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_H 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 1.293 124.112 122.820 -0.002 0.000 2.547 3 A HA 0.388 4.708 4.320 -0.000 0.000 0.269 3 A C 0.448 178.029 177.584 -0.005 0.000 1.041 3 A CA 0.690 52.726 52.037 -0.003 0.000 0.855 3 A CB -0.722 18.273 19.000 -0.007 0.000 0.934 3 A HN 0.554 nan 8.150 nan 0.000 0.521 4 K N 1.844 122.246 120.400 0.003 0.000 2.109 4 K HA 0.412 4.732 4.320 -0.000 0.000 0.243 4 K C -0.541 176.061 176.600 0.003 0.000 1.006 4 K CA -0.631 55.660 56.287 0.007 0.000 0.917 4 K CB 0.854 33.368 32.500 0.025 0.000 1.081 4 K HN 0.728 nan 8.250 nan 0.000 0.468 5 D N 0.217 120.625 120.400 0.013 0.000 2.362 5 D HA 0.417 5.057 4.640 -0.000 0.000 0.247 5 D C -1.479 174.877 176.300 0.093 0.000 1.050 5 D CA -0.697 53.315 54.000 0.020 0.000 0.839 5 D CB 1.484 42.260 40.800 -0.041 0.000 1.283 5 D HN 0.051 nan 8.370 nan 0.000 0.477 6 V N 3.750 123.671 119.914 0.013 0.000 2.638 6 V HA 0.462 4.582 4.120 -0.000 0.000 0.306 6 V C -0.266 175.594 176.094 -0.390 0.000 1.052 6 V CA -0.752 61.467 62.300 -0.136 0.000 0.885 6 V CB 2.055 33.758 31.823 -0.201 0.000 0.999 6 V HN 0.462 nan 8.190 nan 0.000 0.424 7 K N 3.413 123.512 120.400 -0.503 0.000 2.375 7 K HA 0.810 5.130 4.320 -0.000 0.000 0.249 7 K C -1.744 174.495 176.600 -0.603 0.000 0.942 7 K CA -0.496 55.446 56.287 -0.574 0.000 0.806 7 K CB 2.360 34.653 32.500 -0.345 0.000 1.227 7 K HN 0.446 nan 8.250 nan 0.000 0.430 8 F N -0.139 119.765 119.950 -0.077 0.000 2.620 8 F HA 0.596 5.123 4.527 -0.000 0.000 0.320 8 F C 0.894 176.659 175.800 -0.059 0.000 1.069 8 F CA -0.474 57.484 58.000 -0.070 0.000 0.953 8 F CB 1.312 40.289 39.000 -0.039 0.000 1.322 8 F HN 0.768 nan 8.300 nan 0.000 0.479 9 G N 1.396 110.295 108.800 0.166 0.000 2.601 9 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.261 9 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.261 9 G C 0.808 175.726 174.900 0.029 0.000 1.289 9 G CA 0.377 45.521 45.100 0.074 0.000 0.920 9 G HN 0.833 nan 8.290 nan 0.000 0.571 10 N N 0.220 118.932 118.700 0.021 0.000 2.100 10 N HA -0.288 4.452 4.740 -0.000 0.000 0.199 10 N C 1.732 177.239 175.510 -0.005 0.000 1.017 10 N CA 2.335 55.390 53.050 0.008 0.000 0.890 10 N CB -0.395 38.099 38.487 0.012 0.000 1.080 10 N HN 0.702 nan 8.380 nan 0.000 0.525 11 D N 0.695 121.093 120.400 -0.002 0.000 2.355 11 D HA -0.267 4.373 4.640 -0.000 0.000 0.192 11 D C 1.821 178.077 176.300 -0.073 0.000 1.014 11 D CA 1.912 55.901 54.000 -0.017 0.000 0.862 11 D CB -0.796 39.997 40.800 -0.013 0.000 0.986 11 D HN 0.445 nan 8.370 nan 0.000 0.456 12 A N -0.061 122.684 122.820 -0.124 0.000 2.042 12 A HA -0.261 4.059 4.320 -0.000 0.000 0.222 12 A C 2.119 179.607 177.584 -0.160 0.000 1.167 12 A CA 1.938 53.834 52.037 -0.235 0.000 0.649 12 A CB -0.381 18.517 19.000 -0.170 0.000 0.809 12 A HN 0.186 nan 8.150 nan 0.000 0.457 13 R N -1.102 119.353 120.500 -0.076 0.000 2.062 13 R HA 0.014 4.354 4.340 -0.000 0.000 0.218 13 R C 2.234 178.519 176.300 -0.025 0.000 1.161 13 R CA 1.103 57.176 56.100 -0.045 0.000 0.994 13 R CB -0.713 29.573 30.300 -0.023 0.000 0.888 13 R HN 0.501 nan 8.270 nan 0.000 0.442 14 V N 0.874 120.781 119.914 -0.013 0.000 2.370 14 V HA -0.298 3.822 4.120 -0.000 0.000 0.252 14 V C 1.885 177.986 176.094 0.012 0.000 1.068 14 V CA 1.691 63.993 62.300 0.003 0.000 1.061 14 V CB -0.543 31.285 31.823 0.009 0.000 0.656 14 V HN 0.146 nan 8.190 nan 0.000 0.455 15 K N -0.053 120.355 120.400 0.014 0.000 2.002 15 K HA -0.036 4.284 4.320 -0.000 0.000 0.209 15 K C 2.277 178.900 176.600 0.039 0.000 1.048 15 K CA 2.167 58.487 56.287 0.054 0.000 0.930 15 K CB -0.587 31.976 32.500 0.105 0.000 0.714 15 K HN 0.546 nan 8.250 nan 0.000 0.438 16 M N 0.481 120.083 119.600 0.003 0.000 2.080 16 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 16 M C 2.229 178.534 176.300 0.010 0.000 1.068 16 M CA 1.248 56.551 55.300 0.004 0.000 1.109 16 M CB -0.436 32.153 32.600 -0.019 0.000 1.342 16 M HN 0.073 nan 8.290 nan 0.000 0.405 17 L N 0.762 121.988 121.223 0.005 0.000 1.943 17 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 17 L C 2.438 179.314 176.870 0.011 0.000 1.074 17 L CA 2.102 56.946 54.840 0.007 0.000 0.759 17 L CB -1.029 41.033 42.059 0.004 0.000 0.888 17 L HN 0.156 nan 8.230 nan 0.000 0.433 18 R N 0.333 120.842 120.500 0.015 0.000 2.153 18 R HA -0.143 4.197 4.340 -0.000 0.000 0.252 18 R C 2.112 178.423 176.300 0.018 0.000 1.158 18 R CA 1.864 57.974 56.100 0.016 0.000 0.975 18 R CB -1.569 28.744 30.300 0.021 0.000 0.871 18 R HN 0.625 nan 8.270 nan 0.000 0.450 19 G N -0.608 108.207 108.800 0.025 0.000 2.408 19 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 19 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 19 G C 1.421 176.331 174.900 0.017 0.000 1.150 19 G CA 1.018 46.134 45.100 0.026 0.000 0.776 19 G HN 0.374 nan 8.290 nan 0.000 0.542 20 V N -1.166 118.756 119.914 0.013 0.000 2.535 20 V HA 0.004 4.124 4.120 -0.000 0.000 0.246 20 V C 2.197 178.295 176.094 0.006 0.000 1.045 20 V CA 1.603 63.908 62.300 0.008 0.000 1.058 20 V CB -0.652 31.175 31.823 0.007 0.000 0.689 20 V HN 0.132 nan 8.190 nan 0.000 0.461 21 N N 1.067 119.771 118.700 0.006 0.000 2.247 21 N HA -0.147 4.593 4.740 -0.000 0.000 0.189 21 N C 1.641 177.153 175.510 0.003 0.000 1.009 21 N CA 1.734 54.786 53.050 0.004 0.000 0.872 21 N CB -0.475 38.015 38.487 0.005 0.000 0.980 21 N HN 0.531 nan 8.380 nan 0.000 0.436 22 V N 0.708 120.624 119.914 0.004 0.000 2.256 22 V HA -0.140 3.980 4.120 -0.000 0.000 0.240 22 V C 2.330 178.424 176.094 -0.000 0.000 1.036 22 V CA 0.888 63.189 62.300 0.001 0.000 1.008 22 V CB -0.651 31.173 31.823 0.002 0.000 0.648 22 V HN 0.182 nan 8.190 nan 0.000 0.453 23 L N 0.742 121.965 121.223 0.000 0.000 2.103 23 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 23 L C 2.215 179.084 176.870 -0.002 0.000 1.080 23 L CA 2.537 57.376 54.840 -0.002 0.000 0.764 23 L CB -0.985 41.073 42.059 -0.001 0.000 0.890 23 L HN 0.288 nan 8.230 nan 0.000 0.435 24 A N -0.901 121.918 122.820 -0.001 0.000 1.824 24 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 24 A C 1.960 179.543 177.584 -0.002 0.000 1.244 24 A CA 1.335 53.372 52.037 -0.001 0.000 0.604 24 A CB -1.125 17.876 19.000 0.000 0.000 0.900 24 A HN 0.473 nan 8.150 nan 0.000 0.455 25 D N 0.279 120.677 120.400 -0.002 0.000 2.276 25 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 25 D C 1.597 177.895 176.300 -0.004 0.000 1.004 25 D CA 1.607 55.605 54.000 -0.003 0.000 0.898 25 D CB -0.273 40.525 40.800 -0.003 0.000 0.906 25 D HN 0.435 nan 8.370 nan 0.000 0.457 26 A N -0.420 122.397 122.820 -0.004 0.000 2.337 26 A HA 0.270 4.590 4.320 -0.000 0.000 0.227 26 A C 1.672 179.253 177.584 -0.006 0.000 1.259 26 A CA -0.004 52.030 52.037 -0.005 0.000 0.870 26 A CB 0.526 19.523 19.000 -0.005 0.000 0.927 26 A HN 0.132 nan 8.150 nan 0.000 0.497 27 V N -0.839 119.072 119.914 -0.005 0.000 3.245 27 V HA -0.028 4.092 4.120 -0.000 0.000 0.246 27 V C 1.639 177.730 176.094 -0.005 0.000 1.487 27 V CA 0.855 63.151 62.300 -0.006 0.000 1.154 27 V CB 0.028 31.848 31.823 -0.005 0.000 0.971 27 V HN 0.667 nan 8.190 nan 0.000 0.443 28 K N 2.276 122.673 120.400 -0.005 0.000 2.665 28 K HA 0.001 4.321 4.320 -0.000 0.000 0.196 28 K C 1.208 177.804 176.600 -0.007 0.000 1.021 28 K CA 1.436 57.719 56.287 -0.006 0.000 1.066 28 K CB -0.154 32.343 32.500 -0.006 0.000 0.849 28 K HN 0.522 nan 8.250 nan 0.000 0.500 29 V N -2.736 117.174 119.914 -0.007 0.000 2.908 29 V HA -0.036 4.084 4.120 -0.000 0.000 0.240 29 V C 2.103 178.193 176.094 -0.006 0.000 1.117 29 V CA 0.766 63.062 62.300 -0.007 0.000 1.133 29 V CB -0.290 31.529 31.823 -0.006 0.000 0.857 29 V HN 0.434 nan 8.190 nan 0.000 0.478 30 T N -0.502 114.049 114.554 -0.005 0.000 3.427 30 T HA 0.119 4.469 4.350 -0.000 0.000 0.256 30 T C 0.414 175.111 174.700 -0.004 0.000 1.172 30 T CA 0.132 62.229 62.100 -0.005 0.000 1.018 30 T CB -1.001 67.864 68.868 -0.005 0.000 0.981 30 T HN 0.277 nan 8.240 nan 0.000 0.555 31 L N 2.190 123.410 121.223 -0.005 0.000 2.313 31 L HA 0.588 4.928 4.340 -0.000 0.000 0.282 31 L C 0.985 177.853 176.870 -0.003 0.000 1.092 31 L CA 1.477 56.314 54.840 -0.005 0.000 0.831 31 L CB -0.290 41.764 42.059 -0.007 0.000 1.159 31 L HN 0.643 nan 8.230 nan 0.000 0.442 32 G N 5.029 113.829 108.800 -0.001 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 -1.988 172.914 174.900 0.003 0.000 1.291 32 G CA -0.061 45.041 45.100 0.003 0.000 0.904 32 G HN 0.590 nan 8.290 nan 0.000 0.577 33 P HA 0.225 nan 4.420 nan 0.000 0.221 33 P C 0.888 178.190 177.300 0.004 0.000 1.152 33 P CA 0.809 63.911 63.100 0.004 0.000 0.851 33 P CB 0.232 31.934 31.700 0.005 0.000 0.833 34 K N 1.154 121.558 120.400 0.007 0.000 2.596 34 K HA 0.282 4.602 4.320 -0.000 0.000 0.211 34 K C 0.976 177.577 176.600 0.001 0.000 1.046 34 K CA -0.138 56.152 56.287 0.005 0.000 1.202 34 K CB -0.404 32.103 32.500 0.011 0.000 0.925 34 K HN 0.114 nan 8.250 nan 0.000 0.486 35 G N 1.310 110.110 108.800 0.000 0.000 2.483 35 G HA2 0.171 4.131 3.960 -0.000 0.000 0.248 35 G HA3 0.171 4.131 3.960 -0.000 0.000 0.248 35 G C 0.215 175.114 174.900 -0.002 0.000 1.248 35 G CA -0.469 44.630 45.100 -0.002 0.000 0.838 35 G HN 0.072 nan 8.290 nan 0.000 0.566 36 R N 0.789 121.287 120.500 -0.003 0.000 2.541 36 R HA 0.291 4.631 4.340 -0.000 0.000 0.254 36 R C -0.272 176.027 176.300 -0.003 0.000 1.130 36 R CA -0.899 55.200 56.100 -0.003 0.000 1.152 36 R CB 0.027 30.325 30.300 -0.004 0.000 1.222 36 R HN 0.578 nan 8.270 nan 0.000 0.579 37 N N -1.104 117.594 118.700 -0.003 0.000 2.443 37 N HA 0.396 5.136 4.740 -0.000 0.000 0.295 37 N C -1.177 174.331 175.510 -0.003 0.000 1.076 37 N CA -0.524 52.524 53.050 -0.003 0.000 0.919 37 N CB 1.815 40.301 38.487 -0.002 0.000 1.176 37 N HN 0.083 nan 8.380 nan 0.000 0.487 38 V N 1.933 121.844 119.914 -0.004 0.000 2.487 38 V HA 0.365 4.485 4.120 -0.000 0.000 0.298 38 V C -0.561 175.531 176.094 -0.005 0.000 1.028 38 V CA -0.824 61.473 62.300 -0.005 0.000 0.860 38 V CB 1.747 33.566 31.823 -0.006 0.000 0.991 38 V HN 0.377 nan 8.190 nan 0.000 0.427 39 V N 6.381 126.292 119.914 -0.005 0.000 2.364 39 V HA 0.423 4.543 4.120 -0.000 0.000 0.272 39 V C -0.059 176.031 176.094 -0.007 0.000 1.036 39 V CA -0.441 61.856 62.300 -0.005 0.000 0.880 39 V CB 1.157 32.978 31.823 -0.004 0.000 0.991 39 V HN 0.625 nan 8.190 nan 0.000 0.460 40 L N 3.672 124.890 121.223 -0.008 0.000 2.321 40 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 40 L C 0.178 177.040 176.870 -0.013 0.000 1.050 40 L CA -0.492 54.341 54.840 -0.011 0.000 0.893 40 L CB 0.842 42.894 42.059 -0.011 0.000 1.272 40 L HN 0.613 nan 8.230 nan 0.000 0.435 41 D N 3.259 123.650 120.400 -0.016 0.000 2.583 41 D HA -0.031 4.609 4.640 -0.000 0.000 0.232 41 D C -0.011 176.272 176.300 -0.029 0.000 1.128 41 D CA 1.045 55.033 54.000 -0.020 0.000 0.859 41 D CB 0.859 41.645 40.800 -0.024 0.000 1.169 41 D HN 0.335 nan 8.370 nan 0.000 0.481 42 K N 1.112 121.495 120.400 -0.028 0.000 2.238 42 K HA 0.355 4.675 4.320 -0.000 0.000 0.239 42 K C 1.059 177.617 176.600 -0.072 0.000 0.987 42 K CA -0.601 55.661 56.287 -0.040 0.000 0.857 42 K CB 1.211 33.704 32.500 -0.012 0.000 1.154 42 K HN 0.549 nan 8.250 nan 0.000 0.439 43 S N 0.895 116.510 115.700 -0.141 0.000 2.309 43 S HA 0.044 4.514 4.470 -0.000 0.000 0.206 43 S C 0.467 174.951 174.600 -0.194 0.000 1.028 43 S CA 0.470 58.499 58.200 -0.285 0.000 0.972 43 S CB -0.338 62.525 63.200 -0.562 0.000 0.961 43 S HN 0.368 nan 8.310 nan 0.000 0.449 44 F N 3.154 123.103 119.950 -0.002 0.000 2.404 44 F HA 0.707 5.234 4.527 0.000 0.000 0.358 44 F C 1.241 177.041 175.800 -0.001 0.000 1.120 44 F CA 0.027 58.025 58.000 -0.002 0.000 1.144 44 F CB 0.559 39.558 39.000 -0.002 0.000 1.133 44 F HN 0.815 nan 8.300 nan 0.000 0.495 45 G N 1.331 110.244 108.800 0.187 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 -1.481 173.457 174.900 0.063 0.000 1.249 45 G CA -0.577 44.584 45.100 0.102 0.000 1.053 45 G HN 0.898 nan 8.290 nan 0.000 0.492 46 A N 0.470 123.316 122.820 0.043 0.000 2.303 46 A HA 0.874 5.194 4.320 -0.000 0.000 0.317 46 A C -1.697 175.898 177.584 0.019 0.000 1.149 46 A CA -0.798 51.255 52.037 0.027 0.000 0.822 46 A CB 0.208 19.221 19.000 0.021 0.000 1.131 46 A HN 0.664 nan 8.150 nan 0.000 0.493 47 P HA 0.158 nan 4.420 nan 0.000 0.270 47 P C -0.296 177.007 177.300 0.005 0.000 1.221 47 P CA 0.373 63.475 63.100 0.004 0.000 0.788 47 P CB 0.351 32.052 31.700 0.002 0.000 0.904 48 T N 2.022 116.577 114.554 0.001 0.000 2.771 48 T HA 0.534 4.884 4.350 -0.000 0.000 0.281 48 T C 0.103 174.803 174.700 -0.000 0.000 0.982 48 T CA -0.327 61.774 62.100 0.002 0.000 0.978 48 T CB 0.188 69.056 68.868 0.000 0.000 0.930 48 T HN 0.158 nan 8.240 nan 0.000 0.447 49 I N 2.757 123.327 120.570 0.001 0.000 2.339 49 I HA 0.569 4.739 4.170 -0.000 0.000 0.290 49 I C 0.421 176.537 176.117 -0.001 0.000 0.994 49 I CA -0.471 60.828 61.300 -0.000 0.000 1.191 49 I CB 1.709 39.709 38.000 0.001 0.000 1.343 49 I HN 0.516 nan 8.210 nan 0.000 0.458 50 T N 4.237 118.790 114.554 -0.002 0.000 2.762 50 T HA 0.412 4.762 4.350 -0.000 0.000 0.301 50 T C -0.268 174.430 174.700 -0.003 0.000 1.299 50 T CA -0.562 61.537 62.100 -0.002 0.000 1.005 50 T CB 1.822 70.688 68.868 -0.003 0.000 1.377 50 T HN 0.673 nan 8.240 nan 0.000 0.504 51 K N 0.762 121.160 120.400 -0.004 0.000 2.501 51 K HA 0.205 4.525 4.320 -0.000 0.000 0.204 51 K C -0.831 175.766 176.600 -0.005 0.000 1.067 51 K CA -0.240 56.044 56.287 -0.004 0.000 1.060 51 K CB 0.620 33.118 32.500 -0.003 0.000 0.873 51 K HN 0.367 nan 8.250 nan 0.000 0.540 52 D N 0.935 121.332 120.400 -0.006 0.000 2.483 52 D HA 0.083 4.723 4.640 -0.000 0.000 0.220 52 D C 1.318 177.613 176.300 -0.009 0.000 1.173 52 D CA -0.083 53.913 54.000 -0.008 0.000 0.964 52 D CB 0.598 41.393 40.800 -0.008 0.000 1.046 52 D HN 0.279 nan 8.370 nan 0.000 0.517 53 G N 1.962 110.757 108.800 -0.009 0.000 2.605 53 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.222 53 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.222 53 G C 1.438 176.331 174.900 -0.011 0.000 1.092 53 G CA 0.925 46.019 45.100 -0.009 0.000 0.730 53 G HN 0.470 nan 8.290 nan 0.000 0.588 54 V N 0.445 120.351 119.914 -0.013 0.000 2.302 54 V HA -0.122 3.998 4.120 -0.000 0.000 0.243 54 V C 2.981 179.066 176.094 -0.015 0.000 1.036 54 V CA 2.103 64.394 62.300 -0.016 0.000 1.020 54 V CB -0.543 31.268 31.823 -0.020 0.000 0.657 54 V HN 0.366 nan 8.190 nan 0.000 0.453 55 S N -0.050 115.643 115.700 -0.013 0.000 2.399 55 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 55 S C 1.980 176.573 174.600 -0.011 0.000 1.022 55 S CA 1.315 59.508 58.200 -0.011 0.000 0.983 55 S CB -0.154 63.041 63.200 -0.009 0.000 0.803 55 S HN 0.355 nan 8.310 nan 0.000 0.480 56 V N 1.625 121.533 119.914 -0.010 0.000 2.515 56 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 56 V C 2.448 178.535 176.094 -0.011 0.000 1.058 56 V CA 1.497 63.791 62.300 -0.010 0.000 1.064 56 V CB -1.047 30.771 31.823 -0.009 0.000 0.675 56 V HN 0.523 nan 8.190 nan 0.000 0.461 57 A N -0.222 122.591 122.820 -0.012 0.000 1.832 57 A HA -0.186 4.134 4.320 -0.000 0.000 0.214 57 A C 2.335 179.911 177.584 -0.014 0.000 1.200 57 A CA 1.561 53.590 52.037 -0.013 0.000 0.610 57 A CB -0.646 18.346 19.000 -0.015 0.000 0.842 57 A HN 0.376 nan 8.150 nan 0.000 0.444 58 R N -0.236 120.255 120.500 -0.015 0.000 2.208 58 R HA -0.187 4.153 4.340 -0.000 0.000 0.262 58 R C 0.921 177.212 176.300 -0.016 0.000 1.166 58 R CA 1.693 57.783 56.100 -0.016 0.000 0.987 58 R CB -0.313 29.977 30.300 -0.016 0.000 0.887 58 R HN 0.509 nan 8.270 nan 0.000 0.459 59 E N 0.085 120.276 120.200 -0.015 0.000 2.416 59 E HA 0.064 4.414 4.350 -0.000 0.000 0.189 59 E C 0.137 176.728 176.600 -0.015 0.000 1.091 59 E CA 0.188 56.578 56.400 -0.016 0.000 0.889 59 E CB 0.162 29.852 29.700 -0.016 0.000 1.015 59 E HN 0.224 nan 8.360 nan 0.000 0.479 60 I N 0.987 121.549 120.570 -0.014 0.000 2.437 60 I HA 0.320 4.490 4.170 -0.000 0.000 0.298 60 I C 0.152 176.262 176.117 -0.011 0.000 0.984 60 I CA -0.367 60.926 61.300 -0.012 0.000 1.214 60 I CB 1.505 39.499 38.000 -0.009 0.000 1.365 60 I HN -0.022 nan 8.210 nan 0.000 0.469 61 E N 6.313 126.507 120.200 -0.010 0.000 3.397 61 E HA 0.255 4.605 4.350 -0.000 0.000 0.380 61 E C -1.916 174.678 176.600 -0.010 0.000 0.989 61 E CA -0.407 55.987 56.400 -0.009 0.000 0.783 61 E CB 1.063 30.755 29.700 -0.013 0.000 1.334 61 E HN 0.442 nan 8.360 nan 0.000 0.457 62 L N 2.732 123.951 121.223 -0.006 0.000 2.448 62 L HA 0.412 4.752 4.340 -0.000 0.000 0.258 62 L C 1.660 178.521 176.870 -0.016 0.000 1.104 62 L CA -0.455 54.380 54.840 -0.008 0.000 0.800 62 L CB 0.644 42.702 42.059 -0.000 0.000 1.241 62 L HN 0.736 nan 8.230 nan 0.000 0.472 63 E N 0.324 120.511 120.200 -0.020 0.000 2.011 63 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 63 E C 0.445 177.018 176.600 -0.046 0.000 0.980 63 E CA 0.138 56.519 56.400 -0.032 0.000 0.814 63 E CB 0.117 29.798 29.700 -0.031 0.000 0.775 63 E HN 0.696 nan 8.360 nan 0.000 0.454 64 D N 1.356 121.730 120.400 -0.043 0.000 2.518 64 D HA -0.115 4.525 4.640 -0.000 0.000 0.270 64 D C 0.651 176.906 176.300 -0.076 0.000 1.338 64 D CA 0.177 54.136 54.000 -0.068 0.000 0.983 64 D CB 0.511 41.293 40.800 -0.029 0.000 1.126 64 D HN 0.128 nan 8.370 nan 0.000 0.543 65 K N 3.358 123.665 120.400 -0.155 0.000 2.184 65 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 65 K C 1.702 178.302 176.600 0.001 0.000 1.048 65 K CA 1.367 57.568 56.287 -0.144 0.000 0.931 65 K CB -0.379 31.954 32.500 -0.277 0.000 0.718 65 K HN 0.462 nan 8.250 nan 0.000 0.465 66 F N 1.363 121.301 119.950 -0.021 0.000 2.074 66 F HA -0.022 4.505 4.527 -0.000 0.000 0.290 66 F C 2.482 178.273 175.800 -0.015 0.000 1.118 66 F CA 0.631 58.619 58.000 -0.020 0.000 1.199 66 F CB -1.163 37.822 39.000 -0.025 0.000 1.012 66 F HN 0.091 nan 8.300 nan 0.000 0.472 67 E N 0.269 120.586 120.200 0.194 0.000 2.108 67 E HA -0.352 3.998 4.350 -0.000 0.000 0.203 67 E C 1.879 178.522 176.600 0.072 0.000 1.022 67 E CA 1.854 58.314 56.400 0.099 0.000 0.823 67 E CB -0.672 29.064 29.700 0.060 0.000 0.744 67 E HN 0.411 nan 8.360 nan 0.000 0.456 68 N N 0.581 119.318 118.700 0.061 0.000 2.069 68 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 68 N C 1.906 177.445 175.510 0.048 0.000 1.031 68 N CA 1.560 54.633 53.050 0.039 0.000 0.852 68 N CB -0.065 38.435 38.487 0.022 0.000 1.018 68 N HN 0.084 nan 8.380 nan 0.000 0.423 69 M N -0.386 119.263 119.600 0.082 0.000 2.089 69 M HA -0.148 4.332 4.480 -0.000 0.000 0.257 69 M C 2.186 178.513 176.300 0.045 0.000 1.071 69 M CA 1.931 57.276 55.300 0.076 0.000 1.096 69 M CB -0.860 31.816 32.600 0.126 0.000 1.330 69 M HN 0.425 nan 8.290 nan 0.000 0.403 70 G N -0.225 108.601 108.800 0.044 0.000 2.524 70 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.215 70 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.215 70 G C 1.521 176.431 174.900 0.017 0.000 1.239 70 G CA 1.051 46.164 45.100 0.022 0.000 0.798 70 G HN 0.569 nan 8.290 nan 0.000 0.557 71 A N -0.645 122.186 122.820 0.018 0.000 2.148 71 A HA -0.121 4.199 4.320 -0.000 0.000 0.222 71 A C 2.270 179.857 177.584 0.006 0.000 1.161 71 A CA 2.016 54.059 52.037 0.010 0.000 0.662 71 A CB -0.257 18.750 19.000 0.011 0.000 0.799 71 A HN 0.393 nan 8.150 nan 0.000 0.466 72 Q N -1.463 118.342 119.800 0.009 0.000 2.402 72 Q HA 0.147 4.487 4.340 -0.000 0.000 0.206 72 Q C 1.897 177.895 176.000 -0.002 0.000 0.919 72 Q CA 0.633 56.438 55.803 0.003 0.000 0.923 72 Q CB 0.017 28.760 28.738 0.009 0.000 1.048 72 Q HN 0.833 nan 8.270 nan 0.000 0.515 73 M N -0.753 118.847 119.600 0.000 0.000 2.142 73 M HA -0.081 4.399 4.480 -0.000 0.000 0.256 73 M C 2.225 178.517 176.300 -0.013 0.000 1.098 73 M CA 0.944 56.241 55.300 -0.005 0.000 1.151 73 M CB -0.728 31.872 32.600 0.000 0.000 1.299 73 M HN 0.036 nan 8.290 nan 0.000 0.431 74 V N 1.074 120.984 119.914 -0.006 0.000 2.370 74 V HA -0.327 3.793 4.120 -0.000 0.000 0.252 74 V C 2.196 178.279 176.094 -0.018 0.000 1.068 74 V CA 2.468 64.764 62.300 -0.007 0.000 1.061 74 V CB -0.688 31.136 31.823 0.001 0.000 0.656 74 V HN 0.546 nan 8.190 nan 0.000 0.455 75 K N -0.681 119.708 120.400 -0.017 0.000 2.057 75 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 75 K C 2.318 178.895 176.600 -0.039 0.000 1.049 75 K CA 1.778 58.052 56.287 -0.023 0.000 0.931 75 K CB -0.280 32.210 32.500 -0.016 0.000 0.714 75 K HN 0.565 nan 8.250 nan 0.000 0.440 76 E N 0.432 120.607 120.200 -0.041 0.000 2.208 76 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 76 E C 1.847 178.387 176.600 -0.100 0.000 0.988 76 E CA 0.579 56.944 56.400 -0.058 0.000 0.828 76 E CB 0.168 29.842 29.700 -0.043 0.000 0.763 76 E HN 0.183 nan 8.360 nan 0.000 0.478 77 V N 0.431 120.282 119.914 -0.104 0.000 2.379 77 V HA -0.082 4.038 4.120 -0.000 0.000 0.243 77 V C 2.278 178.226 176.094 -0.244 0.000 1.035 77 V CA 1.569 63.756 62.300 -0.187 0.000 1.035 77 V CB -0.249 31.511 31.823 -0.106 0.000 0.673 77 V HN 0.281 nan 8.190 nan 0.000 0.457 78 A N 0.603 123.353 122.820 -0.115 0.000 1.917 78 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 78 A C 2.527 180.048 177.584 -0.105 0.000 1.182 78 A CA 2.784 54.778 52.037 -0.072 0.000 0.633 78 A CB -1.217 17.767 19.000 -0.026 0.000 0.819 78 A HN 0.916 nan 8.150 nan 0.000 0.448 79 S N -0.163 115.472 115.700 -0.108 0.000 2.441 79 S HA -0.249 4.221 4.470 -0.000 0.000 0.242 79 S C 1.700 176.221 174.600 -0.132 0.000 1.018 79 S CA 1.782 59.924 58.200 -0.096 0.000 0.988 79 S CB -0.444 62.707 63.200 -0.080 0.000 0.778 79 S HN 0.663 nan 8.310 nan 0.000 0.498 80 K N 1.135 121.379 120.400 -0.260 0.000 2.116 80 K HA 0.205 4.525 4.320 -0.000 0.000 0.203 80 K C 2.619 179.136 176.600 -0.138 0.000 1.052 80 K CA 0.877 56.955 56.287 -0.349 0.000 0.952 80 K CB -0.491 31.485 32.500 -0.873 0.000 0.729 80 K HN 0.478 nan 8.250 nan 0.000 0.446 81 A N 1.952 124.746 122.820 -0.042 0.000 1.865 81 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 81 A C 1.930 179.570 177.584 0.092 0.000 1.191 81 A CA 2.130 54.287 52.037 0.199 0.000 0.623 81 A CB -0.843 18.269 19.000 0.187 0.000 0.826 81 A HN 0.307 nan 8.150 nan 0.000 0.444 82 N N 0.001 118.713 118.700 0.021 0.000 2.104 82 N HA -0.163 4.577 4.740 -0.000 0.000 0.190 82 N C 1.234 176.738 175.510 -0.011 0.000 1.024 82 N CA 1.712 54.755 53.050 -0.011 0.000 0.853 82 N CB -0.217 38.248 38.487 -0.037 0.000 1.008 82 N HN 0.437 nan 8.380 nan 0.000 0.424 83 D N -0.572 119.827 120.400 -0.002 0.000 2.178 83 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 83 D C 1.547 177.879 176.300 0.053 0.000 0.980 83 D CA 1.156 55.162 54.000 0.009 0.000 0.842 83 D CB -0.145 40.649 40.800 -0.010 0.000 0.948 83 D HN 0.432 nan 8.370 nan 0.000 0.472 84 A N 0.905 123.778 122.820 0.087 0.000 1.864 84 A HA 0.320 4.640 4.320 -0.000 0.000 0.213 84 A C 2.133 179.777 177.584 0.100 0.000 1.266 84 A CA 1.314 53.414 52.037 0.105 0.000 0.612 84 A CB -0.770 18.319 19.000 0.149 0.000 0.940 84 A HN 0.194 nan 8.150 nan 0.000 0.463 85 A N -1.654 121.220 122.820 0.090 0.000 1.861 85 A HA 0.390 4.710 4.320 -0.000 0.000 0.214 85 A C 1.837 179.474 177.584 0.089 0.000 1.322 85 A CA 2.251 54.337 52.037 0.081 0.000 0.601 85 A CB -0.908 18.129 19.000 0.061 0.000 0.966 85 A HN 1.668 nan 8.150 nan 0.000 0.471 86 G N -2.327 106.484 108.800 0.019 0.000 4.362 86 G HA2 0.322 4.282 3.960 -0.000 0.000 0.220 86 G HA3 0.322 4.282 3.960 -0.000 0.000 0.220 86 G C -0.379 174.478 174.900 -0.072 0.000 0.795 86 G CA 0.754 45.805 45.100 -0.082 0.000 0.920 86 G HN 0.788 nan 8.290 nan 0.000 0.715 87 D N -2.785 117.603 120.400 -0.020 0.000 2.970 87 D HA 0.520 5.160 4.640 -0.000 0.000 0.344 87 D C 1.211 177.517 176.300 0.010 0.000 1.365 87 D CA 1.099 55.092 54.000 -0.013 0.000 0.910 87 D CB 0.304 41.100 40.800 -0.006 0.000 1.445 87 D HN 1.190 nan 8.370 nan 0.000 0.532 88 G N -0.989 107.818 108.800 0.012 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 1.400 176.315 174.900 0.025 0.000 1.032 88 G CA 1.183 46.297 45.100 0.025 0.000 0.623 88 G HN 1.280 nan 8.290 nan 0.000 0.506 89 T N -0.646 113.918 114.554 0.017 0.000 2.653 89 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 89 T C 2.222 176.925 174.700 0.006 0.000 1.037 89 T CA 3.231 65.335 62.100 0.008 0.000 1.159 89 T CB -1.245 67.617 68.868 -0.011 0.000 0.859 89 T HN 0.705 nan 8.240 nan 0.000 0.449 90 T N 1.443 115.998 114.554 0.002 0.000 2.788 90 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 90 T C 2.239 176.943 174.700 0.006 0.000 1.044 90 T CA 1.818 63.919 62.100 0.001 0.000 1.139 90 T CB -0.850 68.017 68.868 -0.002 0.000 0.867 90 T HN 0.653 nan 8.240 nan 0.000 0.454 91 T N 2.105 116.665 114.554 0.011 0.000 2.732 91 T HA 0.085 4.435 4.350 -0.000 0.000 0.261 91 T C 2.502 177.215 174.700 0.021 0.000 1.040 91 T CA 0.942 63.051 62.100 0.014 0.000 1.145 91 T CB -0.712 68.166 68.868 0.017 0.000 0.866 91 T HN 0.408 nan 8.240 nan 0.000 0.427 92 A N 1.999 124.839 122.820 0.033 0.000 1.869 92 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 92 A C 2.567 180.169 177.584 0.031 0.000 1.203 92 A CA 2.594 54.659 52.037 0.047 0.000 0.638 92 A CB -1.673 17.366 19.000 0.066 0.000 0.831 92 A HN 0.484 nan 8.150 nan 0.000 0.450 93 T N -0.816 113.749 114.554 0.019 0.000 2.653 93 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 93 T C 1.820 176.525 174.700 0.009 0.000 1.035 93 T CA 1.790 63.896 62.100 0.010 0.000 1.154 93 T CB -0.671 68.199 68.868 0.003 0.000 0.862 93 T HN 0.399 nan 8.240 nan 0.000 0.441 94 V N 0.508 120.427 119.914 0.008 0.000 2.809 94 V HA 0.039 4.159 4.120 -0.000 0.000 0.256 94 V C 2.017 178.116 176.094 0.007 0.000 1.080 94 V CA 1.175 63.478 62.300 0.005 0.000 1.102 94 V CB -0.489 31.335 31.823 0.001 0.000 0.705 94 V HN 0.472 nan 8.190 nan 0.000 0.475 95 L N 0.042 121.272 121.223 0.012 0.000 2.007 95 L HA 0.040 4.380 4.340 -0.000 0.000 0.205 95 L C 2.878 179.757 176.870 0.015 0.000 1.073 95 L CA 1.517 56.366 54.840 0.014 0.000 0.744 95 L CB -0.942 41.130 42.059 0.021 0.000 0.898 95 L HN 0.388 nan 8.230 nan 0.000 0.435 96 A N -0.445 122.387 122.820 0.020 0.000 1.869 96 A HA -0.365 3.955 4.320 -0.000 0.000 0.218 96 A C 2.220 179.811 177.584 0.012 0.000 1.203 96 A CA 2.325 54.374 52.037 0.019 0.000 0.638 96 A CB -0.970 18.042 19.000 0.021 0.000 0.831 96 A HN 0.524 nan 8.150 nan 0.000 0.450 97 Q N -0.747 119.059 119.800 0.009 0.000 2.118 97 Q HA -0.296 4.044 4.340 -0.000 0.000 0.211 97 Q C 2.290 178.293 176.000 0.005 0.000 0.998 97 Q CA 2.436 58.242 55.803 0.006 0.000 0.872 97 Q CB -0.422 28.319 28.738 0.004 0.000 0.925 97 Q HN 0.656 nan 8.270 nan 0.000 0.414 98 A N 0.525 123.348 122.820 0.005 0.000 1.908 98 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 98 A C 1.996 179.582 177.584 0.004 0.000 1.181 98 A CA 1.682 53.721 52.037 0.003 0.000 0.627 98 A CB -0.683 18.319 19.000 0.003 0.000 0.818 98 A HN 0.480 nan 8.150 nan 0.000 0.445 99 I N -0.314 120.260 120.570 0.007 0.000 2.133 99 I HA -0.231 3.939 4.170 -0.000 0.000 0.238 99 I C 2.322 178.442 176.117 0.006 0.000 1.074 99 I CA 1.390 62.694 61.300 0.007 0.000 1.342 99 I CB -0.549 37.457 38.000 0.010 0.000 1.053 99 I HN 0.263 nan 8.210 nan 0.000 0.404 100 I N 0.902 121.476 120.570 0.006 0.000 2.185 100 I HA -0.323 3.847 4.170 -0.000 0.000 0.246 100 I C 2.592 178.711 176.117 0.003 0.000 1.088 100 I CA 1.890 63.193 61.300 0.005 0.000 1.347 100 I CB -0.989 37.014 38.000 0.005 0.000 1.041 100 I HN 0.329 nan 8.210 nan 0.000 0.415 101 T N -0.106 114.450 114.554 0.003 0.000 2.759 101 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 101 T C 1.782 176.483 174.700 0.002 0.000 1.042 101 T CA 1.227 63.329 62.100 0.002 0.000 1.140 101 T CB -0.144 68.725 68.868 0.002 0.000 0.864 101 T HN 0.311 nan 8.240 nan 0.000 0.455 102 E N 0.340 120.541 120.200 0.002 0.000 2.250 102 E HA 0.140 4.490 4.350 -0.000 0.000 0.192 102 E C 2.415 179.016 176.600 0.002 0.000 0.986 102 E CA 0.440 56.841 56.400 0.002 0.000 0.849 102 E CB -0.447 29.254 29.700 0.001 0.000 0.797 102 E HN 0.532 nan 8.360 nan 0.000 0.482 103 G N 1.732 110.533 108.800 0.002 0.000 2.505 103 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.214 103 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.214 103 G C 1.629 176.529 174.900 0.001 0.000 1.237 103 G CA 0.467 45.568 45.100 0.002 0.000 0.802 103 G HN 0.186 nan 8.290 nan 0.000 0.549 104 L N 0.317 121.540 121.223 0.001 0.000 2.261 104 L HA -0.066 4.274 4.340 -0.000 0.000 0.216 104 L C 2.730 179.600 176.870 0.001 0.000 1.114 104 L CA 1.235 56.075 54.840 0.000 0.000 0.777 104 L CB -0.350 41.709 42.059 -0.000 0.000 0.910 104 L HN 0.244 nan 8.230 nan 0.000 0.440 105 K N 0.221 120.622 120.400 0.001 0.000 2.288 105 K HA -0.082 4.238 4.320 -0.000 0.000 0.201 105 K C 2.064 178.665 176.600 0.001 0.000 1.048 105 K CA 0.922 57.209 56.287 0.001 0.000 0.956 105 K CB 0.114 32.615 32.500 0.001 0.000 0.746 105 K HN 0.302 nan 8.250 nan 0.000 0.461 106 A N 0.148 122.969 122.820 0.001 0.000 1.862 106 A HA -0.014 4.306 4.320 -0.000 0.000 0.211 106 A C 2.088 179.672 177.584 -0.000 0.000 1.220 106 A CA 0.730 52.767 52.037 0.000 0.000 0.616 106 A CB -0.623 18.377 19.000 0.000 0.000 0.878 106 A HN 0.062 nan 8.150 nan 0.000 0.453 107 V N 0.527 120.441 119.914 -0.000 0.000 2.233 107 V HA -0.364 3.756 4.120 -0.000 0.000 0.252 107 V C 2.963 179.056 176.094 -0.000 0.000 1.063 107 V CA 2.378 64.677 62.300 -0.001 0.000 1.032 107 V CB -1.299 30.523 31.823 -0.001 0.000 0.645 107 V HN 0.607 nan 8.190 nan 0.000 0.446 108 A N -0.684 122.136 122.820 0.000 0.000 2.225 108 A HA 0.113 4.433 4.320 -0.000 0.000 0.215 108 A C 2.138 179.723 177.584 0.002 0.000 1.164 108 A CA 1.549 53.587 52.037 0.002 0.000 0.710 108 A CB -0.516 18.485 19.000 0.003 0.000 0.780 108 A HN 0.651 nan 8.150 nan 0.000 0.473 109 A N -2.083 120.737 122.820 0.001 0.000 2.218 109 A HA 0.443 4.763 4.320 -0.000 0.000 0.209 109 A C 1.619 179.203 177.584 0.000 0.000 1.168 109 A CA 1.201 53.239 52.037 0.001 0.000 0.804 109 A CB -0.353 18.648 19.000 0.001 0.000 0.834 109 A HN 1.670 nan 8.150 nan 0.000 0.482 110 G N -2.010 106.790 108.800 -0.000 0.000 2.183 110 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.168 110 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.168 110 G C 0.076 174.974 174.900 -0.002 0.000 1.008 110 G CA 0.022 45.121 45.100 -0.001 0.000 0.677 110 G HN 0.281 nan 8.290 nan 0.000 0.498 111 M N 0.821 120.420 119.600 -0.002 0.000 2.359 111 M HA 0.369 4.849 4.480 -0.000 0.000 0.322 111 M C 0.539 176.837 176.300 -0.003 0.000 1.166 111 M CA -0.787 54.511 55.300 -0.002 0.000 1.067 111 M CB 0.811 33.410 32.600 -0.002 0.000 1.523 111 M HN 0.150 nan 8.290 nan 0.000 0.467 112 N N 1.746 120.444 118.700 -0.004 0.000 2.497 112 N HA 0.117 4.857 4.740 -0.000 0.000 0.268 112 N C -2.278 173.230 175.510 -0.004 0.000 1.171 112 N CA -1.236 51.811 53.050 -0.005 0.000 0.948 112 N CB 1.315 39.798 38.487 -0.005 0.000 1.069 112 N HN 0.252 nan 8.380 nan 0.000 0.460 113 P HA -0.041 nan 4.420 nan 0.000 0.213 113 P C 1.748 179.046 177.300 -0.004 0.000 1.170 113 P CA 1.151 64.249 63.100 -0.004 0.000 0.889 113 P CB 0.175 31.871 31.700 -0.006 0.000 0.782 114 M N -0.506 119.091 119.600 -0.005 0.000 2.260 114 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 114 M C 1.158 177.456 176.300 -0.003 0.000 1.066 114 M CA 1.664 56.962 55.300 -0.004 0.000 1.082 114 M CB -1.487 31.110 32.600 -0.006 0.000 1.388 114 M HN 0.008 nan 8.290 nan 0.000 0.419 115 D N -0.141 120.257 120.400 -0.003 0.000 2.144 115 D HA 0.030 4.670 4.640 -0.000 0.000 0.207 115 D C 2.225 178.525 176.300 -0.001 0.000 0.970 115 D CA 0.704 54.703 54.000 -0.002 0.000 0.853 115 D CB -0.201 40.597 40.800 -0.003 0.000 1.007 115 D HN 0.299 nan 8.370 nan 0.000 0.469 116 L N 1.036 122.258 121.223 -0.001 0.000 2.137 116 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 116 L C 2.448 179.319 176.870 0.001 0.000 1.085 116 L CA 1.197 56.037 54.840 -0.000 0.000 0.760 116 L CB -0.360 41.698 42.059 -0.000 0.000 0.893 116 L HN 0.042 nan 8.230 nan 0.000 0.434 117 K N 0.307 120.708 120.400 0.001 0.000 2.103 117 K HA -0.193 4.127 4.320 -0.000 0.000 0.204 117 K C 2.305 178.906 176.600 0.002 0.000 1.052 117 K CA 1.046 57.334 56.287 0.002 0.000 0.945 117 K CB 0.076 32.578 32.500 0.002 0.000 0.722 117 K HN 0.123 nan 8.250 nan 0.000 0.443 118 R N -0.165 120.335 120.500 0.000 0.000 2.057 118 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 118 R C 2.370 178.670 176.300 -0.000 0.000 1.136 118 R CA 1.591 57.691 56.100 -0.000 0.000 0.952 118 R CB -0.679 29.621 30.300 -0.001 0.000 0.848 118 R HN 0.380 nan 8.270 nan 0.000 0.430 119 G N 1.225 110.025 108.800 -0.000 0.000 2.556 119 G HA2 -0.315 3.646 3.960 -0.000 0.000 0.220 119 G HA3 -0.315 3.646 3.960 -0.000 0.000 0.220 119 G C 1.442 176.342 174.900 -0.000 0.000 1.156 119 G CA 1.316 46.415 45.100 -0.000 0.000 0.766 119 G HN 0.298 nan 8.290 nan 0.000 0.583 120 I N 0.624 121.194 120.570 0.001 0.000 2.179 120 I HA -0.131 4.039 4.170 -0.000 0.000 0.242 120 I C 2.276 178.393 176.117 0.000 0.000 1.088 120 I CA 1.350 62.651 61.300 0.001 0.000 1.357 120 I CB -0.194 37.808 38.000 0.003 0.000 1.051 120 I HN 0.092 nan 8.210 nan 0.000 0.409 121 D N 0.532 120.932 120.400 -0.000 0.000 2.218 121 D HA -0.185 4.455 4.640 -0.000 0.000 0.204 121 D C 2.016 178.313 176.300 -0.004 0.000 0.976 121 D CA 1.012 55.010 54.000 -0.002 0.000 0.853 121 D CB -0.013 40.786 40.800 -0.001 0.000 0.939 121 D HN 0.339 nan 8.370 nan 0.000 0.481 122 K N 0.833 121.232 120.400 -0.003 0.000 1.991 122 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 122 K C 2.133 178.731 176.600 -0.004 0.000 1.045 122 K CA 0.975 57.260 56.287 -0.003 0.000 0.937 122 K CB -0.044 32.454 32.500 -0.002 0.000 0.720 122 K HN -0.068 nan 8.250 nan 0.000 0.438 123 A N 0.844 123.662 122.820 -0.002 0.000 2.009 123 A HA -0.183 4.137 4.320 -0.000 0.000 0.222 123 A C 2.201 179.783 177.584 -0.003 0.000 1.175 123 A CA 1.994 54.030 52.037 -0.002 0.000 0.651 123 A CB -0.755 18.244 19.000 -0.000 0.000 0.815 123 A HN 0.224 nan 8.150 nan 0.000 0.459 124 V N -0.817 119.094 119.914 -0.005 0.000 2.256 124 V HA -0.181 3.939 4.120 -0.000 0.000 0.240 124 V C 2.666 178.753 176.094 -0.013 0.000 1.036 124 V CA 2.327 64.621 62.300 -0.009 0.000 1.008 124 V CB -1.255 30.561 31.823 -0.012 0.000 0.648 124 V HN 0.606 nan 8.190 nan 0.000 0.453 125 T N 0.655 115.201 114.554 -0.013 0.000 2.792 125 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 125 T C 1.830 176.523 174.700 -0.011 0.000 1.059 125 T CA 1.698 63.790 62.100 -0.014 0.000 1.136 125 T CB -0.410 68.451 68.868 -0.012 0.000 0.846 125 T HN 0.569 nan 8.240 nan 0.000 0.489 126 A N 1.353 124.168 122.820 -0.008 0.000 1.850 126 A HA 0.440 4.760 4.320 -0.000 0.000 0.212 126 A C 2.701 180.282 177.584 -0.005 0.000 1.208 126 A CA 1.251 53.285 52.037 -0.005 0.000 0.609 126 A CB -1.212 17.786 19.000 -0.003 0.000 0.860 126 A HN 0.482 nan 8.150 nan 0.000 0.448 127 A N -0.326 122.492 122.820 -0.004 0.000 2.024 127 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 127 A C 2.098 179.678 177.584 -0.006 0.000 1.164 127 A CA 1.800 53.836 52.037 -0.003 0.000 0.643 127 A CB -0.892 18.107 19.000 -0.002 0.000 0.806 127 A HN 0.432 nan 8.150 nan 0.000 0.451 128 V N -0.287 119.620 119.914 -0.011 0.000 2.594 128 V HA -0.243 3.877 4.120 -0.000 0.000 0.253 128 V C 2.270 178.357 176.094 -0.011 0.000 1.069 128 V CA 2.244 64.534 62.300 -0.016 0.000 1.082 128 V CB -0.722 31.086 31.823 -0.025 0.000 0.680 128 V HN 0.658 nan 8.190 nan 0.000 0.469 129 E N -0.235 119.960 120.200 -0.008 0.000 2.075 129 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 129 E C 2.179 178.778 176.600 -0.001 0.000 0.969 129 E CA 0.585 56.982 56.400 -0.005 0.000 0.815 129 E CB -0.102 29.596 29.700 -0.004 0.000 0.776 129 E HN 0.431 nan 8.360 nan 0.000 0.457 130 E N 0.972 121.172 120.200 0.000 0.000 2.273 130 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 130 E C 1.710 178.313 176.600 0.005 0.000 1.002 130 E CA 0.575 56.977 56.400 0.004 0.000 0.828 130 E CB -0.037 29.666 29.700 0.005 0.000 0.747 130 E HN 0.121 nan 8.360 nan 0.000 0.491 131 L N 0.226 121.450 121.223 0.003 0.000 2.162 131 L HA 0.020 4.360 4.340 -0.000 0.000 0.205 131 L C 1.675 178.547 176.870 0.004 0.000 1.086 131 L CA 1.320 56.162 54.840 0.004 0.000 0.778 131 L CB -0.018 42.041 42.059 0.000 0.000 0.928 131 L HN -0.077 nan 8.230 nan 0.000 0.446 132 K N -0.410 119.990 120.400 0.001 0.000 2.574 132 K HA -0.028 4.292 4.320 -0.000 0.000 0.193 132 K C 1.764 178.367 176.600 0.004 0.000 1.035 132 K CA 0.574 56.862 56.287 0.002 0.000 0.982 132 K CB -0.061 32.439 32.500 -0.001 0.000 0.795 132 K HN 0.443 nan 8.250 nan 0.000 0.491 133 A N 1.465 124.289 122.820 0.006 0.000 1.835 133 A HA -0.071 4.249 4.320 -0.000 0.000 0.213 133 A C 1.986 179.577 177.584 0.011 0.000 1.210 133 A CA 0.698 52.740 52.037 0.008 0.000 0.605 133 A CB -0.495 18.511 19.000 0.009 0.000 0.860 133 A HN 0.108 nan 8.150 nan 0.000 0.447 134 L N 0.470 121.701 121.223 0.013 0.000 2.081 134 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 134 L C 1.550 178.429 176.870 0.015 0.000 1.080 134 L CA 1.196 56.046 54.840 0.017 0.000 0.754 134 L CB -1.272 40.799 42.059 0.020 0.000 0.893 134 L HN 0.430 nan 8.230 nan 0.000 0.433 135 S N 0.418 116.125 115.700 0.012 0.000 3.074 135 S HA -0.005 4.465 4.470 -0.000 0.000 0.359 135 S C -0.132 174.474 174.600 0.011 0.000 1.207 135 S CA -0.276 57.930 58.200 0.011 0.000 1.061 135 S CB -0.099 63.105 63.200 0.008 0.000 0.769 135 S HN 0.076 nan 8.310 nan 0.000 0.512 136 V N 9.687 129.609 119.914 0.012 0.000 2.328 136 V HA 0.326 4.446 4.120 -0.000 0.000 0.278 136 V C -1.689 174.411 176.094 0.010 0.000 1.021 136 V CA -1.760 60.547 62.300 0.012 0.000 0.838 136 V CB 0.922 32.754 31.823 0.014 0.000 0.999 136 V HN 0.763 nan 8.190 nan 0.000 0.447 137 P HA -0.105 nan 4.420 nan 0.000 0.275 137 P C -0.179 177.125 177.300 0.007 0.000 1.227 137 P CA 0.140 63.244 63.100 0.007 0.000 0.808 137 P CB 0.308 32.012 31.700 0.006 0.000 0.858 138 C N 1.007 120.311 119.300 0.006 0.000 3.079 138 C HA 0.301 4.761 4.460 -0.000 0.000 0.246 138 C C 1.182 176.175 174.990 0.004 0.000 1.025 138 C CA 0.024 59.045 59.018 0.006 0.000 1.081 138 C CB -1.356 26.388 27.740 0.007 0.000 1.757 138 C HN 0.551 nan 8.230 nan 0.000 0.646 139 S N 0.615 116.317 115.700 0.003 0.000 2.527 139 S HA 0.085 4.555 4.470 -0.000 0.000 0.227 139 S C 0.362 174.963 174.600 0.001 0.000 1.059 139 S CA 0.176 58.377 58.200 0.002 0.000 0.919 139 S CB 0.047 63.248 63.200 0.002 0.000 0.805 139 S HN 0.921 nan 8.310 nan 0.000 0.500 140 D N 2.321 122.722 120.400 0.002 0.000 2.348 140 D HA 0.084 4.724 4.640 -0.000 0.000 0.253 140 D C 0.681 176.982 176.300 0.001 0.000 1.161 140 D CA 0.005 54.005 54.000 0.001 0.000 0.876 140 D CB 1.122 41.923 40.800 0.002 0.000 1.160 140 D HN 0.162 nan 8.370 nan 0.000 0.459 141 S N 1.667 117.368 115.700 0.000 0.000 2.559 141 S HA -0.244 4.226 4.470 -0.000 0.000 0.250 141 S C 1.355 175.955 174.600 0.001 0.000 0.977 141 S CA 0.715 58.915 58.200 -0.000 0.000 0.958 141 S CB -0.301 62.898 63.200 -0.001 0.000 0.751 141 S HN 0.659 nan 8.310 nan 0.000 0.534 142 K N 1.364 121.765 120.400 0.002 0.000 2.141 142 K HA 0.251 4.571 4.320 -0.000 0.000 0.202 142 K C 2.233 178.835 176.600 0.003 0.000 1.045 142 K CA 0.750 57.039 56.287 0.002 0.000 0.971 142 K CB -0.431 32.071 32.500 0.003 0.000 0.795 142 K HN 0.355 nan 8.250 nan 0.000 0.459 143 A N 1.294 124.116 122.820 0.004 0.000 2.014 143 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 143 A C 1.971 179.558 177.584 0.005 0.000 1.163 143 A CA 0.727 52.767 52.037 0.005 0.000 0.652 143 A CB -0.420 18.583 19.000 0.006 0.000 0.808 143 A HN 0.322 nan 8.150 nan 0.000 0.449 144 I N -0.345 120.227 120.570 0.004 0.000 2.286 144 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 144 I C 2.959 179.078 176.117 0.004 0.000 1.115 144 I CA 0.972 62.275 61.300 0.003 0.000 1.392 144 I CB -0.267 37.733 38.000 0.001 0.000 1.065 144 I HN 0.386 nan 8.210 nan 0.000 0.418 145 A N 0.362 123.184 122.820 0.003 0.000 1.858 145 A HA -0.278 4.042 4.320 -0.000 0.000 0.216 145 A C 2.203 179.790 177.584 0.005 0.000 1.190 145 A CA 1.635 53.675 52.037 0.004 0.000 0.617 145 A CB -0.725 18.277 19.000 0.003 0.000 0.827 145 A HN 0.467 nan 8.150 nan 0.000 0.443 146 Q N -0.512 119.291 119.800 0.005 0.000 2.152 146 Q HA -0.147 4.193 4.340 -0.000 0.000 0.206 146 Q C 2.124 178.129 176.000 0.008 0.000 0.985 146 Q CA 1.665 57.472 55.803 0.006 0.000 0.863 146 Q CB -0.477 28.265 28.738 0.007 0.000 0.904 146 Q HN 0.515 nan 8.270 nan 0.000 0.422 147 V N 0.357 120.276 119.914 0.009 0.000 2.221 147 V HA -0.190 3.930 4.120 -0.000 0.000 0.242 147 V C 2.298 178.400 176.094 0.012 0.000 1.041 147 V CA 2.074 64.380 62.300 0.011 0.000 0.995 147 V CB -1.292 30.539 31.823 0.012 0.000 0.635 147 V HN 0.552 nan 8.190 nan 0.000 0.448 148 G N -0.674 108.133 108.800 0.011 0.000 2.503 148 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.221 148 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.221 148 G C 1.647 176.553 174.900 0.011 0.000 1.131 148 G CA 1.796 46.904 45.100 0.012 0.000 0.756 148 G HN 0.485 nan 8.290 nan 0.000 0.572 149 T N 0.972 115.531 114.554 0.009 0.000 2.821 149 T HA 0.011 4.361 4.350 -0.000 0.000 0.267 149 T C 2.295 176.999 174.700 0.008 0.000 1.046 149 T CA 0.872 62.976 62.100 0.007 0.000 1.139 149 T CB -0.092 68.779 68.868 0.006 0.000 0.871 149 T HN 0.327 nan 8.240 nan 0.000 0.454 150 I N 0.642 121.217 120.570 0.009 0.000 2.876 150 I HA 0.007 4.177 4.170 -0.000 0.000 0.264 150 I C 2.124 178.247 176.117 0.010 0.000 1.204 150 I CA 0.519 61.824 61.300 0.008 0.000 1.485 150 I CB -0.072 37.934 38.000 0.009 0.000 1.103 150 I HN 0.108 nan 8.210 nan 0.000 0.446 151 S N 0.836 116.544 115.700 0.013 0.000 2.527 151 S HA 0.146 4.616 4.470 -0.000 0.000 0.222 151 S C 1.677 176.286 174.600 0.015 0.000 0.985 151 S CA 0.728 58.938 58.200 0.017 0.000 0.921 151 S CB 0.143 63.358 63.200 0.024 0.000 0.772 151 S HN 0.479 nan 8.310 nan 0.000 0.529 152 A N 1.340 124.168 122.820 0.012 0.000 2.500 152 A HA 0.442 4.762 4.320 -0.000 0.000 0.267 152 A C 0.565 178.153 177.584 0.007 0.000 1.290 152 A CA -0.365 51.679 52.037 0.011 0.000 0.928 152 A CB -0.413 18.594 19.000 0.010 0.000 1.066 152 A HN 0.370 nan 8.150 nan 0.000 0.516 153 N N -0.256 118.448 118.700 0.006 0.000 2.746 153 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 153 N C 0.209 175.720 175.510 0.003 0.000 1.055 153 N CA 1.041 54.093 53.050 0.004 0.000 0.699 153 N CB -1.859 36.630 38.487 0.003 0.000 0.919 153 N HN 0.509 nan 8.380 nan 0.000 0.548 154 S N -1.546 114.155 115.700 0.003 0.000 3.490 154 S HA -0.233 4.237 4.470 -0.000 0.000 0.301 154 S C -0.358 174.244 174.600 0.003 0.000 1.233 154 S CA 0.840 59.041 58.200 0.002 0.000 0.914 154 S CB -1.028 62.172 63.200 0.000 0.000 1.047 154 S HN 0.767 nan 8.310 nan 0.000 0.602 155 D N 1.360 121.762 120.400 0.004 0.000 2.441 155 D HA 0.219 4.859 4.640 -0.000 0.000 0.221 155 D C 1.131 177.433 176.300 0.004 0.000 1.156 155 D CA -0.265 53.737 54.000 0.003 0.000 0.896 155 D CB 0.496 41.298 40.800 0.004 0.000 1.028 155 D HN 0.475 nan 8.370 nan 0.000 0.509 156 E N 1.352 121.554 120.200 0.003 0.000 2.130 156 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 156 E C 1.521 178.123 176.600 0.003 0.000 0.998 156 E CA 1.290 57.692 56.400 0.003 0.000 0.806 156 E CB 0.148 29.850 29.700 0.002 0.000 0.738 156 E HN 0.499 nan 8.360 nan 0.000 0.459 157 T N 1.037 115.592 114.554 0.002 0.000 2.699 157 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 157 T C 2.104 176.805 174.700 0.003 0.000 1.036 157 T CA 1.472 63.573 62.100 0.002 0.000 1.147 157 T CB -0.324 68.545 68.868 0.002 0.000 0.862 157 T HN 0.002 nan 8.240 nan 0.000 0.446 158 V N 1.496 121.412 119.914 0.004 0.000 2.216 158 V HA -0.103 4.017 4.120 -0.000 0.000 0.243 158 V C 2.929 179.025 176.094 0.004 0.000 1.044 158 V CA 2.009 64.312 62.300 0.005 0.000 0.995 158 V CB -1.638 30.189 31.823 0.007 0.000 0.633 158 V HN 0.578 nan 8.190 nan 0.000 0.446 159 G N 0.015 108.818 108.800 0.005 0.000 2.663 159 G HA2 -0.447 3.513 3.960 -0.000 0.000 0.222 159 G HA3 -0.447 3.513 3.960 -0.000 0.000 0.222 159 G C 1.633 176.534 174.900 0.002 0.000 1.146 159 G CA 1.788 46.891 45.100 0.004 0.000 0.764 159 G HN 0.541 nan 8.290 nan 0.000 0.608 160 K N 0.067 120.468 120.400 0.002 0.000 2.002 160 K HA 0.012 4.332 4.320 -0.000 0.000 0.209 160 K C 2.638 179.237 176.600 -0.001 0.000 1.048 160 K CA 1.205 57.492 56.287 0.000 0.000 0.930 160 K CB -0.382 32.118 32.500 0.000 0.000 0.714 160 K HN 0.351 nan 8.250 nan 0.000 0.438 161 L N 1.126 122.348 121.223 -0.001 0.000 2.034 161 L HA -0.293 4.047 4.340 -0.000 0.000 0.217 161 L C 2.503 179.371 176.870 -0.004 0.000 1.077 161 L CA 1.648 56.487 54.840 -0.002 0.000 0.769 161 L CB -0.416 41.643 42.059 -0.001 0.000 0.890 161 L HN 0.330 nan 8.230 nan 0.000 0.435 162 I N -0.791 119.777 120.570 -0.003 0.000 2.090 162 I HA -0.336 3.834 4.170 -0.000 0.000 0.236 162 I C 2.810 178.923 176.117 -0.006 0.000 1.064 162 I CA 1.300 62.597 61.300 -0.006 0.000 1.324 162 I CB -0.665 37.333 38.000 -0.003 0.000 1.044 162 I HN 0.256 nan 8.210 nan 0.000 0.399 163 A N 0.594 123.411 122.820 -0.004 0.000 1.915 163 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 163 A C 2.183 179.764 177.584 -0.005 0.000 1.198 163 A CA 2.296 54.331 52.037 -0.004 0.000 0.647 163 A CB -0.890 18.109 19.000 -0.002 0.000 0.825 163 A HN 0.548 nan 8.150 nan 0.000 0.456 164 E N -0.631 119.566 120.200 -0.004 0.000 2.153 164 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 164 E C 2.313 178.909 176.600 -0.007 0.000 0.988 164 E CA 0.860 57.257 56.400 -0.005 0.000 0.811 164 E CB -0.277 29.421 29.700 -0.004 0.000 0.746 164 E HN 0.675 nan 8.360 nan 0.000 0.466 165 A N 1.274 124.089 122.820 -0.008 0.000 1.854 165 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 165 A C 2.177 179.754 177.584 -0.013 0.000 1.192 165 A CA 1.125 53.155 52.037 -0.011 0.000 0.611 165 A CB -0.402 18.589 19.000 -0.014 0.000 0.832 165 A HN 0.104 nan 8.150 nan 0.000 0.442 166 M N -0.836 118.756 119.600 -0.013 0.000 2.213 166 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 166 M C 1.370 177.664 176.300 -0.010 0.000 1.062 166 M CA 1.722 57.014 55.300 -0.013 0.000 1.105 166 M CB -0.581 32.012 32.600 -0.012 0.000 1.385 166 M HN 0.358 nan 8.290 nan 0.000 0.417 167 D N 0.297 120.692 120.400 -0.008 0.000 2.378 167 D HA -0.060 4.580 4.640 -0.000 0.000 0.227 167 D C 1.788 178.084 176.300 -0.007 0.000 1.012 167 D CA 0.752 54.748 54.000 -0.006 0.000 0.905 167 D CB 0.306 41.103 40.800 -0.005 0.000 0.895 167 D HN 0.039 nan 8.370 nan 0.000 0.532 168 K N -0.686 119.709 120.400 -0.008 0.000 2.399 168 K HA 0.116 4.436 4.320 -0.000 0.000 0.196 168 K C 0.867 177.461 176.600 -0.009 0.000 1.103 168 K CA 0.447 56.729 56.287 -0.008 0.000 0.986 168 K CB 1.533 34.028 32.500 -0.008 0.000 0.952 168 K HN 0.149 nan 8.250 nan 0.000 0.541 169 V N -2.958 116.950 119.914 -0.010 0.000 3.261 169 V HA 0.439 4.559 4.120 -0.000 0.000 0.330 169 V C 0.256 176.344 176.094 -0.011 0.000 1.461 169 V CA -0.201 62.093 62.300 -0.011 0.000 1.127 169 V CB 0.081 31.896 31.823 -0.014 0.000 1.044 169 V HN 0.220 nan 8.190 nan 0.000 0.499 170 G N 2.533 111.327 108.800 -0.010 0.000 2.750 170 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.686 170 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.686 170 G C 0.272 175.165 174.900 -0.012 0.000 1.395 170 G CA 0.008 45.102 45.100 -0.010 0.000 0.918 170 G HN 0.790 nan 8.290 nan 0.000 0.594 171 K N 0.336 120.730 120.400 -0.011 0.000 2.633 171 K HA -0.025 4.295 4.320 -0.000 0.000 0.193 171 K C 0.631 177.222 176.600 -0.014 0.000 1.033 171 K CA 1.393 57.673 56.287 -0.012 0.000 0.980 171 K CB 0.378 32.873 32.500 -0.009 0.000 0.800 171 K HN 0.522 nan 8.250 nan 0.000 0.493 172 E N 1.082 121.273 120.200 -0.014 0.000 2.624 172 E HA 0.123 4.473 4.350 -0.000 0.000 0.210 172 E C 0.436 177.026 176.600 -0.016 0.000 0.997 172 E CA -0.096 56.295 56.400 -0.014 0.000 0.999 172 E CB 1.173 30.867 29.700 -0.009 0.000 1.040 172 E HN 0.412 nan 8.360 nan 0.000 0.469 173 G N 0.428 109.216 108.800 -0.020 0.000 2.568 173 G HA2 0.435 4.395 3.960 -0.000 0.000 0.293 173 G HA3 0.435 4.395 3.960 -0.000 0.000 0.293 173 G C -0.052 174.830 174.900 -0.030 0.000 1.347 173 G CA -0.426 44.661 45.100 -0.021 0.000 1.039 173 G HN -0.035 nan 8.290 nan 0.000 0.523 174 V N 0.005 119.902 119.914 -0.030 0.000 2.481 174 V HA 0.582 4.702 4.120 -0.000 0.000 0.286 174 V C -0.111 175.959 176.094 -0.041 0.000 1.042 174 V CA -0.372 61.904 62.300 -0.039 0.000 0.928 174 V CB 0.957 32.759 31.823 -0.035 0.000 0.986 174 V HN 0.486 nan 8.190 nan 0.000 0.462 175 I N 3.015 123.553 120.570 -0.053 0.000 2.571 175 I HA 0.508 4.678 4.170 -0.000 0.000 0.289 175 I C -0.415 175.671 176.117 -0.052 0.000 1.115 175 I CA -0.149 61.122 61.300 -0.048 0.000 1.045 175 I CB 2.488 40.457 38.000 -0.051 0.000 1.238 175 I HN 0.619 nan 8.210 nan 0.000 0.424 176 T N 4.576 119.107 114.554 -0.038 0.000 2.907 176 T HA 0.595 4.945 4.350 -0.000 0.000 0.292 176 T C -0.487 174.201 174.700 -0.020 0.000 1.043 176 T CA -0.722 61.359 62.100 -0.032 0.000 1.003 176 T CB 2.484 71.334 68.868 -0.031 0.000 1.084 176 T HN 0.382 nan 8.240 nan 0.000 0.483 177 V N 0.114 120.021 119.914 -0.012 0.000 2.378 177 V HA 0.635 4.755 4.120 -0.000 0.000 0.288 177 V C -0.167 175.925 176.094 -0.002 0.000 1.016 177 V CA -0.815 61.482 62.300 -0.005 0.000 0.840 177 V CB 0.959 32.785 31.823 0.004 0.000 0.994 177 V HN 0.862 nan 8.190 nan 0.000 0.431 178 E N 2.584 122.782 120.200 -0.004 0.000 2.961 178 E HA 0.421 4.771 4.350 -0.000 0.000 0.254 178 E C -0.918 175.682 176.600 0.000 0.000 1.192 178 E CA -0.927 55.471 56.400 -0.003 0.000 1.069 178 E CB 0.811 30.507 29.700 -0.006 0.000 1.338 178 E HN 0.762 nan 8.360 nan 0.000 0.596 179 D N -0.118 120.282 120.400 -0.000 0.000 2.229 179 D HA 0.281 4.921 4.640 -0.000 0.000 0.249 179 D C -0.135 176.165 176.300 -0.000 0.000 1.027 179 D CA -0.221 53.780 54.000 0.001 0.000 0.923 179 D CB 1.489 42.290 40.800 0.002 0.000 1.174 179 D HN 0.441 nan 8.370 nan 0.000 0.443 180 G N -0.890 107.911 108.800 0.001 0.000 2.539 180 G HA2 0.283 4.243 3.960 -0.000 0.000 0.258 180 G HA3 0.283 4.243 3.960 -0.000 0.000 0.258 180 G C 0.846 175.745 174.900 -0.001 0.000 1.202 180 G CA -0.299 44.800 45.100 -0.000 0.000 0.851 180 G HN 0.451 nan 8.290 nan 0.000 0.556 181 T N -2.763 111.790 114.554 -0.001 0.000 3.069 181 T HA 0.469 4.819 4.350 -0.000 0.000 0.252 181 T C 0.978 175.678 174.700 -0.001 0.000 1.053 181 T CA 0.529 62.628 62.100 -0.002 0.000 0.964 181 T CB 0.350 69.216 68.868 -0.003 0.000 1.005 181 T HN 2.008 nan 8.240 nan 0.000 0.532 182 G N 2.002 110.802 108.800 -0.000 0.000 2.314 182 G HA2 0.309 4.269 3.960 -0.000 0.000 0.286 182 G HA3 0.309 4.269 3.960 -0.000 0.000 0.286 182 G C -0.572 174.328 174.900 -0.000 0.000 1.270 182 G CA -0.611 44.489 45.100 -0.000 0.000 1.277 182 G HN 0.625 nan 8.290 nan 0.000 0.635 183 L N -0.029 121.194 121.223 0.000 0.000 0.611 183 L HA -0.184 4.156 4.340 -0.000 0.000 0.356 183 L C 0.473 177.343 176.870 -0.000 0.000 1.007 183 L CA 2.320 57.160 54.840 0.000 0.000 1.222 183 L CB -0.324 41.736 42.059 0.000 0.000 0.016 183 L HN 1.791 nan 8.230 nan 0.000 0.101 184 Q N 1.540 121.340 119.800 -0.000 0.000 2.667 184 Q HA -0.125 4.215 4.340 -0.000 0.000 0.210 184 Q C -0.601 175.399 176.000 -0.001 0.000 1.417 184 Q CA 1.034 56.837 55.803 -0.000 0.000 0.607 184 Q CB -0.595 28.142 28.738 -0.001 0.000 0.739 184 Q HN 0.597 nan 8.270 nan 0.000 0.315 185 D N 3.323 123.723 120.400 -0.001 0.000 2.455 185 D HA 0.034 4.674 4.640 -0.000 0.000 0.241 185 D C 0.305 176.604 176.300 -0.002 0.000 1.138 185 D CA 0.772 54.772 54.000 -0.001 0.000 0.877 185 D CB 0.717 41.517 40.800 -0.001 0.000 1.187 185 D HN 0.309 nan 8.370 nan 0.000 0.451 186 E N 0.294 120.492 120.200 -0.003 0.000 2.244 186 E HA 0.596 4.946 4.350 -0.000 0.000 0.266 186 E C -0.916 175.682 176.600 -0.005 0.000 0.914 186 E CA -0.988 55.409 56.400 -0.004 0.000 0.794 186 E CB 2.278 31.976 29.700 -0.004 0.000 1.210 186 E HN 0.121 nan 8.360 nan 0.000 0.414 187 L N 2.837 124.057 121.223 -0.005 0.000 2.543 187 L HA 0.412 4.752 4.340 -0.000 0.000 0.265 187 L C -2.174 174.692 176.870 -0.007 0.000 0.945 187 L CA -0.251 54.585 54.840 -0.006 0.000 0.869 187 L CB 1.746 43.802 42.059 -0.006 0.000 1.294 187 L HN 0.612 nan 8.230 nan 0.000 0.405 188 D N 3.476 123.872 120.400 -0.008 0.000 2.622 188 D HA 0.445 5.085 4.640 -0.000 0.000 0.255 188 D C -1.366 174.928 176.300 -0.009 0.000 1.246 188 D CA -0.422 53.574 54.000 -0.008 0.000 0.795 188 D CB 2.078 42.873 40.800 -0.007 0.000 1.369 188 D HN 0.299 nan 8.370 nan 0.000 0.425 189 V N 0.252 120.161 119.914 -0.008 0.000 2.435 189 V HA 0.592 4.712 4.120 -0.000 0.000 0.290 189 V C 0.337 176.426 176.094 -0.008 0.000 1.030 189 V CA -0.661 61.633 62.300 -0.009 0.000 0.881 189 V CB 1.241 33.060 31.823 -0.008 0.000 0.983 189 V HN 0.607 nan 8.190 nan 0.000 0.445 190 V N 1.217 121.126 119.914 -0.009 0.000 2.962 190 V HA 0.655 4.775 4.120 -0.000 0.000 0.313 190 V C -0.339 175.751 176.094 -0.006 0.000 1.099 190 V CA -1.013 61.282 62.300 -0.008 0.000 0.971 190 V CB 2.193 34.010 31.823 -0.010 0.000 1.028 190 V HN 0.708 nan 8.190 nan 0.000 0.430 191 E N 2.403 122.601 120.200 -0.004 0.000 2.341 191 E HA 0.477 4.827 4.350 -0.000 0.000 0.256 191 E C 0.347 176.947 176.600 0.001 0.000 1.125 191 E CA 0.838 57.238 56.400 -0.000 0.000 0.939 191 E CB 0.794 30.495 29.700 0.002 0.000 0.991 191 E HN 1.104 nan 8.360 nan 0.000 0.458 192 G N 1.684 110.486 108.800 0.003 0.000 2.911 192 G HA2 0.746 4.706 3.960 -0.000 0.000 0.299 192 G HA3 0.746 4.706 3.960 -0.000 0.000 0.299 192 G C -0.937 173.973 174.900 0.017 0.000 1.283 192 G CA -0.552 44.551 45.100 0.006 0.000 0.805 192 G HN 0.417 nan 8.290 nan 0.000 0.548 193 M N -0.880 118.731 119.600 0.018 0.000 2.895 193 M HA 0.528 5.008 4.480 -0.000 0.000 0.271 193 M C -2.460 173.844 176.300 0.007 0.000 1.174 193 M CA -0.624 54.701 55.300 0.042 0.000 0.816 193 M CB 2.376 35.036 32.600 0.101 0.000 1.647 193 M HN 0.638 nan 8.290 nan 0.000 0.506 194 Q N 2.713 122.527 119.800 0.024 0.000 2.280 194 Q HA 0.547 4.887 4.340 -0.000 0.000 0.259 194 Q C -2.257 173.751 176.000 0.014 0.000 0.964 194 Q CA -0.520 55.227 55.803 -0.093 0.000 0.844 194 Q CB 1.879 30.560 28.738 -0.095 0.000 1.334 194 Q HN 0.585 nan 8.270 nan 0.000 0.423 195 F N -0.038 119.904 119.950 -0.012 0.000 2.579 195 F HA 0.548 5.075 4.527 -0.000 0.000 0.324 195 F C 0.103 175.897 175.800 -0.010 0.000 1.058 195 F CA -1.138 56.857 58.000 -0.008 0.000 0.944 195 F CB 0.978 39.976 39.000 -0.003 0.000 1.245 195 F HN 0.286 nan 8.300 nan 0.000 0.477 196 D N 2.393 122.926 120.400 0.222 0.000 2.982 196 D HA 0.091 4.731 4.640 -0.000 0.000 0.238 196 D C -0.165 176.217 176.300 0.137 0.000 1.168 196 D CA 0.345 54.414 54.000 0.115 0.000 0.947 196 D CB -0.050 40.804 40.800 0.089 0.000 1.147 196 D HN 0.239 nan 8.370 nan 0.000 0.450 197 R N -0.040 120.566 120.500 0.177 0.000 2.670 197 R HA 0.597 4.937 4.340 -0.000 0.000 0.289 197 R C 0.377 176.685 176.300 0.014 0.000 0.965 197 R CA -0.718 55.478 56.100 0.160 0.000 0.899 197 R CB 2.173 32.687 30.300 0.356 0.000 1.173 197 R HN 0.098 nan 8.270 nan 0.000 0.456 198 G N 0.848 109.625 108.800 -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 -0.760 174.099 174.900 -0.068 0.000 1.259 198 G CA -0.564 44.426 45.100 -0.184 0.000 1.019 198 G HN 0.433 nan 8.290 nan 0.000 0.496 199 Y N -0.833 119.488 120.300 0.036 0.000 2.550 199 Y HA 0.277 4.827 4.550 -0.000 0.000 0.343 199 Y C 1.354 177.318 175.900 0.107 0.000 1.245 199 Y CA -1.044 57.090 58.100 0.056 0.000 1.462 199 Y CB 0.193 38.724 38.460 0.118 0.000 1.340 199 Y HN 0.213 nan 8.280 nan 0.000 0.604 200 L N 1.241 122.709 121.223 0.408 0.000 2.240 200 L HA 0.053 4.393 4.340 -0.000 0.000 0.211 200 L C 0.517 177.595 176.870 0.347 0.000 1.106 200 L CA 1.180 56.222 54.840 0.338 0.000 0.793 200 L CB -0.452 41.776 42.059 0.281 0.000 0.927 200 L HN 0.839 nan 8.230 nan 0.000 0.446 201 S N -3.106 112.822 115.700 0.381 0.000 2.537 201 S HA 0.486 4.956 4.470 -0.000 0.000 0.271 201 S C -2.751 171.698 174.600 -0.251 0.000 1.148 201 S CA -1.205 57.038 58.200 0.073 0.000 0.868 201 S CB 2.053 65.277 63.200 0.039 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 0.260 177.246 177.300 -0.522 0.000 1.427 202 P CA 0.558 63.179 63.100 -0.798 0.000 0.820 202 P CB -0.156 31.076 31.700 -0.779 0.000 1.894 203 Y N -4.554 115.572 120.300 -0.290 0.000 2.843 203 Y HA -0.313 4.237 4.550 -0.000 0.000 0.492 203 Y C 1.962 177.739 175.900 -0.205 0.000 1.055 203 Y CA 1.478 59.419 58.100 -0.264 0.000 2.997 203 Y CB -3.172 35.077 38.460 -0.352 0.000 0.837 203 Y HN 0.081 nan 8.280 nan 0.000 0.553 204 F N 0.467 120.428 119.950 0.018 0.000 2.236 204 F HA -0.127 4.400 4.527 -0.000 0.000 0.302 204 F C 1.503 177.304 175.800 0.001 0.000 1.073 204 F CA 0.983 58.991 58.000 0.013 0.000 1.336 204 F CB -0.755 38.248 39.000 0.005 0.000 1.040 204 F HN -0.009 nan 8.300 nan 0.000 0.507 205 I N 2.495 123.136 120.570 0.118 0.000 2.943 205 I HA -0.222 3.948 4.170 -0.000 0.000 0.296 205 I C 0.760 176.923 176.117 0.076 0.000 1.220 205 I CA 0.524 61.865 61.300 0.069 0.000 1.409 205 I CB -0.123 37.868 38.000 -0.016 0.000 1.374 205 I HN 0.236 nan 8.210 nan 0.000 0.545 206 N N 4.862 123.611 118.700 0.081 0.000 2.184 206 N HA 0.070 4.810 4.740 -0.000 0.000 0.206 206 N C -0.021 175.519 175.510 0.050 0.000 1.151 206 N CA -0.131 52.958 53.050 0.065 0.000 0.878 206 N CB 0.481 39.008 38.487 0.068 0.000 1.014 206 N HN 0.484 nan 8.380 nan 0.000 0.512 207 K N 1.126 121.556 120.400 0.051 0.000 2.920 207 K HA 0.244 4.564 4.320 -0.000 0.000 0.175 207 K C -2.162 174.462 176.600 0.040 0.000 1.099 207 K CA -1.547 54.764 56.287 0.041 0.000 0.939 207 K CB 1.902 34.426 32.500 0.040 0.000 1.148 207 K HN -0.002 nan 8.250 nan 0.000 0.613 208 P HA -0.172 nan 4.420 nan 0.000 0.231 208 P C 0.203 177.517 177.300 0.022 0.000 1.154 208 P CA 1.085 64.200 63.100 0.025 0.000 0.762 208 P CB 0.506 32.218 31.700 0.020 0.000 0.790 209 E N -0.135 120.079 120.200 0.024 0.000 2.016 209 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 209 E C 2.066 178.678 176.600 0.020 0.000 0.985 209 E CA 1.699 58.111 56.400 0.019 0.000 0.802 209 E CB -0.929 28.782 29.700 0.018 0.000 0.762 209 E HN 0.197 nan 8.360 nan 0.000 0.448 210 T N -1.276 113.295 114.554 0.028 0.000 2.942 210 T HA 0.109 4.459 4.350 -0.000 0.000 0.265 210 T C 1.356 176.083 174.700 0.044 0.000 1.062 210 T CA 0.916 63.036 62.100 0.033 0.000 1.139 210 T CB 0.004 68.897 68.868 0.041 0.000 0.883 210 T HN 0.421 nan 8.240 nan 0.000 0.468 211 G N 1.073 109.907 108.800 0.056 0.000 2.130 211 G HA2 0.106 4.066 3.960 -0.000 0.000 0.216 211 G HA3 0.106 4.066 3.960 -0.000 0.000 0.216 211 G C 0.036 175.024 174.900 0.146 0.000 0.999 211 G CA -0.054 45.094 45.100 0.080 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.528 121.367 122.820 0.125 0.000 2.486 212 A HA 0.990 5.310 4.320 -0.000 0.000 0.277 212 A C -0.266 177.399 177.584 0.134 0.000 1.282 212 A CA -0.141 51.995 52.037 0.165 0.000 0.784 212 A CB 1.639 20.703 19.000 0.107 0.000 1.350 212 A HN 1.245 nan 8.150 nan 0.000 0.454 213 V N 0.218 120.214 119.914 0.137 0.000 2.769 213 V HA 0.669 4.789 4.120 -0.000 0.000 0.312 213 V C -0.312 175.819 176.094 0.061 0.000 1.058 213 V CA -0.426 61.938 62.300 0.106 0.000 0.952 213 V CB 1.635 33.533 31.823 0.125 0.000 1.019 213 V HN 0.911 nan 8.190 nan 0.000 0.445 214 E N 2.763 122.992 120.200 0.049 0.000 2.291 214 E HA 0.615 4.965 4.350 -0.000 0.000 0.276 214 E C -2.028 174.586 176.600 0.023 0.000 0.896 214 E CA -0.541 55.875 56.400 0.027 0.000 0.774 214 E CB 1.707 31.421 29.700 0.024 0.000 1.227 214 E HN 0.623 nan 8.360 nan 0.000 0.413 215 L N 3.391 124.620 121.223 0.010 0.000 2.381 215 L HA 0.522 4.862 4.340 -0.000 0.000 0.274 215 L C -0.432 176.431 176.870 -0.011 0.000 0.988 215 L CA -0.872 53.972 54.840 0.006 0.000 0.824 215 L CB 2.001 44.064 42.059 0.008 0.000 1.263 215 L HN 0.476 nan 8.230 nan 0.000 0.410 216 E N 1.482 121.672 120.200 -0.015 0.000 2.156 216 E HA 0.303 4.653 4.350 -0.000 0.000 0.279 216 E C -0.153 176.412 176.600 -0.059 0.000 0.965 216 E CA -0.542 55.840 56.400 -0.031 0.000 0.789 216 E CB 1.572 31.259 29.700 -0.022 0.000 1.098 216 E HN 0.634 nan 8.360 nan 0.000 0.397 217 S N 1.716 117.367 115.700 -0.081 0.000 3.614 217 S HA -0.124 4.346 4.470 -0.000 0.000 0.360 217 S C -2.036 172.433 174.600 -0.218 0.000 1.023 217 S CA 0.407 58.523 58.200 -0.140 0.000 1.114 217 S CB -1.339 61.782 63.200 -0.132 0.000 0.907 217 S HN 0.513 nan 8.310 nan 0.000 0.470 218 P HA 0.549 nan 4.420 nan 0.000 0.279 218 P C -0.117 177.053 177.300 -0.216 0.000 1.276 218 P CA -0.602 62.410 63.100 -0.146 0.000 0.801 218 P CB 0.539 32.221 31.700 -0.030 0.000 1.127 219 F N -0.553 119.403 119.950 0.011 0.000 2.432 219 F HA 0.478 5.005 4.527 -0.000 0.000 0.329 219 F C 0.735 176.542 175.800 0.012 0.000 1.076 219 F CA -0.455 57.552 58.000 0.012 0.000 1.018 219 F CB 0.906 39.913 39.000 0.012 0.000 1.201 219 F HN 0.045 nan 8.300 nan 0.000 0.489 220 I N 3.142 123.855 120.570 0.238 0.000 2.569 220 I HA 0.387 4.557 4.170 -0.000 0.000 0.296 220 I C -1.424 174.756 176.117 0.105 0.000 1.028 220 I CA -1.115 60.266 61.300 0.134 0.000 1.082 220 I CB 2.078 40.138 38.000 0.100 0.000 1.264 220 I HN 0.233 nan 8.210 nan 0.000 0.429 221 L N 6.896 128.162 121.223 0.071 0.000 2.280 221 L HA 0.524 4.864 4.340 -0.000 0.000 0.287 221 L C -1.079 175.810 176.870 0.033 0.000 1.023 221 L CA -0.189 54.677 54.840 0.043 0.000 0.819 221 L CB 0.973 43.051 42.059 0.031 0.000 1.212 221 L HN 0.474 nan 8.230 nan 0.000 0.420 222 L N 6.150 127.387 121.223 0.024 0.000 2.301 222 L HA 0.795 5.135 4.340 -0.000 0.000 0.278 222 L C -0.282 176.590 176.870 0.004 0.000 1.022 222 L CA -0.423 54.423 54.840 0.011 0.000 0.854 222 L CB 1.169 43.233 42.059 0.010 0.000 1.226 222 L HN 0.779 nan 8.230 nan 0.000 0.429 223 A N 1.835 124.656 122.820 0.002 0.000 2.381 223 A HA 0.445 4.765 4.320 -0.000 0.000 0.299 223 A C -1.069 176.514 177.584 -0.001 0.000 1.049 223 A CA -0.585 51.452 52.037 0.001 0.000 0.715 223 A CB 1.473 20.477 19.000 0.005 0.000 1.222 223 A HN 0.639 nan 8.150 nan 0.000 0.428 224 D N 2.505 122.903 120.400 -0.004 0.000 2.422 224 D HA 0.488 5.128 4.640 -0.000 0.000 0.227 224 D C -0.054 176.249 176.300 0.004 0.000 1.190 224 D CA 0.411 54.409 54.000 -0.003 0.000 0.905 224 D CB -0.284 40.512 40.800 -0.008 0.000 1.034 224 D HN 0.704 nan 8.370 nan 0.000 0.507 225 K N 0.725 121.130 120.400 0.008 0.000 3.663 225 K HA 0.132 4.452 4.320 -0.000 0.000 0.413 225 K C -1.414 175.197 176.600 0.018 0.000 1.089 225 K CA -1.131 55.163 56.287 0.013 0.000 0.860 225 K CB 0.252 32.759 32.500 0.012 0.000 1.492 225 K HN 0.024 nan 8.250 nan 0.000 0.517 226 K N 0.870 121.283 120.400 0.021 0.000 2.098 226 K HA 0.516 4.836 4.320 -0.000 0.000 0.261 226 K C -0.509 176.106 176.600 0.025 0.000 0.987 226 K CA -0.637 55.665 56.287 0.026 0.000 0.916 226 K CB 0.903 33.419 32.500 0.026 0.000 1.039 226 K HN 0.378 nan 8.250 nan 0.000 0.455 227 I N 1.688 122.277 120.570 0.031 0.000 2.439 227 I HA 0.100 4.270 4.170 -0.000 0.000 0.283 227 I C 0.156 176.294 176.117 0.035 0.000 1.023 227 I CA -0.107 61.212 61.300 0.031 0.000 1.100 227 I CB 1.904 39.924 38.000 0.034 0.000 1.238 227 I HN 0.625 nan 8.210 nan 0.000 0.445 228 S N 2.827 118.545 115.700 0.030 0.000 2.807 228 S HA 0.172 4.642 4.470 -0.000 0.000 0.247 228 S C 0.725 175.341 174.600 0.026 0.000 1.078 228 S CA -0.123 58.095 58.200 0.030 0.000 0.867 228 S CB 0.283 63.499 63.200 0.025 0.000 0.797 228 S HN 0.574 nan 8.310 nan 0.000 0.515 229 N N 2.912 121.625 118.700 0.022 0.000 2.399 229 N HA 0.184 4.924 4.740 -0.000 0.000 0.259 229 N C 0.680 176.202 175.510 0.019 0.000 1.160 229 N CA 0.023 53.084 53.050 0.018 0.000 0.946 229 N CB 0.844 39.339 38.487 0.014 0.000 1.156 229 N HN 0.335 nan 8.380 nan 0.000 0.489 230 I N 3.244 123.827 120.570 0.021 0.000 2.423 230 I HA -0.296 3.874 4.170 -0.000 0.000 0.254 230 I C 1.902 178.029 176.117 0.016 0.000 1.151 230 I CA 1.182 62.496 61.300 0.022 0.000 1.421 230 I CB 0.204 38.217 38.000 0.022 0.000 1.079 230 I HN 0.430 nan 8.210 nan 0.000 0.431 231 R N 0.829 121.336 120.500 0.012 0.000 2.119 231 R HA -0.243 4.097 4.340 -0.000 0.000 0.246 231 R C 1.944 178.248 176.300 0.007 0.000 1.146 231 R CA 2.170 58.275 56.100 0.008 0.000 0.962 231 R CB -0.481 29.823 30.300 0.007 0.000 0.863 231 R HN 0.573 nan 8.270 nan 0.000 0.442 232 E N -0.187 120.018 120.200 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 0.855 57.259 56.400 0.006 0.000 0.832 232 E CB 0.026 29.732 29.700 0.009 0.000 0.756 232 E HN 0.273 nan 8.360 nan 0.000 0.491 233 M N 0.196 119.801 119.600 0.009 0.000 2.115 233 M HA -0.049 4.431 4.480 -0.000 0.000 0.261 233 M C 2.402 178.702 176.300 0.001 0.000 1.079 233 M CA 1.080 56.384 55.300 0.008 0.000 1.143 233 M CB -1.032 31.578 32.600 0.018 0.000 1.332 233 M HN 0.140 nan 8.290 nan 0.000 0.421 234 L N 0.628 121.852 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.231 234 L C -0.437 176.427 176.870 -0.010 0.000 1.106 234 L CA 2.076 56.915 54.840 -0.001 0.000 0.827 234 L CB -2.857 39.202 42.059 0.000 0.000 0.915 234 L HN 0.218 nan 8.230 nan 0.000 0.448 235 P HA -0.111 nan 4.420 nan 0.000 0.226 235 P C 1.373 178.654 177.300 -0.032 0.000 1.146 235 P CA 1.379 64.468 63.100 -0.019 0.000 0.773 235 P CB 0.202 31.892 31.700 -0.016 0.000 0.772 236 V N -1.364 118.531 119.914 -0.033 0.000 3.371 236 V HA 0.072 4.192 4.120 -0.000 0.000 0.246 236 V C 2.440 178.504 176.094 -0.051 0.000 1.303 236 V CA 0.231 62.499 62.300 -0.054 0.000 1.156 236 V CB -0.481 31.313 31.823 -0.049 0.000 0.929 236 V HN -0.042 nan 8.190 nan 0.000 0.459 237 L N 0.263 121.472 121.223 -0.023 0.000 2.456 237 L HA -0.060 4.280 4.340 -0.000 0.000 0.224 237 L C 2.220 179.084 176.870 -0.010 0.000 1.148 237 L CA 1.455 56.291 54.840 -0.008 0.000 0.825 237 L CB -0.170 41.895 42.059 0.009 0.000 0.937 237 L HN 0.465 nan 8.230 nan 0.000 0.450 238 E N -0.468 119.720 120.200 -0.020 0.000 2.251 238 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 238 E C 2.121 178.702 176.600 -0.031 0.000 0.964 238 E CA 0.615 57.005 56.400 -0.017 0.000 0.868 238 E CB 0.153 29.845 29.700 -0.013 0.000 0.828 238 E HN 0.387 nan 8.360 nan 0.000 0.481 239 A N 0.956 123.742 122.820 -0.057 0.000 2.168 239 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 239 A C 1.984 179.493 177.584 -0.124 0.000 1.152 239 A CA 0.643 52.629 52.037 -0.086 0.000 0.716 239 A CB 0.099 19.033 19.000 -0.110 0.000 0.794 239 A HN 0.077 nan 8.150 nan 0.000 0.465 240 V N -1.248 118.605 119.914 -0.103 0.000 3.621 240 V HA 0.143 4.263 4.120 -0.000 0.000 0.285 240 V C 2.312 178.417 176.094 0.018 0.000 1.346 240 V CA 0.834 63.084 62.300 -0.083 0.000 1.104 240 V CB 0.033 31.810 31.823 -0.077 0.000 0.913 240 V HN 0.531 nan 8.190 nan 0.000 0.432 241 A N -0.288 122.537 122.820 0.009 0.000 1.975 241 A HA 0.087 4.407 4.320 -0.000 0.000 0.215 241 A C 1.438 179.044 177.584 0.037 0.000 1.170 241 A CA 0.698 52.752 52.037 0.029 0.000 0.656 241 A CB 0.027 19.037 19.000 0.017 0.000 0.821 241 A HN 0.452 nan 8.150 nan 0.000 0.449 242 K N -2.123 118.292 120.400 0.025 0.000 2.118 242 K HA 0.432 4.752 4.320 -0.000 0.000 0.240 242 K C 1.065 177.708 176.600 0.072 0.000 1.035 242 K CA 0.307 56.614 56.287 0.034 0.000 0.899 242 K CB 0.328 32.837 32.500 0.015 0.000 1.085 242 K HN 0.600 nan 8.250 nan 0.000 0.498 243 A N 0.315 123.184 122.820 0.081 0.000 4.115 243 A HA -0.240 4.080 4.320 -0.000 0.000 0.268 243 A C 1.204 178.863 177.584 0.125 0.000 0.917 243 A CA 1.797 53.910 52.037 0.127 0.000 1.090 243 A CB -2.441 16.697 19.000 0.230 0.000 1.067 243 A HN 1.390 nan 8.150 nan 0.000 0.828 244 G N -1.239 107.623 108.800 0.104 0.000 2.321 244 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.287 244 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.287 244 G C -0.014 174.943 174.900 0.094 0.000 1.018 244 G CA 1.524 46.675 45.100 0.085 0.000 0.855 244 G HN 1.168 nan 8.290 nan 0.000 0.507 245 K N 0.714 121.208 120.400 0.157 0.000 2.203 245 K HA 0.521 4.841 4.320 -0.000 0.000 0.251 245 K C -2.016 174.688 176.600 0.174 0.000 0.944 245 K CA -1.997 54.366 56.287 0.127 0.000 0.829 245 K CB 2.361 34.888 32.500 0.045 0.000 1.125 245 K HN 0.068 nan 8.250 nan 0.000 0.430 246 P HA 0.125 nan 4.420 nan 0.000 0.275 246 P C -1.127 176.266 177.300 0.156 0.000 1.266 246 P CA -0.527 62.639 63.100 0.111 0.000 0.793 246 P CB 0.648 32.389 31.700 0.068 0.000 1.074 247 L N 0.253 121.552 121.223 0.125 0.000 2.401 247 L HA 0.568 4.908 4.340 -0.000 0.000 0.266 247 L C -1.425 175.485 176.870 0.066 0.000 0.991 247 L CA -1.047 53.872 54.840 0.132 0.000 0.818 247 L CB 1.699 43.830 42.059 0.120 0.000 1.321 247 L HN 0.176 nan 8.230 nan 0.000 0.413 248 L N 5.055 126.318 121.223 0.066 0.000 2.329 248 L HA 0.665 5.005 4.340 -0.000 0.000 0.279 248 L C -1.226 175.662 176.870 0.028 0.000 1.014 248 L CA -0.234 54.620 54.840 0.022 0.000 0.814 248 L CB 1.453 43.532 42.059 0.034 0.000 1.257 248 L HN 0.429 nan 8.230 nan 0.000 0.424 249 I N 6.782 127.350 120.570 -0.003 0.000 2.362 249 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 249 I C -0.397 175.735 176.117 0.026 0.000 0.994 249 I CA -0.289 61.019 61.300 0.013 0.000 1.158 249 I CB 1.240 39.243 38.000 0.006 0.000 1.315 249 I HN 0.532 nan 8.210 nan 0.000 0.451 250 I N 5.721 126.312 120.570 0.035 0.000 2.439 250 I HA 0.678 4.848 4.170 -0.000 0.000 0.283 250 I C -0.027 176.096 176.117 0.010 0.000 1.023 250 I CA -0.239 61.080 61.300 0.031 0.000 1.100 250 I CB 1.774 39.794 38.000 0.033 0.000 1.238 250 I HN 0.709 nan 8.210 nan 0.000 0.445 251 A N 4.333 127.159 122.820 0.011 0.000 2.588 251 A HA 0.425 4.745 4.320 -0.000 0.000 0.290 251 A C 0.619 178.209 177.584 0.011 0.000 1.136 251 A CA -0.539 51.502 52.037 0.008 0.000 0.681 251 A CB 1.395 20.405 19.000 0.017 0.000 1.282 251 A HN 0.710 nan 8.150 nan 0.000 0.421 252 E N -0.588 119.620 120.200 0.013 0.000 2.147 252 E HA -0.147 4.203 4.350 -0.000 0.000 0.199 252 E C 0.103 176.722 176.600 0.031 0.000 1.005 252 E CA 2.103 58.516 56.400 0.021 0.000 0.810 252 E CB 0.074 29.788 29.700 0.024 0.000 0.736 252 E HN 0.637 nan 8.360 nan 0.000 0.460 253 D N -3.089 117.332 120.400 0.035 0.000 2.940 253 D HA 0.108 4.748 4.640 -0.000 0.000 0.304 253 D C -2.078 174.251 176.300 0.049 0.000 1.255 253 D CA -0.374 53.653 54.000 0.045 0.000 0.734 253 D CB 1.013 41.840 40.800 0.044 0.000 1.261 253 D HN -0.136 nan 8.370 nan 0.000 0.436 254 V N 1.540 121.491 119.914 0.062 0.000 2.567 254 V HA 0.426 4.546 4.120 -0.000 0.000 0.298 254 V C -0.544 175.592 176.094 0.071 0.000 1.047 254 V CA -0.684 61.657 62.300 0.068 0.000 0.880 254 V CB 1.587 33.462 31.823 0.086 0.000 1.009 254 V HN 0.442 nan 8.190 nan 0.000 0.429 255 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 -0.133 56.298 56.400 0.052 0.000 0.873 255 E CB 1.651 31.375 29.700 0.040 0.000 1.134 255 E HN 0.773 nan 8.360 nan 0.000 0.403 256 G N 1.695 110.523 108.800 0.046 0.000 3.437 256 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.238 256 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.238 256 G C 1.221 176.142 174.900 0.035 0.000 1.054 256 G CA 1.671 46.794 45.100 0.040 0.000 0.704 256 G HN 0.545 nan 8.290 nan 0.000 0.713 257 E N 0.722 120.942 120.200 0.033 0.000 2.002 257 E HA 0.133 4.483 4.350 -0.000 0.000 0.196 257 E C 2.943 179.564 176.600 0.035 0.000 0.974 257 E CA 0.962 57.379 56.400 0.029 0.000 0.853 257 E CB -0.864 28.851 29.700 0.025 0.000 0.808 257 E HN 0.335 nan 8.360 nan 0.000 0.492 258 A N 1.006 123.851 122.820 0.041 0.000 2.234 258 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 258 A C 2.076 179.703 177.584 0.072 0.000 1.167 258 A CA 1.158 53.224 52.037 0.050 0.000 0.698 258 A CB -0.468 18.561 19.000 0.048 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.595 120.673 121.223 0.076 0.000 2.056 259 L HA 0.206 4.546 4.340 -0.000 0.000 0.202 259 L C 2.515 179.431 176.870 0.077 0.000 1.086 259 L CA 2.113 57.017 54.840 0.107 0.000 0.758 259 L CB -1.012 41.109 42.059 0.104 0.000 0.912 259 L HN 0.225 nan 8.230 nan 0.000 0.446 260 A N -1.667 121.179 122.820 0.043 0.000 2.234 260 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 260 A C 2.055 179.636 177.584 -0.005 0.000 1.167 260 A CA 1.887 53.929 52.037 0.008 0.000 0.698 260 A CB -1.067 17.936 19.000 0.005 0.000 0.779 260 A HN 0.600 nan 8.150 nan 0.000 0.475 261 T N -0.090 114.475 114.554 0.020 0.000 2.814 261 T HA 0.053 4.403 4.350 -0.000 0.000 0.254 261 T C 1.757 176.472 174.700 0.025 0.000 1.037 261 T CA 1.175 63.285 62.100 0.018 0.000 1.143 261 T CB -0.242 68.644 68.868 0.030 0.000 0.866 261 T HN 0.412 nan 8.240 nan 0.000 0.431 262 L N 1.114 122.378 121.223 0.068 0.000 2.156 262 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 262 L C 2.533 179.435 176.870 0.055 0.000 1.095 262 L CA 0.596 55.503 54.840 0.112 0.000 0.770 262 L CB -0.724 41.468 42.059 0.222 0.000 0.914 262 L HN 0.114 nan 8.230 nan 0.000 0.439 263 V N -0.431 119.457 119.914 -0.044 0.000 2.688 263 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 263 V C 2.143 178.112 176.094 -0.209 0.000 1.084 263 V CA 1.312 63.464 62.300 -0.248 0.000 1.103 263 V CB -0.167 31.530 31.823 -0.209 0.000 0.688 263 V HN 0.268 nan 8.190 nan 0.000 0.480 264 V N -0.992 118.850 119.914 -0.118 0.000 2.922 264 V HA -0.012 4.108 4.120 -0.000 0.000 0.242 264 V C 1.909 177.965 176.094 -0.062 0.000 1.094 264 V CA 1.100 63.332 62.300 -0.113 0.000 1.106 264 V CB -0.477 31.291 31.823 -0.093 0.000 0.799 264 V HN 0.500 nan 8.190 nan 0.000 0.474 265 N N 0.970 119.657 118.700 -0.021 0.000 2.084 265 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 265 N C 1.776 177.296 175.510 0.016 0.000 1.030 265 N CA 1.886 54.938 53.050 0.004 0.000 0.849 265 N CB -0.036 38.467 38.487 0.025 0.000 1.012 265 N HN 0.587 nan 8.380 nan 0.000 0.423 266 T N -1.670 112.907 114.554 0.039 0.000 3.194 266 T HA 0.075 4.425 4.350 -0.000 0.000 0.251 266 T C 1.400 176.116 174.700 0.026 0.000 1.132 266 T CA 0.113 62.251 62.100 0.062 0.000 1.028 266 T CB 0.109 69.061 68.868 0.139 0.000 0.976 266 T HN 0.030 nan 8.240 nan 0.000 0.535 267 M N 0.662 120.248 119.600 -0.024 0.000 2.447 267 M HA 0.393 4.873 4.480 -0.000 0.000 0.266 267 M C 2.154 178.430 176.300 -0.040 0.000 1.120 267 M CA 1.043 56.307 55.300 -0.059 0.000 1.166 267 M CB 0.115 32.636 32.600 -0.131 0.000 1.349 267 M HN 0.060 nan 8.290 nan 0.000 0.463 268 R N -0.542 119.940 120.500 -0.029 0.000 2.297 268 R HA 0.293 4.633 4.340 -0.000 0.000 0.197 268 R C 0.885 177.183 176.300 -0.004 0.000 0.943 268 R CA 0.715 56.803 56.100 -0.020 0.000 1.038 268 R CB 0.090 30.378 30.300 -0.020 0.000 0.957 268 R HN 0.602 nan 8.270 nan 0.000 0.484 269 G N 1.105 109.909 108.800 0.007 0.000 2.163 269 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.213 269 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.213 269 G C 0.123 175.037 174.900 0.023 0.000 0.991 269 G CA -0.533 44.577 45.100 0.018 0.000 0.653 269 G HN 0.207 nan 8.290 nan 0.000 0.518 270 I N 1.951 122.534 120.570 0.022 0.000 2.260 270 I HA 0.382 4.552 4.170 -0.000 0.000 0.297 270 I C 0.835 176.976 176.117 0.039 0.000 1.143 270 I CA -0.754 60.561 61.300 0.025 0.000 1.271 270 I CB 0.603 38.614 38.000 0.017 0.000 1.461 270 I HN 0.097 nan 8.210 nan 0.000 0.530 271 V N 4.712 124.653 119.914 0.045 0.000 3.814 271 V HA -0.243 3.877 4.120 -0.000 0.000 0.480 271 V C 0.189 176.329 176.094 0.076 0.000 0.682 271 V CA 0.445 62.781 62.300 0.060 0.000 1.959 271 V CB -1.486 30.371 31.823 0.056 0.000 2.372 271 V HN 0.757 nan 8.190 nan 0.000 0.501 272 K N 4.018 124.467 120.400 0.082 0.000 2.368 272 K HA 0.695 5.015 4.320 -0.000 0.000 0.282 272 K C -0.178 176.491 176.600 0.114 0.000 1.035 272 K CA -0.129 56.221 56.287 0.105 0.000 0.973 272 K CB 1.353 33.910 32.500 0.094 0.000 0.957 272 K HN 0.529 nan 8.250 nan 0.000 0.474 273 V N 0.650 120.656 119.914 0.154 0.000 3.159 273 V HA 0.868 4.988 4.120 -0.000 0.000 0.308 273 V C -1.149 174.973 176.094 0.045 0.000 1.190 273 V CA -1.059 61.305 62.300 0.107 0.000 1.037 273 V CB 2.243 34.133 31.823 0.112 0.000 1.060 273 V HN 0.823 nan 8.190 nan 0.000 0.437 274 A N 1.323 124.011 122.820 -0.220 0.000 2.594 274 A HA 1.039 5.359 4.320 -0.000 0.000 0.295 274 A C -0.914 176.368 177.584 -0.503 0.000 1.071 274 A CA -0.052 51.491 52.037 -0.823 0.000 0.685 274 A CB 1.962 20.599 19.000 -0.605 0.000 1.285 274 A HN 1.958 nan 8.150 nan 0.000 0.405 275 A N 0.155 122.619 122.820 -0.594 0.000 2.498 275 A HA 0.930 5.250 4.320 -0.000 0.000 0.298 275 A C -0.666 176.869 177.584 -0.082 0.000 1.075 275 A CA -0.091 51.832 52.037 -0.190 0.000 0.714 275 A CB 1.568 20.533 19.000 -0.058 0.000 1.299 275 A HN 2.365 nan 8.150 nan 0.000 0.407 276 V N -1.381 118.545 119.914 0.019 0.000 3.048 276 V HA 0.556 4.676 4.120 -0.000 0.000 0.303 276 V C -0.603 175.548 176.094 0.096 0.000 1.214 276 V CA -1.336 61.014 62.300 0.085 0.000 0.984 276 V CB 1.329 33.230 31.823 0.130 0.000 1.054 276 V HN 0.910 nan 8.190 nan 0.000 0.430 277 K N 2.212 122.668 120.400 0.094 0.000 2.469 277 K HA 0.503 4.823 4.320 -0.000 0.000 0.274 277 K C 0.800 177.420 176.600 0.033 0.000 0.983 277 K CA 0.525 56.851 56.287 0.064 0.000 0.974 277 K CB 0.761 33.301 32.500 0.066 0.000 0.913 277 K HN 1.148 nan 8.250 nan 0.000 0.493 278 A N 4.286 127.093 122.820 -0.022 0.000 2.364 278 A HA 0.175 4.495 4.320 -0.000 0.000 0.258 278 A C -2.022 175.461 177.584 -0.170 0.000 1.131 278 A CA -0.734 51.227 52.037 -0.127 0.000 0.800 278 A CB -0.496 18.449 19.000 -0.092 0.000 1.086 278 A HN 0.547 nan 8.150 nan 0.000 0.508 279 P HA 0.405 nan 4.420 nan 0.000 0.284 279 P C 0.691 177.954 177.300 -0.061 0.000 1.253 279 P CA 1.103 64.061 63.100 -0.237 0.000 0.800 279 P CB 0.873 32.330 31.700 -0.406 0.000 0.961 280 G N 2.843 111.669 108.800 0.043 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 -0.511 174.549 174.900 0.266 0.000 1.277 280 G CA 0.734 45.929 45.100 0.157 0.000 0.959 280 G HN 0.770 nan 8.290 nan 0.000 0.554 281 F N -3.410 116.539 119.950 -0.002 0.000 2.831 281 F HA 0.730 5.257 4.527 -0.000 0.000 0.318 281 F C 0.927 176.733 175.800 0.010 0.000 1.174 281 F CA 0.377 58.378 58.000 0.003 0.000 0.918 281 F CB 0.709 39.717 39.000 0.013 0.000 1.364 281 F HN 2.449 nan 8.300 nan 0.000 0.475 282 G N 0.981 109.784 108.800 0.005 0.000 2.527 282 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.268 282 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.268 282 G C 0.152 174.993 174.900 -0.099 0.000 1.175 282 G CA 0.503 45.541 45.100 -0.104 0.000 0.962 282 G HN 0.909 nan 8.290 nan 0.000 0.560 283 D N 0.959 121.283 120.400 -0.125 0.000 2.249 283 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 283 D C 2.537 178.777 176.300 -0.099 0.000 0.962 283 D CA 1.180 55.130 54.000 -0.083 0.000 0.860 283 D CB -0.024 40.739 40.800 -0.062 0.000 0.955 283 D HN 0.634 nan 8.370 nan 0.000 0.505 284 R N 1.140 121.550 120.500 -0.150 0.000 2.276 284 R HA 0.063 4.403 4.340 -0.000 0.000 0.203 284 R C 2.091 178.319 176.300 -0.120 0.000 1.017 284 R CA 0.367 56.386 56.100 -0.136 0.000 1.010 284 R CB -0.239 29.960 30.300 -0.169 0.000 0.900 284 R HN 0.006 nan 8.270 nan 0.000 0.469 285 R N 2.115 122.546 120.500 -0.116 0.000 2.066 285 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 285 R C 1.237 177.496 176.300 -0.069 0.000 1.131 285 R CA 1.535 57.587 56.100 -0.078 0.000 0.955 285 R CB -0.048 30.233 30.300 -0.032 0.000 0.851 285 R HN 0.225 nan 8.270 nan 0.000 0.432 286 K N -0.091 120.276 120.400 -0.056 0.000 2.442 286 K HA -0.023 4.297 4.320 -0.000 0.000 0.198 286 K C 1.706 178.276 176.600 -0.049 0.000 1.042 286 K CA 0.916 57.176 56.287 -0.045 0.000 0.958 286 K CB 0.169 32.649 32.500 -0.033 0.000 0.766 286 K HN 0.270 nan 8.250 nan 0.000 0.474 287 A N 0.934 123.719 122.820 -0.059 0.000 1.909 287 A HA 0.058 4.378 4.320 -0.000 0.000 0.209 287 A C 2.049 179.596 177.584 -0.062 0.000 1.247 287 A CA 0.273 52.277 52.037 -0.055 0.000 0.660 287 A CB -0.219 18.746 19.000 -0.057 0.000 0.910 287 A HN 0.049 nan 8.150 nan 0.000 0.465 288 M N -0.372 119.181 119.600 -0.079 0.000 2.082 288 M HA -0.185 4.295 4.480 -0.000 0.000 0.258 288 M C 2.254 178.493 176.300 -0.102 0.000 1.069 288 M CA 1.868 57.113 55.300 -0.091 0.000 1.102 288 M CB -0.498 32.032 32.600 -0.116 0.000 1.336 288 M HN 0.534 nan 8.290 nan 0.000 0.404 289 L N 0.187 121.343 121.223 -0.112 0.000 2.127 289 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 289 L C 2.484 179.315 176.870 -0.065 0.000 1.089 289 L CA 1.565 56.340 54.840 -0.108 0.000 0.757 289 L CB -0.259 41.745 42.059 -0.092 0.000 0.899 289 L HN 0.319 nan 8.230 nan 0.000 0.434 290 Q N 0.033 119.803 119.800 -0.050 0.000 2.167 290 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 290 Q C 1.667 177.652 176.000 -0.024 0.000 0.970 290 Q CA 1.977 57.761 55.803 -0.032 0.000 0.855 290 Q CB -0.171 28.550 28.738 -0.028 0.000 0.911 290 Q HN 0.543 nan 8.270 nan 0.000 0.438 291 D N 0.190 120.572 120.400 -0.030 0.000 2.084 291 D HA -0.163 4.477 4.640 -0.000 0.000 0.194 291 D C 1.895 178.192 176.300 -0.004 0.000 0.990 291 D CA 1.429 55.419 54.000 -0.017 0.000 0.826 291 D CB -0.290 40.499 40.800 -0.019 0.000 0.971 291 D HN 0.358 nan 8.370 nan 0.000 0.453 292 I N 1.344 121.908 120.570 -0.010 0.000 2.300 292 I HA -0.322 3.848 4.170 -0.000 0.000 0.252 292 I C 2.444 178.572 176.117 0.020 0.000 1.119 292 I CA 1.080 62.389 61.300 0.015 0.000 1.384 292 I CB -0.206 37.792 38.000 -0.002 0.000 1.062 292 I HN -0.055 nan 8.210 nan 0.000 0.426 293 A N 0.420 123.243 122.820 0.006 0.000 1.855 293 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 293 A C 2.376 179.969 177.584 0.015 0.000 1.191 293 A CA 2.327 54.372 52.037 0.013 0.000 0.613 293 A CB -1.099 17.903 19.000 0.004 0.000 0.829 293 A HN 0.365 nan 8.150 nan 0.000 0.442 294 T N 0.738 115.297 114.554 0.009 0.000 2.720 294 T HA -0.134 4.216 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 1.291 63.396 62.100 0.009 0.000 1.144 294 T CB -0.354 68.516 68.868 0.003 0.000 0.864 294 T HN 0.295 nan 8.240 nan 0.000 0.444 295 L N 2.160 123.392 121.223 0.016 0.000 2.131 295 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 295 L C 1.847 178.731 176.870 0.024 0.000 1.092 295 L CA 2.164 57.017 54.840 0.020 0.000 0.759 295 L CB -1.231 40.846 42.059 0.028 0.000 0.903 295 L HN 0.459 nan 8.230 nan 0.000 0.435 296 T N -3.762 110.809 114.554 0.029 0.000 3.248 296 T HA 0.364 4.714 4.350 -0.000 0.000 0.271 296 T C 1.033 175.755 174.700 0.037 0.000 1.005 296 T CA 0.125 62.245 62.100 0.033 0.000 0.902 296 T CB -0.328 68.567 68.868 0.044 0.000 1.102 296 T HN 0.518 nan 8.240 nan 0.000 0.548 297 G N 0.201 109.019 108.800 0.030 0.000 2.386 297 G HA2 0.139 4.099 3.960 -0.000 0.000 0.295 297 G HA3 0.139 4.099 3.960 -0.000 0.000 0.295 297 G C 0.382 175.307 174.900 0.042 0.000 0.979 297 G CA 0.008 45.127 45.100 0.032 0.000 1.193 297 G HN 1.142 nan 8.290 nan 0.000 0.508 298 G N -1.546 107.276 108.800 0.037 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 -0.670 174.244 174.900 0.023 0.000 1.302 298 G CA 0.301 45.423 45.100 0.038 0.000 0.880 298 G HN 0.836 nan 8.290 nan 0.000 0.574 299 T N -0.461 114.104 114.554 0.019 0.000 2.916 299 T HA 0.520 4.870 4.350 -0.000 0.000 0.305 299 T C -0.633 174.071 174.700 0.005 0.000 1.119 299 T CA -0.367 61.738 62.100 0.009 0.000 1.008 299 T CB 1.960 70.832 68.868 0.006 0.000 1.129 299 T HN 0.426 nan 8.240 nan 0.000 0.480 300 V N 2.850 122.764 119.914 -0.000 0.000 2.583 300 V HA 0.386 4.506 4.120 -0.000 0.000 0.287 300 V C 0.013 176.105 176.094 -0.003 0.000 1.051 300 V CA -0.437 61.861 62.300 -0.004 0.000 1.010 300 V CB 0.676 32.493 31.823 -0.010 0.000 0.988 300 V HN 0.722 nan 8.190 nan 0.000 0.478 301 I N 5.029 125.597 120.570 -0.003 0.000 2.412 301 I HA 0.327 4.497 4.170 -0.000 0.000 0.279 301 I C 0.310 176.425 176.117 -0.002 0.000 1.063 301 I CA 0.060 61.358 61.300 -0.002 0.000 1.193 301 I CB 0.911 38.910 38.000 -0.001 0.000 1.370 301 I HN 0.725 nan 8.210 nan 0.000 0.479 302 S N 2.704 118.403 115.700 -0.003 0.000 2.621 302 S HA 0.454 4.924 4.470 -0.000 0.000 0.302 302 S C 0.455 175.055 174.600 -0.000 0.000 1.093 302 S CA -0.826 57.373 58.200 -0.002 0.000 1.017 302 S CB 2.151 65.348 63.200 -0.004 0.000 1.077 302 S HN 0.553 nan 8.310 nan 0.000 0.517 303 E N 0.312 120.512 120.200 0.001 0.000 2.442 303 E HA -0.012 4.338 4.350 -0.000 0.000 0.195 303 E C 1.067 177.667 176.600 0.001 0.000 1.030 303 E CA 0.296 56.698 56.400 0.002 0.000 0.869 303 E CB -0.018 29.684 29.700 0.004 0.000 0.857 303 E HN 0.745 nan 8.360 nan 0.000 0.505 304 E N 0.459 120.659 120.200 0.000 0.000 2.338 304 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 304 E C 1.421 178.021 176.600 -0.001 0.000 1.007 304 E CA 0.689 57.089 56.400 -0.000 0.000 0.849 304 E CB 0.157 29.857 29.700 -0.001 0.000 0.774 304 E HN 0.340 nan 8.360 nan 0.000 0.506 305 I N -0.901 119.668 120.570 -0.001 0.000 4.154 305 I HA 0.191 4.361 4.170 -0.000 0.000 0.334 305 I C 0.879 176.995 176.117 -0.001 0.000 1.371 305 I CA 0.030 61.329 61.300 -0.002 0.000 1.110 305 I CB 0.982 38.980 38.000 -0.003 0.000 1.085 305 I HN 0.097 nan 8.210 nan 0.000 0.398 306 G N 2.158 110.957 108.800 -0.001 0.000 2.165 306 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.226 306 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.226 306 G C -0.009 174.890 174.900 -0.001 0.000 1.035 306 G CA -0.333 44.766 45.100 -0.000 0.000 0.744 306 G HN 0.241 nan 8.290 nan 0.000 0.501 307 M N 0.286 119.885 119.600 -0.001 0.000 2.300 307 M HA 0.521 5.001 4.480 -0.000 0.000 0.348 307 M C 0.216 176.516 176.300 -0.001 0.000 1.151 307 M CA -0.212 55.087 55.300 -0.002 0.000 1.046 307 M CB 1.465 34.063 32.600 -0.002 0.000 1.647 307 M HN 0.222 nan 8.290 nan 0.000 0.451 308 E N 2.039 122.238 120.200 -0.002 0.000 2.227 308 E HA 0.329 4.679 4.350 -0.000 0.000 0.268 308 E C 0.208 176.806 176.600 -0.003 0.000 0.907 308 E CA -0.565 55.834 56.400 -0.002 0.000 0.786 308 E CB 2.234 31.933 29.700 -0.001 0.000 1.191 308 E HN 0.682 nan 8.360 nan 0.000 0.411 309 L N 1.586 122.808 121.223 -0.002 0.000 2.456 309 L HA -0.140 4.200 4.340 -0.000 0.000 0.224 309 L C 1.436 178.301 176.870 -0.008 0.000 1.148 309 L CA 0.893 55.731 54.840 -0.004 0.000 0.825 309 L CB -0.200 41.859 42.059 0.001 0.000 0.937 309 L HN 0.520 nan 8.230 nan 0.000 0.450 310 E N 0.370 120.566 120.200 -0.006 0.000 2.158 310 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 310 E C 0.646 177.238 176.600 -0.012 0.000 0.982 310 E CA 0.809 57.204 56.400 -0.009 0.000 0.823 310 E CB 0.124 29.820 29.700 -0.005 0.000 0.766 310 E HN 0.260 nan 8.360 nan 0.000 0.468 311 K N 0.716 121.109 120.400 -0.011 0.000 2.765 311 K HA 0.522 4.842 4.320 -0.000 0.000 0.246 311 K C -0.923 175.667 176.600 -0.015 0.000 1.254 311 K CA -0.236 56.044 56.287 -0.012 0.000 1.219 311 K CB 0.961 33.456 32.500 -0.008 0.000 1.747 311 K HN -0.052 nan 8.250 nan 0.000 0.372 312 A N 1.118 123.925 122.820 -0.022 0.000 2.442 312 A HA 0.353 4.673 4.320 -0.000 0.000 0.284 312 A C 0.226 177.784 177.584 -0.043 0.000 1.058 312 A CA -0.759 51.262 52.037 -0.028 0.000 0.738 312 A CB 0.733 19.718 19.000 -0.025 0.000 1.242 312 A HN 0.376 nan 8.150 nan 0.000 0.421 313 T N 0.066 114.593 114.554 -0.046 0.000 3.018 313 T HA 0.476 4.826 4.350 -0.000 0.000 0.338 313 T C 1.075 175.712 174.700 -0.105 0.000 1.208 313 T CA -0.153 61.908 62.100 -0.065 0.000 0.963 313 T CB 0.033 68.874 68.868 -0.046 0.000 1.697 313 T HN 0.381 nan 8.240 nan 0.000 0.560 314 L N -0.016 121.127 121.223 -0.133 0.000 2.567 314 L HA 0.271 4.611 4.340 -0.000 0.000 0.225 314 L C 2.754 179.566 176.870 -0.097 0.000 1.119 314 L CA 0.491 55.194 54.840 -0.229 0.000 0.871 314 L CB -0.354 41.520 42.059 -0.309 0.000 1.036 314 L HN 0.794 nan 8.230 nan 0.000 0.459 315 E N 0.517 120.695 120.200 -0.037 0.000 2.170 315 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 315 E C 0.939 177.549 176.600 0.017 0.000 0.981 315 E CA 0.725 57.132 56.400 0.010 0.000 0.830 315 E CB 0.340 30.044 29.700 0.007 0.000 0.775 315 E HN 0.393 nan 8.360 nan 0.000 0.470 316 D N 0.395 120.794 120.400 -0.003 0.000 2.363 316 D HA -0.004 4.636 4.640 -0.000 0.000 0.226 316 D C -0.209 176.101 176.300 0.016 0.000 1.020 316 D CA 0.312 54.315 54.000 0.004 0.000 0.892 316 D CB 0.237 41.033 40.800 -0.007 0.000 0.900 316 D HN 0.117 nan 8.370 nan 0.000 0.531 317 L N 0.360 121.598 121.223 0.026 0.000 2.343 317 L HA 0.394 4.734 4.340 -0.000 0.000 0.275 317 L C 1.294 178.245 176.870 0.136 0.000 1.056 317 L CA -0.515 54.366 54.840 0.069 0.000 0.804 317 L CB 1.412 43.494 42.059 0.038 0.000 1.203 317 L HN -0.175 nan 8.230 nan 0.000 0.440 318 G N 1.118 109.995 108.800 0.128 0.000 2.599 318 G HA2 0.481 4.441 3.960 -0.000 0.000 0.264 318 G HA3 0.481 4.441 3.960 -0.000 0.000 0.264 318 G C -0.989 174.000 174.900 0.148 0.000 1.200 318 G CA -0.168 44.999 45.100 0.113 0.000 0.896 318 G HN 0.602 nan 8.290 nan 0.000 0.536 319 Q N -1.022 118.823 119.800 0.075 0.000 2.403 319 Q HA 0.550 4.890 4.340 -0.000 0.000 0.267 319 Q C -1.126 174.856 176.000 -0.030 0.000 0.991 319 Q CA -0.718 55.085 55.803 0.000 0.000 0.906 319 Q CB 1.806 30.524 28.738 -0.034 0.000 1.422 319 Q HN 0.978 nan 8.270 nan 0.000 0.400 320 A N 2.561 125.345 122.820 -0.060 0.000 2.524 320 A HA 0.597 4.917 4.320 -0.000 0.000 0.286 320 A C -0.810 176.731 177.584 -0.072 0.000 1.203 320 A CA -0.646 51.363 52.037 -0.047 0.000 0.736 320 A CB 1.589 20.576 19.000 -0.022 0.000 1.322 320 A HN 0.757 nan 8.150 nan 0.000 0.424 321 K N -0.514 119.855 120.400 -0.052 0.000 2.387 321 K HA 0.305 4.625 4.320 -0.000 0.000 0.198 321 K C -0.008 176.565 176.600 -0.045 0.000 1.022 321 K CA 0.355 56.609 56.287 -0.054 0.000 1.128 321 K CB 0.340 32.816 32.500 -0.041 0.000 0.853 321 K HN 0.513 nan 8.250 nan 0.000 0.523 322 R N -0.024 120.452 120.500 -0.040 0.000 4.584 322 R HA 0.034 4.374 4.340 -0.000 0.000 0.251 322 R C -2.181 174.100 176.300 -0.030 0.000 0.957 322 R CA -0.474 55.607 56.100 -0.032 0.000 1.195 322 R CB 0.733 31.017 30.300 -0.027 0.000 1.233 322 R HN -0.013 nan 8.270 nan 0.000 0.630 323 V N 0.245 120.142 119.914 -0.028 0.000 2.932 323 V HA 0.888 5.008 4.120 -0.000 0.000 0.307 323 V C -1.226 174.848 176.094 -0.034 0.000 1.147 323 V CA -0.717 61.561 62.300 -0.036 0.000 0.951 323 V CB 2.202 34.006 31.823 -0.032 0.000 1.031 323 V HN 0.425 nan 8.190 nan 0.000 0.426 324 V N 4.548 124.430 119.914 -0.053 0.000 2.914 324 V HA 0.699 4.819 4.120 -0.000 0.000 0.314 324 V C -0.364 175.691 176.094 -0.066 0.000 1.084 324 V CA -0.502 61.774 62.300 -0.039 0.000 0.963 324 V CB 1.985 33.787 31.823 -0.035 0.000 1.025 324 V HN 1.081 nan 8.190 nan 0.000 0.432 325 I N 0.153 120.708 120.570 -0.026 0.000 2.576 325 I HA 0.506 4.676 4.170 -0.000 0.000 0.279 325 I C -0.107 176.002 176.117 -0.012 0.000 1.114 325 I CA -0.579 60.695 61.300 -0.043 0.000 1.076 325 I CB 1.158 39.151 38.000 -0.012 0.000 1.212 325 I HN 0.435 nan 8.210 nan 0.000 0.472 326 N N 4.590 123.235 118.700 -0.092 0.000 2.255 326 N HA 0.005 4.745 4.740 -0.000 0.000 0.260 326 N C 1.047 176.288 175.510 -0.450 0.000 1.288 326 N CA -0.047 52.927 53.050 -0.127 0.000 0.894 326 N CB 0.739 39.163 38.487 -0.104 0.000 1.033 326 N HN 0.678 nan 8.380 nan 0.000 0.477 327 K N 0.368 120.490 120.400 -0.462 0.000 2.148 327 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 327 K C -0.317 175.905 176.600 -0.629 0.000 1.050 327 K CA 1.794 57.607 56.287 -0.789 0.000 0.942 327 K CB 0.007 32.358 32.500 -0.249 0.000 0.724 327 K HN 0.610 nan 8.250 nan 0.000 0.446 328 D N -1.112 119.089 120.400 -0.331 0.000 2.822 328 D HA 0.102 4.742 4.640 -0.000 0.000 0.327 328 D C -1.139 175.085 176.300 -0.128 0.000 1.577 328 D CA -0.482 53.403 54.000 -0.191 0.000 0.785 328 D CB 0.855 41.592 40.800 -0.106 0.000 1.199 328 D HN -0.158 nan 8.370 nan 0.000 0.443 329 T N -0.111 114.344 114.554 -0.164 0.000 3.293 329 T HA 0.463 4.813 4.350 -0.000 0.000 0.320 329 T C -0.424 174.148 174.700 -0.215 0.000 0.995 329 T CA -0.452 61.557 62.100 -0.150 0.000 1.041 329 T CB 1.932 70.733 68.868 -0.112 0.000 1.058 329 T HN -0.051 nan 8.240 nan 0.000 0.453 330 T N 1.750 116.089 114.554 -0.359 0.000 2.884 330 T HA 0.821 5.171 4.350 -0.000 0.000 0.277 330 T C -0.054 174.329 174.700 -0.528 0.000 0.976 330 T CA -0.573 61.224 62.100 -0.504 0.000 0.956 330 T CB 1.483 69.820 68.868 -0.885 0.000 1.113 330 T HN 0.718 nan 8.240 nan 0.000 0.554 331 T N 0.848 115.134 114.554 -0.448 0.000 4.242 331 T HA 0.313 4.663 4.350 -0.000 0.000 0.422 331 T C -1.616 172.981 174.700 -0.172 0.000 1.136 331 T CA -0.598 61.327 62.100 -0.292 0.000 1.071 331 T CB -0.177 68.581 68.868 -0.183 0.000 1.260 331 T HN 0.455 nan 8.240 nan 0.000 0.453 332 I N 5.794 126.294 120.570 -0.116 0.000 2.353 332 I HA 0.515 4.685 4.170 -0.000 0.000 0.293 332 I C 0.007 176.107 176.117 -0.029 0.000 0.992 332 I CA -0.956 60.319 61.300 -0.040 0.000 1.268 332 I CB 1.430 39.444 38.000 0.023 0.000 1.387 332 I HN 0.566 nan 8.210 nan 0.000 0.478 333 I N 5.459 126.013 120.570 -0.027 0.000 2.362 333 I HA 0.215 4.385 4.170 -0.000 0.000 0.289 333 I C -0.647 175.460 176.117 -0.018 0.000 0.994 333 I CA -0.520 60.766 61.300 -0.023 0.000 1.158 333 I CB 1.395 39.379 38.000 -0.027 0.000 1.315 333 I HN 0.612 nan 8.210 nan 0.000 0.451 334 D N 4.667 125.059 120.400 -0.013 0.000 4.867 334 D HA -0.117 4.523 4.640 -0.000 0.000 0.238 334 D C -0.217 176.076 176.300 -0.012 0.000 1.114 334 D CA 1.193 55.185 54.000 -0.012 0.000 1.283 334 D CB 0.181 40.972 40.800 -0.016 0.000 0.739 334 D HN 0.814 nan 8.370 nan 0.000 0.371 335 G N 1.626 110.423 108.800 -0.004 0.000 2.454 335 G HA2 0.506 4.466 3.960 -0.000 0.000 0.329 335 G HA3 0.506 4.466 3.960 -0.000 0.000 0.329 335 G C 1.171 176.070 174.900 -0.001 0.000 1.177 335 G CA -0.411 44.689 45.100 -0.001 0.000 0.951 335 G HN 0.456 nan 8.290 nan 0.000 0.485 336 V N 1.169 121.083 119.914 -0.000 0.000 2.720 336 V HA -0.003 4.117 4.120 -0.000 0.000 0.256 336 V C 2.172 178.271 176.094 0.008 0.000 1.082 336 V CA 1.112 63.414 62.300 0.003 0.000 1.101 336 V CB -1.263 30.565 31.823 0.008 0.000 0.693 336 V HN 0.848 nan 8.190 nan 0.000 0.479 337 G N 1.214 110.021 108.800 0.011 0.000 2.187 337 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.239 337 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.239 337 G C -0.069 174.835 174.900 0.008 0.000 1.200 337 G CA -0.087 45.020 45.100 0.011 0.000 0.888 337 G HN 0.582 nan 8.290 nan 0.000 0.482 338 E N 1.835 122.040 120.200 0.008 0.000 2.331 338 E HA 0.067 4.417 4.350 -0.000 0.000 0.272 338 E C 0.667 177.270 176.600 0.004 0.000 1.036 338 E CA -0.231 56.172 56.400 0.005 0.000 0.864 338 E CB 1.335 31.039 29.700 0.006 0.000 1.035 338 E HN 0.655 nan 8.360 nan 0.000 0.408 339 E N 1.370 121.571 120.200 0.002 0.000 2.527 339 E HA -0.162 4.188 4.350 -0.000 0.000 0.204 339 E C 0.959 177.560 176.600 0.001 0.000 1.132 339 E CA 0.214 56.615 56.400 0.001 0.000 0.905 339 E CB -0.005 29.695 29.700 0.000 0.000 0.875 339 E HN 0.500 nan 8.360 nan 0.000 0.548 340 A N 1.181 124.003 122.820 0.002 0.000 1.884 340 A HA 0.235 4.555 4.320 -0.000 0.000 0.212 340 A C 2.290 179.874 177.584 0.001 0.000 1.265 340 A CA 0.736 52.774 52.037 0.001 0.000 0.626 340 A CB -0.401 18.600 19.000 0.002 0.000 0.943 340 A HN 0.280 nan 8.150 nan 0.000 0.466 341 A N -0.486 122.336 122.820 0.002 0.000 2.121 341 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 341 A C 1.951 179.535 177.584 0.001 0.000 1.154 341 A CA 1.162 53.200 52.037 0.002 0.000 0.679 341 A CB -0.555 18.447 19.000 0.003 0.000 0.795 341 A HN 0.493 nan 8.150 nan 0.000 0.458 342 I N -1.648 118.923 120.570 0.002 0.000 2.429 342 I HA -0.132 4.038 4.170 -0.000 0.000 0.247 342 I C 2.538 178.654 176.117 -0.001 0.000 1.099 342 I CA 1.153 62.453 61.300 0.001 0.000 1.422 342 I CB -0.155 37.847 38.000 0.003 0.000 1.112 342 I HN 0.293 nan 8.210 nan 0.000 0.430 343 Q N 1.259 121.058 119.800 -0.001 0.000 2.364 343 Q HA -0.070 4.270 4.340 -0.000 0.000 0.207 343 Q C 1.862 177.860 176.000 -0.003 0.000 0.970 343 Q CA 1.560 57.362 55.803 -0.002 0.000 0.888 343 Q CB -0.292 28.445 28.738 -0.002 0.000 0.951 343 Q HN 0.471 nan 8.270 nan 0.000 0.469 344 G N -0.580 108.218 108.800 -0.002 0.000 2.459 344 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.213 344 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.213 344 G C 1.519 176.416 174.900 -0.005 0.000 1.155 344 G CA 0.392 45.490 45.100 -0.003 0.000 0.811 344 G HN 0.278 nan 8.290 nan 0.000 0.534 345 R N 0.532 121.030 120.500 -0.005 0.000 2.115 345 R HA 0.034 4.374 4.340 -0.000 0.000 0.230 345 R C 2.367 178.662 176.300 -0.008 0.000 1.111 345 R CA 1.235 57.331 56.100 -0.007 0.000 0.976 345 R CB -0.713 29.584 30.300 -0.006 0.000 0.870 345 R HN 0.205 nan 8.270 nan 0.000 0.445 346 V N 0.578 120.488 119.914 -0.007 0.000 2.358 346 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 346 V C 2.323 178.412 176.094 -0.009 0.000 1.047 346 V CA 1.777 64.072 62.300 -0.008 0.000 1.035 346 V CB -0.857 30.962 31.823 -0.006 0.000 0.658 346 V HN 0.510 nan 8.190 nan 0.000 0.452 347 A N -0.728 122.088 122.820 -0.007 0.000 1.933 347 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 347 A C 2.190 179.769 177.584 -0.009 0.000 1.175 347 A CA 1.795 53.828 52.037 -0.007 0.000 0.628 347 A CB -0.420 18.577 19.000 -0.006 0.000 0.814 347 A HN 0.623 nan 8.150 nan 0.000 0.444 348 Q N -0.637 119.157 119.800 -0.009 0.000 2.119 348 Q HA -0.041 4.299 4.340 -0.000 0.000 0.201 348 Q C 1.916 177.908 176.000 -0.014 0.000 0.972 348 Q CA 1.441 57.238 55.803 -0.011 0.000 0.847 348 Q CB -0.235 28.497 28.738 -0.011 0.000 0.903 348 Q HN 0.754 nan 8.270 nan 0.000 0.433 349 I N -0.141 120.420 120.570 -0.015 0.000 2.617 349 I HA -0.153 4.017 4.170 -0.000 0.000 0.256 349 I C 2.367 178.473 176.117 -0.018 0.000 1.167 349 I CA 0.504 61.792 61.300 -0.019 0.000 1.469 349 I CB -0.104 37.883 38.000 -0.021 0.000 1.098 349 I HN 0.070 nan 8.210 nan 0.000 0.436 350 R N 0.897 121.388 120.500 -0.015 0.000 2.152 350 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 350 R C 2.202 178.494 176.300 -0.012 0.000 1.117 350 R CA 1.310 57.402 56.100 -0.013 0.000 0.981 350 R CB 0.022 30.316 30.300 -0.010 0.000 0.870 350 R HN 0.402 nan 8.270 nan 0.000 0.451 351 Q N -0.862 118.931 119.800 -0.012 0.000 2.250 351 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 351 Q C 1.744 177.736 176.000 -0.012 0.000 0.941 351 Q CA 0.498 56.295 55.803 -0.011 0.000 0.872 351 Q CB 0.400 29.133 28.738 -0.009 0.000 0.965 351 Q HN 0.372 nan 8.270 nan 0.000 0.480 352 Q N 0.399 120.190 119.800 -0.015 0.000 2.248 352 Q HA -0.166 4.174 4.340 -0.000 0.000 0.208 352 Q C 1.917 177.906 176.000 -0.018 0.000 0.984 352 Q CA 1.117 56.909 55.803 -0.018 0.000 0.875 352 Q CB -0.152 28.572 28.738 -0.024 0.000 0.910 352 Q HN 0.506 nan 8.270 nan 0.000 0.433 353 I N 0.723 121.282 120.570 -0.018 0.000 2.617 353 I HA -0.176 3.994 4.170 -0.000 0.000 0.256 353 I C 1.999 178.109 176.117 -0.011 0.000 1.167 353 I CA 0.623 61.913 61.300 -0.017 0.000 1.469 353 I CB -0.189 37.800 38.000 -0.018 0.000 1.098 353 I HN 0.073 nan 8.210 nan 0.000 0.436 354 E N 1.477 121.671 120.200 -0.010 0.000 2.072 354 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 354 E C 1.177 177.774 176.600 -0.005 0.000 0.982 354 E CA 1.019 57.415 56.400 -0.007 0.000 0.803 354 E CB -0.296 29.400 29.700 -0.006 0.000 0.755 354 E HN 0.580 nan 8.360 nan 0.000 0.453 355 E N 1.148 121.344 120.200 -0.006 0.000 2.301 355 E HA 0.252 4.602 4.350 -0.000 0.000 0.195 355 E C -0.243 176.355 176.600 -0.003 0.000 1.171 355 E CA -0.304 56.093 56.400 -0.004 0.000 1.142 355 E CB 0.220 29.917 29.700 -0.005 0.000 1.218 355 E HN 0.076 nan 8.360 nan 0.000 0.448 356 A N 1.248 124.066 122.820 -0.003 0.000 2.409 356 A HA 0.148 4.468 4.320 -0.000 0.000 0.267 356 A C 1.260 178.846 177.584 0.005 0.000 1.127 356 A CA -0.207 51.829 52.037 -0.001 0.000 0.795 356 A CB 0.145 19.143 19.000 -0.003 0.000 1.061 356 A HN 0.282 nan 8.150 nan 0.000 0.502 357 T N -0.877 113.682 114.554 0.009 0.000 3.001 357 T HA 0.358 4.708 4.350 -0.000 0.000 0.251 357 T C 0.661 175.373 174.700 0.020 0.000 1.040 357 T CA 0.597 62.704 62.100 0.013 0.000 0.985 357 T CB -0.044 68.831 68.868 0.012 0.000 1.011 357 T HN 0.772 nan 8.240 nan 0.000 0.509 358 S N -0.765 114.953 115.700 0.029 0.000 2.618 358 S HA 0.415 4.885 4.470 -0.000 0.000 0.277 358 S C -0.390 174.242 174.600 0.053 0.000 1.138 358 S CA -0.582 57.645 58.200 0.046 0.000 0.844 358 S CB 1.701 64.941 63.200 0.067 0.000 1.127 358 S HN 0.062 nan 8.310 nan 0.000 0.474 359 D N 0.595 121.036 120.400 0.068 0.000 2.183 359 D HA -0.024 4.616 4.640 -0.000 0.000 0.203 359 D C 1.199 177.556 176.300 0.096 0.000 0.969 359 D CA 1.109 55.149 54.000 0.066 0.000 0.842 359 D CB -0.120 40.719 40.800 0.065 0.000 0.957 359 D HN 0.578 nan 8.370 nan 0.000 0.484 360 Y N 2.159 122.456 120.300 -0.004 0.000 2.092 360 Y HA -0.191 4.359 4.550 0.000 0.000 0.282 360 Y C 1.679 177.571 175.900 -0.013 0.000 1.126 360 Y CA 1.745 59.841 58.100 -0.006 0.000 1.111 360 Y CB -0.469 37.987 38.460 -0.006 0.000 0.987 360 Y HN -0.166 nan 8.280 nan 0.000 0.489 361 D N -0.431 120.016 120.400 0.079 0.000 2.220 361 D HA -0.242 4.398 4.640 -0.000 0.000 0.198 361 D C 2.229 178.483 176.300 -0.077 0.000 1.001 361 D CA 1.720 55.707 54.000 -0.021 0.000 0.875 361 D CB -0.201 40.616 40.800 0.028 0.000 0.921 361 D HN 0.291 nan 8.370 nan 0.000 0.454 362 R N 0.389 120.859 120.500 -0.050 0.000 2.064 362 R HA -0.121 4.219 4.340 -0.000 0.000 0.228 362 R C 1.969 178.216 176.300 -0.087 0.000 1.144 362 R CA 1.110 57.179 56.100 -0.051 0.000 0.932 362 R CB 0.070 30.358 30.300 -0.021 0.000 0.833 362 R HN 0.061 nan 8.270 nan 0.000 0.429 363 E N 1.167 121.303 120.200 -0.106 0.000 2.045 363 E HA -0.253 4.097 4.350 -0.000 0.000 0.212 363 E C 1.664 178.167 176.600 -0.163 0.000 1.039 363 E CA 1.422 57.746 56.400 -0.127 0.000 0.860 363 E CB -0.339 29.271 29.700 -0.149 0.000 0.776 363 E HN 0.215 nan 8.360 nan 0.000 0.467 364 K N 0.604 120.839 120.400 -0.275 0.000 2.589 364 K HA -0.062 4.258 4.320 -0.000 0.000 0.195 364 K C 2.039 178.549 176.600 -0.150 0.000 1.040 364 K CA 0.480 56.620 56.287 -0.244 0.000 0.950 364 K CB -0.256 32.025 32.500 -0.364 0.000 0.781 364 K HN 0.269 nan 8.250 nan 0.000 0.486 365 L N -0.645 120.508 121.223 -0.118 0.000 2.425 365 L HA 0.024 4.364 4.340 -0.000 0.000 0.215 365 L C 2.055 178.890 176.870 -0.057 0.000 1.065 365 L CA 0.255 55.048 54.840 -0.078 0.000 0.842 365 L CB -0.068 41.952 42.059 -0.065 0.000 1.033 365 L HN 0.099 nan 8.230 nan 0.000 0.474 366 Q N 0.095 119.861 119.800 -0.057 0.000 2.297 366 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 366 Q C 1.682 177.660 176.000 -0.036 0.000 0.962 366 Q CA 0.977 56.756 55.803 -0.040 0.000 0.879 366 Q CB 0.218 28.935 28.738 -0.036 0.000 0.947 366 Q HN 0.499 nan 8.270 nan 0.000 0.462 367 E N 0.515 120.687 120.200 -0.048 0.000 2.051 367 E HA -0.076 4.274 4.350 -0.000 0.000 0.189 367 E C 2.020 178.604 176.600 -0.027 0.000 0.979 367 E CA 0.301 56.679 56.400 -0.036 0.000 0.803 367 E CB 0.110 29.782 29.700 -0.047 0.000 0.761 367 E HN 0.180 nan 8.360 nan 0.000 0.451 368 R N 0.707 121.183 120.500 -0.039 0.000 2.105 368 R HA -0.147 4.193 4.340 -0.000 0.000 0.239 368 R C 2.574 178.863 176.300 -0.019 0.000 1.135 368 R CA 1.625 57.707 56.100 -0.030 0.000 0.967 368 R CB -0.382 29.892 30.300 -0.044 0.000 0.861 368 R HN 0.204 nan 8.270 nan 0.000 0.442 369 V N -2.370 117.531 119.914 -0.021 0.000 2.283 369 V HA -0.036 4.084 4.120 -0.000 0.000 0.243 369 V C 2.357 178.446 176.094 -0.009 0.000 1.039 369 V CA 1.472 63.763 62.300 -0.015 0.000 1.016 369 V CB -1.265 30.548 31.823 -0.017 0.000 0.650 369 V HN 0.214 nan 8.190 nan 0.000 0.449 370 A N 1.054 123.868 122.820 -0.010 0.000 1.859 370 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 370 A C 2.320 179.903 177.584 -0.001 0.000 1.209 370 A CA 2.950 54.983 52.037 -0.006 0.000 0.639 370 A CB -0.941 18.055 19.000 -0.008 0.000 0.835 370 A HN 0.628 nan 8.150 nan 0.000 0.450 371 K N -1.377 119.026 120.400 0.005 0.000 2.218 371 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 371 K C 1.718 178.328 176.600 0.017 0.000 1.046 371 K CA 1.427 57.724 56.287 0.016 0.000 0.933 371 K CB -0.244 32.276 32.500 0.034 0.000 0.728 371 K HN 0.406 nan 8.250 nan 0.000 0.454 372 L N -0.786 120.443 121.223 0.011 0.000 2.477 372 L HA 0.118 4.458 4.340 -0.000 0.000 0.220 372 L C 1.699 178.571 176.870 0.004 0.000 1.106 372 L CA 0.770 55.616 54.840 0.010 0.000 0.851 372 L CB 0.261 42.323 42.059 0.005 0.000 0.994 372 L HN 0.027 nan 8.230 nan 0.000 0.462 373 A N -1.332 121.489 122.820 0.001 0.000 1.993 373 A HA 0.349 4.669 4.320 -0.000 0.000 0.207 373 A C 1.815 179.397 177.584 -0.002 0.000 1.224 373 A CA 0.514 52.550 52.037 -0.002 0.000 0.749 373 A CB -0.648 18.350 19.000 -0.004 0.000 0.884 373 A HN 0.318 nan 8.150 nan 0.000 0.467 374 G N 0.239 109.038 108.800 -0.003 0.000 3.474 374 G HA2 0.419 4.379 3.960 -0.000 0.000 0.269 374 G HA3 0.419 4.379 3.960 -0.000 0.000 0.269 374 G C 1.047 175.944 174.900 -0.005 0.000 1.339 374 G CA 0.616 45.713 45.100 -0.004 0.000 1.258 374 G HN 0.789 nan 8.290 nan 0.000 0.560 375 G N 0.200 108.998 108.800 -0.002 0.000 2.998 375 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.855 375 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.855 375 G C 0.140 175.036 174.900 -0.008 0.000 1.032 375 G CA 1.082 46.181 45.100 -0.003 0.000 0.804 375 G HN 0.960 nan 8.290 nan 0.000 0.970 376 V N -0.614 119.294 119.914 -0.011 0.000 2.971 376 V HA 0.711 4.831 4.120 -0.000 0.000 0.309 376 V C 0.396 176.480 176.094 -0.017 0.000 1.130 376 V CA -0.374 61.916 62.300 -0.017 0.000 0.964 376 V CB 1.653 33.464 31.823 -0.021 0.000 1.029 376 V HN 1.429 nan 8.190 nan 0.000 0.427 377 A N 2.584 125.391 122.820 -0.021 0.000 2.310 377 A HA 0.846 5.166 4.320 -0.000 0.000 0.299 377 A C -0.764 176.808 177.584 -0.020 0.000 1.147 377 A CA -0.501 51.525 52.037 -0.019 0.000 0.818 377 A CB 1.274 20.262 19.000 -0.020 0.000 1.096 377 A HN 0.817 nan 8.150 nan 0.000 0.495 378 V N 3.989 123.893 119.914 -0.016 0.000 2.482 378 V HA 0.318 4.438 4.120 -0.000 0.000 0.295 378 V C -0.670 175.417 176.094 -0.012 0.000 1.026 378 V CA -0.110 62.181 62.300 -0.015 0.000 0.856 378 V CB 1.397 33.212 31.823 -0.014 0.000 1.001 378 V HN 0.750 nan 8.190 nan 0.000 0.424 379 I N 5.438 126.001 120.570 -0.012 0.000 2.328 379 I HA 0.415 4.585 4.170 -0.000 0.000 0.287 379 I C 0.104 176.218 176.117 -0.006 0.000 1.012 379 I CA -0.542 60.753 61.300 -0.008 0.000 1.195 379 I CB 1.216 39.211 38.000 -0.008 0.000 1.350 379 I HN 0.442 nan 8.210 nan 0.000 0.464 380 K N 6.174 126.572 120.400 -0.005 0.000 2.266 380 K HA 0.369 4.689 4.320 -0.000 0.000 0.274 380 K C -0.297 176.302 176.600 -0.002 0.000 1.090 380 K CA -0.574 55.711 56.287 -0.003 0.000 0.925 380 K CB 1.264 33.761 32.500 -0.004 0.000 1.225 380 K HN 0.344 nan 8.250 nan 0.000 0.458 381 V N 2.452 122.366 119.914 0.000 0.000 3.083 381 V HA -0.133 3.987 4.120 -0.000 0.000 0.303 381 V C 1.662 177.756 176.094 0.001 0.000 1.151 381 V CA 0.498 62.799 62.300 0.002 0.000 1.275 381 V CB 0.132 31.957 31.823 0.004 0.000 0.950 381 V HN 0.953 nan 8.190 nan 0.000 0.506 382 G N 1.300 110.101 108.800 0.001 0.000 2.393 382 G HA2 0.509 4.469 3.960 -0.000 0.000 0.268 382 G HA3 0.509 4.469 3.960 -0.000 0.000 0.268 382 G C 0.124 175.025 174.900 0.002 0.000 1.472 382 G CA 0.473 45.574 45.100 0.001 0.000 1.059 382 G HN 1.376 nan 8.290 nan 0.000 0.555 383 A N -3.533 119.288 122.820 0.002 0.000 5.519 383 A HA 0.842 5.162 4.320 -0.000 0.000 0.158 383 A C 0.056 177.641 177.584 0.002 0.000 0.860 383 A CA 0.749 52.787 52.037 0.002 0.000 1.134 383 A CB -0.292 18.709 19.000 0.001 0.000 2.248 383 A HN 2.574 nan 8.150 nan 0.000 1.056 384 A N -0.607 122.214 122.820 0.002 0.000 3.033 384 A HA 0.576 4.896 4.320 -0.000 0.000 0.262 384 A C 1.014 178.599 177.584 0.002 0.000 1.301 384 A CA 1.149 53.187 52.037 0.002 0.000 0.727 384 A CB -2.608 16.393 19.000 0.001 0.000 1.094 384 A HN 3.569 nan 8.150 nan 0.000 0.374 385 T N -2.132 112.423 114.554 0.002 0.000 0.541 385 T HA -0.089 4.261 4.350 -0.000 0.000 0.774 385 T C 0.389 175.090 174.700 0.003 0.000 0.992 385 T CA 1.518 63.619 62.100 0.002 0.000 4.077 385 T CB -1.037 67.833 68.868 0.002 0.000 2.303 385 T HN 1.901 nan 8.240 nan 0.000 0.398 386 E N 0.971 121.173 120.200 0.003 0.000 2.058 386 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 386 E C 2.197 178.799 176.600 0.004 0.000 0.997 386 E CA 2.074 58.477 56.400 0.004 0.000 0.801 386 E CB -0.186 29.516 29.700 0.004 0.000 0.746 386 E HN 0.647 nan 8.360 nan 0.000 0.450 387 V N 1.378 121.294 119.914 0.004 0.000 2.332 387 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 387 V C 2.079 178.176 176.094 0.005 0.000 1.055 387 V CA 2.271 64.574 62.300 0.005 0.000 1.038 387 V CB -0.539 31.287 31.823 0.004 0.000 0.651 387 V HN 0.311 nan 8.190 nan 0.000 0.450 388 E N -0.793 119.409 120.200 0.004 0.000 2.158 388 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 388 E C 2.195 178.797 176.600 0.004 0.000 0.982 388 E CA 0.897 57.299 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 0.422 nan 8.360 nan 0.000 0.468 389 M N 1.242 120.844 119.600 0.004 0.000 2.117 389 M HA -0.143 4.337 4.480 -0.000 0.000 0.262 389 M C 1.555 177.858 176.300 0.006 0.000 1.065 389 M CA 1.511 56.813 55.300 0.005 0.000 1.114 389 M CB -0.136 32.467 32.600 0.004 0.000 1.361 389 M HN -0.147 nan 8.290 nan 0.000 0.408 390 K N 0.113 120.517 120.400 0.006 0.000 2.439 390 K HA -0.103 4.217 4.320 -0.000 0.000 0.197 390 K C 1.728 178.333 176.600 0.008 0.000 1.041 390 K CA 0.734 57.025 56.287 0.008 0.000 0.970 390 K CB -0.184 32.321 32.500 0.008 0.000 0.773 390 K HN 0.593 nan 8.250 nan 0.000 0.479 391 E N 0.975 121.180 120.200 0.007 0.000 2.166 391 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 391 E C 1.870 178.474 176.600 0.008 0.000 0.967 391 E CA 0.459 56.863 56.400 0.007 0.000 0.840 391 E CB 0.289 29.992 29.700 0.006 0.000 0.795 391 E HN 0.078 nan 8.360 nan 0.000 0.470 392 K N 1.156 121.560 120.400 0.007 0.000 2.062 392 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 392 K C 2.241 178.847 176.600 0.010 0.000 1.051 392 K CA 1.153 57.444 56.287 0.008 0.000 0.941 392 K CB 0.017 32.520 32.500 0.006 0.000 0.719 392 K HN -0.089 nan 8.250 nan 0.000 0.440 393 K N 0.364 120.770 120.400 0.010 0.000 2.059 393 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 393 K C 1.905 178.515 176.600 0.017 0.000 1.050 393 K CA 1.617 57.911 56.287 0.012 0.000 0.927 393 K CB -0.219 32.288 32.500 0.011 0.000 0.714 393 K HN 0.212 nan 8.250 nan 0.000 0.447 394 A N 1.445 124.275 122.820 0.016 0.000 1.845 394 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 394 A C 2.060 179.656 177.584 0.021 0.000 1.195 394 A CA 1.649 53.697 52.037 0.018 0.000 0.616 394 A CB -0.589 18.419 19.000 0.013 0.000 0.832 394 A HN 0.379 nan 8.150 nan 0.000 0.443 395 R N -0.632 119.878 120.500 0.016 0.000 2.170 395 R HA -0.104 4.236 4.340 -0.000 0.000 0.242 395 R C 1.913 178.227 176.300 0.023 0.000 1.145 395 R CA 1.298 57.408 56.100 0.017 0.000 0.984 395 R CB -0.571 29.736 30.300 0.012 0.000 0.869 395 R HN 0.425 nan 8.270 nan 0.000 0.455 396 V N 0.997 120.924 119.914 0.023 0.000 2.283 396 V HA -0.201 3.919 4.120 -0.000 0.000 0.243 396 V C 1.986 178.104 176.094 0.040 0.000 1.039 396 V CA 1.708 64.023 62.300 0.024 0.000 1.016 396 V CB -0.333 31.500 31.823 0.017 0.000 0.650 396 V HN 0.315 nan 8.190 nan 0.000 0.449 397 E N 0.463 120.694 120.200 0.051 0.000 2.049 397 E HA -0.259 4.091 4.350 -0.000 0.000 0.198 397 E C 2.305 178.992 176.600 0.145 0.000 1.007 397 E CA 1.542 57.999 56.400 0.096 0.000 0.809 397 E CB -0.421 29.337 29.700 0.097 0.000 0.749 397 E HN 0.582 nan 8.360 nan 0.000 0.450 398 A N 1.405 124.277 122.820 0.087 0.000 1.908 398 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 398 A C 2.359 179.997 177.584 0.090 0.000 1.181 398 A CA 1.959 54.037 52.037 0.069 0.000 0.627 398 A CB -0.771 18.243 19.000 0.024 0.000 0.818 398 A HN 0.314 nan 8.150 nan 0.000 0.445 399 A N -0.265 122.593 122.820 0.063 0.000 1.832 399 A HA 0.012 4.332 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 1.743 53.810 52.037 0.050 0.000 0.610 399 A CB -0.943 18.075 19.000 0.030 0.000 0.842 399 A HN 0.968 nan 8.150 nan 0.000 0.444 400 L N -0.294 120.955 121.223 0.043 0.000 2.010 400 L HA -0.297 4.043 4.340 -0.000 0.000 0.219 400 L C 2.266 179.141 176.870 0.009 0.000 1.077 400 L CA 2.831 57.677 54.840 0.010 0.000 0.773 400 L CB -1.208 40.841 42.059 -0.016 0.000 0.892 400 L HN 0.576 nan 8.230 nan 0.000 0.436 401 H N -0.141 118.928 119.070 -0.001 0.000 2.355 401 H HA -0.209 4.347 4.556 -0.000 0.000 0.293 401 H C 2.083 177.413 175.328 0.003 0.000 1.060 401 H CA 2.264 58.312 56.048 0.001 0.000 1.167 401 H CB -0.640 29.123 29.762 0.002 0.000 1.376 401 H HN 0.533 nan 8.280 nan 0.000 0.549 402 A N 0.019 122.943 122.820 0.174 0.000 1.997 402 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 402 A C 2.684 180.302 177.584 0.056 0.000 1.172 402 A CA 2.381 54.473 52.037 0.093 0.000 0.645 402 A CB -1.039 17.998 19.000 0.062 0.000 0.813 402 A HN 0.527 nan 8.150 nan 0.000 0.454 403 T N -0.911 113.669 114.554 0.043 0.000 2.643 403 T HA -0.145 4.205 4.350 -0.000 0.000 0.264 403 T C 2.168 176.876 174.700 0.012 0.000 1.045 403 T CA 1.336 63.449 62.100 0.021 0.000 1.155 403 T CB -0.272 68.603 68.868 0.011 0.000 0.863 403 T HN 0.364 nan 8.240 nan 0.000 0.420 404 R N 1.267 121.766 120.500 -0.001 0.000 2.159 404 R HA -0.114 4.226 4.340 -0.000 0.000 0.249 404 R C 2.413 178.717 176.300 0.005 0.000 1.136 404 R CA 1.968 58.060 56.100 -0.014 0.000 0.951 404 R CB -1.222 29.049 30.300 -0.049 0.000 0.876 404 R HN 0.453 nan 8.270 nan 0.000 0.440 405 A N -0.497 122.338 122.820 0.025 0.000 2.216 405 A HA 0.065 4.385 4.320 -0.000 0.000 0.214 405 A C 2.058 179.656 177.584 0.023 0.000 1.160 405 A CA 1.517 53.573 52.037 0.032 0.000 0.725 405 A CB -0.253 18.780 19.000 0.055 0.000 0.784 405 A HN 0.428 nan 8.150 nan 0.000 0.472 406 A N -0.954 121.878 122.820 0.019 0.000 1.942 406 A HA 0.235 4.555 4.320 -0.000 0.000 0.209 406 A C 2.014 179.604 177.584 0.010 0.000 1.214 406 A CA 0.989 53.035 52.037 0.015 0.000 0.686 406 A CB -0.550 18.460 19.000 0.016 0.000 0.871 406 A HN 0.278 nan 8.150 nan 0.000 0.460 407 V N 0.692 120.610 119.914 0.007 0.000 2.324 407 V HA -0.316 3.804 4.120 -0.000 0.000 0.250 407 V C 2.392 178.488 176.094 0.004 0.000 1.060 407 V CA 2.488 64.790 62.300 0.003 0.000 1.042 407 V CB -0.853 30.970 31.823 -0.001 0.000 0.650 407 V HN 0.615 nan 8.190 nan 0.000 0.450 408 E N -0.047 120.156 120.200 0.005 0.000 2.006 408 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 408 E C 1.545 178.148 176.600 0.005 0.000 0.993 408 E CA 1.388 57.791 56.400 0.005 0.000 0.808 408 E CB -0.040 29.664 29.700 0.007 0.000 0.764 408 E HN 0.658 nan 8.360 nan 0.000 0.449 409 E N -0.284 119.920 120.200 0.007 0.000 2.685 409 E HA 0.257 4.606 4.350 -0.000 0.000 0.208 409 E C 0.088 176.692 176.600 0.007 0.000 0.996 409 E CA 0.004 56.407 56.400 0.005 0.000 1.054 409 E CB 1.287 30.989 29.700 0.003 0.000 1.075 409 E HN 0.321 nan 8.360 nan 0.000 0.460 410 G N 0.998 109.802 108.800 0.008 0.000 2.642 410 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.231 410 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.231 410 G C -0.301 174.606 174.900 0.012 0.000 1.338 410 G CA -0.375 44.730 45.100 0.009 0.000 0.883 410 G HN 0.633 nan 8.290 nan 0.000 0.570 411 V N -3.096 116.826 119.914 0.012 0.000 3.147 411 V HA 0.978 5.098 4.120 -0.000 0.000 0.306 411 V C -0.160 175.943 176.094 0.015 0.000 1.209 411 V CA 0.386 62.695 62.300 0.014 0.000 1.023 411 V CB 1.461 33.293 31.823 0.015 0.000 1.059 411 V HN 2.640 nan 8.190 nan 0.000 0.435 412 V N 2.091 122.015 119.914 0.017 0.000 3.178 412 V HA 0.901 5.021 4.120 -0.000 0.000 0.302 412 V C 0.486 176.593 176.094 0.021 0.000 1.262 412 V CA -0.255 62.056 62.300 0.019 0.000 1.030 412 V CB 1.879 33.712 31.823 0.017 0.000 1.074 412 V HN 2.672 nan 8.190 nan 0.000 0.438 413 A N 3.552 126.388 122.820 0.026 0.000 2.500 413 A HA 0.408 4.728 4.320 -0.000 0.000 0.286 413 A C 1.057 178.655 177.584 0.024 0.000 1.170 413 A CA 1.086 53.141 52.037 0.029 0.000 0.951 413 A CB -1.357 17.666 19.000 0.038 0.000 0.965 413 A HN 2.078 nan 8.150 nan 0.000 0.551 414 G N 1.415 110.228 108.800 0.021 0.000 2.468 414 G HA2 0.511 4.471 3.960 -0.000 0.000 0.264 414 G HA3 0.511 4.471 3.960 -0.000 0.000 0.264 414 G C 1.254 176.166 174.900 0.019 0.000 1.460 414 G CA -0.060 45.051 45.100 0.018 0.000 1.060 414 G HN 2.211 nan 8.290 nan 0.000 0.543 415 G N -2.234 106.576 108.800 0.016 0.000 2.249 415 G HA2 0.226 4.186 3.960 -0.000 0.000 0.273 415 G HA3 0.226 4.186 3.960 -0.000 0.000 0.273 415 G C 1.504 176.414 174.900 0.016 0.000 1.036 415 G CA 1.164 46.275 45.100 0.019 0.000 0.824 415 G HN 2.484 nan 8.290 nan 0.000 0.504 416 G N -2.807 105.999 108.800 0.010 0.000 2.253 416 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.251 416 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.251 416 G C 1.939 176.843 174.900 0.007 0.000 0.998 416 G CA 1.835 46.938 45.100 0.004 0.000 0.621 416 G HN 2.047 nan 8.290 nan 0.000 0.524 417 V N -0.877 119.046 119.914 0.015 0.000 2.270 417 V HA 0.277 4.397 4.120 -0.000 0.000 0.245 417 V C 3.107 179.215 176.094 0.022 0.000 1.043 417 V CA 2.345 64.657 62.300 0.020 0.000 1.014 417 V CB -1.781 30.058 31.823 0.027 0.000 0.645 417 V HN 1.716 nan 8.190 nan 0.000 0.447 418 A N 1.551 124.384 122.820 0.022 0.000 1.899 418 A HA -0.304 4.016 4.320 -0.000 0.000 0.230 418 A C 2.281 179.875 177.584 0.018 0.000 1.593 418 A CA 3.219 55.269 52.037 0.021 0.000 0.728 418 A CB -1.145 17.865 19.000 0.017 0.000 0.848 418 A HN 0.632 nan 8.150 nan 0.000 0.490 419 L N -1.001 120.230 121.223 0.014 0.000 2.005 419 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 419 L C 2.614 179.491 176.870 0.013 0.000 1.072 419 L CA 1.616 56.462 54.840 0.011 0.000 0.744 419 L CB -0.761 41.303 42.059 0.007 0.000 0.895 419 L HN 0.441 nan 8.230 nan 0.000 0.433 420 I N -0.290 120.287 120.570 0.013 0.000 2.315 420 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 420 I C 2.812 178.942 176.117 0.023 0.000 1.125 420 I CA 0.905 62.214 61.300 0.015 0.000 1.392 420 I CB -0.434 37.574 38.000 0.014 0.000 1.065 420 I HN 0.281 nan 8.210 nan 0.000 0.424 421 R N 1.470 121.987 120.500 0.028 0.000 2.082 421 R HA -0.108 4.232 4.340 -0.000 0.000 0.228 421 R C 2.192 178.508 176.300 0.026 0.000 1.140 421 R CA 1.846 57.967 56.100 0.035 0.000 0.920 421 R CB -1.111 29.213 30.300 0.040 0.000 0.828 421 R HN 0.094 nan 8.270 nan 0.000 0.430 422 V N 1.279 121.206 119.914 0.021 0.000 2.218 422 V HA -0.339 3.781 4.120 -0.000 0.000 0.251 422 V C 2.273 178.374 176.094 0.013 0.000 1.057 422 V CA 2.597 64.905 62.300 0.015 0.000 1.022 422 V CB -1.256 30.573 31.823 0.011 0.000 0.645 422 V HN 0.621 nan 8.190 nan 0.000 0.451 423 A N 0.260 123.087 122.820 0.011 0.000 2.245 423 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 423 A C 2.326 179.917 177.584 0.011 0.000 1.171 423 A CA 2.082 54.125 52.037 0.009 0.000 0.688 423 A CB -0.628 18.377 19.000 0.008 0.000 0.781 423 A HN 0.799 nan 8.150 nan 0.000 0.479 424 S N -1.043 114.666 115.700 0.016 0.000 2.478 424 S HA 0.049 4.519 4.470 -0.000 0.000 0.222 424 S C 1.665 176.274 174.600 0.015 0.000 1.008 424 S CA 0.702 58.912 58.200 0.017 0.000 0.928 424 S CB -0.015 63.200 63.200 0.025 0.000 0.781 424 S HN 0.623 nan 8.310 nan 0.000 0.518 425 K N 1.439 121.847 120.400 0.014 0.000 2.044 425 K HA 0.268 4.588 4.320 -0.000 0.000 0.204 425 K C 1.278 177.883 176.600 0.008 0.000 1.045 425 K CA 0.757 57.051 56.287 0.011 0.000 0.951 425 K CB -0.447 32.060 32.500 0.012 0.000 0.738 425 K HN 0.296 nan 8.250 nan 0.000 0.443 426 L N 1.754 122.981 121.223 0.007 0.000 2.885 426 L HA -0.048 4.292 4.340 -0.000 0.000 0.258 426 L C 1.744 178.617 176.870 0.004 0.000 1.146 426 L CA -0.315 54.528 54.840 0.005 0.000 0.922 426 L CB -0.754 41.308 42.059 0.004 0.000 1.138 426 L HN 0.204 nan 8.230 nan 0.000 0.431 427 A N -0.650 122.173 122.820 0.005 0.000 2.172 427 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 427 A C 1.768 179.354 177.584 0.003 0.000 1.154 427 A CA 1.204 53.244 52.037 0.005 0.000 0.701 427 A CB -0.161 18.842 19.000 0.006 0.000 0.789 427 A HN 0.396 nan 8.150 nan 0.000 0.465 428 D N -1.207 119.195 120.400 0.003 0.000 2.392 428 D HA 0.099 4.739 4.640 -0.000 0.000 0.206 428 D C 0.372 176.673 176.300 0.002 0.000 1.046 428 D CA -0.225 53.776 54.000 0.002 0.000 0.865 428 D CB 0.021 40.823 40.800 0.002 0.000 0.969 428 D HN 0.350 nan 8.370 nan 0.000 0.509 429 L N 2.268 123.492 121.223 0.002 0.000 2.578 429 L HA -0.005 4.335 4.340 -0.000 0.000 0.279 429 L C 0.165 177.036 176.870 0.001 0.000 1.227 429 L CA 0.780 55.621 54.840 0.001 0.000 0.900 429 L CB 0.070 42.130 42.059 0.001 0.000 1.144 429 L HN -0.153 nan 8.230 nan 0.000 0.496 430 R N 3.133 123.633 120.500 0.000 0.000 2.817 430 R HA 0.711 5.051 4.340 -0.000 0.000 0.268 430 R C -0.249 176.051 176.300 -0.000 0.000 1.027 430 R CA -0.332 55.768 56.100 -0.000 0.000 0.928 430 R CB 1.488 31.788 30.300 -0.000 0.000 1.228 430 R HN 0.800 nan 8.270 nan 0.000 0.469 431 G N -0.340 108.460 108.800 -0.001 0.000 3.212 431 G HA2 0.225 4.185 3.960 -0.000 0.000 0.188 431 G HA3 0.225 4.185 3.960 -0.000 0.000 0.188 431 G C 0.038 174.938 174.900 -0.001 0.000 1.254 431 G CA -0.188 44.911 45.100 -0.001 0.000 0.957 431 G HN 0.416 nan 8.290 nan 0.000 0.596 432 Q N -0.388 119.411 119.800 -0.001 0.000 2.204 432 Q HA 0.110 4.450 4.340 -0.000 0.000 0.198 432 Q C -0.098 175.901 176.000 -0.002 0.000 0.946 432 Q CA 0.679 56.481 55.803 -0.002 0.000 0.859 432 Q CB 0.139 28.876 28.738 -0.002 0.000 0.946 432 Q HN 0.587 nan 8.270 nan 0.000 0.474 433 N N -1.452 117.247 118.700 -0.002 0.000 2.321 433 N HA 0.403 5.143 4.740 -0.000 0.000 0.290 433 N C -0.041 175.468 175.510 -0.001 0.000 1.212 433 N CA -0.026 53.023 53.050 -0.002 0.000 0.767 433 N CB 0.766 39.252 38.487 -0.002 0.000 1.494 433 N HN -0.069 nan 8.380 nan 0.000 0.479 434 A N 0.513 123.332 122.820 -0.001 0.000 1.915 434 A HA -0.258 4.062 4.320 -0.000 0.000 0.220 434 A C 1.018 178.602 177.584 -0.001 0.000 1.198 434 A CA 2.075 54.111 52.037 -0.001 0.000 0.647 434 A CB -1.003 17.997 19.000 -0.001 0.000 0.825 434 A HN 0.759 nan 8.150 nan 0.000 0.456 435 D N -1.172 119.227 120.400 -0.001 0.000 2.411 435 D HA -0.061 4.579 4.640 -0.000 0.000 0.226 435 D C 1.636 177.935 176.300 -0.001 0.000 0.988 435 D CA 0.998 54.997 54.000 -0.002 0.000 0.938 435 D CB -0.035 40.764 40.800 -0.002 0.000 0.883 435 D HN 0.735 nan 8.370 nan 0.000 0.525 436 Q N -1.047 118.753 119.800 -0.001 0.000 2.342 436 Q HA 0.096 4.436 4.340 -0.000 0.000 0.261 436 Q C 1.379 177.379 176.000 -0.001 0.000 0.841 436 Q CA -0.233 55.569 55.803 -0.001 0.000 0.969 436 Q CB 0.541 29.278 28.738 -0.001 0.000 1.136 436 Q HN 0.023 nan 8.270 nan 0.000 0.528 437 N N 0.172 118.871 118.700 -0.001 0.000 2.188 437 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 437 N C 1.670 177.180 175.510 0.000 0.000 1.018 437 N CA 1.049 54.099 53.050 -0.000 0.000 0.858 437 N CB 0.046 38.533 38.487 -0.000 0.000 0.989 437 N HN 0.043 nan 8.380 nan 0.000 0.426 438 V N 0.693 120.607 119.914 0.000 0.000 2.453 438 V HA -0.070 4.050 4.120 -0.000 0.000 0.247 438 V C 2.299 178.393 176.094 0.001 0.000 1.048 438 V CA 1.735 64.035 62.300 0.000 0.000 1.049 438 V CB -1.004 30.819 31.823 0.000 0.000 0.672 438 V HN 0.317 nan 8.190 nan 0.000 0.457 439 G N -0.527 108.273 108.800 0.000 0.000 2.535 439 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 439 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 439 G C 1.394 176.294 174.900 0.001 0.000 1.122 439 G CA 0.763 45.864 45.100 0.001 0.000 0.769 439 G HN 0.512 nan 8.290 nan 0.000 0.549 440 I N -0.548 120.022 120.570 0.001 0.000 2.726 440 I HA 0.051 4.221 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 0.171 61.471 61.300 0.001 0.000 1.447 440 I CB -0.117 37.884 38.000 0.001 0.000 1.250 440 I HN -0.160 nan 8.210 nan 0.000 0.453 441 K N 1.024 121.425 120.400 0.001 0.000 2.163 441 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 441 K C 2.074 178.675 176.600 0.002 0.000 1.048 441 K CA 1.225 57.513 56.287 0.002 0.000 0.928 441 K CB -1.000 31.501 32.500 0.001 0.000 0.716 441 K HN 0.193 nan 8.250 nan 0.000 0.459 442 V N 1.240 121.155 119.914 0.002 0.000 2.261 442 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 442 V C 2.412 178.507 176.094 0.002 0.000 1.047 442 V CA 2.082 64.383 62.300 0.002 0.000 1.015 442 V CB -0.733 31.091 31.823 0.002 0.000 0.642 442 V HN 0.378 nan 8.190 nan 0.000 0.446 443 A N -0.894 121.928 122.820 0.002 0.000 2.070 443 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 443 A C 2.130 179.715 177.584 0.003 0.000 1.159 443 A CA 1.564 53.602 52.037 0.003 0.000 0.656 443 A CB -0.374 18.628 19.000 0.002 0.000 0.800 443 A HN 0.545 nan 8.150 nan 0.000 0.453 444 L N -1.617 119.607 121.223 0.003 0.000 2.071 444 L HA -0.010 4.330 4.340 -0.000 0.000 0.201 444 L C 2.626 179.498 176.870 0.003 0.000 1.076 444 L CA 1.229 56.070 54.840 0.003 0.000 0.755 444 L CB -0.581 41.480 42.059 0.003 0.000 0.915 444 L HN 0.370 nan 8.230 nan 0.000 0.445 445 R N 0.917 121.418 120.500 0.002 0.000 2.226 445 R HA -0.179 4.161 4.340 -0.000 0.000 0.246 445 R C 1.677 177.977 176.300 0.000 0.000 1.161 445 R CA 1.318 57.419 56.100 0.001 0.000 0.997 445 R CB -0.102 30.198 30.300 0.001 0.000 0.870 445 R HN 0.382 nan 8.270 nan 0.000 0.465 446 A N -0.417 122.404 122.820 0.001 0.000 2.307 446 A HA 0.131 4.451 4.320 -0.000 0.000 0.218 446 A C 1.423 179.008 177.584 0.002 0.000 1.228 446 A CA -0.020 52.018 52.037 0.001 0.000 0.857 446 A CB 0.073 19.075 19.000 0.003 0.000 0.897 446 A HN 0.323 nan 8.150 nan 0.000 0.495 447 M N -1.482 118.119 119.600 0.002 0.000 2.367 447 M HA 0.132 4.612 4.480 -0.000 0.000 0.256 447 M C 1.014 177.314 176.300 -0.000 0.000 1.091 447 M CA 0.372 55.674 55.300 0.002 0.000 1.049 447 M CB 0.230 32.833 32.600 0.004 0.000 1.406 447 M HN 0.325 nan 8.290 nan 0.000 0.498 448 E N 1.111 121.310 120.200 -0.002 0.000 2.511 448 E HA 0.052 4.402 4.350 -0.000 0.000 0.196 448 E C 1.734 178.326 176.600 -0.013 0.000 1.066 448 E CA 0.185 56.581 56.400 -0.007 0.000 0.871 448 E CB 0.167 29.863 29.700 -0.007 0.000 0.863 448 E HN 0.461 nan 8.360 nan 0.000 0.520 449 A N 2.100 124.914 122.820 -0.009 0.000 1.826 449 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 449 A C -0.391 177.183 177.584 -0.016 0.000 1.212 449 A CA 0.696 52.725 52.037 -0.012 0.000 0.605 449 A CB -1.471 17.525 19.000 -0.006 0.000 0.861 449 A HN 0.075 nan 8.150 nan 0.000 0.447 450 P HA -0.221 nan 4.420 nan 0.000 0.219 450 P C 1.669 178.956 177.300 -0.022 0.000 1.158 450 P CA 1.508 64.601 63.100 -0.011 0.000 0.895 450 P CB -0.071 31.626 31.700 -0.004 0.000 0.792 451 L N -0.776 120.431 121.223 -0.027 0.000 1.961 451 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 451 L C 2.413 179.241 176.870 -0.069 0.000 1.075 451 L CA 1.747 56.559 54.840 -0.047 0.000 0.749 451 L CB -0.876 41.154 42.059 -0.048 0.000 0.890 451 L HN -0.289 nan 8.230 nan 0.000 0.433 452 R N -0.994 119.469 120.500 -0.062 0.000 2.257 452 R HA -0.305 4.035 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 1.896 57.957 56.100 -0.066 0.000 1.010 452 R CB -0.309 29.965 30.300 -0.042 0.000 0.883 452 R HN 0.489 nan 8.270 nan 0.000 0.473 453 Q N 0.518 120.289 119.800 -0.048 0.000 2.013 453 Q HA -0.001 4.339 4.340 -0.000 0.000 0.195 453 Q C 1.883 177.855 176.000 -0.046 0.000 0.974 453 Q CA 1.393 57.173 55.803 -0.039 0.000 0.826 453 Q CB -0.060 28.663 28.738 -0.025 0.000 0.895 453 Q HN 0.333 nan 8.270 nan 0.000 0.448 454 I N 0.004 120.547 120.570 -0.045 0.000 2.315 454 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 454 I C 1.909 177.986 176.117 -0.066 0.000 1.125 454 I CA 0.867 62.143 61.300 -0.040 0.000 1.392 454 I CB -0.585 37.401 38.000 -0.025 0.000 1.065 454 I HN 0.018 nan 8.210 nan 0.000 0.424 455 V N 0.851 120.691 119.914 -0.123 0.000 2.913 455 V HA -0.189 3.931 4.120 -0.000 0.000 0.260 455 V C 2.194 178.220 176.094 -0.113 0.000 1.098 455 V CA 1.258 63.441 62.300 -0.195 0.000 1.121 455 V CB -0.282 31.370 31.823 -0.285 0.000 0.714 455 V HN 0.363 nan 8.190 nan 0.000 0.487 456 L N 0.198 121.377 121.223 -0.074 0.000 2.249 456 L HA 0.183 4.523 4.340 -0.000 0.000 0.207 456 L C 1.797 178.648 176.870 -0.031 0.000 1.090 456 L CA 1.344 56.156 54.840 -0.047 0.000 0.802 456 L CB -0.474 41.562 42.059 -0.038 0.000 0.947 456 L HN 0.262 nan 8.230 nan 0.000 0.453 457 N N -1.226 117.458 118.700 -0.027 0.000 2.567 457 N HA -0.050 4.690 4.740 -0.000 0.000 0.195 457 N C 0.589 176.094 175.510 -0.008 0.000 1.242 457 N CA 0.666 53.707 53.050 -0.014 0.000 0.884 457 N CB -0.358 38.123 38.487 -0.011 0.000 1.007 457 N HN 0.376 nan 8.380 nan 0.000 0.450 458 C N -1.677 117.616 119.300 -0.011 0.000 3.525 458 C HA 0.390 4.850 4.460 -0.000 0.000 0.289 458 C C 1.623 176.613 174.990 -0.000 0.000 1.496 458 C CA -0.347 58.673 59.018 0.003 0.000 1.804 458 C CB -0.397 27.356 27.740 0.021 0.000 2.708 458 C HN 0.471 nan 8.230 nan 0.000 0.642 459 G N 1.791 110.585 108.800 -0.010 0.000 2.180 459 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.263 459 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.263 459 G C -0.255 174.640 174.900 -0.008 0.000 0.989 459 G CA 0.553 45.648 45.100 -0.008 0.000 0.692 459 G HN 0.570 nan 8.290 nan 0.000 0.526 460 E N 0.998 121.186 120.200 -0.019 0.000 2.174 460 E HA 0.278 4.628 4.350 -0.000 0.000 0.282 460 E C 0.456 177.026 176.600 -0.049 0.000 0.992 460 E CA -0.518 55.868 56.400 -0.023 0.000 0.803 460 E CB 0.747 30.433 29.700 -0.023 0.000 1.090 460 E HN 0.582 nan 8.360 nan 0.000 0.396 461 E N 4.300 124.483 120.200 -0.027 0.000 2.757 461 E HA -0.099 4.251 4.350 -0.000 0.000 0.238 461 E C -1.555 175.012 176.600 -0.056 0.000 1.057 461 E CA -0.806 55.576 56.400 -0.030 0.000 0.952 461 E CB 0.230 29.924 29.700 -0.009 0.000 0.934 461 E HN 0.212 nan 8.360 nan 0.000 0.518 462 P HA -0.143 nan 4.420 nan 0.000 0.219 462 P C 1.023 178.288 177.300 -0.058 0.000 1.150 462 P CA 0.821 63.867 63.100 -0.090 0.000 0.814 462 P CB 0.306 31.962 31.700 -0.074 0.000 0.787 463 S N -0.316 115.363 115.700 -0.035 0.000 2.390 463 S HA -0.183 4.287 4.470 -0.000 0.000 0.234 463 S C 1.917 176.511 174.600 -0.010 0.000 1.063 463 S CA 1.890 60.079 58.200 -0.018 0.000 1.108 463 S CB -1.600 61.594 63.200 -0.010 0.000 0.975 463 S HN -0.005 nan 8.310 nan 0.000 0.442 464 V N 1.236 121.146 119.914 -0.006 0.000 2.284 464 V HA -0.075 4.045 4.120 -0.000 0.000 0.236 464 V C 2.347 178.458 176.094 0.029 0.000 1.044 464 V CA 1.227 63.538 62.300 0.019 0.000 1.019 464 V CB -1.010 30.837 31.823 0.040 0.000 0.657 464 V HN 0.362 nan 8.190 nan 0.000 0.465 465 V N 0.744 120.662 119.914 0.007 0.000 2.353 465 V HA -0.402 3.718 4.120 -0.000 0.000 0.260 465 V C 2.595 178.692 176.094 0.006 0.000 1.091 465 V CA 2.494 64.788 62.300 -0.010 0.000 1.088 465 V CB -1.362 30.237 31.823 -0.374 0.000 0.672 465 V HN 0.598 nan 8.190 nan 0.000 0.455 466 A N 0.231 123.032 122.820 -0.032 0.000 1.832 466 A HA -0.237 4.083 4.320 -0.000 0.000 0.214 466 A C 2.051 179.645 177.584 0.017 0.000 1.204 466 A CA 1.869 53.897 52.037 -0.015 0.000 0.606 466 A CB -0.910 18.074 19.000 -0.027 0.000 0.849 466 A HN 0.611 nan 8.150 nan 0.000 0.445 467 N N -0.563 118.146 118.700 0.015 0.000 2.111 467 N HA -0.196 4.544 4.740 -0.000 0.000 0.197 467 N C 1.592 177.122 175.510 0.033 0.000 1.011 467 N CA 2.760 55.823 53.050 0.022 0.000 0.880 467 N CB -0.517 37.980 38.487 0.018 0.000 1.031 467 N HN 0.388 nan 8.380 nan 0.000 0.444 468 T N -0.868 113.712 114.554 0.043 0.000 2.857 468 T HA -0.004 4.346 4.350 -0.000 0.000 0.266 468 T C 1.821 176.552 174.700 0.052 0.000 1.048 468 T CA 1.061 63.177 62.100 0.026 0.000 1.139 468 T CB -0.203 68.650 68.868 -0.024 0.000 0.874 468 T HN 0.073 nan 8.240 nan 0.000 0.455 469 V N 1.381 121.332 119.914 0.061 0.000 2.515 469 V HA -0.115 4.005 4.120 -0.000 0.000 0.250 469 V C 2.385 178.538 176.094 0.098 0.000 1.058 469 V CA 1.418 63.741 62.300 0.038 0.000 1.064 469 V CB -0.429 31.412 31.823 0.030 0.000 0.675 469 V HN 0.447 nan 8.190 nan 0.000 0.461 470 K N 0.473 120.916 120.400 0.072 0.000 2.031 470 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 470 K C 2.004 178.649 176.600 0.074 0.000 1.049 470 K CA 1.227 57.552 56.287 0.064 0.000 0.939 470 K CB -0.591 31.931 32.500 0.038 0.000 0.717 470 K HN 0.527 nan 8.250 nan 0.000 0.438 471 G N 0.722 109.563 108.800 0.069 0.000 2.894 471 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.203 471 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.203 471 G C 0.440 175.373 174.900 0.056 0.000 1.173 471 G CA 0.682 45.813 45.100 0.051 0.000 0.854 471 G HN 0.377 nan 8.290 nan 0.000 0.510 472 G N -0.483 108.380 108.800 0.105 0.000 3.291 472 G HA2 0.617 4.577 3.960 -0.000 0.000 0.173 472 G HA3 0.617 4.577 3.960 -0.000 0.000 0.173 472 G C -1.263 173.679 174.900 0.069 0.000 1.099 472 G CA 0.159 45.298 45.100 0.065 0.000 0.794 472 G HN 0.409 nan 8.290 nan 0.000 0.651 473 D N -3.059 117.396 120.400 0.091 0.000 2.913 473 D HA 0.521 5.161 4.640 -0.000 0.000 0.293 473 D C 0.407 176.763 176.300 0.093 0.000 1.238 473 D CA 0.683 54.729 54.000 0.076 0.000 0.738 473 D CB 0.345 41.161 40.800 0.028 0.000 1.254 473 D HN 1.961 nan 8.370 nan 0.000 0.429 474 G N 0.157 109.002 108.800 0.074 0.000 2.553 474 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.242 474 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.242 474 G C -0.178 174.785 174.900 0.104 0.000 1.277 474 G CA 0.055 45.199 45.100 0.074 0.000 0.910 474 G HN 0.792 nan 8.290 nan 0.000 0.576 475 N N 0.014 118.778 118.700 0.107 0.000 2.322 475 N HA 0.187 4.927 4.740 -0.000 0.000 0.216 475 N C 0.053 175.660 175.510 0.162 0.000 1.144 475 N CA -0.165 52.949 53.050 0.107 0.000 0.830 475 N CB 0.172 38.705 38.487 0.077 0.000 1.034 475 N HN 0.485 nan 8.380 nan 0.000 0.484 476 Y N 1.415 121.744 120.300 0.047 0.000 2.537 476 Y HA 0.301 4.851 4.550 -0.000 0.000 0.339 476 Y C 0.577 176.541 175.900 0.107 0.000 1.066 476 Y CA -0.219 57.922 58.100 0.068 0.000 1.357 476 Y CB 0.029 38.516 38.460 0.046 0.000 1.175 476 Y HN -0.027 nan 8.280 nan 0.000 0.525 477 G N 4.575 113.276 108.800 -0.166 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 -2.206 172.649 174.900 -0.075 0.000 1.220 477 G CA -0.863 44.150 45.100 -0.145 0.000 0.875 477 G HN 0.588 nan 8.290 nan 0.000 0.606 478 Y N 0.903 121.115 120.300 -0.148 0.000 2.373 478 Y HA 0.556 5.106 4.550 -0.000 0.000 0.336 478 Y C -0.599 175.172 175.900 -0.216 0.000 0.979 478 Y CA -1.189 56.734 58.100 -0.295 0.000 1.080 478 Y CB 1.788 40.029 38.460 -0.365 0.000 1.190 478 Y HN 0.442 nan 8.280 nan 0.000 0.446 479 N N 4.438 122.863 118.700 -0.457 0.000 2.430 479 N HA 0.213 4.953 4.740 -0.000 0.000 0.265 479 N C 0.532 175.851 175.510 -0.318 0.000 1.100 479 N CA 0.750 53.638 53.050 -0.271 0.000 0.961 479 N CB 1.805 40.142 38.487 -0.250 0.000 1.075 479 N HN 0.974 nan 8.380 nan 0.000 0.478 480 A N 4.549 127.384 122.820 0.026 0.000 1.858 480 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 480 A C 2.067 179.660 177.584 0.016 0.000 1.190 480 A CA 2.030 54.157 52.037 0.152 0.000 0.617 480 A CB -1.053 18.010 19.000 0.104 0.000 0.827 480 A HN 0.760 nan 8.150 nan 0.000 0.443 481 A N -0.438 122.361 122.820 -0.034 0.000 1.851 481 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 481 A C 2.488 180.022 177.584 -0.084 0.000 1.195 481 A CA 2.932 54.942 52.037 -0.045 0.000 0.622 481 A CB -1.529 17.448 19.000 -0.038 0.000 0.831 481 A HN 0.899 nan 8.150 nan 0.000 0.444 482 T N -3.366 111.106 114.554 -0.136 0.000 3.055 482 T HA 0.018 4.368 4.350 -0.000 0.000 0.265 482 T C 0.535 175.101 174.700 -0.223 0.000 1.111 482 T CA 1.126 63.133 62.100 -0.154 0.000 1.118 482 T CB -0.424 68.354 68.868 -0.150 0.000 0.909 482 T HN 0.600 nan 8.240 nan 0.000 0.501 483 E N 0.544 120.527 120.200 -0.362 0.000 2.791 483 E HA -0.131 4.219 4.350 -0.000 0.000 0.271 483 E C -0.763 175.489 176.600 -0.579 0.000 1.044 483 E CA 0.777 56.899 56.400 -0.464 0.000 0.814 483 E CB -1.139 28.473 29.700 -0.148 0.000 1.400 483 E HN 0.692 nan 8.360 nan 0.000 0.423 484 E N -0.514 119.299 120.200 -0.645 0.000 2.317 484 E HA 0.400 4.750 4.350 -0.000 0.000 0.270 484 E C -0.240 176.059 176.600 -0.503 0.000 0.885 484 E CA -0.635 55.504 56.400 -0.434 0.000 0.760 484 E CB 0.997 30.596 29.700 -0.168 0.000 1.227 484 E HN -0.019 nan 8.360 nan 0.000 0.434 485 Y N 0.432 120.617 120.300 -0.192 0.000 2.314 485 Y HA 0.589 5.139 4.550 0.000 0.000 0.359 485 Y C 1.494 177.383 175.900 -0.018 0.000 1.360 485 Y CA 0.744 58.758 58.100 -0.142 0.000 1.697 485 Y CB 0.529 38.939 38.460 -0.085 0.000 1.630 485 Y HN 0.723 nan 8.280 nan 0.000 0.583 486 G N -0.311 108.654 108.800 0.276 0.000 2.325 486 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.285 486 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.285 486 G C -1.622 173.425 174.900 0.246 0.000 1.303 486 G CA -1.030 44.241 45.100 0.286 0.000 0.970 486 G HN 0.641 nan 8.290 nan 0.000 0.490 487 N N 1.294 120.098 118.700 0.172 0.000 2.399 487 N HA 0.127 4.867 4.740 -0.000 0.000 0.259 487 N C 1.922 177.478 175.510 0.077 0.000 1.160 487 N CA -0.411 52.718 53.050 0.131 0.000 0.946 487 N CB 0.530 39.074 38.487 0.094 0.000 1.156 487 N HN 0.441 nan 8.380 nan 0.000 0.489 488 M N 3.332 122.973 119.600 0.068 0.000 2.260 488 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 488 M C 1.455 177.773 176.300 0.031 0.000 1.066 488 M CA 0.978 56.300 55.300 0.037 0.000 1.082 488 M CB -0.438 32.182 32.600 0.034 0.000 1.388 488 M HN 0.544 nan 8.290 nan 0.000 0.419 489 I N 0.082 120.675 120.570 0.038 0.000 2.333 489 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 489 I C 1.878 178.009 176.117 0.024 0.000 1.106 489 I CA 1.179 62.496 61.300 0.029 0.000 1.411 489 I CB -1.254 36.764 38.000 0.030 0.000 1.082 489 I HN 0.214 nan 8.210 nan 0.000 0.420 490 D N 0.860 121.277 120.400 0.028 0.000 2.117 490 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 490 D C 2.173 178.482 176.300 0.016 0.000 0.987 490 D CA 1.107 55.120 54.000 0.023 0.000 0.829 490 D CB -0.140 40.676 40.800 0.028 0.000 0.961 490 D HN 0.282 nan 8.370 nan 0.000 0.460 491 M N -0.297 119.312 119.600 0.016 0.000 2.700 491 M HA 0.044 4.524 4.480 -0.000 0.000 0.249 491 M C 1.065 177.365 176.300 0.000 0.000 1.082 491 M CA 0.747 56.049 55.300 0.004 0.000 1.077 491 M CB -0.043 32.555 32.600 -0.005 0.000 1.477 491 M HN 0.086 nan 8.290 nan 0.000 0.529 492 G N 1.907 110.711 108.800 0.006 0.000 2.160 492 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.251 492 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.251 492 G C 0.045 174.948 174.900 0.005 0.000 1.008 492 G CA -0.153 44.950 45.100 0.005 0.000 0.724 492 G HN 0.543 nan 8.290 nan 0.000 0.514 493 I N 0.892 121.465 120.570 0.007 0.000 2.347 493 I HA 0.558 4.728 4.170 -0.000 0.000 0.283 493 I C 0.172 176.297 176.117 0.013 0.000 1.058 493 I CA -0.793 60.512 61.300 0.008 0.000 1.202 493 I CB 0.502 38.504 38.000 0.004 0.000 1.386 493 I HN 0.258 nan 8.210 nan 0.000 0.475 494 L N 3.631 124.862 121.223 0.014 0.000 2.622 494 L HA 0.718 5.058 4.340 -0.000 0.000 0.258 494 L C -1.682 175.197 176.870 0.016 0.000 0.996 494 L CA -0.798 54.051 54.840 0.016 0.000 0.858 494 L CB 1.807 43.876 42.059 0.017 0.000 1.449 494 L HN 0.088 nan 8.230 nan 0.000 0.411 495 D N -0.240 120.170 120.400 0.017 0.000 2.619 495 D HA 0.515 5.155 4.640 -0.000 0.000 0.241 495 D C -2.816 173.494 176.300 0.018 0.000 1.087 495 D CA -1.259 52.752 54.000 0.017 0.000 0.851 495 D CB 2.213 43.023 40.800 0.016 0.000 1.474 495 D HN 0.349 nan 8.370 nan 0.000 0.478 496 P HA -0.002 nan 4.420 nan 0.000 0.267 496 P C 0.875 178.185 177.300 0.017 0.000 1.201 496 P CA 0.160 63.272 63.100 0.021 0.000 0.775 496 P CB 0.625 32.341 31.700 0.027 0.000 0.854 497 T N 1.008 115.570 114.554 0.014 0.000 2.812 497 T HA -0.140 4.210 4.350 -0.000 0.000 0.264 497 T C 1.641 176.345 174.700 0.007 0.000 1.042 497 T CA 1.065 63.171 62.100 0.010 0.000 1.140 497 T CB -0.382 68.490 68.868 0.007 0.000 0.870 497 T HN 0.478 nan 8.240 nan 0.000 0.445 498 K N 0.905 121.310 120.400 0.010 0.000 2.049 498 K HA -0.233 4.087 4.320 -0.000 0.000 0.219 498 K C 2.390 178.996 176.600 0.010 0.000 1.056 498 K CA 2.255 58.547 56.287 0.008 0.000 0.946 498 K CB -0.644 31.868 32.500 0.019 0.000 0.723 498 K HN 0.316 nan 8.250 nan 0.000 0.453 499 V N -0.316 119.611 119.914 0.021 0.000 2.261 499 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 499 V C 1.777 177.882 176.094 0.018 0.000 1.047 499 V CA 2.551 64.867 62.300 0.027 0.000 1.015 499 V CB -1.064 30.777 31.823 0.030 0.000 0.642 499 V HN 0.422 nan 8.190 nan 0.000 0.446 500 T N 0.117 114.679 114.554 0.013 0.000 2.946 500 T HA -0.149 4.201 4.350 -0.000 0.000 0.271 500 T C 1.781 176.482 174.700 0.000 0.000 1.104 500 T CA 1.973 64.079 62.100 0.010 0.000 1.114 500 T CB -0.379 68.495 68.868 0.009 0.000 0.867 500 T HN 0.698 nan 8.240 nan 0.000 0.513 501 R N 0.875 121.369 120.500 -0.010 0.000 2.046 501 R HA 0.006 4.346 4.340 -0.000 0.000 0.223 501 R C 2.625 178.890 176.300 -0.057 0.000 1.179 501 R CA 1.272 57.353 56.100 -0.032 0.000 0.952 501 R CB -0.522 29.754 30.300 -0.039 0.000 0.843 501 R HN 0.143 nan 8.270 nan 0.000 0.439 502 S N 0.957 116.616 115.700 -0.068 0.000 2.393 502 S HA -0.321 4.149 4.470 -0.000 0.000 0.235 502 S C 2.055 176.641 174.600 -0.024 0.000 1.061 502 S CA 1.854 59.985 58.200 -0.115 0.000 1.129 502 S CB -0.679 62.525 63.200 0.007 0.000 1.011 502 S HN 0.620 nan 8.310 nan 0.000 0.436 503 A N 0.740 123.590 122.820 0.050 0.000 1.948 503 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 503 A C 2.140 179.754 177.584 0.050 0.000 1.177 503 A CA 1.830 53.914 52.037 0.079 0.000 0.636 503 A CB -0.661 18.371 19.000 0.053 0.000 0.815 503 A HN 0.442 nan 8.150 nan 0.000 0.449 504 L N -0.509 120.719 121.223 0.009 0.000 2.156 504 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 504 L C 2.379 179.242 176.870 -0.011 0.000 1.095 504 L CA 1.981 56.822 54.840 0.001 0.000 0.770 504 L CB -0.531 41.523 42.059 -0.009 0.000 0.914 504 L HN 0.512 nan 8.230 nan 0.000 0.439 505 Q N -1.747 118.017 119.800 -0.060 0.000 1.984 505 Q HA -0.158 4.182 4.340 -0.000 0.000 0.196 505 Q C 2.187 178.172 176.000 -0.025 0.000 0.975 505 Q CA 1.602 57.346 55.803 -0.098 0.000 0.827 505 Q CB -0.476 28.122 28.738 -0.233 0.000 0.894 505 Q HN 0.407 nan 8.270 nan 0.000 0.438 506 Y N 1.078 121.380 120.300 0.002 0.000 2.151 506 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 506 Y C 2.465 178.366 175.900 0.001 0.000 1.166 506 Y CA 0.997 59.098 58.100 0.002 0.000 1.163 506 Y CB -0.974 37.486 38.460 0.001 0.000 0.974 506 Y HN 0.188 nan 8.280 nan 0.000 0.511 507 A N -0.087 122.829 122.820 0.160 0.000 1.908 507 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 507 A C 2.531 180.154 177.584 0.065 0.000 1.181 507 A CA 2.120 54.211 52.037 0.089 0.000 0.627 507 A CB -1.257 17.778 19.000 0.059 0.000 0.818 507 A HN 0.408 nan 8.150 nan 0.000 0.445 508 A N -0.716 122.136 122.820 0.053 0.000 1.877 508 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 508 A C 2.449 180.059 177.584 0.043 0.000 1.186 508 A CA 2.239 54.296 52.037 0.034 0.000 0.620 508 A CB -1.180 17.830 19.000 0.016 0.000 0.822 508 A HN 0.667 nan 8.150 nan 0.000 0.443 509 S N -0.500 115.240 115.700 0.066 0.000 2.427 509 S HA -0.218 4.252 4.470 -0.000 0.000 0.231 509 S C 1.906 176.540 174.600 0.056 0.000 1.045 509 S CA 2.332 60.576 58.200 0.073 0.000 1.154 509 S CB -0.920 62.361 63.200 0.136 0.000 1.093 509 S HN 0.385 nan 8.310 nan 0.000 0.422 510 V N 2.874 122.825 119.914 0.061 0.000 2.215 510 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 510 V C 2.935 179.044 176.094 0.025 0.000 1.054 510 V CA 2.442 64.764 62.300 0.036 0.000 1.012 510 V CB -1.714 30.127 31.823 0.030 0.000 0.639 510 V HN 0.751 nan 8.190 nan 0.000 0.448 511 A N 0.194 123.029 122.820 0.025 0.000 1.954 511 A HA -0.303 4.017 4.320 -0.000 0.000 0.222 511 A C 2.335 179.927 177.584 0.014 0.000 1.199 511 A CA 2.784 54.831 52.037 0.017 0.000 0.657 511 A CB -1.560 17.451 19.000 0.017 0.000 0.823 511 A HN 0.684 nan 8.150 nan 0.000 0.463 512 G N -0.249 108.561 108.800 0.017 0.000 2.604 512 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 512 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 512 G C 1.510 176.416 174.900 0.010 0.000 1.265 512 G CA 1.181 46.288 45.100 0.013 0.000 0.804 512 G HN 0.508 nan 8.290 nan 0.000 0.579 513 L N -0.198 121.033 121.223 0.013 0.000 2.054 513 L HA -0.283 4.057 4.340 -0.000 0.000 0.220 513 L C 3.147 180.019 176.870 0.004 0.000 1.081 513 L CA 1.963 56.809 54.840 0.009 0.000 0.780 513 L CB -0.601 41.466 42.059 0.012 0.000 0.893 513 L HN 0.276 nan 8.230 nan 0.000 0.438 514 M N -0.601 119.001 119.600 0.004 0.000 2.159 514 M HA -0.184 4.296 4.480 -0.000 0.000 0.263 514 M C 2.210 178.509 176.300 -0.003 0.000 1.063 514 M CA 1.734 57.033 55.300 -0.002 0.000 1.110 514 M CB -0.327 32.273 32.600 -0.001 0.000 1.374 514 M HN 0.230 nan 8.290 nan 0.000 0.411 515 I N -0.388 120.182 120.570 0.000 0.000 2.830 515 I HA -0.138 4.032 4.170 -0.000 0.000 0.263 515 I C 1.292 177.408 176.117 -0.002 0.000 1.230 515 I CA 0.953 62.252 61.300 -0.001 0.000 1.480 515 I CB -0.559 37.442 38.000 0.001 0.000 1.095 515 I HN 0.323 nan 8.210 nan 0.000 0.455 516 T N -2.518 112.035 114.554 -0.002 0.000 3.268 516 T HA 0.285 4.635 4.350 -0.000 0.000 0.258 516 T C 0.188 174.886 174.700 -0.004 0.000 0.966 516 T CA -0.412 61.686 62.100 -0.003 0.000 0.952 516 T CB -0.204 68.663 68.868 -0.002 0.000 1.132 516 T HN -0.105 nan 8.240 nan 0.000 0.536 517 T N 1.434 115.985 114.554 -0.005 0.000 2.841 517 T HA 0.461 4.811 4.350 -0.000 0.000 0.283 517 T C 0.259 174.959 174.700 -0.001 0.000 1.000 517 T CA -0.648 61.449 62.100 -0.005 0.000 0.977 517 T CB 2.143 71.004 68.868 -0.011 0.000 0.979 517 T HN 0.095 nan 8.240 nan 0.000 0.446 518 E N 0.338 120.544 120.200 0.010 0.000 2.541 518 E HA 0.191 4.541 4.350 -0.000 0.000 0.219 518 E C -0.067 176.605 176.600 0.121 0.000 0.922 518 E CA 0.096 56.514 56.400 0.030 0.000 1.095 518 E CB 0.930 30.620 29.700 -0.016 0.000 1.112 518 E HN 0.552 nan 8.360 nan 0.000 0.516 519 C N 0.981 120.350 119.300 0.114 0.000 2.686 519 C HA 0.681 5.141 4.460 -0.000 0.000 0.318 519 C C -1.270 173.743 174.990 0.038 0.000 1.160 519 C CA -0.575 58.575 59.018 0.220 0.000 1.396 519 C CB 0.358 28.303 27.740 0.342 0.000 1.924 519 C HN 0.106 nan 8.230 nan 0.000 0.471 520 M N 5.296 124.842 119.600 -0.090 0.000 2.395 520 M HA 0.564 5.044 4.480 -0.000 0.000 0.307 520 M C -1.167 175.071 176.300 -0.104 0.000 1.091 520 M CA -0.634 54.557 55.300 -0.182 0.000 0.919 520 M CB 2.137 34.445 32.600 -0.487 0.000 1.662 520 M HN 0.362 nan 8.290 nan 0.000 0.440 521 V N 1.725 121.655 119.914 0.027 0.000 2.398 521 V HA 0.497 4.617 4.120 -0.000 0.000 0.282 521 V C -0.362 175.818 176.094 0.143 0.000 1.014 521 V CA -0.314 62.041 62.300 0.092 0.000 0.838 521 V CB 1.734 33.596 31.823 0.065 0.000 1.018 521 V HN 0.973 nan 8.190 nan 0.000 0.432 522 T N 2.383 117.066 114.554 0.214 0.000 2.907 522 T HA 0.489 4.839 4.350 -0.000 0.000 0.290 522 T C -0.523 174.199 174.700 0.036 0.000 1.066 522 T CA -0.469 61.709 62.100 0.130 0.000 1.012 522 T CB 1.790 70.750 68.868 0.154 0.000 1.184 522 T HN 0.625 nan 8.240 nan 0.000 0.522 523 D N 0.943 121.341 120.400 -0.004 0.000 2.354 523 D HA 0.308 4.948 4.640 -0.000 0.000 0.238 523 D C -0.277 175.981 176.300 -0.070 0.000 1.250 523 D CA -0.065 53.918 54.000 -0.028 0.000 0.911 523 D CB 0.267 41.050 40.800 -0.027 0.000 1.163 523 D HN 0.182 nan 8.370 nan 0.000 0.456 524 L N 2.275 123.461 121.223 -0.062 0.000 2.350 524 L HA 0.281 4.621 4.340 -0.000 0.000 0.275 524 L C -1.772 175.045 176.870 -0.088 0.000 1.099 524 L CA -1.932 52.860 54.840 -0.081 0.000 0.808 524 L CB 0.804 42.831 42.059 -0.054 0.000 1.149 524 L HN 0.311 nan 8.230 nan 0.000 0.442 525 P HA -0.064 nan 4.420 nan 0.000 0.314 525 P C -0.835 176.425 177.300 -0.067 0.000 1.521 525 P CA 0.764 63.804 63.100 -0.100 0.000 0.754 525 P CB -0.228 31.404 31.700 -0.115 0.000 1.692 526 K N 0.000 120.367 120.400 -0.055 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.263 56.287 -0.041 0.000 0.838 526 K CB 0.000 32.479 32.500 -0.035 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543