -0.046 0.000 1.697 313 T HN 0.381 nan 8.240 nan 0.000 0.560 314 L N -0.007 121.137 121.223 -0.132 0.000 2.567 314 L HA 0.272 4.612 4.340 0.000 0.000 0.225 314 L C 2.751 179.565 176.870 -0.094 0.000 1.119 314 L CA 0.486 55.190 54.840 -0.226 0.000 0.871 314 L CB -0.351 41.524 42.059 -0.307 0.000 1.036 314 L HN 0.794 nan 8.230 nan 0.000 0.459 315 E N 0.512 120.690 120.200 -0.036 0.000 2.170 315 E HA -0.162 4.188 4.350 0.000 0.000 0.191 315 E C 0.941 177.552 176.600 0.018 0.000 0.981 315 E CA 0.717 57.124 56.400 0.011 0.000 0.830 315 E CB 0.341 30.046 29.700 0.007 0.000 0.775 315 E HN 0.391 nan 8.360 nan 0.000 0.470 316 D N 0.402 120.801 120.400 -0.002 0.000 2.363 316 D HA -0.004 4.636 4.640 0.000 0.000 0.226 316 D C -0.208 176.102 176.300 0.017 0.000 1.020 316 D CA 0.313 54.316 54.000 0.005 0.000 0.892 316 D CB 0.239 41.035 40.800 -0.006 0.000 0.900 316 D HN 0.116 nan 8.370 nan 0.000 0.531 317 L N 0.332 121.572 121.223 0.028 0.000 2.343 317 L HA 0.396 4.736 4.340 0.000 0.000 0.275 317 L C 1.287 178.239 176.870 0.136 0.000 1.056 317 L CA -0.521 54.361 54.840 0.071 0.000 0.804 317 L CB 1.414 43.500 42.059 0.044 0.000 1.203 317 L HN -0.176 nan 8.230 nan 0.000 0.440 318 G N 1.075 109.952 108.800 0.128 0.000 2.599 318 G HA2 0.485 4.445 3.960 0.000 0.000 0.264 318 G HA3 0.485 4.445 3.960 0.000 0.000 0.264 318 G C -1.000 173.987 174.900 0.145 0.000 1.200 318 G CA -0.168 44.999 45.100 0.112 0.000 0.896 318 G HN 0.601 nan 8.290 nan 0.000 0.536 319 Q N -0.993 118.850 119.800 0.072 0.000 2.403 319 Q HA 0.553 4.893 4.340 0.000 0.000 0.267 319 Q C -1.129 174.853 176.000 -0.031 0.000 0.991 319 Q CA -0.724 55.077 55.803 -0.003 0.000 0.906 319 Q CB 1.822 30.537 28.738 -0.038 0.000 1.422 319 Q HN 0.976 nan 8.270 nan 0.000 0.400 320 A N 2.556 125.339 122.820 -0.060 0.000 2.524 320 A HA 0.598 4.918 4.320 0.000 0.000 0.286 320 A C -0.825 176.717 177.584 -0.071 0.000 1.203 320 A CA -0.647 51.362 52.037 -0.047 0.000 0.736 320 A CB 1.593 20.580 19.000 -0.022 0.000 1.322 320 A HN 0.756 nan 8.150 nan 0.000 0.424 321 K N -0.511 119.858 120.400 -0.052 0.000 2.387 321 K HA 0.310 4.630 4.320 0.000 0.000 0.198 321 K C -0.016 176.558 176.600 -0.044 0.000 1.022 321 K CA 0.341 56.596 56.287 -0.053 0.000 1.128 321 K CB 0.348 32.823 32.500 -0.041 0.000 0.853 321 K HN 0.515 nan 8.250 nan 0.000 0.523 322 R N -0.029 120.447 120.500 -0.040 0.000 4.584 322 R HA 0.036 4.376 4.340 0.000 0.000 0.251 322 R C -2.182 174.101 176.300 -0.030 0.000 0.957 322 R CA -0.480 55.601 56.100 -0.031 0.000 1.195 322 R CB 0.723 31.008 30.300 -0.026 0.000 1.233 322 R HN -0.013 nan 8.270 nan 0.000 0.630 323 V N 0.203 120.101 119.914 -0.027 0.000 2.932 323 V HA 0.889 5.009 4.120 0.000 0.000 0.307 323 V C -1.237 174.838 176.094 -0.033 0.000 1.147 323 V CA -0.721 61.558 62.300 -0.035 0.000 0.951 323 V CB 2.208 34.013 31.823 -0.031 0.000 1.031 323 V HN 0.427 nan 8.190 nan 0.000 0.426 324 V N 4.480 124.363 119.914 -0.052 0.000 2.914 324 V HA 0.701 4.821 4.120 0.000 0.000 0.314 324 V C -0.381 175.675 176.094 -0.064 0.000 1.084 324 V CA -0.501 61.777 62.300 -0.038 0.000 0.963 324 V CB 1.983 33.785 31.823 -0.034 0.000 1.025 324 V HN 1.080 nan 8.190 nan 0.000 0.432 325 I N 0.178 120.734 120.570 -0.024 0.000 2.576 325 I HA 0.510 4.680 4.170 0.000 0.000 0.279 325 I C -0.132 175.976 176.117 -0.014 0.000 1.114 325 I CA -0.583 60.692 61.300 -0.042 0.000 1.076 325 I CB 1.198 39.192 38.000 -0.010 0.000 1.212 325 I HN 0.434 nan 8.210 nan 0.000 0.472 326 N N 4.620 123.263 118.700 -0.095 0.000 2.255 326 N HA 0.014 4.754 4.740 0.000 0.000 0.260 326 N C 1.042 176.280 175.510 -0.454 0.000 1.288 326 N CA -0.080 52.890 53.050 -0.132 0.000 0.894 326 N CB 0.761 39.184 38.487 -0.107 0.000 1.033 326 N HN 0.680 nan 8.380 nan 0.000 0.477 327 K N 0.360 120.481 120.400 -0.464 0.000 2.148 327 K HA -0.158 4.162 4.320 0.000 0.000 0.204 327 K C -0.316 175.909 176.600 -0.624 0.000 1.050 327 K CA 1.814 57.628 56.287 -0.789 0.000 0.942 327 K CB 0.003 32.352 32.500 -0.251 0.000 0.724 327 K HN 0.612 nan 8.250 nan 0.000 0.446 328 D N -1.118 119.085 120.400 -0.329 0.000 2.822 328 D HA 0.103 4.743 4.640 0.000 0.000 0.327 328 D C -1.135 175.088 176.300 -0.128 0.000 1.577 328 D CA -0.484 53.403 54.000 -0.189 0.000 0.785 328 D CB 0.864 41.601 40.800 -0.105 0.000 1.199 328 D HN -0.156 nan 8.370 nan 0.000 0.443 329 T N -0.122 114.334 114.554 -0.165 0.000 3.293 329 T HA 0.460 4.810 4.350 0.000 0.000 0.320 329 T C -0.421 174.150 174.700 -0.215 0.000 0.995 329 T CA -0.455 61.554 62.100 -0.152 0.000 1.041 329 T CB 1.934 70.733 68.868 -0.115 0.000 1.058 329 T HN -0.052 nan 8.240 nan 0.000 0.453 330 T N 1.746 116.086 114.554 -0.356 0.000 2.884 330 T HA 0.818 5.168 4.350 0.000 0.000 0.277 330 T C -0.047 174.339 174.700 -0.525 0.000 0.976 330 T CA -0.569 61.233 62.100 -0.498 0.000 0.956 330 T CB 1.469 69.815 68.868 -0.871 0.000 1.113 330 T HN 0.720 nan 8.240 nan 0.000 0.554 331 T N 0.859 115.145 114.554 -0.447 0.000 4.349 331 T HA 0.311 4.661 4.350 0.000 0.000 0.404 331 T C -1.591 173.007 174.700 -0.171 0.000 0.993 331 T CA -0.597 61.328 62.100 -0.292 0.000 1.025 331 T CB -0.202 68.556 68.868 -0.183 0.000 1.219 331 T HN 0.454 nan 8.240 nan 0.000 0.451 332 I N 5.780 126.280 120.570 -0.116 0.000 2.353 332 I HA 0.517 4.687 4.170 0.000 0.000 0.293 332 I C 0.009 176.109 176.117 -0.029 0.000 0.992 332 I CA -0.955 60.320 61.300 -0.040 0.000 1.268 332 I CB 1.433 39.447 38.000 0.023 0.000 1.387 332 I HN 0.565 nan 8.210 nan 0.000 0.478 333 I N 5.407 125.961 120.570 -0.026 0.000 2.389 333 I HA 0.217 4.387 4.170 0.000 0.000 0.288 333 I C -0.667 175.439 176.117 -0.018 0.000 0.999 333 I CA -0.528 60.758 61.300 -0.023 0.000 1.129 333 I CB 1.424 39.408 38.000 -0.028 0.000 1.288 333 I HN 0.611 nan 8.210 nan 0.000 0.444 334 D N 4.662 125.054 120.400 -0.013 0.000 4.867 334 D HA -0.116 4.524 4.640 0.000 0.000 0.238 334 D C -0.208 176.085 176.300 -0.011 0.000 1.114 334 D CA 1.187 55.180 54.000 -0.012 0.000 1.283 334 D CB 0.180 40.970 40.800 -0.016 0.000 0.739 334 D HN 0.814 nan 8.370 nan 0.000 0.371 335 G N 1.642 110.440 108.800 -0.004 0.000 2.454 335 G HA2 0.503 4.463 3.960 0.000 0.000 0.329 335 G HA3 0.503 4.463 3.960 0.000 0.000 0.329 335 G C 1.181 176.080 174.900 -0.001 0.000 1.177 335 G CA -0.422 44.678 45.100 -0.001 0.000 0.951 335 G HN 0.454 nan 8.290 nan 0.000 0.485 336 V N 1.227 121.141 119.914 -0.000 0.000 2.720 336 V HA -0.008 4.112 4.120 0.000 0.000 0.256 336 V C 2.173 178.271 176.094 0.008 0.000 1.082 336 V CA 1.115 63.416 62.300 0.002 0.000 1.101 336 V CB -1.263 30.565 31.823 0.008 0.000 0.693 336 V HN 0.846 nan 8.190 nan 0.000 0.479 337 G N 1.210 110.016 108.800 0.011 0.000 2.187 337 G HA2 -0.029 3.931 3.960 0.000 0.000 0.239 337 G HA3 -0.029 3.931 3.960 0.000 0.000 0.239 337 G C -0.070 174.835 174.900 0.007 0.000 1.200 337 G CA -0.092 45.015 45.100 0.011 0.000 0.888 337 G HN 0.581 nan 8.290 nan 0.000 0.482 338 E N 1.857 122.061 120.200 0.007 0.000 2.354 338 E HA 0.063 4.413 4.350 0.000 0.000 0.269 338 E C 0.679 177.282 176.600 0.004 0.000 1.036 338 E CA -0.225 56.178 56.400 0.005 0.000 0.876 338 E CB 1.330 31.034 29.700 0.006 0.000 1.009 338 E HN 0.654 nan 8.360 nan 0.000 0.416 339 E N 1.403 121.604 120.200 0.002 0.000 2.527 339 E HA -0.171 4.179 4.350 0.000 0.000 0.204 339 E C 0.975 177.576 176.600 0.001 0.000 1.132 339 E CA 0.233 56.634 56.400 0.001 0.000 0.905 339 E CB -0.012 29.689 29.700 0.000 0.000 0.875 339 E HN 0.501 nan 8.360 nan 0.000 0.548 340 A N 1.190 124.011 122.820 0.002 0.000 1.884 340 A HA 0.230 4.550 4.320 0.000 0.000 0.212 340 A C 2.290 179.875 177.584 0.001 0.000 1.265 340 A CA 0.742 52.780 52.037 0.001 0.000 0.626 340 A CB -0.406 18.595 19.000 0.002 0.000 0.943 340 A HN 0.279 nan 8.150 nan 0.000 0.466 341 A N -0.511 122.310 122.820 0.002 0.000 2.121 341 A HA 0.117 4.437 4.320 0.000 0.000 0.218 341 A C 1.945 179.530 177.584 0.001 0.000 1.154 341 A CA 1.147 53.185 52.037 0.002 0.000 0.679 341 A CB -0.556 18.446 19.000 0.003 0.000 0.795 341 A HN 0.493 nan 8.150 nan 0.000 0.458 342 I N -1.659 118.912 120.570 0.002 0.000 2.429 342 I HA -0.131 4.039 4.170 0.000 0.000 0.247 342 I C 2.534 178.651 176.117 -0.001 0.000 1.099 342 I CA 1.140 62.441 61.300 0.001 0.000 1.422 342 I CB -0.147 37.854 38.000 0.003 0.000 1.112 342 I HN 0.293 nan 8.210 nan 0.000 0.430 343 Q N 1.254 121.054 119.800 -0.001 0.000 2.364 343 Q HA -0.070 4.270 4.340 0.000 0.000 0.207 343 Q C 1.861 177.859 176.000 -0.003 0.000 0.970 343 Q CA 1.560 57.362 55.803 -0.002 0.000 0.888 343 Q CB -0.295 28.442 28.738 -0.002 0.000 0.951 343 Q HN 0.471 nan 8.270 nan 0.000 0.469 344 G N -0.586 108.213 108.800 -0.002 0.000 2.459 344 G HA2 -0.177 3.783 3.960 0.000 0.000 0.213 344 G HA3 -0.177 3.783 3.960 0.000 0.000 0.213 344 G C 1.520 176.417 174.900 -0.005 0.000 1.155 344 G CA 0.391 45.489 45.100 -0.003 0.000 0.811 344 G HN 0.277 nan 8.290 nan 0.000 0.534 345 R N 0.528 121.025 120.500 -0.005 0.000 2.115 345 R HA 0.037 4.377 4.340 0.000 0.000 0.230 345 R C 2.368 178.663 176.300 -0.008 0.000 1.111 345 R CA 1.222 57.318 56.100 -0.007 0.000 0.976 345 R CB -0.706 29.591 30.300 -0.006 0.000 0.870 345 R HN 0.205 nan 8.270 nan 0.000 0.445 346 V N 0.579 120.489 119.914 -0.007 0.000 2.358 346 V HA -0.138 3.982 4.120 0.000 0.000 0.246 346 V C 2.326 178.414 176.094 -0.009 0.000 1.047 346 V CA 1.784 64.079 62.300 -0.008 0.000 1.035 346 V CB -0.866 30.953 31.823 -0.006 0.000 0.658 346 V HN 0.508 nan 8.190 nan 0.000 0.452 347 A N -0.711 122.105 122.820 -0.007 0.000 1.933 347 A HA -0.269 4.051 4.320 0.000 0.000 0.218 347 A C 2.190 179.768 177.584 -0.009 0.000 1.175 347 A CA 1.808 53.841 52.037 -0.007 0.000 0.628 347 A CB -0.428 18.569 19.000 -0.006 0.000 0.814 347 A HN 0.624 nan 8.150 nan 0.000 0.444 348 Q N -0.642 119.152 119.800 -0.009 0.000 2.119 348 Q HA -0.042 4.298 4.340 0.000 0.000 0.201 348 Q C 1.910 177.902 176.000 -0.014 0.000 0.972 348 Q CA 1.437 57.234 55.803 -0.011 0.000 0.847 348 Q CB -0.235 28.496 28.738 -0.011 0.000 0.903 348 Q HN 0.755 nan 8.270 nan 0.000 0.433 349 I N -0.169 120.392 120.570 -0.015 0.000 2.617 349 I HA -0.150 4.020 4.170 0.000 0.000 0.256 349 I C 2.368 178.474 176.117 -0.018 0.000 1.167 349 I CA 0.490 61.779 61.300 -0.019 0.000 1.469 349 I CB -0.101 37.886 38.000 -0.021 0.000 1.098 349 I HN 0.070 nan 8.210 nan 0.000 0.436 350 R N 0.904 121.395 120.500 -0.015 0.000 2.152 350 R HA -0.151 4.189 4.340 0.000 0.000 0.232 350 R C 2.205 178.498 176.300 -0.012 0.000 1.117 350 R CA 1.324 57.416 56.100 -0.013 0.000 0.981 350 R CB 0.021 30.315 30.300 -0.010 0.000 0.870 350 R HN 0.401 nan 8.270 nan 0.000 0.451 351 Q N -0.854 118.939 119.800 -0.012 0.000 2.250 351 Q HA -0.053 4.287 4.340 0.000 0.000 0.200 351 Q C 1.759 177.752 176.000 -0.012 0.000 0.941 351 Q CA 0.514 56.310 55.803 -0.011 0.000 0.872 351 Q CB 0.392 29.125 28.738 -0.009 0.000 0.965 351 Q HN 0.373 nan 8.270 nan 0.000 0.480 352 Q N 0.398 120.189 119.800 -0.015 0.000 2.248 352 Q HA -0.170 4.170 4.340 0.000 0.000 0.208 352 Q C 1.922 177.911 176.000 -0.018 0.000 0.984 352 Q CA 1.121 56.914 55.803 -0.018 0.000 0.875 352 Q CB -0.161 28.563 28.738 -0.024 0.000 0.910 352 Q HN 0.507 nan 8.270 nan 0.000 0.433 353 I N 0.739 121.299 120.570 -0.018 0.000 2.617 353 I HA -0.179 3.991 4.170 0.000 0.000 0.256 353 I C 2.004 178.115 176.117 -0.011 0.000 1.167 353 I CA 0.639 61.929 61.300 -0.017 0.000 1.469 353 I CB -0.202 37.788 38.000 -0.018 0.000 1.098 353 I HN 0.077 nan 8.210 nan 0.000 0.436 354 E N 1.471 121.666 120.200 -0.010 0.000 2.072 354 E HA -0.157 4.193 4.350 0.000 0.000 0.190 354 E C 1.178 177.775 176.600 -0.005 0.000 0.982 354 E CA 1.027 57.423 56.400 -0.007 0.000 0.803 354 E CB -0.295 29.401 29.700 -0.006 0.000 0.755 354 E HN 0.583 nan 8.360 nan 0.000 0.453 355 E N 1.125 121.321 120.200 -0.006 0.000 2.301 355 E HA 0.253 4.603 4.350 0.000 0.000 0.195 355 E C -0.237 176.361 176.600 -0.003 0.000 1.171 355 E CA -0.308 56.089 56.400 -0.004 0.000 1.142 355 E CB 0.241 29.937 29.700 -0.005 0.000 1.218 355 E HN 0.077 nan 8.360 nan 0.000 0.448 356 A N 1.246 124.064 122.820 -0.003 0.000 2.454 356 A HA 0.147 4.467 4.320 0.000 0.000 0.260 356 A C 1.257 178.843 177.584 0.005 0.000 1.106 356 A CA -0.186 51.850 52.037 -0.001 0.000 0.780 356 A CB 0.145 19.143 19.000 -0.003 0.000 1.044 356 A HN 0.280 nan 8.150 nan 0.000 0.498 357 T N -0.902 113.657 114.554 0.010 0.000 3.001 357 T HA 0.363 4.713 4.350 0.000 0.000 0.251 357 T C 0.649 175.362 174.700 0.021 0.000 1.040 357 T CA 0.589 62.697 62.100 0.013 0.000 0.985 357 T CB -0.051 68.824 68.868 0.012 0.000 1.011 357 T HN 0.790 nan 8.240 nan 0.000 0.509 358 S N -0.775 114.942 115.700 0.030 0.000 2.618 358 S HA 0.415 4.885 4.470 0.000 0.000 0.277 358 S C -0.402 174.230 174.600 0.053 0.000 1.138 358 S CA -0.579 57.649 58.200 0.046 0.000 0.844 358 S CB 1.694 64.934 63.200 0.067 0.000 1.127 358 S HN 0.059 nan 8.310 nan 0.000 0.474 359 D N 0.582 121.023 120.400 0.068 0.000 2.183 359 D HA -0.023 4.617 4.640 0.000 0.000 0.203 359 D C 1.204 177.562 176.300 0.097 0.000 0.969 359 D CA 1.110 55.150 54.000 0.066 0.000 0.842 359 D CB -0.125 40.714 40.800 0.065 0.000 0.957 359 D HN 0.578 nan 8.370 nan 0.000 0.484 360 Y N 2.171 122.469 120.300 -0.005 0.000 2.092 360 Y HA -0.193 4.357 4.550 0.000 0.000 0.282 360 Y C 1.678 177.570 175.900 -0.013 0.000 1.126 360 Y CA 1.755 59.851 58.100 -0.007 0.000 1.111 360 Y CB -0.473 37.983 38.460 -0.006 0.000 0.987 360 Y HN -0.166 nan 8.280 nan 0.000 0.489 361 D N -0.433 120.015 120.400 0.080 0.000 2.220 361 D HA -0.242 4.398 4.640 0.000 0.000 0.198 361 D C 2.228 178.481 176.300 -0.077 0.000 1.001 361 D CA 1.716 55.703 54.000 -0.022 0.000 0.875 361 D CB -0.202 40.615 40.800 0.028 0.000 0.921 361 D HN 0.294 nan 8.370 nan 0.000 0.454 362 R N 0.384 120.853 120.500 -0.050 0.000 2.056 362 R HA -0.118 4.222 4.340 0.000 0.000 0.227 362 R C 1.962 178.210 176.300 -0.088 0.000 1.149 362 R CA 1.086 57.155 56.100 -0.051 0.000 0.937 362 R CB 0.077 30.364 30.300 -0.021 0.000 0.835 362 R HN 0.061 nan 8.270 nan 0.000 0.430 363 E N 1.173 121.309 120.200 -0.107 0.000 2.045 363 E HA -0.251 4.099 4.350 0.000 0.000 0.212 363 E C 1.668 178.170 176.600 -0.163 0.000 1.039 363 E CA 1.411 57.735 56.400 -0.127 0.000 0.860 363 E CB -0.333 29.277 29.700 -0.150 0.000 0.776 363 E HN 0.212 nan 8.360 nan 0.000 0.467 364 K N 0.605 120.840 120.400 -0.275 0.000 2.589 364 K HA -0.064 4.256 4.320 0.000 0.000 0.195 364 K C 2.044 178.554 176.600 -0.150 0.000 1.040 364 K CA 0.485 56.625 56.287 -0.244 0.000 0.950 364 K CB -0.260 32.023 32.500 -0.363 0.000 0.781 364 K HN 0.268 nan 8.250 nan 0.000 0.486 365 L N -0.625 120.528 121.223 -0.118 0.000 2.425 365 L HA 0.022 4.362 4.340 0.000 0.000 0.215 365 L C 2.063 178.899 176.870 -0.058 0.000 1.065 365 L CA 0.258 55.051 54.840 -0.078 0.000 0.842 365 L CB -0.077 41.943 42.059 -0.065 0.000 1.033 365 L HN 0.098 nan 8.230 nan 0.000 0.474 366 Q N 0.097 119.863 119.800 -0.057 0.000 2.297 366 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 366 Q C 1.685 177.663 176.000 -0.036 0.000 0.962 366 Q CA 0.990 56.769 55.803 -0.040 0.000 0.879 366 Q CB 0.210 28.927 28.738 -0.036 0.000 0.947 366 Q HN 0.502 nan 8.270 nan 0.000 0.462 367 E N 0.509 120.681 120.200 -0.047 0.000 2.051 367 E HA -0.074 4.276 4.350 0.000 0.000 0.189 367 E C 2.021 178.605 176.600 -0.027 0.000 0.979 367 E CA 0.286 56.664 56.400 -0.036 0.000 0.803 367 E CB 0.108 29.780 29.700 -0.046 0.000 0.761 367 E HN 0.179 nan 8.360 nan 0.000 0.451 368 R N 0.713 121.190 120.500 -0.039 0.000 2.105 368 R HA -0.150 4.190 4.340 0.000 0.000 0.239 368 R C 2.568 178.857 176.300 -0.019 0.000 1.135 368 R CA 1.645 57.727 56.100 -0.030 0.000 0.967 368 R CB -0.385 29.889 30.300 -0.044 0.000 0.861 368 R HN 0.206 nan 8.270 nan 0.000 0.442 369 V N -2.445 117.456 119.914 -0.021 0.000 2.283 369 V HA -0.028 4.092 4.120 0.000 0.000 0.243 369 V C 2.356 178.445 176.094 -0.009 0.000 1.039 369 V CA 1.458 63.749 62.300 -0.015 0.000 1.016 369 V CB -1.244 30.569 31.823 -0.017 0.000 0.650 369 V HN 0.213 nan 8.190 nan 0.000 0.449 370 A N 1.049 123.863 122.820 -0.010 0.000 1.869 370 A HA -0.322 3.998 4.320 0.000 0.000 0.218 370 A C 2.322 179.906 177.584 -0.000 0.000 1.203 370 A CA 2.923 54.957 52.037 -0.006 0.000 0.638 370 A CB -0.924 18.071 19.000 -0.008 0.000 0.831 370 A HN 0.626 nan 8.150 nan 0.000 0.450 371 K N -1.371 119.032 120.400 0.005 0.000 2.160 371 K HA -0.126 4.194 4.320 0.000 0.000 0.206 371 K C 1.724 178.335 176.600 0.017 0.000 1.047 371 K CA 1.436 57.733 56.287 0.016 0.000 0.930 371 K CB -0.247 32.273 32.500 0.034 0.000 0.720 371 K HN 0.405 nan 8.250 nan 0.000 0.450 372 L N -0.754 120.476 121.223 0.011 0.000 2.477 372 L HA 0.114 4.454 4.340 0.000 0.000 0.220 372 L C 1.693 178.566 176.870 0.004 0.000 1.106 372 L CA 0.771 55.617 54.840 0.010 0.000 0.851 372 L CB 0.253 42.316 42.059 0.005 0.000 0.994 372 L HN 0.029 nan 8.230 nan 0.000 0.462 373 A N -1.326 121.495 122.820 0.001 0.000 1.963 373 A HA 0.348 4.668 4.320 0.000 0.000 0.207 373 A C 1.821 179.404 177.584 -0.002 0.000 1.243 373 A CA 0.510 52.546 52.037 -0.002 0.000 0.728 373 A CB -0.670 18.328 19.000 -0.004 0.000 0.895 373 A HN 0.317 nan 8.150 nan 0.000 0.467 374 G N 0.261 109.060 108.800 -0.003 0.000 3.474 374 G HA2 0.418 4.378 3.960 0.000 0.000 0.269 374 G HA3 0.418 4.378 3.960 0.000 0.000 0.269 374 G C 1.049 175.946 174.900 -0.005 0.000 1.339 374 G CA 0.624 45.721 45.100 -0.004 0.000 1.258 374 G HN 0.793 nan 8.290 nan 0.000 0.560 375 G N 0.191 108.990 108.800 -0.003 0.000 2.998 375 G HA2 -0.226 3.734 3.960 0.000 0.000 0.855 375 G HA3 -0.226 3.734 3.960 0.000 0.000 0.855 375 G C 0.139 175.035 174.900 -0.008 0.000 1.032 375 G CA 1.082 46.180 45.100 -0.003 0.000 0.804 375 G HN 0.957 nan 8.290 nan 0.000 0.970 376 V N -0.609 119.298 119.914 -0.011 0.000 2.971 376 V HA 0.704 4.824 4.120 0.000 0.000 0.309 376 V C 0.377 176.460 176.094 -0.018 0.000 1.130 376 V CA -0.389 61.900 62.300 -0.018 0.000 0.964 376 V CB 1.679 33.489 31.823 -0.022 0.000 1.029 376 V HN 1.426 nan 8.190 nan 0.000 0.427 377 A N 2.677 125.484 122.820 -0.021 0.000 2.309 377 A HA 0.802 5.122 4.320 0.000 0.000 0.298 377 A C -0.692 176.879 177.584 -0.020 0.000 1.165 377 A CA -0.432 51.594 52.037 -0.020 0.000 0.821 377 A CB 1.068 20.055 19.000 -0.021 0.000 1.102 377 A HN 0.799 nan 8.150 nan 0.000 0.500 378 V N 4.551 124.455 119.914 -0.017 0.000 2.443 378 V HA 0.316 4.436 4.120 0.000 0.000 0.293 378 V C -0.559 175.528 176.094 -0.012 0.000 1.021 378 V CA -0.118 62.173 62.300 -0.015 0.000 0.848 378 V CB 1.307 33.121 31.823 -0.014 0.000 0.998 378 V HN 0.753 nan 8.190 nan 0.000 0.424 379 I N 5.534 126.097 120.570 -0.012 0.000 2.328 379 I HA 0.409 4.579 4.170 0.000 0.000 0.287 379 I C 0.114 176.228 176.117 -0.006 0.000 1.012 379 I CA -0.541 60.754 61.300 -0.008 0.000 1.195 379 I CB 1.184 39.180 38.000 -0.008 0.000 1.350 379 I HN 0.442 nan 8.210 nan 0.000 0.464 380 K N 6.170 126.567 120.400 -0.005 0.000 2.250 380 K HA 0.367 4.687 4.320 0.000 0.000 0.280 380 K C -0.277 176.322 176.600 -0.002 0.000 1.098 380 K CA -0.571 55.713 56.287 -0.004 0.000 0.916 380 K CB 1.230 33.728 32.500 -0.004 0.000 1.209 380 K HN 0.343 nan 8.250 nan 0.000 0.461 381 V N 2.442 122.355 119.914 -0.000 0.000 3.083 381 V HA -0.133 3.987 4.120 0.000 0.000 0.303 381 V C 1.665 177.760 176.094 0.001 0.000 1.151 381 V CA 0.496 62.797 62.300 0.001 0.000 1.275 381 V CB 0.116 31.941 31.823 0.003 0.000 0.950 381 V HN 0.953 nan 8.190 nan 0.000 0.506 382 G N 1.240 110.040 108.800 0.001 0.000 2.393 382 G HA2 0.514 4.474 3.960 0.000 0.000 0.268 382 G HA3 0.514 4.474 3.960 0.000 0.000 0.268 382 G C 0.124 175.025 174.900 0.001 0.000 1.472 382 G CA 0.484 45.584 45.100 0.001 0.000 1.059 382 G HN 1.387 nan 8.290 nan 0.000 0.555 383 A N -3.558 119.263 122.820 0.001 0.000 5.519 383 A HA 0.832 5.152 4.320 0.000 0.000 0.158 383 A C 0.061 177.647 177.584 0.002 0.000 0.860 383 A CA 0.787 52.825 52.037 0.002 0.000 1.134 383 A CB -0.330 18.671 19.000 0.001 0.000 2.248 383 A HN 2.572 nan 8.150 nan 0.000 1.056 384 A N -0.609 122.212 122.820 0.002 0.000 3.033 384 A HA 0.577 4.897 4.320 0.000 0.000 0.262 384 A C 1.027 178.612 177.584 0.002 0.000 1.301 384 A CA 1.182 53.220 52.037 0.001 0.000 0.727 384 A CB -2.619 16.382 19.000 0.001 0.000 1.094 384 A HN 3.571 nan 8.150 nan 0.000 0.374 385 T N -2.169 112.386 114.554 0.002 0.000 0.541 385 T HA -0.088 4.262 4.350 0.000 0.000 0.774 385 T C 0.380 175.081 174.700 0.003 0.000 0.992 385 T CA 1.508 63.609 62.100 0.002 0.000 4.077 385 T CB -1.042 67.827 68.868 0.002 0.000 2.303 385 T HN 1.896 nan 8.240 nan 0.000 0.398 386 E N 0.986 121.188 120.200 0.003 0.000 2.085 386 E HA -0.125 4.225 4.350 0.000 0.000 0.194 386 E C 2.188 178.790 176.600 0.004 0.000 0.994 386 E CA 2.062 58.464 56.400 0.004 0.000 0.801 386 E CB -0.180 29.523 29.700 0.004 0.000 0.743 386 E HN 0.647 nan 8.360 nan 0.000 0.453 387 V N 1.369 121.285 119.914 0.004 0.000 2.332 387 V HA -0.273 3.847 4.120 0.000 0.000 0.248 387 V C 2.073 178.170 176.094 0.004 0.000 1.055 387 V CA 2.254 64.556 62.300 0.004 0.000 1.038 387 V CB -0.530 31.295 31.823 0.004 0.000 0.651 387 V HN 0.309 nan 8.190 nan 0.000 0.450 388 E N -0.792 119.410 120.200 0.004 0.000 2.158 388 E HA -0.140 4.210 4.350 0.000 0.000 0.191 388 E C 2.196 178.799 176.600 0.004 0.000 0.982 388 E CA 0.890 57.292 56.400 0.004 0.000 0.823 388 E CB -0.200 29.502 29.700 0.003 0.000 0.766 388 E HN 0.416 nan 8.360 nan 0.000 0.468 389 M N 1.262 120.865 119.600 0.004 0.000 2.086 389 M HA -0.145 4.335 4.480 0.000 0.000 0.261 389 M C 1.575 177.879 176.300 0.006 0.000 1.067 389 M CA 1.518 56.820 55.300 0.004 0.000 1.116 389 M CB -0.151 32.451 32.600 0.004 0.000 1.348 389 M HN -0.147 nan 8.290 nan 0.000 0.407 390 K N 0.123 120.526 120.400 0.006 0.000 2.439 390 K HA -0.110 4.210 4.320 0.000 0.000 0.197 390 K C 1.749 178.354 176.600 0.008 0.000 1.041 390 K CA 0.769 57.060 56.287 0.008 0.000 0.970 390 K CB -0.205 32.300 32.500 0.008 0.000 0.773 390 K HN 0.594 nan 8.250 nan 0.000 0.479 391 E N 0.974 121.178 120.200 0.007 0.000 2.102 391 E HA -0.078 4.272 4.350 0.000 0.000 0.190 391 E C 1.885 178.489 176.600 0.008 0.000 0.971 391 E CA 0.486 56.890 56.400 0.007 0.000 0.821 391 E CB 0.275 29.979 29.700 0.006 0.000 0.777 391 E HN 0.081 nan 8.360 nan 0.000 0.460 392 K N 1.160 121.564 120.400 0.007 0.000 2.057 392 K HA -0.157 4.163 4.320 0.000 0.000 0.206 392 K C 2.243 178.849 176.600 0.010 0.000 1.050 392 K CA 1.196 57.488 56.287 0.008 0.000 0.935 392 K CB 0.006 32.510 32.500 0.006 0.000 0.715 392 K HN -0.088 nan 8.250 nan 0.000 0.439 393 K N 0.338 120.744 120.400 0.010 0.000 2.059 393 K HA -0.226 4.094 4.320 0.000 0.000 0.212 393 K C 1.893 178.504 176.600 0.017 0.000 1.050 393 K CA 1.611 57.906 56.287 0.012 0.000 0.927 393 K CB -0.213 32.294 32.500 0.011 0.000 0.714 393 K HN 0.217 nan 8.250 nan 0.000 0.447 394 A N 1.417 124.246 122.820 0.016 0.000 1.845 394 A HA -0.153 4.167 4.320 0.000 0.000 0.215 394 A C 2.055 179.651 177.584 0.021 0.000 1.195 394 A CA 1.609 53.657 52.037 0.019 0.000 0.616 394 A CB -0.572 18.436 19.000 0.013 0.000 0.832 394 A HN 0.374 nan 8.150 nan 0.000 0.443 395 R N -0.612 119.898 120.500 0.016 0.000 2.211 395 R HA -0.103 4.237 4.340 0.000 0.000 0.240 395 R C 1.909 178.223 176.300 0.023 0.000 1.144 395 R CA 1.292 57.402 56.100 0.017 0.000 0.992 395 R CB -0.563 29.744 30.300 0.012 0.000 0.869 395 R HN 0.424 nan 8.270 nan 0.000 0.462 396 V N 0.985 120.913 119.914 0.023 0.000 2.283 396 V HA -0.201 3.919 4.120 0.000 0.000 0.243 396 V C 1.983 178.101 176.094 0.040 0.000 1.039 396 V CA 1.709 64.023 62.300 0.024 0.000 1.016 396 V CB -0.337 31.496 31.823 0.017 0.000 0.650 396 V HN 0.314 nan 8.190 nan 0.000 0.449 397 E N 0.460 120.691 120.200 0.052 0.000 2.049 397 E HA -0.262 4.088 4.350 0.000 0.000 0.198 397 E C 2.304 178.992 176.600 0.146 0.000 1.007 397 E CA 1.554 58.012 56.400 0.096 0.000 0.809 397 E CB -0.422 29.337 29.700 0.098 0.000 0.749 397 E HN 0.582 nan 8.360 nan 0.000 0.450 398 A N 1.387 124.261 122.820 0.089 0.000 1.908 398 A HA -0.185 4.135 4.320 0.000 0.000 0.218 398 A C 2.357 179.995 177.584 0.089 0.000 1.181 398 A CA 1.954 54.033 52.037 0.070 0.000 0.627 398 A CB -0.774 18.241 19.000 0.025 0.000 0.818 398 A HN 0.315 nan 8.150 nan 0.000 0.445 399 A N -0.261 122.597 122.820 0.063 0.000 1.832 399 A HA 0.007 4.327 4.320 0.000 0.000 0.214 399 A C 2.129 179.747 177.584 0.056 0.000 1.200 399 A CA 1.752 53.818 52.037 0.049 0.000 0.610 399 A CB -0.945 18.073 19.000 0.030 0.000 0.842 399 A HN 0.959 nan 8.150 nan 0.000 0.444 400 L N -0.296 120.954 121.223 0.044 0.000 2.010 400 L HA -0.296 4.044 4.340 0.000 0.000 0.219 400 L C 2.271 179.148 176.870 0.012 0.000 1.077 400 L CA 2.831 57.677 54.840 0.011 0.000 0.773 400 L CB -1.215 40.835 42.059 -0.016 0.000 0.892 400 L HN 0.577 nan 8.230 nan 0.000 0.436 401 H N -0.154 118.916 119.070 -0.000 0.000 2.355 401 H HA -0.209 4.347 4.556 0.000 0.000 0.293 401 H C 2.082 177.412 175.328 0.003 0.000 1.060 401 H CA 2.258 58.307 56.048 0.001 0.000 1.167 401 H CB -0.645 29.118 29.762 0.002 0.000 1.376 401 H HN 0.532 nan 8.280 nan 0.000 0.549 402 A N 0.029 122.953 122.820 0.174 0.000 1.997 402 A HA -0.233 4.087 4.320 0.000 0.000 0.221 402 A C 2.684 180.303 177.584 0.057 0.000 1.172 402 A CA 2.396 54.489 52.037 0.093 0.000 0.645 402 A CB -1.055 17.982 19.000 0.062 0.000 0.813 402 A HN 0.529 nan 8.150 nan 0.000 0.454 403 T N -0.912 113.669 114.554 0.044 0.000 2.643 403 T HA -0.149 4.201 4.350 0.000 0.000 0.264 403 T C 2.168 176.876 174.700 0.013 0.000 1.045 403 T CA 1.353 63.466 62.100 0.021 0.000 1.155 403 T CB -0.273 68.602 68.868 0.011 0.000 0.863 403 T HN 0.367 nan 8.240 nan 0.000 0.420 404 R N 1.253 121.753 120.500 -0.000 0.000 2.134 404 R HA -0.110 4.230 4.340 0.000 0.000 0.248 404 R C 2.398 178.702 176.300 0.006 0.000 1.143 404 R CA 1.950 58.042 56.100 -0.013 0.000 0.957 404 R CB -1.204 29.068 30.300 -0.047 0.000 0.867 404 R HN 0.453 nan 8.270 nan 0.000 0.441 405 A N -0.531 122.305 122.820 0.026 0.000 2.216 405 A HA 0.087 4.407 4.320 0.000 0.000 0.214 405 A C 2.052 179.650 177.584 0.023 0.000 1.160 405 A CA 1.458 53.514 52.037 0.032 0.000 0.725 405 A CB -0.238 18.795 19.000 0.054 0.000 0.784 405 A HN 0.421 nan 8.150 nan 0.000 0.472 406 A N -0.897 121.935 122.820 0.019 0.000 1.942 406 A HA 0.224 4.544 4.320 0.000 0.000 0.209 406 A C 2.016 179.606 177.584 0.010 0.000 1.214 406 A CA 1.012 53.058 52.037 0.015 0.000 0.686 406 A CB -0.602 18.407 19.000 0.015 0.000 0.871 406 A HN 0.282 nan 8.150 nan 0.000 0.460 407 V N 0.725 120.643 119.914 0.007 0.000 2.324 407 V HA -0.323 3.797 4.120 0.000 0.000 0.250 407 V C 2.392 178.488 176.094 0.003 0.000 1.060 407 V CA 2.501 64.803 62.300 0.003 0.000 1.042 407 V CB -0.879 30.943 31.823 -0.001 0.000 0.650 407 V HN 0.615 nan 8.190 nan 0.000 0.450 408 E N -0.052 120.150 120.200 0.004 0.000 2.006 408 E HA -0.163 4.187 4.350 0.000 0.000 0.192 408 E C 1.573 178.176 176.600 0.005 0.000 0.993 408 E CA 1.401 57.804 56.400 0.004 0.000 0.808 408 E CB -0.048 29.656 29.700 0.006 0.000 0.764 408 E HN 0.658 nan 8.360 nan 0.000 0.449 409 E N -0.286 119.917 120.200 0.006 0.000 2.651 409 E HA 0.250 4.600 4.350 0.000 0.000 0.208 409 E C 0.125 176.728 176.600 0.006 0.000 0.997 409 E CA 0.013 56.416 56.400 0.005 0.000 1.020 409 E CB 1.287 30.988 29.700 0.002 0.000 1.052 409 E HN 0.324 nan 8.360 nan 0.000 0.465 410 G N 1.061 109.866 108.800 0.008 0.000 2.593 410 G HA2 -0.245 3.715 3.960 0.000 0.000 0.237 410 G HA3 -0.245 3.715 3.960 0.000 0.000 0.237 410 G C -0.264 174.643 174.900 0.011 0.000 1.312 410 G CA -0.334 44.771 45.100 0.009 0.000 0.896 410 G HN 0.628 nan 8.290 nan 0.000 0.574 411 V N -2.989 116.932 119.914 0.012 0.000 3.114 411 V HA 0.978 5.098 4.120 0.000 0.000 0.308 411 V C -0.139 175.964 176.094 0.015 0.000 1.168 411 V CA 0.385 62.694 62.300 0.014 0.000 1.015 411 V CB 1.486 33.318 31.823 0.015 0.000 1.050 411 V HN 2.634 nan 8.190 nan 0.000 0.433 412 V N 2.034 121.958 119.914 0.017 0.000 3.178 412 V HA 0.896 5.016 4.120 0.000 0.000 0.302 412 V C 0.455 176.562 176.094 0.021 0.000 1.262 412 V CA -0.253 62.058 62.300 0.019 0.000 1.030 412 V CB 1.856 33.690 31.823 0.017 0.000 1.074 412 V HN 2.659 nan 8.190 nan 0.000 0.438 413 A N 3.613 126.449 122.820 0.026 0.000 2.500 413 A HA 0.416 4.736 4.320 0.000 0.000 0.281 413 A C 1.048 178.647 177.584 0.025 0.000 1.092 413 A CA 1.078 53.132 52.037 0.029 0.000 0.909 413 A CB -1.338 17.685 19.000 0.039 0.000 0.958 413 A HN 2.090 nan 8.150 nan 0.000 0.535 414 G N 1.362 110.174 108.800 0.021 0.000 2.486 414 G HA2 0.518 4.478 3.960 0.000 0.000 0.272 414 G HA3 0.518 4.478 3.960 0.000 0.000 0.272 414 G C 1.235 176.146 174.900 0.019 0.000 1.426 414 G CA -0.059 45.052 45.100 0.018 0.000 1.058 414 G HN 2.221 nan 8.290 nan 0.000 0.531 415 G N -2.279 106.531 108.800 0.017 0.000 2.249 415 G HA2 0.229 4.189 3.960 0.000 0.000 0.273 415 G HA3 0.229 4.189 3.960 0.000 0.000 0.273 415 G C 1.500 176.410 174.900 0.017 0.000 1.036 415 G CA 1.119 46.231 45.100 0.020 0.000 0.824 415 G HN 2.496 nan 8.290 nan 0.000 0.504 416 G N -2.769 106.037 108.800 0.011 0.000 2.253 416 G HA2 -0.191 3.769 3.960 0.000 0.000 0.251 416 G HA3 -0.191 3.769 3.960 0.000 0.000 0.251 416 G C 1.985 176.889 174.900 0.007 0.000 0.998 416 G CA 1.891 46.993 45.100 0.004 0.000 0.621 416 G HN 2.065 nan 8.290 nan 0.000 0.524 417 V N -0.861 119.062 119.914 0.015 0.000 2.270 417 V HA 0.271 4.391 4.120 0.000 0.000 0.245 417 V C 3.105 179.213 176.094 0.023 0.000 1.043 417 V CA 2.388 64.700 62.300 0.020 0.000 1.014 417 V CB -1.789 30.050 31.823 0.027 0.000 0.645 417 V HN 1.736 nan 8.190 nan 0.000 0.447 418 A N 1.577 124.410 122.820 0.022 0.000 1.899 418 A HA -0.304 4.016 4.320 0.000 0.000 0.230 418 A C 2.281 179.876 177.584 0.018 0.000 1.593 418 A CA 3.240 55.290 52.037 0.021 0.000 0.728 418 A CB -1.163 17.847 19.000 0.017 0.000 0.848 418 A HN 0.636 nan 8.150 nan 0.000 0.490 419 L N -0.968 120.263 121.223 0.013 0.000 2.005 419 L HA -0.166 4.174 4.340 0.000 0.000 0.207 419 L C 2.619 179.496 176.870 0.012 0.000 1.072 419 L CA 1.671 56.518 54.840 0.010 0.000 0.744 419 L CB -0.789 41.275 42.059 0.007 0.000 0.895 419 L HN 0.447 nan 8.230 nan 0.000 0.433 420 I N -0.314 120.264 120.570 0.012 0.000 2.315 420 I HA -0.295 3.875 4.170 0.000 0.000 0.251 420 I C 2.812 178.942 176.117 0.022 0.000 1.125 420 I CA 0.889 62.197 61.300 0.014 0.000 1.392 420 I CB -0.439 37.569 38.000 0.013 0.000 1.065 420 I HN 0.280 nan 8.210 nan 0.000 0.424 421 R N 1.487 122.003 120.500 0.027 0.000 2.082 421 R HA -0.106 4.234 4.340 0.000 0.000 0.228 421 R C 2.185 178.500 176.300 0.026 0.000 1.140 421 R CA 1.823 57.943 56.100 0.034 0.000 0.920 421 R CB -1.109 29.215 30.300 0.040 0.000 0.828 421 R HN 0.089 nan 8.270 nan 0.000 0.430 422 V N 1.277 121.203 119.914 0.020 0.000 2.220 422 V HA -0.349 3.771 4.120 0.000 0.000 0.250 422 V C 2.253 178.354 176.094 0.012 0.000 1.053 422 V CA 2.652 64.960 62.300 0.014 0.000 1.019 422 V CB -1.269 30.560 31.823 0.010 0.000 0.646 422 V HN 0.629 nan 8.190 nan 0.000 0.455 423 A N 0.232 123.058 122.820 0.011 0.000 2.255 423 A HA -0.204 4.116 4.320 0.000 0.000 0.218 423 A C 2.314 179.905 177.584 0.011 0.000 1.175 423 A CA 2.160 54.202 52.037 0.009 0.000 0.682 423 A CB -0.648 18.356 19.000 0.007 0.000 0.784 423 A HN 0.816 nan 8.150 nan 0.000 0.482 424 S N -1.101 114.608 115.700 0.015 0.000 2.478 424 S HA 0.050 4.520 4.470 0.000 0.000 0.222 424 S C 1.674 176.283 174.600 0.014 0.000 1.008 424 S CA 0.699 58.909 58.200 0.016 0.000 0.928 424 S CB -0.016 63.199 63.200 0.024 0.000 0.781 424 S HN 0.625 nan 8.310 nan 0.000 0.518 425 K N 1.455 121.863 120.400 0.013 0.000 2.021 425 K HA 0.262 4.582 4.320 0.000 0.000 0.205 425 K C 1.297 177.901 176.600 0.008 0.000 1.047 425 K CA 0.790 57.084 56.287 0.011 0.000 0.943 425 K CB -0.461 32.046 32.500 0.011 0.000 0.725 425 K HN 0.299 nan 8.250 nan 0.000 0.439 426 L N 1.741 122.968 121.223 0.007 0.000 2.955 426 L HA -0.059 4.281 4.340 0.000 0.000 0.260 426 L C 1.761 178.634 176.870 0.004 0.000 1.146 426 L CA -0.301 54.542 54.840 0.005 0.000 0.905 426 L CB -0.780 41.282 42.059 0.004 0.000 1.136 426 L HN 0.207 nan 8.230 nan 0.000 0.438 427 A N -0.628 122.195 122.820 0.005 0.000 2.172 427 A HA -0.144 4.176 4.320 0.000 0.000 0.216 427 A C 1.764 179.349 177.584 0.003 0.000 1.154 427 A CA 1.214 53.254 52.037 0.004 0.000 0.701 427 A CB -0.158 18.846 19.000 0.005 0.000 0.789 427 A HN 0.399 nan 8.150 nan 0.000 0.465 428 D N -1.206 119.196 120.400 0.003 0.000 2.389 428 D HA 0.103 4.743 4.640 0.000 0.000 0.206 428 D C 0.330 176.631 176.300 0.001 0.000 1.055 428 D CA -0.231 53.770 54.000 0.002 0.000 0.856 428 D CB 0.041 40.842 40.800 0.002 0.000 0.957 428 D HN 0.347 nan 8.370 nan 0.000 0.509 429 L N 2.269 123.493 121.223 0.001 0.000 2.578 429 L HA 0.006 4.346 4.340 0.000 0.000 0.279 429 L C 0.180 177.051 176.870 0.000 0.000 1.227 429 L CA 0.761 55.602 54.840 0.001 0.000 0.900 429 L CB 0.062 42.121 42.059 0.001 0.000 1.144 429 L HN -0.158 nan 8.230 nan 0.000 0.496 430 R N 3.113 123.613 120.500 0.000 0.000 2.855 430 R HA 0.722 5.062 4.340 0.000 0.000 0.266 430 R C -0.256 176.044 176.300 -0.001 0.000 1.034 430 R CA -0.341 55.759 56.100 -0.000 0.000 0.944 430 R CB 1.485 31.785 30.300 -0.000 0.000 1.219 430 R HN 0.798 nan 8.270 nan 0.000 0.474 431 G N -0.369 108.430 108.800 -0.001 0.000 3.212 431 G HA2 0.220 4.180 3.960 0.000 0.000 0.188 431 G HA3 0.220 4.180 3.960 0.000 0.000 0.188 431 G C 0.031 174.930 174.900 -0.001 0.000 1.254 431 G CA -0.191 44.909 45.100 -0.001 0.000 0.957 431 G HN 0.413 nan 8.290 nan 0.000 0.596 432 Q N -0.367 119.432 119.800 -0.001 0.000 2.204 432 Q HA 0.103 4.443 4.340 0.000 0.000 0.198 432 Q C -0.089 175.910 176.000 -0.002 0.000 0.946 432 Q CA 0.715 56.517 55.803 -0.002 0.000 0.859 432 Q CB 0.119 28.856 28.738 -0.002 0.000 0.946 432 Q HN 0.586 nan 8.270 nan 0.000 0.474 433 N N -1.455 117.244 118.700 -0.002 0.000 2.262 433 N HA 0.401 5.141 4.740 0.000 0.000 0.295 433 N C -0.035 175.474 175.510 -0.002 0.000 1.161 433 N CA -0.011 53.038 53.050 -0.002 0.000 0.767 433 N CB 0.793 39.279 38.487 -0.002 0.000 1.499 433 N HN -0.068 nan 8.380 nan 0.000 0.476 434 A N 0.547 123.366 122.820 -0.001 0.000 1.915 434 A HA -0.264 4.056 4.320 0.000 0.000 0.220 434 A C 1.031 178.615 177.584 -0.001 0.000 1.198 434 A CA 2.094 54.130 52.037 -0.001 0.000 0.647 434 A CB -1.000 18.000 19.000 -0.001 0.000 0.825 434 A HN 0.760 nan 8.150 nan 0.000 0.456 435 D N -1.213 119.186 120.400 -0.002 0.000 2.411 435 D HA -0.057 4.583 4.640 0.000 0.000 0.226 435 D C 1.649 177.948 176.300 -0.001 0.000 0.988 435 D CA 0.999 54.998 54.000 -0.002 0.000 0.938 435 D CB -0.031 40.767 40.800 -0.002 0.000 0.883 435 D HN 0.736 nan 8.370 nan 0.000 0.525 436 Q N -1.052 118.748 119.800 -0.001 0.000 2.342 436 Q HA 0.099 4.439 4.340 0.000 0.000 0.261 436 Q C 1.376 177.375 176.000 -0.001 0.000 0.841 436 Q CA -0.227 55.575 55.803 -0.001 0.000 0.969 436 Q CB 0.544 29.282 28.738 -0.001 0.000 1.136 436 Q HN 0.026 nan 8.270 nan 0.000 0.528 437 N N 0.147 118.847 118.700 -0.001 0.000 2.188 437 N HA -0.116 4.624 4.740 0.000 0.000 0.184 437 N C 1.668 177.178 175.510 0.000 0.000 1.018 437 N CA 1.048 54.098 53.050 -0.000 0.000 0.858 437 N CB 0.054 38.541 38.487 -0.000 0.000 0.989 437 N HN 0.043 nan 8.380 nan 0.000 0.426 438 V N 0.715 120.629 119.914 -0.000 0.000 2.453 438 V HA -0.070 4.050 4.120 0.000 0.000 0.247 438 V C 2.312 178.406 176.094 0.000 0.000 1.048 438 V CA 1.734 64.034 62.300 0.000 0.000 1.049 438 V CB -1.015 30.808 31.823 -0.000 0.000 0.672 438 V HN 0.316 nan 8.190 nan 0.000 0.457 439 G N -0.471 108.329 108.800 0.000 0.000 2.535 439 G HA2 -0.157 3.803 3.960 0.000 0.000 0.218 439 G HA3 -0.157 3.803 3.960 0.000 0.000 0.218 439 G C 1.402 176.302 174.900 0.001 0.000 1.122 439 G CA 0.800 45.901 45.100 0.001 0.000 0.769 439 G HN 0.515 nan 8.290 nan 0.000 0.549 440 I N -0.510 120.060 120.570 0.001 0.000 2.726 440 I HA 0.049 4.219 4.170 0.000 0.000 0.243 440 I C 2.397 178.515 176.117 0.001 0.000 1.082 440 I CA 0.201 61.501 61.300 0.001 0.000 1.447 440 I CB -0.119 37.881 38.000 0.000 0.000 1.250 440 I HN -0.160 nan 8.210 nan 0.000 0.453 441 K N 1.033 121.434 120.400 0.001 0.000 2.144 441 K HA -0.187 4.133 4.320 0.000 0.000 0.209 441 K C 2.077 178.678 176.600 0.001 0.000 1.047 441 K CA 1.197 57.485 56.287 0.001 0.000 0.927 441 K CB -0.985 31.516 32.500 0.001 0.000 0.716 441 K HN 0.196 nan 8.250 nan 0.000 0.454 442 V N 1.266 121.181 119.914 0.001 0.000 2.261 442 V HA -0.251 3.869 4.120 0.000 0.000 0.246 442 V C 2.402 178.497 176.094 0.002 0.000 1.047 442 V CA 2.085 64.386 62.300 0.002 0.000 1.015 442 V CB -0.745 31.079 31.823 0.002 0.000 0.642 442 V HN 0.372 nan 8.190 nan 0.000 0.446 443 A N -0.908 121.913 122.820 0.002 0.000 2.070 443 A HA -0.102 4.218 4.320 0.000 0.000 0.220 443 A C 2.125 179.710 177.584 0.002 0.000 1.159 443 A CA 1.553 53.592 52.037 0.003 0.000 0.656 443 A CB -0.383 18.618 19.000 0.002 0.000 0.800 443 A HN 0.549 nan 8.150 nan 0.000 0.453 444 L N -1.672 119.553 121.223 0.002 0.000 2.071 444 L HA 0.005 4.345 4.340 0.000 0.000 0.201 444 L C 2.621 179.493 176.870 0.002 0.000 1.076 444 L CA 1.172 56.014 54.840 0.003 0.000 0.755 444 L CB -0.556 41.504 42.059 0.003 0.000 0.915 444 L HN 0.363 nan 8.230 nan 0.000 0.445 445 R N 0.938 121.439 120.500 0.002 0.000 2.261 445 R HA -0.164 4.176 4.340 0.000 0.000 0.236 445 R C 1.691 177.991 176.300 -0.000 0.000 1.141 445 R CA 1.270 57.370 56.100 0.001 0.000 1.001 445 R CB -0.085 30.216 30.300 0.000 0.000 0.866 445 R HN 0.372 nan 8.270 nan 0.000 0.468 446 A N -0.398 122.423 122.820 0.001 0.000 2.307 446 A HA 0.125 4.445 4.320 0.000 0.000 0.218 446 A C 1.446 179.031 177.584 0.002 0.000 1.228 446 A CA -0.001 52.037 52.037 0.001 0.000 0.857 446 A CB 0.068 19.070 19.000 0.003 0.000 0.897 446 A HN 0.317 nan 8.150 nan 0.000 0.495 447 M N -1.502 118.099 119.600 0.001 0.000 2.421 447 M HA 0.126 4.606 4.480 0.000 0.000 0.258 447 M C 1.053 177.353 176.300 -0.000 0.000 1.122 447 M CA 0.381 55.682 55.300 0.002 0.000 1.078 447 M CB 0.215 32.817 32.600 0.003 0.000 1.380 447 M HN 0.329 nan 8.290 nan 0.000 0.499 448 E N 1.113 121.311 120.200 -0.003 0.000 2.511 448 E HA 0.037 4.387 4.350 0.000 0.000 0.196 448 E C 1.743 178.335 176.600 -0.013 0.000 1.066 448 E CA 0.218 56.613 56.400 -0.007 0.000 0.871 448 E CB 0.153 29.849 29.700 -0.007 0.000 0.863 448 E HN 0.458 nan 8.360 nan 0.000 0.520 449 A N 2.128 124.943 122.820 -0.009 0.000 1.826 449 A HA -0.058 4.262 4.320 0.000 0.000 0.214 449 A C -0.387 177.188 177.584 -0.015 0.000 1.212 449 A CA 0.727 52.757 52.037 -0.011 0.000 0.605 449 A CB -1.502 17.494 19.000 -0.006 0.000 0.861 449 A HN 0.075 nan 8.150 nan 0.000 0.447 450 P HA -0.220 nan 4.420 nan 0.000 0.219 450 P C 1.668 178.956 177.300 -0.020 0.000 1.158 450 P CA 1.507 64.601 63.100 -0.010 0.000 0.895 450 P CB -0.077 31.622 31.700 -0.003 0.000 0.792 451 L N -0.741 120.467 121.223 -0.025 0.000 1.961 451 L HA -0.092 4.248 4.340 0.000 0.000 0.209 451 L C 2.408 179.238 176.870 -0.067 0.000 1.075 451 L CA 1.758 56.571 54.840 -0.045 0.000 0.749 451 L CB -0.889 41.142 42.059 -0.046 0.000 0.890 451 L HN -0.289 nan 8.230 nan 0.000 0.433 452 R N -0.988 119.476 120.500 -0.060 0.000 2.257 452 R HA -0.304 4.036 4.340 0.000 0.000 0.265 452 R C 2.233 178.496 176.300 -0.062 0.000 1.191 452 R CA 1.870 57.932 56.100 -0.065 0.000 1.010 452 R CB -0.320 29.955 30.300 -0.042 0.000 0.883 452 R HN 0.488 nan 8.270 nan 0.000 0.473 453 Q N 0.534 120.305 119.800 -0.048 0.000 2.013 453 Q HA -0.003 4.337 4.340 0.000 0.000 0.195 453 Q C 1.875 177.848 176.000 -0.045 0.000 0.974 453 Q CA 1.429 57.209 55.803 -0.038 0.000 0.826 453 Q CB -0.060 28.664 28.738 -0.024 0.000 0.895 453 Q HN 0.336 nan 8.270 nan 0.000 0.448 454 I N -0.008 120.536 120.570 -0.043 0.000 2.315 454 I HA -0.233 3.937 4.170 0.000 0.000 0.251 454 I C 1.908 177.988 176.117 -0.063 0.000 1.125 454 I CA 0.795 62.072 61.300 -0.037 0.000 1.392 454 I CB -0.531 37.455 38.000 -0.022 0.000 1.065 454 I HN 0.020 nan 8.210 nan 0.000 0.424 455 V N 0.851 120.693 119.914 -0.119 0.000 2.913 455 V HA -0.192 3.928 4.120 0.000 0.000 0.260 455 V C 2.216 178.243 176.094 -0.112 0.000 1.098 455 V CA 1.255 63.441 62.300 -0.190 0.000 1.121 455 V CB -0.272 31.384 31.823 -0.279 0.000 0.714 455 V HN 0.361 nan 8.190 nan 0.000 0.487 456 L N 0.286 121.465 121.223 -0.073 0.000 2.249 456 L HA 0.156 4.496 4.340 0.000 0.000 0.207 456 L C 1.821 178.673 176.870 -0.029 0.000 1.090 456 L CA 1.387 56.199 54.840 -0.046 0.000 0.802 456 L CB -0.519 41.518 42.059 -0.037 0.000 0.947 456 L HN 0.270 nan 8.230 nan 0.000 0.453 457 N N -1.264 117.420 118.700 -0.025 0.000 2.567 457 N HA -0.059 4.681 4.740 0.000 0.000 0.195 457 N C 0.622 176.127 175.510 -0.007 0.000 1.242 457 N CA 0.699 53.741 53.050 -0.013 0.000 0.884 457 N CB -0.376 38.105 38.487 -0.010 0.000 1.007 457 N HN 0.376 nan 8.380 nan 0.000 0.450 458 C N -1.651 117.643 119.300 -0.011 0.000 3.525 458 C HA 0.393 4.853 4.460 0.000 0.000 0.289 458 C C 1.625 176.615 174.990 0.000 0.000 1.496 458 C CA -0.353 58.667 59.018 0.003 0.000 1.804 458 C CB -0.407 27.346 27.740 0.022 0.000 2.708 458 C HN 0.473 nan 8.230 nan 0.000 0.642 459 G N 1.789 110.584 108.800 -0.009 0.000 2.180 459 G HA2 -0.215 3.745 3.960 0.000 0.000 0.263 459 G HA3 -0.215 3.745 3.960 0.000 0.000 0.263 459 G C -0.243 174.652 174.900 -0.008 0.000 0.989 459 G CA 0.572 45.668 45.100 -0.008 0.000 0.692 459 G HN 0.574 nan 8.290 nan 0.000 0.526 460 E N 0.969 121.158 120.200 -0.020 0.000 2.174 460 E HA 0.278 4.628 4.350 0.000 0.000 0.282 460 E C 0.440 177.010 176.600 -0.050 0.000 0.992 460 E CA -0.528 55.857 56.400 -0.024 0.000 0.803 460 E CB 0.757 30.443 29.700 -0.024 0.000 1.090 460 E HN 0.579 nan 8.360 nan 0.000 0.396 461 E N 4.275 124.457 120.200 -0.029 0.000 2.757 461 E HA -0.094 4.256 4.350 0.000 0.000 0.238 461 E C -1.561 175.004 176.600 -0.058 0.000 1.057 461 E CA -0.832 55.549 56.400 -0.031 0.000 0.952 461 E CB 0.216 29.910 29.700 -0.010 0.000 0.934 461 E HN 0.209 nan 8.360 nan 0.000 0.518 462 P HA -0.147 nan 4.420 nan 0.000 0.219 462 P C 1.026 178.291 177.300 -0.059 0.000 1.150 462 P CA 0.839 63.884 63.100 -0.091 0.000 0.814 462 P CB 0.305 31.960 31.700 -0.075 0.000 0.787 463 S N -0.336 115.343 115.700 -0.036 0.000 2.393 463 S HA -0.181 4.289 4.470 0.000 0.000 0.234 463 S C 1.924 176.517 174.600 -0.013 0.000 1.064 463 S CA 1.877 60.066 58.200 -0.019 0.000 1.088 463 S CB -1.592 61.602 63.200 -0.011 0.000 0.939 463 S HN -0.003 nan 8.310 nan 0.000 0.448 464 V N 1.213 121.122 119.914 -0.009 0.000 2.278 464 V HA -0.072 4.048 4.120 0.000 0.000 0.238 464 V C 2.355 178.464 176.094 0.025 0.000 1.039 464 V CA 1.204 63.514 62.300 0.015 0.000 1.017 464 V CB -0.995 30.849 31.823 0.036 0.000 0.657 464 V HN 0.358 nan 8.190 nan 0.000 0.462 465 V N 0.744 120.657 119.914 -0.001 0.000 2.353 465 V HA -0.398 3.722 4.120 0.000 0.000 0.260 465 V C 2.616 178.710 176.094 0.001 0.000 1.091 465 V CA 2.494 64.781 62.300 -0.020 0.000 1.088 465 V CB -1.327 30.262 31.823 -0.390 0.000 0.672 465 V HN 0.594 nan 8.190 nan 0.000 0.455 466 A N 0.232 123.030 122.820 -0.037 0.000 1.832 466 A HA -0.242 4.078 4.320 0.000 0.000 0.214 466 A C 2.054 179.646 177.584 0.013 0.000 1.204 466 A CA 1.899 53.925 52.037 -0.019 0.000 0.606 466 A CB -0.908 18.075 19.000 -0.030 0.000 0.849 466 A HN 0.614 nan 8.150 nan 0.000 0.445 467 N N -0.552 118.155 118.700 0.012 0.000 2.096 467 N HA -0.191 4.549 4.740 0.000 0.000 0.195 467 N C 1.605 177.132 175.510 0.029 0.000 1.017 467 N CA 2.741 55.802 53.050 0.018 0.000 0.870 467 N CB -0.513 37.983 38.487 0.015 0.000 1.024 467 N HN 0.390 nan 8.380 nan 0.000 0.434 468 T N -0.806 113.770 114.554 0.037 0.000 2.812 468 T HA -0.016 4.334 4.350 0.000 0.000 0.264 468 T C 1.850 176.575 174.700 0.040 0.000 1.042 468 T CA 1.129 63.239 62.100 0.018 0.000 1.140 468 T CB -0.262 68.585 68.868 -0.035 0.000 0.870 468 T HN 0.071 nan 8.240 nan 0.000 0.445 469 V N 1.466 121.410 119.914 0.050 0.000 2.490 469 V HA -0.144 3.976 4.120 0.000 0.000 0.250 469 V C 2.406 178.554 176.094 0.090 0.000 1.061 469 V CA 1.480 63.796 62.300 0.027 0.000 1.064 469 V CB -0.456 31.382 31.823 0.024 0.000 0.670 469 V HN 0.455 nan 8.190 nan 0.000 0.461 470 K N 0.400 120.840 120.400 0.066 0.000 2.031 470 K HA -0.047 4.273 4.320 0.000 0.000 0.205 470 K C 1.992 178.634 176.600 0.071 0.000 1.049 470 K CA 1.247 57.570 56.287 0.060 0.000 0.939 470 K CB -0.576 31.945 32.500 0.036 0.000 0.717 470 K HN 0.536 nan 8.250 nan 0.000 0.438 471 G N 0.689 109.529 108.800 0.067 0.000 2.959 471 G HA2 -0.019 3.941 3.960 0.000 0.000 0.203 471 G HA3 -0.019 3.941 3.960 0.000 0.000 0.203 471 G C 0.426 175.360 174.900 0.058 0.000 1.176 471 G CA 0.618 45.748 45.100 0.051 0.000 0.860 471 G HN 0.370 nan 8.290 nan 0.000 0.507 472 G N -0.459 108.405 108.800 0.107 0.000 3.291 472 G HA2 0.620 4.580 3.960 0.000 0.000 0.173 472 G HA3 0.620 4.580 3.960 0.000 0.000 0.173 472 G C -1.309 173.636 174.900 0.074 0.000 1.099 472 G CA 0.125 45.270 45.100 0.075 0.000 0.794 472 G HN 0.396 nan 8.290 nan 0.000 0.651 473 D N -3.048 117.408 120.400 0.095 0.000 2.808 473 D HA 0.524 5.164 4.640 0.000 0.000 0.294 473 D C 0.396 176.751 176.300 0.092 0.000 1.278 473 D CA 0.666 54.711 54.000 0.076 0.000 0.756 473 D CB 0.367 41.184 40.800 0.028 0.000 1.271 473 D HN 1.957 nan 8.370 nan 0.000 0.425 474 G N 0.169 109.013 108.800 0.073 0.000 2.553 474 G HA2 -0.266 3.694 3.960 0.000 0.000 0.242 474 G HA3 -0.266 3.694 3.960 0.000 0.000 0.242 474 G C -0.181 174.781 174.900 0.103 0.000 1.277 474 G CA 0.044 45.188 45.100 0.073 0.000 0.910 474 G HN 0.788 nan 8.290 nan 0.000 0.576 475 N N 0.003 118.767 118.700 0.107 0.000 2.322 475 N HA 0.185 4.925 4.740 0.000 0.000 0.216 475 N C 0.081 175.688 175.510 0.163 0.000 1.144 475 N CA -0.161 52.953 53.050 0.107 0.000 0.830 475 N CB 0.177 38.710 38.487 0.077 0.000 1.034 475 N HN 0.489 nan 8.380 nan 0.000 0.484 476 Y N 1.445 121.774 120.300 0.048 0.000 2.537 476 Y HA 0.295 4.845 4.550 0.000 0.000 0.339 476 Y C 0.578 176.543 175.900 0.107 0.000 1.066 476 Y CA -0.214 57.927 58.100 0.068 0.000 1.357 476 Y CB 0.017 38.505 38.460 0.046 0.000 1.175 476 Y HN -0.027 nan 8.280 nan 0.000 0.525 477 G N 4.585 113.290 108.800 -0.159 0.000 3.247 477 G HA2 0.304 4.264 3.960 0.000 0.000 0.226 477 G HA3 0.304 4.264 3.960 0.000 0.000 0.226 477 G C -2.198 172.666 174.900 -0.061 0.000 1.220 477 G CA -0.860 44.157 45.100 -0.138 0.000 0.875 477 G HN 0.592 nan 8.290 nan 0.000 0.606 478 Y N 0.913 121.129 120.300 -0.141 0.000 2.373 478 Y HA 0.551 5.101 4.550 0.000 0.000 0.336 478 Y C -0.592 175.181 175.900 -0.211 0.000 0.979 478 Y CA -1.191 56.737 58.100 -0.287 0.000 1.080 478 Y CB 1.788 40.027 38.460 -0.368 0.000 1.190 478 Y HN 0.438 nan 8.280 nan 0.000 0.446 479 N N 4.511 122.943 118.700 -0.448 0.000 2.411 479 N HA 0.195 4.935 4.740 0.000 0.000 0.259 479 N C 0.565 175.882 175.510 -0.321 0.000 1.103 479 N CA 0.773 53.659 53.050 -0.273 0.000 0.954 479 N CB 1.772 40.107 38.487 -0.253 0.000 1.085 479 N HN 0.980 nan 8.380 nan 0.000 0.485 480 A N 4.600 127.431 122.820 0.019 0.000 1.865 480 A HA -0.128 4.192 4.320 0.000 0.000 0.217 480 A C 2.079 179.668 177.584 0.009 0.000 1.191 480 A CA 2.066 54.189 52.037 0.143 0.000 0.623 480 A CB -1.032 18.030 19.000 0.103 0.000 0.826 480 A HN 0.758 nan 8.150 nan 0.000 0.444 481 A N -0.483 122.315 122.820 -0.038 0.000 1.865 481 A HA -0.144 4.176 4.320 0.000 0.000 0.217 481 A C 2.484 180.016 177.584 -0.087 0.000 1.191 481 A CA 2.900 54.908 52.037 -0.048 0.000 0.623 481 A CB -1.495 17.481 19.000 -0.040 0.000 0.826 481 A HN 0.893 nan 8.150 nan 0.000 0.444 482 T N -3.616 110.854 114.554 -0.141 0.000 3.055 482 T HA 0.032 4.382 4.350 0.000 0.000 0.265 482 T C 0.547 175.111 174.700 -0.226 0.000 1.111 482 T CA 1.103 63.108 62.100 -0.158 0.000 1.118 482 T CB -0.367 68.409 68.868 -0.154 0.000 0.909 482 T HN 0.594 nan 8.240 nan 0.000 0.501 483 E N 0.490 120.466 120.200 -0.373 0.000 3.070 483 E HA -0.126 4.224 4.350 0.000 0.000 0.285 483 E C -0.798 175.441 176.600 -0.601 0.000 0.972 483 E CA 0.764 56.878 56.400 -0.477 0.000 0.915 483 E CB -1.164 28.446 29.700 -0.150 0.000 1.466 483 E HN 0.686 nan 8.360 nan 0.000 0.432 484 E N -0.482 119.320 120.200 -0.664 0.000 2.340 484 E HA 0.398 4.748 4.350 0.000 0.000 0.273 484 E C -0.240 176.061 176.600 -0.500 0.000 0.891 484 E CA -0.623 55.512 56.400 -0.441 0.000 0.757 484 E CB 1.000 30.597 29.700 -0.173 0.000 1.231 484 E HN -0.020 nan 8.360 nan 0.000 0.439 485 Y N 0.497 120.682 120.300 -0.191 0.000 2.314 485 Y HA 0.581 5.131 4.550 0.000 0.000 0.359 485 Y C 1.524 177.419 175.900 -0.008 0.000 1.360 485 Y CA 0.795 58.816 58.100 -0.133 0.000 1.697 485 Y CB 0.482 38.899 38.460 -0.072 0.000 1.630 485 Y HN 0.728 nan 8.280 nan 0.000 0.583 486 G N -0.319 108.661 108.800 0.299 0.000 2.293 486 G HA2 -0.138 3.822 3.960 0.000 0.000 0.282 486 G HA3 -0.138 3.822 3.960 0.000 0.000 0.282 486 G C -1.581 173.474 174.900 0.259 0.000 1.299 486 G CA -0.989 44.291 45.100 0.301 0.000 1.018 486 G HN 0.647 nan 8.290 nan 0.000 0.478 487 N N 1.302 120.107 118.700 0.175 0.000 2.399 487 N HA 0.136 4.876 4.740 0.000 0.000 0.259 487 N C 1.924 177.481 175.510 0.079 0.000 1.160 487 N CA -0.416 52.714 53.050 0.133 0.000 0.946 487 N CB 0.544 39.087 38.487 0.093 0.000 1.156 487 N HN 0.438 nan 8.380 nan 0.000 0.489 488 M N 3.354 122.996 119.600 0.070 0.000 2.267 488 M HA -0.172 4.308 4.480 0.000 0.000 0.263 488 M C 1.491 177.810 176.300 0.032 0.000 1.063 488 M CA 0.994 56.318 55.300 0.039 0.000 1.090 488 M CB -0.470 32.152 32.600 0.037 0.000 1.392 488 M HN 0.543 nan 8.290 nan 0.000 0.422 489 I N 0.177 120.770 120.570 0.039 0.000 2.277 489 I HA -0.212 3.958 4.170 0.000 0.000 0.243 489 I C 1.900 178.032 176.117 0.024 0.000 1.094 489 I CA 1.240 62.558 61.300 0.029 0.000 1.393 489 I CB -1.325 36.693 38.000 0.030 0.000 1.078 489 I HN 0.220 nan 8.210 nan 0.000 0.417 490 D N 0.791 121.208 120.400 0.029 0.000 2.117 490 D HA -0.138 4.502 4.640 0.000 0.000 0.197 490 D C 2.194 178.504 176.300 0.016 0.000 0.987 490 D CA 1.085 55.099 54.000 0.023 0.000 0.829 490 D CB -0.141 40.676 40.800 0.027 0.000 0.961 490 D HN 0.290 nan 8.370 nan 0.000 0.460 491 M N -0.356 119.254 119.600 0.016 0.000 2.700 491 M HA 0.041 4.521 4.480 0.000 0.000 0.249 491 M C 1.080 177.380 176.300 0.001 0.000 1.082 491 M CA 0.777 56.079 55.300 0.004 0.000 1.077 491 M CB -0.016 32.582 32.600 -0.003 0.000 1.477 491 M HN 0.091 nan 8.290 nan 0.000 0.529 492 G N 1.935 110.739 108.800 0.006 0.000 2.160 492 G HA2 -0.254 3.706 3.960 0.000 0.000 0.251 492 G HA3 -0.254 3.706 3.960 0.000 0.000 0.251 492 G C 0.036 174.939 174.900 0.005 0.000 1.008 492 G CA -0.171 44.932 45.100 0.005 0.000 0.724 492 G HN 0.534 nan 8.290 nan 0.000 0.514 493 I N 0.879 121.453 120.570 0.007 0.000 2.388 493 I HA 0.574 4.744 4.170 0.000 0.000 0.281 493 I C 0.141 176.267 176.117 0.014 0.000 1.046 493 I CA -0.831 60.474 61.300 0.008 0.000 1.187 493 I CB 0.597 38.599 38.000 0.005 0.000 1.351 493 I HN 0.259 nan 8.210 nan 0.000 0.472 494 L N 3.704 124.936 121.223 0.014 0.000 2.710 494 L HA 0.705 5.045 4.340 0.000 0.000 0.260 494 L C -1.715 175.164 176.870 0.016 0.000 0.993 494 L CA -0.800 54.050 54.840 0.016 0.000 0.877 494 L CB 1.808 43.877 42.059 0.017 0.000 1.461 494 L HN 0.110 nan 8.230 nan 0.000 0.413 495 D N -0.159 120.251 120.400 0.017 0.000 2.619 495 D HA 0.513 5.153 4.640 0.000 0.000 0.241 495 D C -2.816 173.495 176.300 0.018 0.000 1.087 495 D CA -1.256 52.754 54.000 0.017 0.000 0.851 495 D CB 2.226 43.036 40.800 0.016 0.000 1.474 495 D HN 0.350 nan 8.370 nan 0.000 0.478 496 P HA -0.019 nan 4.420 nan 0.000 0.267 496 P C 0.876 178.186 177.300 0.017 0.000 1.195 496 P CA 0.199 63.311 63.100 0.021 0.000 0.773 496 P CB 0.615 32.332 31.700 0.028 0.000 0.837 497 T N 0.972 115.534 114.554 0.014 0.000 2.812 497 T HA -0.134 4.216 4.350 0.000 0.000 0.264 497 T C 1.639 176.343 174.700 0.007 0.000 1.042 497 T CA 1.043 63.148 62.100 0.009 0.000 1.140 497 T CB -0.372 68.500 68.868 0.007 0.000 0.870 497 T HN 0.478 nan 8.240 nan 0.000 0.445 498 K N 0.929 121.335 120.400 0.009 0.000 2.049 498 K HA -0.233 4.087 4.320 0.000 0.000 0.219 498 K C 2.390 178.995 176.600 0.008 0.000 1.056 498 K CA 2.249 58.541 56.287 0.008 0.000 0.946 498 K CB -0.651 31.861 32.500 0.019 0.000 0.723 498 K HN 0.310 nan 8.250 nan 0.000 0.453 499 V N -0.203 119.724 119.914 0.020 0.000 2.261 499 V HA -0.198 3.922 4.120 0.000 0.000 0.246 499 V C 1.781 177.885 176.094 0.017 0.000 1.047 499 V CA 2.580 64.896 62.300 0.026 0.000 1.015 499 V CB -1.070 30.771 31.823 0.030 0.000 0.642 499 V HN 0.435 nan 8.190 nan 0.000 0.446 500 T N 0.116 114.678 114.554 0.012 0.000 2.946 500 T HA -0.159 4.191 4.350 0.000 0.000 0.271 500 T C 1.796 176.495 174.700 -0.001 0.000 1.104 500 T CA 1.995 64.100 62.100 0.009 0.000 1.114 500 T CB -0.385 68.489 68.868 0.009 0.000 0.867 500 T HN 0.697 nan 8.240 nan 0.000 0.513 501 R N 0.880 121.373 120.500 -0.011 0.000 2.046 501 R HA 0.003 4.343 4.340 0.000 0.000 0.223 501 R C 2.636 178.901 176.300 -0.059 0.000 1.179 501 R CA 1.294 57.373 56.100 -0.034 0.000 0.952 501 R CB -0.512 29.763 30.300 -0.041 0.000 0.843 501 R HN 0.149 nan 8.270 nan 0.000 0.439 502 S N 0.948 116.606 115.700 -0.070 0.000 2.393 502 S HA -0.313 4.157 4.470 0.000 0.000 0.235 502 S C 2.053 176.637 174.600 -0.027 0.000 1.061 502 S CA 1.807 59.936 58.200 -0.118 0.000 1.129 502 S CB -0.645 62.557 63.200 0.003 0.000 1.011 502 S HN 0.616 nan 8.310 nan 0.000 0.436 503 A N 0.810 123.658 122.820 0.047 0.000 1.917 503 A HA -0.122 4.198 4.320 0.000 0.000 0.219 503 A C 2.145 179.759 177.584 0.049 0.000 1.182 503 A CA 1.812 53.896 52.037 0.077 0.000 0.633 503 A CB -0.683 18.349 19.000 0.053 0.000 0.819 503 A HN 0.440 nan 8.150 nan 0.000 0.448 504 L N -0.442 120.786 121.223 0.008 0.000 2.156 504 L HA -0.134 4.206 4.340 0.000 0.000 0.208 504 L C 2.400 179.263 176.870 -0.012 0.000 1.095 504 L CA 2.030 56.870 54.840 0.000 0.000 0.770 504 L CB -0.540 41.513 42.059 -0.010 0.000 0.914 504 L HN 0.513 nan 8.230 nan 0.000 0.439 505 Q N -1.759 118.003 119.800 -0.063 0.000 2.008 505 Q HA -0.165 4.175 4.340 0.000 0.000 0.196 505 Q C 2.195 178.179 176.000 -0.027 0.000 0.973 505 Q CA 1.631 57.373 55.803 -0.101 0.000 0.826 505 Q CB -0.467 28.130 28.738 -0.236 0.000 0.894 505 Q HN 0.417 nan 8.270 nan 0.000 0.439 506 Y N 1.040 121.342 120.300 0.003 0.000 2.151 506 Y HA -0.256 4.294 4.550 0.000 0.000 0.284 506 Y C 2.468 178.369 175.900 0.001 0.000 1.166 506 Y CA 0.962 59.063 58.100 0.002 0.000 1.163 506 Y CB -1.001 37.460 38.460 0.002 0.000 0.974 506 Y HN 0.182 nan 8.280 nan 0.000 0.511 507 A N -0.009 122.909 122.820 0.162 0.000 1.883 507 A HA -0.178 4.142 4.320 0.000 0.000 0.217 507 A C 2.546 180.170 177.584 0.067 0.000 1.186 507 A CA 2.244 54.335 52.037 0.090 0.000 0.624 507 A CB -1.319 17.717 19.000 0.060 0.000 0.822 507 A HN 0.411 nan 8.150 nan 0.000 0.444 508 A N -0.666 122.186 122.820 0.053 0.000 1.865 508 A HA -0.148 4.172 4.320 0.000 0.000 0.217 508 A C 2.462 180.073 177.584 0.044 0.000 1.191 508 A CA 2.437 54.495 52.037 0.035 0.000 0.623 508 A CB -1.282 17.728 19.000 0.016 0.000 0.826 508 A HN 0.715 nan 8.150 nan 0.000 0.444 509 S N -0.627 115.114 115.700 0.068 0.000 2.427 509 S HA -0.229 4.241 4.470 0.000 0.000 0.231 509 S C 1.902 176.536 174.600 0.056 0.000 1.045 509 S CA 2.423 60.668 58.200 0.075 0.000 1.154 509 S CB -0.951 62.332 63.200 0.138 0.000 1.093 509 S HN 0.407 nan 8.310 nan 0.000 0.422 510 V N 2.832 122.783 119.914 0.061 0.000 2.215 510 V HA -0.280 3.840 4.120 0.000 0.000 0.249 510 V C 2.940 179.050 176.094 0.026 0.000 1.054 510 V CA 2.426 64.748 62.300 0.036 0.000 1.012 510 V CB -1.704 30.137 31.823 0.030 0.000 0.639 510 V HN 0.750 nan 8.190 nan 0.000 0.448 511 A N 0.200 123.036 122.820 0.026 0.000 1.954 511 A HA -0.289 4.031 4.320 0.000 0.000 0.222 511 A C 2.350 179.942 177.584 0.014 0.000 1.199 511 A CA 2.710 54.757 52.037 0.017 0.000 0.657 511 A CB -1.526 17.484 19.000 0.018 0.000 0.823 511 A HN 0.662 nan 8.150 nan 0.000 0.463 512 G N -0.201 108.609 108.800 0.017 0.000 2.552 512 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 512 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 512 G C 1.519 176.425 174.900 0.010 0.000 1.240 512 G CA 1.162 46.270 45.100 0.013 0.000 0.796 512 G HN 0.497 nan 8.290 nan 0.000 0.568 513 L N -0.187 121.044 121.223 0.013 0.000 2.034 513 L HA -0.264 4.076 4.340 0.000 0.000 0.217 513 L C 3.146 180.018 176.870 0.004 0.000 1.077 513 L CA 1.867 56.713 54.840 0.009 0.000 0.769 513 L CB -0.589 41.477 42.059 0.012 0.000 0.890 513 L HN 0.267 nan 8.230 nan 0.000 0.435 514 M N -0.545 119.057 119.600 0.003 0.000 2.159 514 M HA -0.187 4.293 4.480 0.000 0.000 0.263 514 M C 2.206 178.503 176.300 -0.003 0.000 1.063 514 M CA 1.748 57.047 55.300 -0.002 0.000 1.110 514 M CB -0.334 32.266 32.600 -0.001 0.000 1.374 514 M HN 0.232 nan 8.290 nan 0.000 0.411 515 I N -0.414 120.156 120.570 -0.000 0.000 2.830 515 I HA -0.135 4.035 4.170 0.000 0.000 0.263 515 I C 1.301 177.416 176.117 -0.003 0.000 1.230 515 I CA 0.945 62.244 61.300 -0.001 0.000 1.480 515 I CB -0.540 37.460 38.000 0.001 0.000 1.095 515 I HN 0.321 nan 8.210 nan 0.000 0.455 516 T N -2.642 111.911 114.554 -0.002 0.000 3.313 516 T HA 0.276 4.626 4.350 0.000 0.000 0.263 516 T C 0.216 174.913 174.700 -0.005 0.000 0.983 516 T CA -0.402 61.696 62.100 -0.004 0.000 0.963 516 T CB -0.213 68.654 68.868 -0.002 0.000 1.141 516 T HN -0.106 nan 8.240 nan 0.000 0.526 517 T N 1.514 116.064 114.554 -0.006 0.000 2.807 517 T HA 0.454 4.804 4.350 0.000 0.000 0.279 517 T C 0.285 174.984 174.700 -0.002 0.000 0.993 517 T CA -0.644 61.452 62.100 -0.006 0.000 0.970 517 T CB 2.106 70.966 68.868 -0.012 0.000 0.950 517 T HN 0.088 nan 8.240 nan 0.000 0.441 518 E N 0.356 120.561 120.200 0.009 0.000 2.514 518 E HA 0.191 4.541 4.350 0.000 0.000 0.215 518 E C -0.023 176.649 176.600 0.120 0.000 0.946 518 E CA 0.107 56.523 56.400 0.027 0.000 1.038 518 E CB 0.916 30.603 29.700 -0.022 0.000 1.069 518 E HN 0.549 nan 8.360 nan 0.000 0.503 519 C N 0.942 120.312 119.300 0.116 0.000 2.880 519 C HA 0.674 5.135 4.460 0.000 0.000 0.320 519 C C -1.327 173.687 174.990 0.040 0.000 1.176 519 C CA -0.587 58.569 59.018 0.229 0.000 1.390 519 C CB 0.406 28.368 27.740 0.370 0.000 1.846 519 C HN 0.106 nan 8.230 nan 0.000 0.478 520 M N 5.267 124.813 119.600 -0.090 0.000 2.326 520 M HA 0.554 5.034 4.480 0.000 0.000 0.306 520 M C -1.164 175.070 176.300 -0.109 0.000 1.054 520 M CA -0.629 54.559 55.300 -0.186 0.000 0.922 520 M CB 2.108 34.408 32.600 -0.500 0.000 1.632 520 M HN 0.358 nan 8.290 nan 0.000 0.436 521 V N 1.779 121.708 119.914 0.024 0.000 2.357 521 V HA 0.490 4.610 4.120 0.000 0.000 0.281 521 V C -0.328 175.854 176.094 0.147 0.000 1.015 521 V CA -0.307 62.048 62.300 0.092 0.000 0.827 521 V CB 1.727 33.589 31.823 0.065 0.000 1.018 521 V HN 0.970 nan 8.190 nan 0.000 0.432 522 T N 2.430 117.120 114.554 0.226 0.000 2.907 522 T HA 0.482 4.832 4.350 0.000 0.000 0.290 522 T C -0.459 174.264 174.700 0.038 0.000 1.066 522 T CA -0.477 61.706 62.100 0.138 0.000 1.012 522 T CB 1.752 70.721 68.868 0.169 0.000 1.184 522 T HN 0.634 nan 8.240 nan 0.000 0.522 523 D N 0.933 121.332 120.400 -0.001 0.000 2.354 523 D HA 0.292 4.932 4.640 0.000 0.000 0.238 523 D C -0.268 175.991 176.300 -0.068 0.000 1.250 523 D CA -0.035 53.949 54.000 -0.026 0.000 0.911 523 D CB 0.258 41.042 40.800 -0.026 0.000 1.163 523 D HN 0.180 nan 8.370 nan 0.000 0.456 524 L N 2.213 123.399 121.223 -0.061 0.000 2.350 524 L HA 0.285 4.625 4.340 0.000 0.000 0.275 524 L C -1.774 175.042 176.870 -0.089 0.000 1.099 524 L CA -1.939 52.852 54.840 -0.081 0.000 0.808 524 L CB 0.825 42.851 42.059 -0.054 0.000 1.149 524 L HN 0.310 nan 8.230 nan 0.000 0.442 525 P HA -0.068 nan 4.420 nan 0.000 0.314 525 P C -0.841 176.418 177.300 -0.068 0.000 1.521 525 P CA 0.778 63.817 63.100 -0.101 0.000 0.754 525 P CB -0.230 31.400 31.700 -0.116 0.000 1.692 526 K N 0.000 120.366 120.400 -0.056 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.041 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543