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 3e76_1_I 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 KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP 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 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 2.974 125.791 122.820 -0.006 0.000 2.511 3 A HA 0.576 4.896 4.320 -0.000 0.000 0.242 3 A C 0.275 177.855 177.584 -0.008 0.000 1.069 3 A CA 0.319 52.355 52.037 -0.001 0.000 0.763 3 A CB 0.139 19.141 19.000 0.003 0.000 1.001 3 A HN 0.627 nan 8.150 nan 0.000 0.498 4 K N 1.362 121.761 120.400 -0.002 0.000 2.281 4 K HA 0.442 4.762 4.320 -0.000 0.000 0.242 4 K C -1.442 175.165 176.600 0.011 0.000 0.971 4 K CA -0.718 55.562 56.287 -0.011 0.000 0.834 4 K CB 2.082 34.574 32.500 -0.014 0.000 1.181 4 K HN 0.753 nan 8.250 nan 0.000 0.435 5 D N 0.985 121.393 120.400 0.012 0.000 2.278 5 D HA 0.395 5.035 4.640 -0.000 0.000 0.245 5 D C -1.350 175.042 176.300 0.154 0.000 1.052 5 D CA -0.605 53.452 54.000 0.096 0.000 0.834 5 D CB 1.484 42.372 40.800 0.147 0.000 1.194 5 D HN 0.073 nan 8.370 nan 0.000 0.481 6 V N 4.188 124.170 119.914 0.113 0.000 2.483 6 V HA 0.438 4.558 4.120 -0.000 0.000 0.297 6 V C -0.035 175.937 176.094 -0.203 0.000 1.027 6 V CA -0.813 61.462 62.300 -0.042 0.000 0.855 6 V CB 1.766 33.490 31.823 -0.166 0.000 0.995 6 V HN 0.407 nan 8.190 nan 0.000 0.424 7 K N 3.754 123.957 120.400 -0.328 0.000 2.259 7 K HA 0.742 5.062 4.320 -0.000 0.000 0.252 7 K C -1.570 174.709 176.600 -0.536 0.000 0.936 7 K CA -0.493 55.525 56.287 -0.448 0.000 0.810 7 K CB 2.296 34.382 32.500 -0.690 0.000 1.143 7 K HN 0.445 nan 8.250 nan 0.000 0.427 8 F N 0.385 120.293 119.950 -0.071 0.000 2.522 8 F HA 0.426 4.953 4.527 0.000 0.000 0.324 8 F C 1.196 176.969 175.800 -0.046 0.000 1.077 8 F CA 0.110 58.088 58.000 -0.037 0.000 0.944 8 F CB 1.783 40.771 39.000 -0.021 0.000 1.175 8 F HN 0.838 nan 8.300 nan 0.000 0.468 9 G N 2.495 111.402 108.800 0.178 0.000 2.611 9 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.301 9 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.301 9 G C 1.253 176.175 174.900 0.037 0.000 1.233 9 G CA 0.638 45.795 45.100 0.094 0.000 0.993 9 G HN 0.684 nan 8.290 nan 0.000 0.553 10 N N 0.755 119.470 118.700 0.024 0.000 2.104 10 N HA -0.142 4.598 4.740 -0.000 0.000 0.190 10 N C 1.867 177.365 175.510 -0.019 0.000 1.024 10 N CA 2.009 55.061 53.050 0.003 0.000 0.853 10 N CB -0.420 38.069 38.487 0.003 0.000 1.008 10 N HN 0.594 nan 8.380 nan 0.000 0.424 11 D N 0.359 120.742 120.400 -0.027 0.000 2.158 11 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 11 D C 1.533 177.751 176.300 -0.136 0.000 0.995 11 D CA 1.188 55.144 54.000 -0.073 0.000 0.846 11 D CB 0.083 40.840 40.800 -0.070 0.000 0.941 11 D HN 0.344 nan 8.370 nan 0.000 0.456 12 A N 0.470 123.216 122.820 -0.123 0.000 1.970 12 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 12 A C 2.318 179.857 177.584 -0.075 0.000 1.170 12 A CA 0.711 52.649 52.037 -0.165 0.000 0.645 12 A CB -0.239 18.691 19.000 -0.117 0.000 0.816 12 A HN 0.135 nan 8.150 nan 0.000 0.447 13 R N -0.247 120.232 120.500 -0.035 0.000 2.073 13 R HA -0.081 4.258 4.340 -0.000 0.000 0.229 13 R C 2.117 178.412 176.300 -0.009 0.000 1.120 13 R CA 1.474 57.569 56.100 -0.008 0.000 0.967 13 R CB -0.552 29.750 30.300 0.003 0.000 0.862 13 R HN 0.535 nan 8.270 nan 0.000 0.436 14 V N -0.260 119.641 119.914 -0.022 0.000 2.568 14 V HA -0.178 3.942 4.120 -0.000 0.000 0.253 14 V C 1.712 177.799 176.094 -0.011 0.000 1.072 14 V CA 1.512 63.802 62.300 -0.016 0.000 1.084 14 V CB -0.412 31.398 31.823 -0.022 0.000 0.676 14 V HN 0.121 nan 8.190 nan 0.000 0.469 15 K N -0.203 120.184 120.400 -0.022 0.000 2.167 15 K HA 0.133 4.453 4.320 -0.000 0.000 0.203 15 K C 2.104 178.733 176.600 0.049 0.000 1.052 15 K CA 1.503 57.796 56.287 0.011 0.000 0.956 15 K CB -0.275 32.221 32.500 -0.007 0.000 0.735 15 K HN 0.514 nan 8.250 nan 0.000 0.451 16 M N 0.311 119.936 119.600 0.042 0.000 2.123 16 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 16 M C 2.230 178.549 176.300 0.032 0.000 1.069 16 M CA 1.054 56.381 55.300 0.046 0.000 1.133 16 M CB -0.268 32.357 32.600 0.042 0.000 1.356 16 M HN 0.016 nan 8.290 nan 0.000 0.415 17 L N 0.523 121.759 121.223 0.022 0.000 2.012 17 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 17 L C 2.453 179.333 176.870 0.017 0.000 1.073 17 L CA 1.945 56.795 54.840 0.017 0.000 0.748 17 L CB -0.586 41.479 42.059 0.011 0.000 0.891 17 L HN 0.161 nan 8.230 nan 0.000 0.431 18 R N -0.395 120.115 120.500 0.017 0.000 2.105 18 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 18 R C 2.135 178.449 176.300 0.022 0.000 1.135 18 R CA 1.674 57.784 56.100 0.018 0.000 0.967 18 R CB -1.031 29.279 30.300 0.017 0.000 0.861 18 R HN 0.509 nan 8.270 nan 0.000 0.442 19 G N -0.306 108.512 108.800 0.030 0.000 2.394 19 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.214 19 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.214 19 G C 1.419 176.333 174.900 0.022 0.000 1.176 19 G CA 0.887 46.005 45.100 0.030 0.000 0.786 19 G HN 0.329 nan 8.290 nan 0.000 0.533 20 V N -0.384 119.543 119.914 0.022 0.000 2.427 20 V HA -0.108 4.011 4.120 -0.000 0.000 0.248 20 V C 2.274 178.377 176.094 0.014 0.000 1.051 20 V CA 2.032 64.343 62.300 0.018 0.000 1.048 20 V CB -0.727 31.107 31.823 0.019 0.000 0.666 20 V HN 0.150 nan 8.190 nan 0.000 0.456 21 N N 0.981 119.690 118.700 0.014 0.000 2.223 21 N HA -0.095 4.645 4.740 -0.000 0.000 0.185 21 N C 1.715 177.231 175.510 0.009 0.000 1.016 21 N CA 1.651 54.708 53.050 0.011 0.000 0.863 21 N CB -0.576 37.918 38.487 0.010 0.000 0.983 21 N HN 0.514 nan 8.380 nan 0.000 0.429 22 V N 1.042 120.962 119.914 0.011 0.000 2.270 22 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 22 V C 2.363 178.461 176.094 0.007 0.000 1.043 22 V CA 1.075 63.381 62.300 0.009 0.000 1.014 22 V CB -0.548 31.281 31.823 0.010 0.000 0.645 22 V HN 0.229 nan 8.190 nan 0.000 0.447 23 L N 0.001 121.228 121.223 0.007 0.000 2.046 23 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 23 L C 2.501 179.373 176.870 0.004 0.000 1.077 23 L CA 1.863 56.706 54.840 0.005 0.000 0.747 23 L CB -0.497 41.565 42.059 0.005 0.000 0.896 23 L HN 0.307 nan 8.230 nan 0.000 0.432 24 A N -0.392 122.431 122.820 0.006 0.000 1.858 24 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 24 A C 1.863 179.450 177.584 0.004 0.000 1.190 24 A CA 1.999 54.040 52.037 0.006 0.000 0.617 24 A CB -0.826 18.179 19.000 0.008 0.000 0.827 24 A HN 0.490 nan 8.150 nan 0.000 0.443 25 D N 0.004 120.407 120.400 0.005 0.000 2.263 25 D HA 0.019 4.659 4.640 -0.000 0.000 0.208 25 D C 1.926 178.227 176.300 0.002 0.000 0.971 25 D CA 1.267 55.269 54.000 0.003 0.000 0.867 25 D CB -0.245 40.557 40.800 0.004 0.000 0.929 25 D HN 0.451 nan 8.370 nan 0.000 0.492 26 A N -0.161 122.660 122.820 0.002 0.000 2.067 26 A HA 0.027 4.347 4.320 -0.000 0.000 0.217 26 A C 2.193 179.777 177.584 -0.001 0.000 1.156 26 A CA 0.577 52.615 52.037 0.001 0.000 0.683 26 A CB 0.108 19.108 19.000 0.001 0.000 0.808 26 A HN 0.157 nan 8.150 nan 0.000 0.455 27 V N 0.474 120.388 119.914 -0.001 0.000 2.788 27 V HA -0.107 4.013 4.120 -0.000 0.000 0.241 27 V C 2.282 178.375 176.094 -0.001 0.000 1.083 27 V CA 1.517 63.816 62.300 -0.002 0.000 1.103 27 V CB -0.276 31.544 31.823 -0.003 0.000 0.800 27 V HN 0.769 nan 8.190 nan 0.000 0.476 28 K N 1.903 122.303 120.400 0.001 0.000 2.360 28 K HA -0.116 4.204 4.320 -0.000 0.000 0.201 28 K C 1.669 178.270 176.600 0.001 0.000 1.046 28 K CA 1.827 58.114 56.287 0.001 0.000 0.945 28 K CB -0.613 31.889 32.500 0.003 0.000 0.750 28 K HN 0.497 nan 8.250 nan 0.000 0.464 29 V N -0.562 119.352 119.914 0.000 0.000 3.217 29 V HA -0.057 4.063 4.120 -0.000 0.000 0.264 29 V C 1.789 177.883 176.094 -0.001 0.000 1.135 29 V CA 1.306 63.606 62.300 -0.000 0.000 1.142 29 V CB -0.764 31.059 31.823 -0.000 0.000 0.754 29 V HN 0.512 nan 8.190 nan 0.000 0.484 30 T N -2.188 112.365 114.554 -0.002 0.000 3.186 30 T HA 0.414 4.763 4.350 -0.000 0.000 0.257 30 T C 0.118 174.817 174.700 -0.003 0.000 1.029 30 T CA -0.296 61.802 62.100 -0.003 0.000 0.916 30 T CB 0.000 68.865 68.868 -0.005 0.000 1.041 30 T HN 0.289 nan 8.240 nan 0.000 0.562 31 L N 2.295 123.518 121.223 -0.000 0.000 2.371 31 L HA 0.675 5.015 4.340 -0.000 0.000 0.272 31 L C 0.870 177.742 176.870 0.003 0.000 1.124 31 L CA 1.498 56.339 54.840 0.001 0.000 0.816 31 L CB 0.168 42.229 42.059 0.004 0.000 1.129 31 L HN 0.654 nan 8.230 nan 0.000 0.448 32 G N 4.409 113.210 108.800 0.002 0.000 2.741 32 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.222 32 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.222 32 G C -2.174 172.725 174.900 -0.003 0.000 1.364 32 G CA -0.147 44.955 45.100 0.003 0.000 0.866 32 G HN 0.643 nan 8.290 nan 0.000 0.555 33 P HA 0.230 nan 4.420 nan 0.000 0.245 33 P C 0.919 178.215 177.300 -0.008 0.000 1.199 33 P CA 0.584 63.677 63.100 -0.011 0.000 0.807 33 P CB 0.342 32.030 31.700 -0.021 0.000 1.002 34 K N 0.860 121.259 120.400 -0.001 0.000 2.520 34 K HA 0.249 4.569 4.320 -0.000 0.000 0.205 34 K C 1.084 177.686 176.600 0.004 0.000 1.035 34 K CA -0.072 56.217 56.287 0.004 0.000 1.188 34 K CB -0.224 32.285 32.500 0.015 0.000 0.894 34 K HN 0.104 nan 8.250 nan 0.000 0.497 35 G N 1.155 109.956 108.800 0.001 0.000 2.636 35 G HA2 0.130 4.090 3.960 -0.000 0.000 0.246 35 G HA3 0.130 4.090 3.960 -0.000 0.000 0.246 35 G C 0.052 174.952 174.900 -0.001 0.000 1.216 35 G CA -0.455 44.645 45.100 -0.000 0.000 0.854 35 G HN 0.086 nan 8.290 nan 0.000 0.572 36 R N 0.251 120.751 120.500 -0.001 0.000 2.643 36 R HA 0.308 4.648 4.340 -0.000 0.000 0.272 36 R C -0.577 175.722 176.300 -0.002 0.000 0.995 36 R CA -1.058 55.041 56.100 -0.001 0.000 1.032 36 R CB 0.749 31.049 30.300 -0.001 0.000 1.126 36 R HN 0.463 nan 8.270 nan 0.000 0.505 37 N N -0.216 118.482 118.700 -0.002 0.000 2.518 37 N HA 0.239 4.979 4.740 -0.000 0.000 0.283 37 N C -0.836 174.672 175.510 -0.002 0.000 1.119 37 N CA -0.252 52.796 53.050 -0.002 0.000 0.983 37 N CB 1.194 39.679 38.487 -0.002 0.000 1.139 37 N HN 0.150 nan 8.380 nan 0.000 0.465 38 V N 2.290 122.203 119.914 -0.002 0.000 2.448 38 V HA 0.351 4.471 4.120 -0.000 0.000 0.295 38 V C -0.280 175.813 176.094 -0.001 0.000 1.025 38 V CA -0.822 61.477 62.300 -0.002 0.000 0.859 38 V CB 1.752 33.574 31.823 -0.002 0.000 0.988 38 V HN 0.318 nan 8.190 nan 0.000 0.431 39 V N 6.800 126.714 119.914 -0.000 0.000 2.407 39 V HA 0.464 4.584 4.120 -0.000 0.000 0.278 39 V C -0.145 175.950 176.094 0.002 0.000 1.037 39 V CA -0.423 61.877 62.300 0.001 0.000 0.900 39 V CB 1.335 33.159 31.823 0.001 0.000 0.983 39 V HN 0.614 nan 8.190 nan 0.000 0.459 40 L N 3.774 124.999 121.223 0.003 0.000 2.313 40 L HA 0.541 4.881 4.340 -0.000 0.000 0.283 40 L C -0.301 176.574 176.870 0.008 0.000 1.013 40 L CA -0.561 54.282 54.840 0.005 0.000 0.816 40 L CB 1.758 43.819 42.059 0.004 0.000 1.236 40 L HN 0.531 nan 8.230 nan 0.000 0.419 41 D N 2.939 123.344 120.400 0.008 0.000 2.302 41 D HA 0.310 4.949 4.640 -0.000 0.000 0.248 41 D C -0.677 175.634 176.300 0.019 0.000 1.094 41 D CA 0.107 54.113 54.000 0.010 0.000 0.897 41 D CB 0.993 41.796 40.800 0.004 0.000 1.200 41 D HN 0.339 nan 8.370 nan 0.000 0.429 42 K N 0.779 121.196 120.400 0.027 0.000 2.375 42 K HA 0.249 4.569 4.320 -0.000 0.000 0.249 42 K C 0.954 177.578 176.600 0.040 0.000 0.942 42 K CA -0.625 55.692 56.287 0.050 0.000 0.806 42 K CB 1.811 34.355 32.500 0.074 0.000 1.227 42 K HN 0.434 nan 8.250 nan 0.000 0.430 43 S N 1.314 117.040 115.700 0.044 0.000 2.368 43 S HA -0.060 4.410 4.470 -0.000 0.000 0.225 43 S C 0.591 175.117 174.600 -0.123 0.000 1.030 43 S CA 0.772 58.941 58.200 -0.052 0.000 0.999 43 S CB -0.276 62.875 63.200 -0.082 0.000 0.844 43 S HN 0.415 nan 8.310 nan 0.000 0.459 44 F N 3.350 123.298 119.950 -0.003 0.000 2.404 44 F HA 0.564 5.089 4.527 -0.003 0.000 0.359 44 F C 1.609 177.407 175.800 -0.003 0.000 1.134 44 F CA 0.453 58.451 58.000 -0.003 0.000 1.160 44 F CB 0.470 39.469 39.000 -0.002 0.000 1.186 44 F HN 0.532 nan 8.300 nan 0.000 0.526 45 G N 2.332 111.199 108.800 0.111 0.000 2.574 45 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.286 45 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.286 45 G C 0.020 174.950 174.900 0.049 0.000 1.212 45 G CA -0.438 44.708 45.100 0.077 0.000 0.979 45 G HN 1.037 nan 8.290 nan 0.000 0.557 46 A N 1.687 124.534 122.820 0.045 0.000 2.407 46 A HA 0.653 4.973 4.320 -0.000 0.000 0.248 46 A C -1.322 176.280 177.584 0.029 0.000 1.082 46 A CA 0.224 52.278 52.037 0.029 0.000 0.785 46 A CB -0.154 18.860 19.000 0.024 0.000 1.020 46 A HN 0.706 nan 8.150 nan 0.000 0.489 47 P HA 0.336 nan 4.420 nan 0.000 0.274 47 P C -0.469 176.839 177.300 0.014 0.000 1.237 47 P CA -0.144 62.966 63.100 0.016 0.000 0.793 47 P CB 0.570 32.276 31.700 0.010 0.000 0.977 48 T N 2.054 116.616 114.554 0.013 0.000 2.744 48 T HA 0.469 4.819 4.350 -0.000 0.000 0.291 48 T C 0.324 175.027 174.700 0.005 0.000 0.957 48 T CA -0.236 61.869 62.100 0.009 0.000 1.002 48 T CB -0.167 68.706 68.868 0.008 0.000 0.919 48 T HN 0.172 nan 8.240 nan 0.000 0.468 49 I N 3.001 123.572 120.570 0.003 0.000 2.312 49 I HA 0.499 4.668 4.170 -0.000 0.000 0.290 49 I C 0.572 176.688 176.117 -0.002 0.000 1.008 49 I CA -0.353 60.947 61.300 0.001 0.000 1.226 49 I CB 1.385 39.386 38.000 0.001 0.000 1.371 49 I HN 0.508 nan 8.210 nan 0.000 0.468 50 T N 4.100 118.652 114.554 -0.003 0.000 2.843 50 T HA 0.400 4.750 4.350 -0.000 0.000 0.302 50 T C 0.237 174.933 174.700 -0.006 0.000 1.232 50 T CA -0.577 61.519 62.100 -0.006 0.000 1.009 50 T CB 1.819 70.683 68.868 -0.007 0.000 1.254 50 T HN 0.650 nan 8.240 nan 0.000 0.504 51 K N 0.630 121.025 120.400 -0.008 0.000 2.373 51 K HA 0.171 4.491 4.320 -0.000 0.000 0.200 51 K C -0.299 176.294 176.600 -0.011 0.000 1.054 51 K CA -0.185 56.096 56.287 -0.009 0.000 1.065 51 K CB 0.371 32.866 32.500 -0.008 0.000 0.886 51 K HN 0.493 nan 8.250 nan 0.000 0.546 52 D N 0.808 121.200 120.400 -0.014 0.000 2.368 52 D HA -0.004 4.636 4.640 -0.000 0.000 0.268 52 D C 1.221 177.510 176.300 -0.018 0.000 1.298 52 D CA 0.149 54.138 54.000 -0.018 0.000 0.938 52 D CB 0.974 41.761 40.800 -0.022 0.000 1.101 52 D HN 0.235 nan 8.370 nan 0.000 0.509 53 G N 2.568 111.357 108.800 -0.019 0.000 2.479 53 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 53 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 53 G C 1.431 176.318 174.900 -0.021 0.000 1.115 53 G CA 0.808 45.898 45.100 -0.017 0.000 0.757 53 G HN 0.487 nan 8.290 nan 0.000 0.560 54 V N 0.770 120.667 119.914 -0.027 0.000 2.323 54 V HA -0.127 3.993 4.120 -0.000 0.000 0.244 54 V C 2.964 179.043 176.094 -0.026 0.000 1.041 54 V CA 2.024 64.305 62.300 -0.031 0.000 1.025 54 V CB -0.735 31.064 31.823 -0.040 0.000 0.656 54 V HN 0.320 nan 8.190 nan 0.000 0.451 55 S N 0.293 115.980 115.700 -0.023 0.000 2.382 55 S HA -0.147 4.323 4.470 -0.000 0.000 0.228 55 S C 2.009 176.600 174.600 -0.013 0.000 1.027 55 S CA 1.492 59.681 58.200 -0.018 0.000 0.991 55 S CB -0.211 62.980 63.200 -0.016 0.000 0.823 55 S HN 0.392 nan 8.310 nan 0.000 0.469 56 V N 1.775 121.681 119.914 -0.013 0.000 2.323 56 V HA -0.119 4.001 4.120 -0.000 0.000 0.244 56 V C 2.639 178.728 176.094 -0.009 0.000 1.041 56 V CA 1.539 63.833 62.300 -0.009 0.000 1.025 56 V CB -1.212 30.606 31.823 -0.008 0.000 0.656 56 V HN 0.522 nan 8.190 nan 0.000 0.451 57 A N 0.049 122.861 122.820 -0.012 0.000 1.883 57 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 57 A C 2.374 179.950 177.584 -0.013 0.000 1.186 57 A CA 1.815 53.845 52.037 -0.012 0.000 0.624 57 A CB -0.573 18.417 19.000 -0.017 0.000 0.822 57 A HN 0.452 nan 8.150 nan 0.000 0.444 58 R N -0.562 119.929 120.500 -0.016 0.000 2.117 58 R HA -0.144 4.195 4.340 -0.000 0.000 0.243 58 R C 1.766 178.060 176.300 -0.011 0.000 1.143 58 R CA 1.454 57.545 56.100 -0.016 0.000 0.968 58 R CB -0.252 30.036 30.300 -0.020 0.000 0.863 58 R HN 0.522 nan 8.270 nan 0.000 0.444 59 E N 0.231 120.426 120.200 -0.008 0.000 2.285 59 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 59 E C 0.631 177.230 176.600 -0.002 0.000 0.997 59 E CA 0.293 56.691 56.400 -0.004 0.000 0.845 59 E CB 0.121 29.820 29.700 -0.002 0.000 0.782 59 E HN 0.173 nan 8.360 nan 0.000 0.491 60 I N 1.934 122.503 120.570 -0.003 0.000 2.533 60 I HA 0.078 4.248 4.170 -0.000 0.000 0.284 60 I C 0.423 176.539 176.117 -0.002 0.000 1.109 60 I CA 0.449 61.748 61.300 -0.002 0.000 1.412 60 I CB 0.092 38.091 38.000 -0.001 0.000 1.396 60 I HN -0.008 nan 8.210 nan 0.000 0.543 61 E N 6.948 127.147 120.200 -0.001 0.000 2.428 61 E HA 0.351 4.701 4.350 -0.000 0.000 0.307 61 E C -1.694 174.905 176.600 -0.001 0.000 0.902 61 E CA -0.488 55.910 56.400 -0.003 0.000 0.799 61 E CB 1.325 31.023 29.700 -0.004 0.000 1.351 61 E HN 0.464 nan 8.360 nan 0.000 0.392 62 L N 3.111 124.334 121.223 0.000 0.000 2.439 62 L HA 0.323 4.663 4.340 -0.000 0.000 0.259 62 L C 1.718 178.589 176.870 0.001 0.000 1.129 62 L CA -0.098 54.744 54.840 0.004 0.000 0.803 62 L CB 0.898 42.964 42.059 0.012 0.000 1.161 62 L HN 0.720 nan 8.230 nan 0.000 0.462 63 E N 0.480 120.683 120.200 0.006 0.000 2.033 63 E HA -0.156 4.194 4.350 -0.000 0.000 0.189 63 E C 0.128 176.732 176.600 0.007 0.000 0.979 63 E CA 0.433 56.835 56.400 0.004 0.000 0.802 63 E CB 0.199 29.904 29.700 0.007 0.000 0.763 63 E HN 0.707 nan 8.360 nan 0.000 0.449 64 D N 0.726 121.141 120.400 0.026 0.000 2.412 64 D HA -0.064 4.576 4.640 -0.000 0.000 0.257 64 D C 0.960 177.280 176.300 0.033 0.000 1.217 64 D CA 0.075 54.106 54.000 0.052 0.000 0.897 64 D CB 0.708 41.558 40.800 0.085 0.000 1.132 64 D HN -0.056 nan 8.370 nan 0.000 0.493 65 K N 3.278 123.662 120.400 -0.025 0.000 2.074 65 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 65 K C 1.644 178.135 176.600 -0.182 0.000 1.048 65 K CA 1.263 57.459 56.287 -0.152 0.000 0.926 65 K CB -0.309 32.021 32.500 -0.284 0.000 0.713 65 K HN 0.553 nan 8.250 nan 0.000 0.444 66 F N 1.528 121.466 119.950 -0.019 0.000 2.113 66 F HA -0.109 4.418 4.527 0.000 0.000 0.297 66 F C 2.418 178.208 175.800 -0.015 0.000 1.103 66 F CA 1.175 59.162 58.000 -0.022 0.000 1.248 66 F CB -0.417 38.567 39.000 -0.027 0.000 0.999 66 F HN 0.131 nan 8.300 nan 0.000 0.475 67 E N 0.009 120.315 120.200 0.177 0.000 2.058 67 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 67 E C 1.912 178.543 176.600 0.052 0.000 0.997 67 E CA 1.420 57.876 56.400 0.093 0.000 0.801 67 E CB -0.411 29.331 29.700 0.069 0.000 0.746 67 E HN 0.308 nan 8.360 nan 0.000 0.450 68 N N 0.784 119.501 118.700 0.028 0.000 2.061 68 N HA -0.202 4.538 4.740 -0.000 0.000 0.193 68 N C 1.753 177.263 175.510 -0.000 0.000 1.030 68 N CA 1.589 54.640 53.050 0.002 0.000 0.856 68 N CB -0.073 38.401 38.487 -0.022 0.000 1.023 68 N HN 0.085 nan 8.380 nan 0.000 0.424 69 M N -0.521 119.077 119.600 -0.005 0.000 2.065 69 M HA -0.075 4.405 4.480 -0.000 0.000 0.259 69 M C 2.243 178.556 176.300 0.021 0.000 1.069 69 M CA 1.897 57.196 55.300 -0.002 0.000 1.110 69 M CB -0.860 31.736 32.600 -0.006 0.000 1.328 69 M HN 0.352 nan 8.290 nan 0.000 0.405 70 G N 0.017 108.842 108.800 0.041 0.000 2.514 70 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 70 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 70 G C 1.610 176.525 174.900 0.026 0.000 1.198 70 G CA 1.384 46.507 45.100 0.038 0.000 0.780 70 G HN 0.569 nan 8.290 nan 0.000 0.565 71 A N -0.370 122.464 122.820 0.022 0.000 1.892 71 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 71 A C 2.367 179.957 177.584 0.009 0.000 1.188 71 A CA 2.160 54.206 52.037 0.014 0.000 0.631 71 A CB -0.436 18.571 19.000 0.012 0.000 0.822 71 A HN 0.361 nan 8.150 nan 0.000 0.447 72 Q N -1.138 118.665 119.800 0.006 0.000 2.297 72 Q HA -0.009 4.331 4.340 -0.000 0.000 0.204 72 Q C 2.046 178.050 176.000 0.006 0.000 0.962 72 Q CA 0.985 56.789 55.803 0.002 0.000 0.879 72 Q CB -0.273 28.463 28.738 -0.004 0.000 0.947 72 Q HN 0.792 nan 8.270 nan 0.000 0.462 73 M N -0.227 119.380 119.600 0.012 0.000 2.123 73 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 73 M C 2.170 178.483 176.300 0.021 0.000 1.069 73 M CA 1.325 56.636 55.300 0.018 0.000 1.133 73 M CB -0.128 32.486 32.600 0.024 0.000 1.356 73 M HN 0.119 nan 8.290 nan 0.000 0.415 74 V N -2.285 117.640 119.914 0.019 0.000 2.809 74 V HA -0.131 3.989 4.120 -0.000 0.000 0.256 74 V C 1.954 178.054 176.094 0.009 0.000 1.080 74 V CA 1.431 63.743 62.300 0.020 0.000 1.102 74 V CB -0.966 30.868 31.823 0.020 0.000 0.705 74 V HN 0.415 nan 8.190 nan 0.000 0.475 75 K N 0.110 120.512 120.400 0.004 0.000 2.097 75 K HA -0.162 4.157 4.320 -0.000 0.000 0.206 75 K C 2.267 178.859 176.600 -0.014 0.000 1.049 75 K CA 1.485 57.768 56.287 -0.007 0.000 0.933 75 K CB -0.133 32.363 32.500 -0.006 0.000 0.717 75 K HN 0.469 nan 8.250 nan 0.000 0.442 76 E N 0.427 120.624 120.200 -0.005 0.000 2.333 76 E HA -0.133 4.217 4.350 -0.000 0.000 0.198 76 E C 1.739 178.326 176.600 -0.021 0.000 1.007 76 E CA 0.851 57.247 56.400 -0.007 0.000 0.845 76 E CB 0.241 29.949 29.700 0.012 0.000 0.766 76 E HN 0.170 nan 8.360 nan 0.000 0.507 77 V N 0.299 120.205 119.914 -0.014 0.000 2.374 77 V HA -0.047 4.073 4.120 -0.000 0.000 0.241 77 V C 2.481 178.512 176.094 -0.105 0.000 1.034 77 V CA 1.211 63.496 62.300 -0.026 0.000 1.037 77 V CB -1.025 30.825 31.823 0.045 0.000 0.682 77 V HN 0.170 nan 8.190 nan 0.000 0.463 78 A N 1.784 124.568 122.820 -0.060 0.000 1.896 78 A HA -0.308 4.012 4.320 -0.000 0.000 0.220 78 A C 2.554 180.075 177.584 -0.105 0.000 1.206 78 A CA 3.168 55.164 52.037 -0.068 0.000 0.647 78 A CB -1.103 17.873 19.000 -0.039 0.000 0.828 78 A HN 0.736 nan 8.150 nan 0.000 0.455 79 S N -0.691 114.951 115.700 -0.096 0.000 2.402 79 S HA -0.120 4.349 4.470 -0.000 0.000 0.229 79 S C 1.815 176.322 174.600 -0.155 0.000 1.021 79 S CA 1.467 59.608 58.200 -0.099 0.000 0.974 79 S CB -0.271 62.891 63.200 -0.063 0.000 0.800 79 S HN 0.619 nan 8.310 nan 0.000 0.484 80 K N 1.105 121.359 120.400 -0.242 0.000 2.167 80 K HA 0.264 4.583 4.320 -0.000 0.000 0.203 80 K C 2.481 178.696 176.600 -0.642 0.000 1.052 80 K CA 0.759 56.798 56.287 -0.413 0.000 0.956 80 K CB -0.367 31.850 32.500 -0.471 0.000 0.735 80 K HN 0.469 nan 8.250 nan 0.000 0.451 81 A N 1.742 124.219 122.820 -0.571 0.000 1.902 81 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 81 A C 1.865 179.336 177.584 -0.189 0.000 1.181 81 A CA 1.885 53.698 52.037 -0.373 0.000 0.623 81 A CB -0.638 18.252 19.000 -0.183 0.000 0.818 81 A HN 0.294 nan 8.150 nan 0.000 0.443 82 N N 0.174 118.778 118.700 -0.160 0.000 2.223 82 N HA -0.143 4.597 4.740 -0.000 0.000 0.185 82 N C 1.022 176.476 175.510 -0.094 0.000 1.016 82 N CA 1.707 54.691 53.050 -0.109 0.000 0.863 82 N CB -0.200 38.230 38.487 -0.097 0.000 0.983 82 N HN 0.416 nan 8.380 nan 0.000 0.429 83 D N -0.642 119.688 120.400 -0.116 0.000 2.234 83 D HA 0.019 4.659 4.640 -0.000 0.000 0.205 83 D C 1.624 177.903 176.300 -0.033 0.000 0.962 83 D CA 0.916 54.872 54.000 -0.074 0.000 0.855 83 D CB -0.218 40.530 40.800 -0.086 0.000 0.951 83 D HN 0.410 nan 8.370 nan 0.000 0.500 84 A N 0.435 123.227 122.820 -0.046 0.000 1.903 84 A HA 0.285 4.605 4.320 -0.000 0.000 0.213 84 A C 2.034 179.651 177.584 0.054 0.000 1.185 84 A CA 1.781 53.838 52.037 0.034 0.000 0.628 84 A CB 0.012 19.075 19.000 0.105 0.000 0.830 84 A HN 0.234 nan 8.150 nan 0.000 0.446 85 A N -3.599 119.245 122.820 0.039 0.000 1.975 85 A HA 0.478 4.798 4.320 -0.000 0.000 0.197 85 A C 1.810 179.442 177.584 0.081 0.000 1.537 85 A CA 1.118 53.198 52.037 0.071 0.000 0.972 85 A CB -0.175 18.858 19.000 0.054 0.000 1.019 85 A HN 1.843 nan 8.150 nan 0.000 0.488 86 G N -0.524 108.268 108.800 -0.013 0.000 2.213 86 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.226 86 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.226 86 G C -0.080 174.769 174.900 -0.085 0.000 0.992 86 G CA 0.630 45.664 45.100 -0.110 0.000 0.632 86 G HN 0.908 nan 8.290 nan 0.000 0.511 87 D N -1.083 119.298 120.400 -0.033 0.000 2.423 87 D HA 0.591 5.231 4.640 -0.000 0.000 0.235 87 D C 1.076 177.367 176.300 -0.014 0.000 1.011 87 D CA 0.732 54.719 54.000 -0.022 0.000 0.963 87 D CB 0.994 41.794 40.800 0.001 0.000 1.349 87 D HN 1.397 nan 8.370 nan 0.000 0.508 88 G N 0.580 109.373 108.800 -0.011 0.000 2.160 88 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.244 88 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.244 88 G C 0.913 175.808 174.900 -0.009 0.000 1.022 88 G CA 1.146 46.245 45.100 -0.001 0.000 0.741 88 G HN 0.814 nan 8.290 nan 0.000 0.508 89 T N -3.453 111.088 114.554 -0.023 0.000 2.896 89 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 89 T C 2.263 176.953 174.700 -0.017 0.000 1.050 89 T CA 2.320 64.401 62.100 -0.031 0.000 1.140 89 T CB -0.393 68.449 68.868 -0.043 0.000 0.877 89 T HN 0.304 nan 8.240 nan 0.000 0.457 90 T N 2.317 116.864 114.554 -0.012 0.000 2.857 90 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 90 T C 2.233 176.935 174.700 0.002 0.000 1.048 90 T CA 1.715 63.812 62.100 -0.006 0.000 1.139 90 T CB -0.835 68.030 68.868 -0.006 0.000 0.874 90 T HN 0.563 nan 8.240 nan 0.000 0.455 91 T N 2.078 116.635 114.554 0.005 0.000 2.867 91 T HA 0.054 4.404 4.350 -0.000 0.000 0.268 91 T C 2.434 177.146 174.700 0.019 0.000 1.057 91 T CA 0.932 63.040 62.100 0.013 0.000 1.136 91 T CB -0.486 68.391 68.868 0.015 0.000 0.874 91 T HN 0.422 nan 8.240 nan 0.000 0.466 92 A N 1.845 124.677 122.820 0.020 0.000 1.877 92 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 92 A C 2.586 180.186 177.584 0.027 0.000 1.186 92 A CA 1.957 54.013 52.037 0.032 0.000 0.620 92 A CB -1.306 17.711 19.000 0.027 0.000 0.822 92 A HN 0.462 nan 8.150 nan 0.000 0.443 93 T N 0.063 114.625 114.554 0.014 0.000 2.867 93 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 93 T C 1.945 176.654 174.700 0.014 0.000 1.057 93 T CA 1.703 63.810 62.100 0.013 0.000 1.136 93 T CB -0.612 68.258 68.868 0.004 0.000 0.874 93 T HN 0.599 nan 8.240 nan 0.000 0.466 94 V N -0.130 119.792 119.914 0.013 0.000 2.515 94 V HA 0.017 4.136 4.120 -0.000 0.000 0.250 94 V C 2.194 178.298 176.094 0.016 0.000 1.058 94 V CA 1.216 63.523 62.300 0.012 0.000 1.064 94 V CB -1.057 30.772 31.823 0.010 0.000 0.675 94 V HN 0.382 nan 8.190 nan 0.000 0.461 95 L N 0.672 121.907 121.223 0.021 0.000 2.023 95 L HA 0.049 4.389 4.340 -0.000 0.000 0.205 95 L C 3.086 179.971 176.870 0.025 0.000 1.073 95 L CA 1.638 56.492 54.840 0.024 0.000 0.745 95 L CB -0.936 41.141 42.059 0.030 0.000 0.900 95 L HN 0.375 nan 8.230 nan 0.000 0.435 96 A N -0.523 122.315 122.820 0.029 0.000 1.903 96 A HA -0.347 3.973 4.320 -0.000 0.000 0.219 96 A C 2.251 179.849 177.584 0.023 0.000 1.191 96 A CA 2.290 54.346 52.037 0.030 0.000 0.638 96 A CB -0.795 18.226 19.000 0.034 0.000 0.823 96 A HN 0.536 nan 8.150 nan 0.000 0.451 97 Q N -0.798 119.014 119.800 0.020 0.000 2.061 97 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 97 Q C 2.243 178.252 176.000 0.015 0.000 0.984 97 Q CA 1.793 57.605 55.803 0.016 0.000 0.846 97 Q CB -0.344 28.402 28.738 0.013 0.000 0.902 97 Q HN 0.631 nan 8.270 nan 0.000 0.421 98 A N 0.391 123.219 122.820 0.015 0.000 2.015 98 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 98 A C 1.899 179.491 177.584 0.013 0.000 1.163 98 A CA 1.156 53.200 52.037 0.013 0.000 0.646 98 A CB -0.482 18.526 19.000 0.013 0.000 0.806 98 A HN 0.469 nan 8.150 nan 0.000 0.448 99 I N -0.796 119.783 120.570 0.016 0.000 2.333 99 I HA -0.153 4.017 4.170 -0.000 0.000 0.246 99 I C 2.215 178.341 176.117 0.015 0.000 1.106 99 I CA 0.929 62.239 61.300 0.016 0.000 1.411 99 I CB -0.303 37.708 38.000 0.018 0.000 1.082 99 I HN 0.235 nan 8.210 nan 0.000 0.420 100 I N 0.646 121.226 120.570 0.017 0.000 2.202 100 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 100 I C 2.585 178.710 176.117 0.014 0.000 1.091 100 I CA 1.606 62.916 61.300 0.016 0.000 1.368 100 I CB -0.584 37.427 38.000 0.019 0.000 1.058 100 I HN 0.231 nan 8.210 nan 0.000 0.410 101 T N 0.077 114.639 114.554 0.012 0.000 2.684 101 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 101 T C 1.779 176.485 174.700 0.009 0.000 1.036 101 T CA 1.235 63.341 62.100 0.010 0.000 1.148 101 T CB -0.211 68.662 68.868 0.009 0.000 0.863 101 T HN 0.270 nan 8.240 nan 0.000 0.436 102 E N 0.726 120.931 120.200 0.009 0.000 2.158 102 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 102 E C 2.534 179.140 176.600 0.009 0.000 0.982 102 E CA 0.809 57.214 56.400 0.008 0.000 0.823 102 E CB -0.737 28.968 29.700 0.008 0.000 0.766 102 E HN 0.573 nan 8.360 nan 0.000 0.468 103 G N 1.546 110.352 108.800 0.010 0.000 2.453 103 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 103 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 103 G C 1.714 176.620 174.900 0.010 0.000 1.201 103 G CA 0.480 45.586 45.100 0.010 0.000 0.784 103 G HN 0.180 nan 8.290 nan 0.000 0.545 104 L N 0.041 121.270 121.223 0.011 0.000 2.127 104 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 104 L C 2.916 179.791 176.870 0.008 0.000 1.089 104 L CA 1.114 55.960 54.840 0.010 0.000 0.757 104 L CB -0.334 41.731 42.059 0.010 0.000 0.899 104 L HN 0.205 nan 8.230 nan 0.000 0.434 105 K N 0.073 120.477 120.400 0.007 0.000 2.063 105 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 105 K C 2.206 178.809 176.600 0.005 0.000 1.048 105 K CA 1.513 57.803 56.287 0.006 0.000 0.928 105 K CB -0.170 32.334 32.500 0.005 0.000 0.713 105 K HN 0.326 nan 8.250 nan 0.000 0.442 106 A N 0.575 123.398 122.820 0.006 0.000 1.929 106 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 106 A C 2.248 179.836 177.584 0.006 0.000 1.176 106 A CA 1.146 53.187 52.037 0.006 0.000 0.628 106 A CB -0.380 18.624 19.000 0.006 0.000 0.816 106 A HN 0.082 nan 8.150 nan 0.000 0.444 107 V N -0.051 119.867 119.914 0.008 0.000 2.343 107 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 107 V C 2.965 179.064 176.094 0.007 0.000 1.051 107 V CA 1.848 64.153 62.300 0.009 0.000 1.036 107 V CB -1.345 30.484 31.823 0.011 0.000 0.654 107 V HN 0.563 nan 8.190 nan 0.000 0.451 108 A N 0.072 122.896 122.820 0.006 0.000 2.015 108 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 108 A C 2.346 179.932 177.584 0.004 0.000 1.163 108 A CA 1.651 53.691 52.037 0.005 0.000 0.646 108 A CB -0.587 18.415 19.000 0.004 0.000 0.806 108 A HN 0.570 nan 8.150 nan 0.000 0.448 109 A N -1.438 121.384 122.820 0.004 0.000 2.066 109 A HA 0.370 4.690 4.320 -0.000 0.000 0.218 109 A C 1.635 179.221 177.584 0.003 0.000 1.157 109 A CA 1.446 53.485 52.037 0.003 0.000 0.670 109 A CB -0.705 18.297 19.000 0.003 0.000 0.804 109 A HN 1.904 nan 8.150 nan 0.000 0.453 110 G N -1.593 107.209 108.800 0.004 0.000 2.468 110 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.143 110 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.143 110 G C -0.269 174.633 174.900 0.004 0.000 1.065 110 G CA -0.010 45.092 45.100 0.003 0.000 0.776 110 G HN 0.293 nan 8.290 nan 0.000 0.486 111 M N -0.072 119.532 119.600 0.005 0.000 2.598 111 M HA 0.348 4.828 4.480 -0.000 0.000 0.317 111 M C 0.427 176.731 176.300 0.007 0.000 1.179 111 M CA -0.759 54.544 55.300 0.005 0.000 0.936 111 M CB 1.783 34.386 32.600 0.005 0.000 1.713 111 M HN 0.224 nan 8.290 nan 0.000 0.460 112 N N 2.047 120.751 118.700 0.006 0.000 2.438 112 N HA 0.094 4.833 4.740 -0.000 0.000 0.267 112 N C -1.983 173.532 175.510 0.009 0.000 1.222 112 N CA -1.306 51.748 53.050 0.007 0.000 0.930 112 N CB 0.949 39.439 38.487 0.006 0.000 1.083 112 N HN 0.277 nan 8.380 nan 0.000 0.476 113 P HA -0.184 nan 4.420 nan 0.000 0.215 113 P C 1.385 178.691 177.300 0.011 0.000 1.153 113 P CA 1.072 64.180 63.100 0.012 0.000 0.853 113 P CB 0.199 31.908 31.700 0.016 0.000 0.788 114 M N -0.692 118.914 119.600 0.011 0.000 2.213 114 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 114 M C 1.130 177.434 176.300 0.007 0.000 1.062 114 M CA 1.665 56.970 55.300 0.009 0.000 1.105 114 M CB -1.359 31.246 32.600 0.009 0.000 1.385 114 M HN -0.052 nan 8.290 nan 0.000 0.417 115 D N -0.032 120.372 120.400 0.006 0.000 2.194 115 D HA -0.006 4.634 4.640 -0.000 0.000 0.204 115 D C 2.178 178.481 176.300 0.005 0.000 0.964 115 D CA 0.765 54.768 54.000 0.005 0.000 0.846 115 D CB -0.034 40.769 40.800 0.005 0.000 0.962 115 D HN 0.318 nan 8.370 nan 0.000 0.490 116 L N 0.612 121.839 121.223 0.006 0.000 2.109 116 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 116 L C 2.463 179.337 176.870 0.007 0.000 1.086 116 L CA 0.921 55.765 54.840 0.007 0.000 0.760 116 L CB -0.187 41.877 42.059 0.008 0.000 0.910 116 L HN -0.047 nan 8.230 nan 0.000 0.437 117 K N 0.547 120.951 120.400 0.007 0.000 2.002 117 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 117 K C 2.277 178.879 176.600 0.003 0.000 1.048 117 K CA 1.375 57.666 56.287 0.006 0.000 0.930 117 K CB 0.013 32.517 32.500 0.007 0.000 0.714 117 K HN 0.181 nan 8.250 nan 0.000 0.438 118 R N -0.366 120.136 120.500 0.003 0.000 2.120 118 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 118 R C 2.432 178.732 176.300 0.001 0.000 1.123 118 R CA 1.241 57.342 56.100 0.001 0.000 0.975 118 R CB -0.433 29.867 30.300 0.001 0.000 0.866 118 R HN 0.389 nan 8.270 nan 0.000 0.446 119 G N 1.094 109.896 108.800 0.002 0.000 2.418 119 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 119 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 119 G C 1.427 176.329 174.900 0.003 0.000 1.158 119 G CA 0.557 45.658 45.100 0.003 0.000 0.771 119 G HN 0.151 nan 8.290 nan 0.000 0.545 120 I N 0.842 121.414 120.570 0.003 0.000 2.202 120 I HA -0.115 4.055 4.170 -0.000 0.000 0.242 120 I C 2.286 178.403 176.117 -0.000 0.000 1.091 120 I CA 1.208 62.510 61.300 0.003 0.000 1.368 120 I CB -0.147 37.856 38.000 0.005 0.000 1.058 120 I HN 0.028 nan 8.210 nan 0.000 0.410 121 D N 0.700 121.098 120.400 -0.003 0.000 2.178 121 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 121 D C 2.083 178.379 176.300 -0.008 0.000 0.980 121 D CA 1.108 55.103 54.000 -0.008 0.000 0.842 121 D CB -0.138 40.655 40.800 -0.011 0.000 0.948 121 D HN 0.277 nan 8.370 nan 0.000 0.472 122 K N 0.581 120.979 120.400 -0.004 0.000 2.057 122 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 122 K C 2.001 178.600 176.600 -0.001 0.000 1.050 122 K CA 0.971 57.256 56.287 -0.003 0.000 0.935 122 K CB 0.054 32.553 32.500 -0.001 0.000 0.715 122 K HN -0.022 nan 8.250 nan 0.000 0.439 123 A N 0.605 123.425 122.820 0.000 0.000 1.933 123 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 123 A C 2.171 179.756 177.584 0.002 0.000 1.175 123 A CA 1.434 53.472 52.037 0.002 0.000 0.628 123 A CB -0.460 18.543 19.000 0.004 0.000 0.814 123 A HN 0.166 nan 8.150 nan 0.000 0.444 124 V N -0.418 119.496 119.914 -0.001 0.000 2.323 124 V HA -0.185 3.935 4.120 -0.000 0.000 0.244 124 V C 2.720 178.811 176.094 -0.006 0.000 1.041 124 V CA 2.371 64.669 62.300 -0.004 0.000 1.025 124 V CB -1.174 30.643 31.823 -0.009 0.000 0.656 124 V HN 0.601 nan 8.190 nan 0.000 0.451 125 T N 0.596 115.144 114.554 -0.009 0.000 2.803 125 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 125 T C 1.949 176.647 174.700 -0.004 0.000 1.052 125 T CA 1.551 63.645 62.100 -0.010 0.000 1.136 125 T CB -0.365 68.497 68.868 -0.011 0.000 0.864 125 T HN 0.551 nan 8.240 nan 0.000 0.467 126 A N 1.043 123.863 122.820 -0.001 0.000 1.970 126 A HA 0.408 4.728 4.320 -0.000 0.000 0.216 126 A C 2.581 180.167 177.584 0.004 0.000 1.170 126 A CA 1.319 53.357 52.037 0.002 0.000 0.645 126 A CB -0.784 18.218 19.000 0.003 0.000 0.816 126 A HN 0.492 nan 8.150 nan 0.000 0.447 127 A N -0.516 122.307 122.820 0.005 0.000 1.929 127 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 127 A C 2.136 179.725 177.584 0.008 0.000 1.176 127 A CA 1.510 53.552 52.037 0.008 0.000 0.628 127 A CB -0.721 18.284 19.000 0.009 0.000 0.816 127 A HN 0.320 nan 8.150 nan 0.000 0.444 128 V N -0.027 119.890 119.914 0.004 0.000 2.427 128 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 128 V C 2.566 178.664 176.094 0.006 0.000 1.051 128 V CA 2.317 64.620 62.300 0.004 0.000 1.048 128 V CB -0.605 31.216 31.823 -0.003 0.000 0.666 128 V HN 0.599 nan 8.190 nan 0.000 0.456 129 E N 0.334 120.537 120.200 0.004 0.000 2.106 129 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 129 E C 2.124 178.729 176.600 0.008 0.000 0.984 129 E CA 1.260 57.663 56.400 0.005 0.000 0.806 129 E CB -0.168 29.534 29.700 0.004 0.000 0.750 129 E HN 0.604 nan 8.360 nan 0.000 0.458 130 E N -0.640 119.565 120.200 0.009 0.000 2.152 130 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 130 E C 1.753 178.361 176.600 0.014 0.000 0.983 130 E CA 0.438 56.844 56.400 0.011 0.000 0.818 130 E CB -0.202 29.505 29.700 0.012 0.000 0.758 130 E HN 0.212 nan 8.360 nan 0.000 0.467 131 L N 0.726 121.957 121.223 0.014 0.000 2.093 131 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 131 L C 1.833 178.712 176.870 0.015 0.000 1.085 131 L CA 1.653 56.502 54.840 0.016 0.000 0.755 131 L CB -0.167 41.902 42.059 0.017 0.000 0.904 131 L HN 0.000 nan 8.230 nan 0.000 0.435 132 K N -0.993 119.415 120.400 0.013 0.000 2.147 132 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 132 K C 2.005 178.612 176.600 0.012 0.000 1.049 132 K CA 1.188 57.483 56.287 0.012 0.000 0.936 132 K CB -0.262 32.244 32.500 0.010 0.000 0.722 132 K HN 0.407 nan 8.250 nan 0.000 0.446 133 A N 1.016 123.843 122.820 0.012 0.000 1.968 133 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 133 A C 1.933 179.526 177.584 0.015 0.000 1.169 133 A CA 0.822 52.866 52.037 0.012 0.000 0.638 133 A CB -0.270 18.738 19.000 0.012 0.000 0.812 133 A HN 0.212 nan 8.150 nan 0.000 0.446 134 L N -0.451 120.782 121.223 0.017 0.000 2.492 134 L HA 0.067 4.407 4.340 -0.000 0.000 0.223 134 L C 1.090 177.972 176.870 0.019 0.000 1.132 134 L CA 0.071 54.922 54.840 0.020 0.000 0.850 134 L CB 0.011 42.084 42.059 0.023 0.000 0.966 134 L HN 0.351 nan 8.230 nan 0.000 0.454 135 S N -0.321 115.389 115.700 0.017 0.000 2.549 135 S HA 0.181 4.651 4.470 -0.000 0.000 0.279 135 S C -0.195 174.414 174.600 0.015 0.000 1.321 135 S CA -0.481 57.728 58.200 0.016 0.000 1.054 135 S CB 0.897 64.106 63.200 0.015 0.000 0.899 135 S HN 0.003 nan 8.310 nan 0.000 0.497 136 V N 8.578 128.500 119.914 0.015 0.000 2.311 136 V HA 0.353 4.473 4.120 -0.000 0.000 0.275 136 V C -2.098 174.002 176.094 0.011 0.000 1.022 136 V CA -1.785 60.522 62.300 0.013 0.000 0.830 136 V CB 0.831 32.663 31.823 0.014 0.000 1.012 136 V HN 0.746 nan 8.190 nan 0.000 0.452 137 P HA 0.203 nan 4.420 nan 0.000 0.272 137 P C -0.598 176.706 177.300 0.006 0.000 1.223 137 P CA -0.369 62.736 63.100 0.008 0.000 0.784 137 P CB 0.498 32.202 31.700 0.007 0.000 0.923 138 C N 2.352 121.655 119.300 0.005 0.000 2.250 138 C HA 0.304 4.763 4.460 -0.000 0.000 0.319 138 C C 1.619 176.610 174.990 0.001 0.000 1.124 138 C CA 0.266 59.286 59.018 0.003 0.000 1.527 138 C CB -0.734 27.008 27.740 0.003 0.000 2.001 138 C HN 0.590 nan 8.230 nan 0.000 0.435 139 S N 1.410 117.110 115.700 0.001 0.000 2.431 139 S HA 0.022 4.492 4.470 -0.000 0.000 0.210 139 S C 0.647 175.247 174.600 -0.001 0.000 1.013 139 S CA 0.284 58.484 58.200 0.000 0.000 0.920 139 S CB -0.142 63.058 63.200 0.001 0.000 0.882 139 S HN 0.920 nan 8.310 nan 0.000 0.567 140 D N 1.944 122.344 120.400 -0.000 0.000 2.362 140 D HA 0.064 4.704 4.640 -0.000 0.000 0.242 140 D C 0.721 177.020 176.300 -0.002 0.000 1.132 140 D CA 0.176 54.176 54.000 -0.001 0.000 0.907 140 D CB 0.837 41.637 40.800 -0.000 0.000 1.195 140 D HN 0.277 nan 8.370 nan 0.000 0.429 141 S N 0.148 115.846 115.700 -0.003 0.000 2.603 141 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 141 S C 1.373 175.971 174.600 -0.002 0.000 0.972 141 S CA 0.307 58.505 58.200 -0.003 0.000 0.935 141 S CB -0.185 63.013 63.200 -0.004 0.000 0.769 141 S HN 0.585 nan 8.310 nan 0.000 0.536 142 K N 1.006 121.405 120.400 -0.001 0.000 2.166 142 K HA 0.301 4.620 4.320 -0.000 0.000 0.201 142 K C 2.130 178.730 176.600 -0.000 0.000 1.052 142 K CA 0.749 57.035 56.287 -0.001 0.000 0.969 142 K CB -0.319 32.181 32.500 -0.000 0.000 0.761 142 K HN 0.410 nan 8.250 nan 0.000 0.459 143 A N 0.711 123.531 122.820 0.000 0.000 2.072 143 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 143 A C 1.837 179.422 177.584 0.001 0.000 1.156 143 A CA 0.574 52.612 52.037 0.001 0.000 0.701 143 A CB -0.313 18.688 19.000 0.002 0.000 0.816 143 A HN 0.250 nan 8.150 nan 0.000 0.458 144 I N -0.282 120.288 120.570 -0.001 0.000 2.315 144 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 144 I C 2.845 178.961 176.117 -0.001 0.000 1.117 144 I CA 0.953 62.252 61.300 -0.002 0.000 1.404 144 I CB -0.153 37.845 38.000 -0.004 0.000 1.071 144 I HN 0.339 nan 8.210 nan 0.000 0.419 145 A N 0.032 122.851 122.820 -0.002 0.000 1.969 145 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 145 A C 2.243 179.826 177.584 -0.001 0.000 1.169 145 A CA 1.290 53.326 52.037 -0.002 0.000 0.635 145 A CB -0.456 18.543 19.000 -0.002 0.000 0.810 145 A HN 0.447 nan 8.150 nan 0.000 0.445 146 Q N -0.496 119.304 119.800 0.000 0.000 2.119 146 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 146 Q C 2.085 178.085 176.000 0.001 0.000 0.972 146 Q CA 1.609 57.412 55.803 0.000 0.000 0.847 146 Q CB -0.252 28.486 28.738 0.001 0.000 0.903 146 Q HN 0.538 nan 8.270 nan 0.000 0.433 147 V N -0.064 119.851 119.914 0.002 0.000 2.379 147 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 147 V C 2.177 178.274 176.094 0.004 0.000 1.044 147 V CA 1.855 64.157 62.300 0.004 0.000 1.036 147 V CB -0.944 30.881 31.823 0.005 0.000 0.664 147 V HN 0.477 nan 8.190 nan 0.000 0.453 148 G N -0.444 108.357 108.800 0.003 0.000 2.471 148 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 148 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 148 G C 1.618 176.520 174.900 0.002 0.000 1.125 148 G CA 1.377 46.479 45.100 0.004 0.000 0.775 148 G HN 0.486 nan 8.290 nan 0.000 0.548 149 T N 1.309 115.863 114.554 0.001 0.000 2.770 149 T HA 0.017 4.367 4.350 -0.000 0.000 0.258 149 T C 2.360 177.059 174.700 -0.002 0.000 1.039 149 T CA 0.800 62.900 62.100 -0.001 0.000 1.143 149 T CB -0.110 68.757 68.868 -0.002 0.000 0.866 149 T HN 0.267 nan 8.240 nan 0.000 0.428 150 I N 1.322 121.891 120.570 -0.002 0.000 2.676 150 I HA -0.047 4.123 4.170 -0.000 0.000 0.259 150 I C 2.351 178.466 176.117 -0.003 0.000 1.194 150 I CA 0.635 61.932 61.300 -0.004 0.000 1.473 150 I CB -0.299 37.697 38.000 -0.005 0.000 1.096 150 I HN 0.125 nan 8.210 nan 0.000 0.443 151 S N 0.858 116.559 115.700 0.001 0.000 2.461 151 S HA 0.088 4.558 4.470 -0.000 0.000 0.228 151 S C 1.670 176.272 174.600 0.002 0.000 1.005 151 S CA 0.920 59.123 58.200 0.003 0.000 0.942 151 S CB -0.036 63.170 63.200 0.010 0.000 0.776 151 S HN 0.500 nan 8.310 nan 0.000 0.514 152 A N 1.480 124.301 122.820 0.001 0.000 2.708 152 A HA 0.465 4.785 4.320 -0.000 0.000 0.293 152 A C 0.429 178.011 177.584 -0.003 0.000 1.303 152 A CA -0.519 51.518 52.037 0.000 0.000 0.949 152 A CB -0.562 18.439 19.000 0.002 0.000 1.121 152 A HN 0.310 nan 8.150 nan 0.000 0.542 153 N N 0.209 118.906 118.700 -0.005 0.000 2.681 153 N HA -0.203 4.537 4.740 -0.000 0.000 0.259 153 N C 0.202 175.708 175.510 -0.007 0.000 1.066 153 N CA 1.028 54.073 53.050 -0.007 0.000 0.717 153 N CB -1.873 36.610 38.487 -0.008 0.000 0.885 153 N HN 0.547 nan 8.380 nan 0.000 0.547 154 S N -1.101 114.595 115.700 -0.007 0.000 3.533 154 S HA -0.239 4.231 4.470 -0.000 0.000 0.347 154 S C -0.324 174.273 174.600 -0.005 0.000 1.101 154 S CA 0.981 59.177 58.200 -0.007 0.000 1.009 154 S CB -0.804 62.391 63.200 -0.009 0.000 0.916 154 S HN 0.726 nan 8.310 nan 0.000 0.496 155 D N 0.865 121.262 120.400 -0.004 0.000 2.359 155 D HA 0.265 4.904 4.640 -0.000 0.000 0.230 155 D C 0.982 177.280 176.300 -0.003 0.000 1.118 155 D CA -0.343 53.655 54.000 -0.003 0.000 0.844 155 D CB 0.767 41.566 40.800 -0.003 0.000 1.059 155 D HN 0.417 nan 8.370 nan 0.000 0.493 156 E N 1.166 121.364 120.200 -0.003 0.000 2.285 156 E HA -0.060 4.290 4.350 -0.000 0.000 0.194 156 E C 1.322 177.921 176.600 -0.002 0.000 0.997 156 E CA 0.677 57.075 56.400 -0.003 0.000 0.845 156 E CB 0.430 30.128 29.700 -0.003 0.000 0.782 156 E HN 0.476 nan 8.360 nan 0.000 0.491 157 T N 0.574 115.126 114.554 -0.002 0.000 2.867 157 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 157 T C 2.114 176.812 174.700 -0.002 0.000 1.057 157 T CA 0.731 62.830 62.100 -0.002 0.000 1.136 157 T CB -0.067 68.800 68.868 -0.002 0.000 0.874 157 T HN -0.016 nan 8.240 nan 0.000 0.466 158 V N 1.670 121.583 119.914 -0.001 0.000 2.270 158 V HA -0.031 4.089 4.120 -0.000 0.000 0.245 158 V C 2.952 179.046 176.094 -0.001 0.000 1.043 158 V CA 1.944 64.244 62.300 -0.001 0.000 1.014 158 V CB -1.406 30.417 31.823 0.001 0.000 0.645 158 V HN 0.565 nan 8.190 nan 0.000 0.447 159 G N -0.624 108.176 108.800 -0.001 0.000 2.448 159 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 159 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 159 G C 1.642 176.541 174.900 -0.003 0.000 1.127 159 G CA 0.929 46.028 45.100 -0.001 0.000 0.766 159 G HN 0.482 nan 8.290 nan 0.000 0.552 160 K N -0.178 120.221 120.400 -0.003 0.000 2.097 160 K HA 0.125 4.444 4.320 -0.000 0.000 0.205 160 K C 2.420 179.017 176.600 -0.004 0.000 1.050 160 K CA 0.510 56.795 56.287 -0.003 0.000 0.938 160 K CB -0.184 32.314 32.500 -0.003 0.000 0.718 160 K HN 0.323 nan 8.250 nan 0.000 0.442 161 L N 0.763 121.984 121.223 -0.004 0.000 2.056 161 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 161 L C 2.261 179.127 176.870 -0.007 0.000 1.078 161 L CA 0.952 55.789 54.840 -0.005 0.000 0.749 161 L CB -0.265 41.791 42.059 -0.004 0.000 0.901 161 L HN 0.183 nan 8.230 nan 0.000 0.433 162 I N -0.199 120.367 120.570 -0.006 0.000 2.179 162 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 162 I C 2.788 178.900 176.117 -0.009 0.000 1.088 162 I CA 1.222 62.517 61.300 -0.009 0.000 1.357 162 I CB -0.562 37.433 38.000 -0.007 0.000 1.051 162 I HN 0.179 nan 8.210 nan 0.000 0.409 163 A N 0.318 123.134 122.820 -0.007 0.000 1.933 163 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 163 A C 2.250 179.829 177.584 -0.008 0.000 1.175 163 A CA 1.682 53.715 52.037 -0.007 0.000 0.628 163 A CB -0.546 18.451 19.000 -0.005 0.000 0.814 163 A HN 0.456 nan 8.150 nan 0.000 0.444 164 E N -0.573 119.623 120.200 -0.007 0.000 2.152 164 E HA -0.026 4.324 4.350 -0.000 0.000 0.192 164 E C 2.260 178.854 176.600 -0.009 0.000 0.983 164 E CA 0.699 57.095 56.400 -0.007 0.000 0.818 164 E CB -0.179 29.517 29.700 -0.007 0.000 0.758 164 E HN 0.629 nan 8.360 nan 0.000 0.467 165 A N 0.908 123.722 122.820 -0.010 0.000 1.929 165 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 165 A C 2.073 179.648 177.584 -0.014 0.000 1.176 165 A CA 0.972 53.001 52.037 -0.013 0.000 0.628 165 A CB -0.265 18.726 19.000 -0.015 0.000 0.816 165 A HN 0.125 nan 8.150 nan 0.000 0.444 166 M N -1.050 118.542 119.600 -0.014 0.000 2.492 166 M HA -0.059 4.421 4.480 -0.000 0.000 0.262 166 M C 1.211 177.504 176.300 -0.012 0.000 1.090 166 M CA 1.170 56.462 55.300 -0.015 0.000 1.110 166 M CB -0.292 32.299 32.600 -0.015 0.000 1.407 166 M HN 0.335 nan 8.290 nan 0.000 0.470 167 D N 0.386 120.780 120.400 -0.010 0.000 2.347 167 D HA -0.049 4.591 4.640 -0.000 0.000 0.213 167 D C 2.005 178.299 176.300 -0.009 0.000 0.985 167 D CA 0.799 54.794 54.000 -0.009 0.000 0.879 167 D CB 0.433 41.228 40.800 -0.007 0.000 0.919 167 D HN 0.033 nan 8.370 nan 0.000 0.526 168 K N -0.456 119.938 120.400 -0.010 0.000 2.121 168 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 168 K C 1.910 178.503 176.600 -0.011 0.000 1.041 168 K CA 0.879 57.161 56.287 -0.010 0.000 0.969 168 K CB 0.026 32.520 32.500 -0.010 0.000 0.799 168 K HN 0.160 nan 8.250 nan 0.000 0.456 169 V N -2.459 117.447 119.914 -0.013 0.000 3.471 169 V HA 0.351 4.470 4.120 -0.000 0.000 0.258 169 V C 0.841 176.926 176.094 -0.014 0.000 1.192 169 V CA 0.437 62.729 62.300 -0.013 0.000 1.116 169 V CB -0.305 31.509 31.823 -0.016 0.000 0.792 169 V HN 0.391 nan 8.190 nan 0.000 0.459 170 G N 0.955 109.747 108.800 -0.014 0.000 2.566 170 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.599 170 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.599 170 G C 0.010 174.901 174.900 -0.016 0.000 1.292 170 G CA 0.006 45.098 45.100 -0.013 0.000 0.922 170 G HN 0.274 nan 8.290 nan 0.000 0.514 171 K N 0.023 120.415 120.400 -0.015 0.000 2.228 171 K HA 0.056 4.376 4.320 -0.000 0.000 0.202 171 K C 1.820 178.409 176.600 -0.020 0.000 1.051 171 K CA 1.418 57.696 56.287 -0.016 0.000 0.960 171 K CB 0.076 32.569 32.500 -0.013 0.000 0.743 171 K HN 0.465 nan 8.250 nan 0.000 0.458 172 E N 0.650 120.839 120.200 -0.018 0.000 2.447 172 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 172 E C 1.008 177.595 176.600 -0.022 0.000 1.028 172 E CA 0.072 56.461 56.400 -0.019 0.000 0.876 172 E CB 0.217 29.908 29.700 -0.015 0.000 0.885 172 E HN 0.237 nan 8.360 nan 0.000 0.500 173 G N 1.307 110.094 108.800 -0.021 0.000 2.664 173 G HA2 0.210 4.170 3.960 -0.000 0.000 0.242 173 G HA3 0.210 4.170 3.960 -0.000 0.000 0.242 173 G C 0.086 174.968 174.900 -0.029 0.000 1.225 173 G CA -0.431 44.656 45.100 -0.022 0.000 0.849 173 G HN -0.043 nan 8.290 nan 0.000 0.581 174 V N 1.225 121.123 119.914 -0.028 0.000 2.383 174 V HA 0.383 4.503 4.120 -0.000 0.000 0.275 174 V C 0.148 176.220 176.094 -0.035 0.000 1.036 174 V CA -0.207 62.072 62.300 -0.036 0.000 0.889 174 V CB 0.794 32.598 31.823 -0.031 0.000 0.985 174 V HN 0.481 nan 8.190 nan 0.000 0.459 175 I N 4.272 124.815 120.570 -0.045 0.000 2.436 175 I HA 0.604 4.774 4.170 -0.000 0.000 0.289 175 I C -0.045 176.048 176.117 -0.041 0.000 1.010 175 I CA -0.099 61.178 61.300 -0.039 0.000 1.098 175 I CB 2.241 40.218 38.000 -0.040 0.000 1.266 175 I HN 0.558 nan 8.210 nan 0.000 0.434 176 T N 4.568 119.104 114.554 -0.030 0.000 2.900 176 T HA 0.592 4.942 4.350 -0.000 0.000 0.295 176 T C -0.612 174.078 174.700 -0.015 0.000 1.044 176 T CA -0.651 61.434 62.100 -0.024 0.000 0.995 176 T CB 2.506 71.359 68.868 -0.025 0.000 1.072 176 T HN 0.161 nan 8.240 nan 0.000 0.473 177 V N 2.899 122.808 119.914 -0.008 0.000 2.459 177 V HA 0.598 4.718 4.120 -0.000 0.000 0.295 177 V C -0.168 175.924 176.094 -0.003 0.000 1.029 177 V CA -0.630 61.668 62.300 -0.004 0.000 0.874 177 V CB 1.533 33.358 31.823 0.003 0.000 0.985 177 V HN 1.030 nan 8.190 nan 0.000 0.438 178 E N 2.552 122.749 120.200 -0.005 0.000 2.445 178 E HA 0.502 4.852 4.350 -0.000 0.000 0.273 178 E C -1.497 175.100 176.600 -0.005 0.000 0.961 178 E CA -1.127 55.270 56.400 -0.005 0.000 0.807 178 E CB 1.463 31.158 29.700 -0.008 0.000 1.362 178 E HN 0.449 nan 8.360 nan 0.000 0.453 179 D N 0.576 120.973 120.400 -0.005 0.000 2.443 179 D HA 0.152 4.792 4.640 -0.000 0.000 0.239 179 D C 0.171 176.468 176.300 -0.005 0.000 1.136 179 D CA 0.524 54.521 54.000 -0.005 0.000 0.879 179 D CB 1.072 41.869 40.800 -0.005 0.000 1.195 179 D HN 0.536 nan 8.370 nan 0.000 0.443 180 G N -0.176 108.621 108.800 -0.005 0.000 2.537 180 G HA2 0.275 4.235 3.960 -0.000 0.000 0.273 180 G HA3 0.275 4.235 3.960 -0.000 0.000 0.273 180 G C 1.062 175.959 174.900 -0.005 0.000 1.189 180 G CA -0.229 44.868 45.100 -0.005 0.000 0.881 180 G HN 0.454 nan 8.290 nan 0.000 0.535 181 T N -2.315 112.236 114.554 -0.005 0.000 3.031 181 T HA 0.412 4.762 4.350 -0.000 0.000 0.254 181 T C 1.272 175.969 174.700 -0.004 0.000 1.060 181 T CA 1.121 63.217 62.100 -0.005 0.000 1.135 181 T CB 0.258 69.123 68.868 -0.006 0.000 0.896 181 T HN 0.995 nan 8.240 nan 0.000 0.472 182 G N 0.840 109.638 108.800 -0.004 0.000 3.400 182 G HA2 0.457 4.416 3.960 -0.000 0.000 0.167 182 G HA3 0.457 4.416 3.960 -0.000 0.000 0.167 182 G C -0.210 174.688 174.900 -0.003 0.000 1.196 182 G CA -0.009 45.088 45.100 -0.004 0.000 1.174 182 G HN 0.249 nan 8.290 nan 0.000 0.681 183 L N -0.048 121.173 121.223 -0.003 0.000 2.590 183 L HA 0.548 4.888 4.340 -0.000 0.000 0.227 183 L C 0.576 177.444 176.870 -0.003 0.000 1.099 183 L CA 0.550 55.388 54.840 -0.003 0.000 0.872 183 L CB 0.173 42.231 42.059 -0.003 0.000 1.088 183 L HN 0.407 nan 8.230 nan 0.000 0.479 184 Q N 0.099 119.897 119.800 -0.003 0.000 2.377 184 Q HA 0.284 4.623 4.340 -0.000 0.000 0.271 184 Q C -1.168 174.830 176.000 -0.004 0.000 1.077 184 Q CA -0.881 54.920 55.803 -0.003 0.000 0.820 184 Q CB 1.772 30.508 28.738 -0.003 0.000 1.347 184 Q HN 0.083 nan 8.270 nan 0.000 0.444 185 D N 2.704 123.101 120.400 -0.004 0.000 2.371 185 D HA 0.057 4.697 4.640 -0.000 0.000 0.256 185 D C -0.436 175.861 176.300 -0.005 0.000 1.193 185 D CA 0.597 54.594 54.000 -0.004 0.000 0.881 185 D CB 0.826 41.624 40.800 -0.004 0.000 1.143 185 D HN 0.333 nan 8.370 nan 0.000 0.473 186 E N 0.879 121.076 120.200 -0.005 0.000 2.212 186 E HA 0.560 4.910 4.350 -0.000 0.000 0.270 186 E C -0.722 175.874 176.600 -0.007 0.000 0.956 186 E CA -1.029 55.367 56.400 -0.006 0.000 0.825 186 E CB 2.298 31.994 29.700 -0.006 0.000 1.167 186 E HN 0.110 nan 8.360 nan 0.000 0.400 187 L N 2.737 123.956 121.223 -0.007 0.000 2.555 187 L HA 0.357 4.697 4.340 -0.000 0.000 0.264 187 L C -1.905 174.960 176.870 -0.008 0.000 0.972 187 L CA -0.276 54.559 54.840 -0.008 0.000 0.876 187 L CB 1.302 43.356 42.059 -0.008 0.000 1.216 187 L HN 0.383 nan 8.230 nan 0.000 0.415 188 D N 3.598 123.993 120.400 -0.009 0.000 2.433 188 D HA 0.554 5.194 4.640 -0.000 0.000 0.236 188 D C -0.876 175.418 176.300 -0.010 0.000 1.026 188 D CA -0.289 53.706 54.000 -0.009 0.000 0.884 188 D CB 2.960 43.755 40.800 -0.009 0.000 1.384 188 D HN 0.201 nan 8.370 nan 0.000 0.477 189 V N 1.499 121.407 119.914 -0.009 0.000 2.313 189 V HA 0.310 4.430 4.120 -0.000 0.000 0.278 189 V C 0.318 176.406 176.094 -0.009 0.000 1.017 189 V CA -0.699 61.595 62.300 -0.010 0.000 0.823 189 V CB 1.117 32.934 31.823 -0.009 0.000 1.010 189 V HN 0.420 nan 8.190 nan 0.000 0.443 190 V N 1.637 121.545 119.914 -0.010 0.000 2.850 190 V HA 0.648 4.768 4.120 -0.000 0.000 0.315 190 V C 0.078 176.167 176.094 -0.008 0.000 1.064 190 V CA -0.990 61.305 62.300 -0.009 0.000 0.979 190 V CB 1.934 33.750 31.823 -0.011 0.000 1.039 190 V HN 0.674 nan 8.190 nan 0.000 0.452 191 E N 2.307 122.503 120.200 -0.006 0.000 2.238 191 E HA 0.497 4.847 4.350 -0.000 0.000 0.264 191 E C 0.273 176.873 176.600 -0.000 0.000 1.136 191 E CA 0.639 57.037 56.400 -0.003 0.000 0.929 191 E CB 0.748 30.446 29.700 -0.003 0.000 1.010 191 E HN 1.083 nan 8.360 nan 0.000 0.440 192 G N 1.705 110.507 108.800 0.003 0.000 2.721 192 G HA2 0.687 4.647 3.960 -0.000 0.000 0.296 192 G HA3 0.687 4.647 3.960 -0.000 0.000 0.296 192 G C -1.151 173.761 174.900 0.020 0.000 1.383 192 G CA -0.638 44.468 45.100 0.009 0.000 0.788 192 G HN 0.370 nan 8.290 nan 0.000 0.500 193 M N -0.009 119.613 119.600 0.036 0.000 2.520 193 M HA 0.497 4.977 4.480 -0.000 0.000 0.280 193 M C -2.044 174.295 176.300 0.066 0.000 1.232 193 M CA -0.631 54.707 55.300 0.063 0.000 0.892 193 M CB 2.717 35.377 32.600 0.100 0.000 1.728 193 M HN 0.628 nan 8.290 nan 0.000 0.475 194 Q N 3.627 123.464 119.800 0.060 0.000 2.323 194 Q HA 0.633 4.972 4.340 -0.000 0.000 0.271 194 Q C -2.101 173.941 176.000 0.071 0.000 1.048 194 Q CA -0.612 55.182 55.803 -0.016 0.000 0.792 194 Q CB 1.990 30.689 28.738 -0.066 0.000 1.280 194 Q HN 0.595 nan 8.270 nan 0.000 0.441 195 F N -0.025 119.912 119.950 -0.022 0.000 2.593 195 F HA 0.568 5.095 4.527 -0.000 0.000 0.320 195 F C -0.622 175.167 175.800 -0.020 0.000 1.060 195 F CA -1.227 56.761 58.000 -0.020 0.000 0.940 195 F CB 1.102 40.091 39.000 -0.017 0.000 1.268 195 F HN 0.329 nan 8.300 nan 0.000 0.475 196 D N 1.810 122.310 120.400 0.168 0.000 3.057 196 D HA 0.261 4.901 4.640 -0.000 0.000 0.246 196 D C -0.456 175.899 176.300 0.092 0.000 1.238 196 D CA 0.061 54.096 54.000 0.058 0.000 0.949 196 D CB -0.072 40.764 40.800 0.058 0.000 1.086 196 D HN 0.211 nan 8.370 nan 0.000 0.487 197 R N 0.245 120.789 120.500 0.073 0.000 2.628 197 R HA 0.656 4.996 4.340 -0.000 0.000 0.288 197 R C 0.421 176.684 176.300 -0.061 0.000 0.980 197 R CA -0.783 55.368 56.100 0.084 0.000 0.891 197 R CB 1.963 32.426 30.300 0.273 0.000 1.188 197 R HN 0.262 nan 8.270 nan 0.000 0.450 198 G N 0.965 109.709 108.800 -0.093 0.000 2.532 198 G HA2 0.357 4.317 3.960 -0.000 0.000 0.291 198 G HA3 0.357 4.317 3.960 -0.000 0.000 0.291 198 G C -0.639 174.187 174.900 -0.125 0.000 1.349 198 G CA -0.427 44.532 45.100 -0.234 0.000 1.038 198 G HN 0.463 nan 8.290 nan 0.000 0.518 199 Y N -1.236 119.066 120.300 0.003 0.000 2.480 199 Y HA 0.331 4.882 4.550 0.001 0.000 0.338 199 Y C 1.345 177.293 175.900 0.080 0.000 1.220 199 Y CA -1.223 56.887 58.100 0.016 0.000 1.430 199 Y CB 0.443 38.940 38.460 0.062 0.000 1.311 199 Y HN 0.255 nan 8.280 nan 0.000 0.575 200 L N 1.576 122.998 121.223 0.333 0.000 2.156 200 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 200 L C 0.627 177.726 176.870 0.381 0.000 1.095 200 L CA 1.348 56.373 54.840 0.308 0.000 0.770 200 L CB -0.101 42.104 42.059 0.242 0.000 0.914 200 L HN 0.916 nan 8.230 nan 0.000 0.439 201 S N -3.392 112.606 115.700 0.497 0.000 2.556 201 S HA 0.433 4.903 4.470 -0.000 0.000 0.271 201 S C -2.323 172.265 174.600 -0.021 0.000 1.135 201 S CA -1.172 57.179 58.200 0.253 0.000 0.858 201 S CB 1.556 64.841 63.200 0.142 0.000 1.114 201 S HN -0.241 nan 8.310 nan 0.000 0.468 202 P HA 0.034 nan 4.420 nan 0.000 0.221 202 P C 0.406 177.388 177.300 -0.530 0.000 1.150 202 P CA 0.901 63.633 63.100 -0.614 0.000 0.800 202 P CB -0.204 31.213 31.700 -0.471 0.000 0.787 203 Y N -2.555 117.577 120.300 -0.281 0.000 2.553 203 Y HA 0.047 4.597 4.550 0.001 0.000 0.303 203 Y C 1.511 177.233 175.900 -0.295 0.000 1.194 203 Y CA 0.398 58.335 58.100 -0.272 0.000 1.305 203 Y CB -1.136 37.164 38.460 -0.268 0.000 1.045 203 Y HN -0.087 nan 8.280 nan 0.000 0.514 204 F N -0.417 119.481 119.950 -0.088 0.000 2.615 204 F HA 0.057 4.584 4.527 0.001 0.000 0.297 204 F C 1.111 176.872 175.800 -0.064 0.000 1.124 204 F CA -0.290 57.677 58.000 -0.054 0.000 1.451 204 F CB -0.325 38.651 39.000 -0.041 0.000 1.103 204 F HN -0.148 nan 8.300 nan 0.000 0.569 205 I N 2.099 122.682 120.570 0.021 0.000 2.815 205 I HA -0.164 4.005 4.170 -0.000 0.000 0.291 205 I C 1.018 177.153 176.117 0.029 0.000 1.209 205 I CA 0.497 61.798 61.300 0.001 0.000 1.431 205 I CB 0.371 38.324 38.000 -0.078 0.000 1.351 205 I HN 0.213 nan 8.210 nan 0.000 0.585 206 N N 3.763 122.483 118.700 0.035 0.000 2.118 206 N HA 0.031 4.771 4.740 -0.000 0.000 0.226 206 N C -0.112 175.406 175.510 0.014 0.000 1.305 206 N CA -0.188 52.877 53.050 0.026 0.000 0.890 206 N CB 0.413 38.922 38.487 0.037 0.000 1.118 206 N HN 0.298 nan 8.380 nan 0.000 0.511 207 K N 2.703 123.112 120.400 0.014 0.000 2.284 207 K HA 0.239 4.558 4.320 -0.000 0.000 0.287 207 K C -1.503 175.096 176.600 -0.002 0.000 1.081 207 K CA -1.551 54.740 56.287 0.008 0.000 0.910 207 K CB 1.807 34.316 32.500 0.014 0.000 1.088 207 K HN 0.052 nan 8.250 nan 0.000 0.478 208 P HA -0.143 nan 4.420 nan 0.000 0.219 208 P C 0.458 177.750 177.300 -0.014 0.000 1.146 208 P CA 1.316 64.408 63.100 -0.012 0.000 0.808 208 P CB 0.678 32.371 31.700 -0.013 0.000 0.779 209 E N -1.674 118.519 120.200 -0.011 0.000 2.406 209 E HA 0.025 4.375 4.350 -0.000 0.000 0.204 209 E C 1.861 178.452 176.600 -0.015 0.000 0.820 209 E CA 0.773 57.164 56.400 -0.015 0.000 1.136 209 E CB -0.670 29.021 29.700 -0.015 0.000 1.129 209 E HN 0.031 nan 8.360 nan 0.000 0.530 210 T N -0.528 114.022 114.554 -0.007 0.000 2.915 210 T HA 0.074 4.424 4.350 -0.000 0.000 0.269 210 T C 1.241 175.948 174.700 0.012 0.000 1.071 210 T CA 0.840 62.938 62.100 -0.003 0.000 1.132 210 T CB -0.341 68.532 68.868 0.008 0.000 0.878 210 T HN 0.357 nan 8.240 nan 0.000 0.479 211 G N 1.541 110.353 108.800 0.019 0.000 2.353 211 G HA2 0.131 4.090 3.960 -0.000 0.000 0.294 211 G HA3 0.131 4.090 3.960 -0.000 0.000 0.294 211 G C -0.079 174.890 174.900 0.115 0.000 1.077 211 G CA -0.110 45.018 45.100 0.047 0.000 1.098 211 G HN 0.975 nan 8.290 nan 0.000 0.511 212 A N -0.864 122.007 122.820 0.085 0.000 2.556 212 A HA 0.924 5.243 4.320 -0.000 0.000 0.294 212 A C -0.431 177.206 177.584 0.090 0.000 1.091 212 A CA -0.340 51.762 52.037 0.108 0.000 0.704 212 A CB 2.137 21.175 19.000 0.064 0.000 1.300 212 A HN 1.427 nan 8.150 nan 0.000 0.406 213 V N 1.202 121.178 119.914 0.103 0.000 2.334 213 V HA 0.491 4.611 4.120 -0.000 0.000 0.281 213 V C -0.204 175.916 176.094 0.044 0.000 1.016 213 V CA -0.281 62.067 62.300 0.080 0.000 0.832 213 V CB 0.954 32.835 31.823 0.097 0.000 0.999 213 V HN 0.906 nan 8.190 nan 0.000 0.439 214 E N 4.900 125.121 120.200 0.034 0.000 2.155 214 E HA 0.663 5.013 4.350 -0.000 0.000 0.264 214 E C -1.471 175.139 176.600 0.015 0.000 0.886 214 E CA -0.521 55.889 56.400 0.017 0.000 0.752 214 E CB 1.332 31.040 29.700 0.014 0.000 1.133 214 E HN 0.657 nan 8.360 nan 0.000 0.414 215 L N 3.782 125.009 121.223 0.005 0.000 2.349 215 L HA 0.458 4.798 4.340 -0.000 0.000 0.278 215 L C -0.360 176.502 176.870 -0.014 0.000 0.996 215 L CA -0.785 54.057 54.840 0.003 0.000 0.825 215 L CB 1.884 43.948 42.059 0.008 0.000 1.243 215 L HN 0.464 nan 8.230 nan 0.000 0.412 216 E N 1.664 121.854 120.200 -0.016 0.000 2.200 216 E HA 0.247 4.596 4.350 -0.000 0.000 0.283 216 E C -0.103 176.463 176.600 -0.057 0.000 1.015 216 E CA -0.405 55.976 56.400 -0.032 0.000 0.819 216 E CB 1.205 30.892 29.700 -0.022 0.000 1.081 216 E HN 0.599 nan 8.360 nan 0.000 0.397 217 S N 2.479 118.125 115.700 -0.090 0.000 3.524 217 S HA -0.117 4.353 4.470 -0.000 0.000 0.377 217 S C -2.383 172.077 174.600 -0.232 0.000 0.949 217 S CA 0.035 58.134 58.200 -0.167 0.000 1.264 217 S CB -1.121 61.980 63.200 -0.165 0.000 0.918 217 S HN 0.430 nan 8.310 nan 0.000 0.517 218 P HA 0.511 nan 4.420 nan 0.000 0.296 218 P C 0.055 177.262 177.300 -0.155 0.000 1.306 218 P CA -0.646 62.387 63.100 -0.112 0.000 0.818 218 P CB 0.396 32.080 31.700 -0.026 0.000 0.969 219 F N 2.470 122.426 119.950 0.011 0.000 2.496 219 F HA 0.234 4.760 4.527 -0.001 0.000 0.344 219 F C 1.203 177.009 175.800 0.011 0.000 1.155 219 F CA 0.358 58.364 58.000 0.010 0.000 1.302 219 F CB 0.203 39.209 39.000 0.010 0.000 1.159 219 F HN 0.125 nan 8.300 nan 0.000 0.595 220 I N 3.816 124.511 120.570 0.208 0.000 2.410 220 I HA 0.241 4.411 4.170 -0.000 0.000 0.286 220 I C -1.052 175.124 176.117 0.098 0.000 1.009 220 I CA -0.776 60.594 61.300 0.116 0.000 1.111 220 I CB 1.616 39.663 38.000 0.078 0.000 1.262 220 I HN 0.299 nan 8.210 nan 0.000 0.443 221 L N 8.050 129.316 121.223 0.072 0.000 2.307 221 L HA 0.581 4.921 4.340 -0.000 0.000 0.282 221 L C -1.004 175.884 176.870 0.030 0.000 1.051 221 L CA -0.140 54.727 54.840 0.045 0.000 0.804 221 L CB 1.188 43.269 42.059 0.036 0.000 1.197 221 L HN 0.442 nan 8.230 nan 0.000 0.431 222 L N 5.510 126.743 121.223 0.018 0.000 2.372 222 L HA 0.759 5.098 4.340 -0.000 0.000 0.273 222 L C -0.665 176.204 176.870 -0.001 0.000 0.989 222 L CA -0.470 54.372 54.840 0.003 0.000 0.841 222 L CB 1.615 43.672 42.059 -0.004 0.000 1.225 222 L HN 0.751 nan 8.230 nan 0.000 0.414 223 A N 1.155 123.974 122.820 -0.002 0.000 2.335 223 A HA 0.408 4.728 4.320 -0.000 0.000 0.304 223 A C 0.071 177.653 177.584 -0.004 0.000 1.118 223 A CA -0.459 51.578 52.037 0.001 0.000 0.757 223 A CB 1.392 20.397 19.000 0.009 0.000 1.188 223 A HN 0.732 nan 8.150 nan 0.000 0.460 224 D N 1.567 121.964 120.400 -0.005 0.000 2.234 224 D HA -0.012 4.627 4.640 -0.000 0.000 0.205 224 D C 0.640 176.943 176.300 0.005 0.000 0.962 224 D CA 1.157 55.154 54.000 -0.005 0.000 0.855 224 D CB 0.153 40.949 40.800 -0.007 0.000 0.951 224 D HN 0.600 nan 8.370 nan 0.000 0.500 225 K N -0.036 120.369 120.400 0.008 0.000 2.098 225 K HA 0.337 4.657 4.320 -0.000 0.000 0.261 225 K C -0.225 176.386 176.600 0.018 0.000 0.987 225 K CA -0.712 55.583 56.287 0.014 0.000 0.916 225 K CB 1.085 33.593 32.500 0.012 0.000 1.039 225 K HN -0.279 nan 8.250 nan 0.000 0.455 226 K N 1.869 122.283 120.400 0.022 0.000 2.401 226 K HA 0.130 4.449 4.320 -0.000 0.000 0.278 226 K C -0.344 176.272 176.600 0.027 0.000 1.018 226 K CA -0.006 56.297 56.287 0.028 0.000 0.981 226 K CB 0.208 32.725 32.500 0.029 0.000 0.933 226 K HN 0.562 nan 8.250 nan 0.000 0.477 227 I N 2.011 122.601 120.570 0.033 0.000 2.330 227 I HA 0.066 4.236 4.170 -0.000 0.000 0.286 227 I C 0.722 176.861 176.117 0.037 0.000 1.025 227 I CA -0.191 61.129 61.300 0.033 0.000 1.197 227 I CB 1.597 39.619 38.000 0.037 0.000 1.358 227 I HN 0.572 nan 8.210 nan 0.000 0.467 228 S N 3.722 119.440 115.700 0.031 0.000 2.431 228 S HA 0.120 4.590 4.470 -0.000 0.000 0.210 228 S C 0.724 175.341 174.600 0.028 0.000 1.013 228 S CA 0.343 58.561 58.200 0.030 0.000 0.920 228 S CB 0.038 63.253 63.200 0.024 0.000 0.882 228 S HN 0.640 nan 8.310 nan 0.000 0.567 229 N N 1.126 119.839 118.700 0.023 0.000 2.525 229 N HA 0.258 4.998 4.740 -0.000 0.000 0.271 229 N C 0.255 175.778 175.510 0.023 0.000 1.194 229 N CA 0.043 53.105 53.050 0.020 0.000 0.964 229 N CB 0.593 39.089 38.487 0.015 0.000 1.126 229 N HN 0.127 nan 8.380 nan 0.000 0.452 230 I N 1.277 121.860 120.570 0.022 0.000 3.684 230 I HA 0.018 4.187 4.170 -0.000 0.000 0.304 230 I C 1.424 177.551 176.117 0.017 0.000 1.278 230 I CA 0.259 61.574 61.300 0.024 0.000 1.272 230 I CB 0.065 38.081 38.000 0.026 0.000 1.029 230 I HN 0.395 nan 8.210 nan 0.000 0.458 231 R N 0.456 120.964 120.500 0.013 0.000 2.249 231 R HA -0.160 4.180 4.340 -0.000 0.000 0.230 231 R C 1.414 177.719 176.300 0.008 0.000 1.121 231 R CA 1.263 57.368 56.100 0.009 0.000 0.997 231 R CB -0.280 30.025 30.300 0.008 0.000 0.867 231 R HN 0.541 nan 8.270 nan 0.000 0.465 232 E N -0.314 119.893 120.200 0.011 0.000 2.307 232 E HA 0.063 4.413 4.350 -0.000 0.000 0.195 232 E C 1.864 178.470 176.600 0.009 0.000 0.975 232 E CA 0.180 56.586 56.400 0.009 0.000 0.878 232 E CB 0.204 29.910 29.700 0.011 0.000 0.845 232 E HN 0.178 nan 8.360 nan 0.000 0.488 233 M N 0.648 120.256 119.600 0.014 0.000 2.349 233 M HA -0.011 4.469 4.480 -0.000 0.000 0.266 233 M C 2.203 178.508 176.300 0.009 0.000 1.076 233 M CA 0.851 56.160 55.300 0.016 0.000 1.126 233 M CB -0.364 32.252 32.600 0.027 0.000 1.392 233 M HN 0.160 nan 8.290 nan 0.000 0.440 234 L N 0.626 121.854 121.223 0.008 0.000 1.990 234 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 234 L C -0.370 176.497 176.870 -0.004 0.000 1.072 234 L CA 1.894 56.736 54.840 0.004 0.000 0.755 234 L CB -2.329 39.732 42.059 0.003 0.000 0.889 234 L HN 0.176 nan 8.230 nan 0.000 0.432 235 P HA -0.132 nan 4.420 nan 0.000 0.216 235 P C 1.849 179.134 177.300 -0.025 0.000 1.150 235 P CA 1.384 64.475 63.100 -0.015 0.000 0.837 235 P CB 0.029 31.721 31.700 -0.013 0.000 0.786 236 V N 0.689 120.589 119.914 -0.022 0.000 2.229 236 V HA -0.216 3.904 4.120 -0.000 0.000 0.243 236 V C 2.871 178.943 176.094 -0.037 0.000 1.042 236 V CA 1.544 63.824 62.300 -0.035 0.000 1.000 236 V CB -1.435 30.375 31.823 -0.022 0.000 0.637 236 V HN -0.028 nan 8.190 nan 0.000 0.446 237 L N -0.176 121.039 121.223 -0.014 0.000 2.103 237 L HA -0.296 4.044 4.340 -0.000 0.000 0.215 237 L C 2.627 179.489 176.870 -0.013 0.000 1.080 237 L CA 1.895 56.734 54.840 -0.003 0.000 0.764 237 L CB -0.639 41.428 42.059 0.014 0.000 0.890 237 L HN 0.454 nan 8.230 nan 0.000 0.435 238 E N -0.460 119.729 120.200 -0.018 0.000 2.150 238 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 238 E C 2.132 178.711 176.600 -0.035 0.000 0.985 238 E CA 1.052 57.440 56.400 -0.020 0.000 0.814 238 E CB -0.087 29.603 29.700 -0.017 0.000 0.752 238 E HN 0.534 nan 8.360 nan 0.000 0.466 239 A N 0.550 123.335 122.820 -0.058 0.000 2.169 239 A HA -0.008 4.312 4.320 -0.000 0.000 0.212 239 A C 2.157 179.661 177.584 -0.133 0.000 1.153 239 A CA 0.391 52.373 52.037 -0.091 0.000 0.756 239 A CB 0.145 19.079 19.000 -0.110 0.000 0.813 239 A HN 0.088 nan 8.150 nan 0.000 0.471 240 V N -0.940 118.911 119.914 -0.105 0.000 3.052 240 V HA -0.006 4.114 4.120 -0.000 0.000 0.254 240 V C 2.760 178.850 176.094 -0.006 0.000 1.100 240 V CA 1.157 63.402 62.300 -0.093 0.000 1.112 240 V CB -0.813 30.988 31.823 -0.037 0.000 0.738 240 V HN 0.503 nan 8.190 nan 0.000 0.469 241 A N -0.141 122.677 122.820 -0.004 0.000 1.873 241 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 241 A C 1.450 179.042 177.584 0.013 0.000 1.186 241 A CA 0.958 53.004 52.037 0.014 0.000 0.616 241 A CB -0.315 18.689 19.000 0.008 0.000 0.823 241 A HN 0.484 nan 8.150 nan 0.000 0.442 242 K N -0.344 120.051 120.400 -0.008 0.000 2.484 242 K HA 0.280 4.600 4.320 -0.000 0.000 0.280 242 K C 0.442 177.047 176.600 0.008 0.000 1.013 242 K CA 0.521 56.803 56.287 -0.007 0.000 1.029 242 K CB -0.013 32.470 32.500 -0.028 0.000 0.902 242 K HN 0.939 nan 8.250 nan 0.000 0.481 243 A N 2.888 125.729 122.820 0.035 0.000 2.578 243 A HA -0.153 4.166 4.320 -0.000 0.000 0.298 243 A C 0.707 178.362 177.584 0.119 0.000 1.472 243 A CA 0.410 52.495 52.037 0.080 0.000 0.734 243 A CB -2.129 16.937 19.000 0.110 0.000 1.091 243 A HN 1.053 nan 8.150 nan 0.000 0.426 244 G N 0.428 109.276 108.800 0.081 0.000 2.415 244 G HA2 0.201 4.161 3.960 -0.000 0.000 0.295 244 G HA3 0.201 4.161 3.960 -0.000 0.000 0.295 244 G C 0.177 175.139 174.900 0.104 0.000 0.616 244 G CA 1.178 46.326 45.100 0.081 0.000 1.931 244 G HN 0.882 nan 8.290 nan 0.000 0.448 245 K N 2.615 123.114 120.400 0.166 0.000 2.468 245 K HA 0.372 4.692 4.320 -0.000 0.000 0.252 245 K C -2.228 174.488 176.600 0.193 0.000 0.932 245 K CA -1.901 54.482 56.287 0.160 0.000 0.794 245 K CB 2.966 35.560 32.500 0.156 0.000 1.241 245 K HN 0.104 nan 8.250 nan 0.000 0.428 246 P HA -0.005 nan 4.420 nan 0.000 0.273 246 P C -1.020 176.370 177.300 0.150 0.000 1.258 246 P CA -0.449 62.717 63.100 0.110 0.000 0.802 246 P CB 0.545 32.284 31.700 0.066 0.000 1.040 247 L N -0.061 121.231 121.223 0.116 0.000 2.408 247 L HA 0.544 4.884 4.340 -0.000 0.000 0.268 247 L C -1.428 175.479 176.870 0.062 0.000 0.986 247 L CA -0.996 53.913 54.840 0.117 0.000 0.820 247 L CB 1.546 43.668 42.059 0.105 0.000 1.303 247 L HN 0.143 nan 8.230 nan 0.000 0.411 248 L N 5.943 127.201 121.223 0.060 0.000 2.325 248 L HA 0.633 4.973 4.340 -0.000 0.000 0.281 248 L C -1.270 175.616 176.870 0.026 0.000 1.004 248 L CA -0.260 54.592 54.840 0.020 0.000 0.823 248 L CB 1.388 43.464 42.059 0.027 0.000 1.236 248 L HN 0.399 nan 8.230 nan 0.000 0.415 249 I N 7.079 127.645 120.570 -0.006 0.000 2.371 249 I HA 0.333 4.503 4.170 -0.000 0.000 0.282 249 I C -0.180 175.947 176.117 0.016 0.000 1.031 249 I CA -0.300 61.006 61.300 0.010 0.000 1.180 249 I CB 0.790 38.796 38.000 0.010 0.000 1.336 249 I HN 0.508 nan 8.210 nan 0.000 0.467 250 I N 5.409 125.998 120.570 0.032 0.000 2.331 250 I HA 0.729 4.899 4.170 -0.000 0.000 0.292 250 I C 0.430 176.551 176.117 0.007 0.000 0.998 250 I CA -0.199 61.120 61.300 0.032 0.000 1.267 250 I CB 1.536 39.547 38.000 0.018 0.000 1.386 250 I HN 0.688 nan 8.210 nan 0.000 0.476 251 A N 4.626 127.453 122.820 0.012 0.000 2.588 251 A HA 0.393 4.713 4.320 -0.000 0.000 0.290 251 A C 0.610 178.202 177.584 0.013 0.000 1.136 251 A CA -0.569 51.473 52.037 0.009 0.000 0.681 251 A CB 1.299 20.312 19.000 0.022 0.000 1.282 251 A HN 0.746 nan 8.150 nan 0.000 0.421 252 E N -0.339 119.870 120.200 0.015 0.000 2.049 252 E HA -0.177 4.172 4.350 -0.000 0.000 0.198 252 E C -0.344 176.281 176.600 0.041 0.000 1.007 252 E CA 1.791 58.207 56.400 0.027 0.000 0.809 252 E CB 0.117 29.834 29.700 0.028 0.000 0.749 252 E HN 0.562 nan 8.360 nan 0.000 0.450 253 D N -2.050 118.375 120.400 0.042 0.000 2.663 253 D HA 0.193 4.833 4.640 -0.000 0.000 0.233 253 D C -1.720 174.612 176.300 0.055 0.000 1.240 253 D CA -0.449 53.583 54.000 0.053 0.000 0.774 253 D CB 2.440 43.271 40.800 0.052 0.000 1.443 253 D HN -0.108 nan 8.370 nan 0.000 0.441 254 V N 2.153 122.109 119.914 0.070 0.000 2.467 254 V HA 0.416 4.536 4.120 -0.000 0.000 0.260 254 V C -0.218 175.932 176.094 0.093 0.000 0.963 254 V CA -0.610 61.737 62.300 0.077 0.000 0.856 254 V CB 1.182 33.057 31.823 0.086 0.000 1.087 254 V HN 0.440 nan 8.190 nan 0.000 0.467 255 E N 1.538 121.782 120.200 0.074 0.000 2.317 255 E HA 0.699 5.049 4.350 -0.000 0.000 0.270 255 E C 0.648 177.281 176.600 0.055 0.000 0.885 255 E CA 0.385 56.829 56.400 0.073 0.000 0.760 255 E CB 2.524 32.265 29.700 0.069 0.000 1.227 255 E HN 0.573 nan 8.360 nan 0.000 0.434 256 G N 3.784 112.615 108.800 0.051 0.000 3.146 256 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 256 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 256 G C 0.736 175.655 174.900 0.032 0.000 1.853 256 G CA 0.329 45.451 45.100 0.037 0.000 1.465 256 G HN 0.556 nan 8.290 nan 0.000 0.537 257 E N 0.877 121.096 120.200 0.031 0.000 2.228 257 E HA 0.357 4.707 4.350 -0.000 0.000 0.197 257 E C 2.755 179.374 176.600 0.030 0.000 0.909 257 E CA 1.115 57.529 56.400 0.024 0.000 0.911 257 E CB 0.128 29.839 29.700 0.018 0.000 0.887 257 E HN 0.763 nan 8.360 nan 0.000 0.481 258 A N 1.552 124.396 122.820 0.041 0.000 2.067 258 A HA -0.119 4.200 4.320 -0.000 0.000 0.219 258 A C 2.124 179.754 177.584 0.077 0.000 1.158 258 A CA 0.974 53.042 52.037 0.052 0.000 0.661 258 A CB -0.436 18.596 19.000 0.054 0.000 0.801 258 A HN 0.300 nan 8.150 nan 0.000 0.452 259 L N -0.354 120.920 121.223 0.085 0.000 2.023 259 L HA 0.045 4.385 4.340 -0.000 0.000 0.205 259 L C 2.626 179.532 176.870 0.059 0.000 1.073 259 L CA 2.246 57.159 54.840 0.121 0.000 0.745 259 L CB -0.819 41.316 42.059 0.126 0.000 0.900 259 L HN 0.271 nan 8.230 nan 0.000 0.435 260 A N -1.399 121.433 122.820 0.021 0.000 1.972 260 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 260 A C 2.175 179.735 177.584 -0.039 0.000 1.169 260 A CA 2.147 54.168 52.037 -0.027 0.000 0.635 260 A CB -1.207 17.779 19.000 -0.022 0.000 0.810 260 A HN 0.570 nan 8.150 nan 0.000 0.446 261 T N 0.173 114.723 114.554 -0.007 0.000 2.951 261 T HA 0.037 4.387 4.350 -0.000 0.000 0.268 261 T C 1.626 176.327 174.700 0.003 0.000 1.073 261 T CA 1.080 63.176 62.100 -0.006 0.000 1.134 261 T CB -0.232 68.641 68.868 0.009 0.000 0.884 261 T HN 0.368 nan 8.240 nan 0.000 0.479 262 L N 0.502 121.745 121.223 0.032 0.000 2.313 262 L HA 0.057 4.397 4.340 -0.000 0.000 0.214 262 L C 2.425 179.265 176.870 -0.049 0.000 1.119 262 L CA 0.368 55.253 54.840 0.074 0.000 0.809 262 L CB -0.318 41.879 42.059 0.230 0.000 0.933 262 L HN 0.149 nan 8.230 nan 0.000 0.449 263 V N -1.084 118.729 119.914 -0.167 0.000 2.446 263 V HA -0.164 3.955 4.120 -0.000 0.000 0.244 263 V C 2.365 178.337 176.094 -0.204 0.000 1.039 263 V CA 0.989 63.104 62.300 -0.308 0.000 1.045 263 V CB 0.258 31.893 31.823 -0.313 0.000 0.681 263 V HN 0.127 nan 8.190 nan 0.000 0.459 264 V N 0.882 120.711 119.914 -0.141 0.000 2.287 264 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 264 V C 2.327 178.373 176.094 -0.080 0.000 1.053 264 V CA 2.457 64.689 62.300 -0.112 0.000 1.027 264 V CB -0.856 30.919 31.823 -0.080 0.000 0.646 264 V HN 0.564 nan 8.190 nan 0.000 0.447 265 N N 0.378 119.047 118.700 -0.051 0.000 2.039 265 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 265 N C 2.064 177.564 175.510 -0.017 0.000 1.044 265 N CA 2.284 55.321 53.050 -0.021 0.000 0.847 265 N CB -0.973 37.519 38.487 0.007 0.000 1.030 265 N HN 0.674 nan 8.380 nan 0.000 0.422 266 T N -0.897 113.652 114.554 -0.010 0.000 2.720 266 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 266 T C 1.957 176.647 174.700 -0.016 0.000 1.037 266 T CA 1.181 63.289 62.100 0.014 0.000 1.144 266 T CB -0.358 68.542 68.868 0.053 0.000 0.864 266 T HN 0.123 nan 8.240 nan 0.000 0.444 267 M N 0.354 119.917 119.600 -0.063 0.000 2.254 267 M HA 0.076 4.556 4.480 -0.000 0.000 0.265 267 M C 2.730 178.997 176.300 -0.055 0.000 1.066 267 M CA 1.104 56.364 55.300 -0.067 0.000 1.123 267 M CB -0.143 32.382 32.600 -0.125 0.000 1.388 267 M HN 0.189 nan 8.290 nan 0.000 0.425 268 R N -0.556 119.911 120.500 -0.054 0.000 2.115 268 R HA -0.108 4.231 4.340 -0.000 0.000 0.230 268 R C 1.266 177.551 176.300 -0.025 0.000 1.111 268 R CA 1.579 57.654 56.100 -0.041 0.000 0.976 268 R CB 0.071 30.348 30.300 -0.039 0.000 0.870 268 R HN 0.597 nan 8.270 nan 0.000 0.445 269 G N -0.398 108.393 108.800 -0.015 0.000 2.380 269 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.197 269 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.197 269 G C 0.166 175.070 174.900 0.008 0.000 1.001 269 G CA -0.111 44.988 45.100 -0.003 0.000 0.668 269 G HN 0.184 nan 8.290 nan 0.000 0.483 270 I N 2.812 123.386 120.570 0.006 0.000 2.471 270 I HA 0.374 4.543 4.170 -0.000 0.000 0.294 270 I C 0.823 176.957 176.117 0.028 0.000 1.123 270 I CA -0.228 61.080 61.300 0.013 0.000 1.336 270 I CB 0.252 38.256 38.000 0.007 0.000 1.430 270 I HN 0.186 nan 8.210 nan 0.000 0.533 271 V N 4.908 124.843 119.914 0.036 0.000 3.605 271 V HA -0.243 3.877 4.120 -0.000 0.000 0.507 271 V C 0.366 176.502 176.094 0.070 0.000 0.682 271 V CA 0.230 62.562 62.300 0.053 0.000 2.051 271 V CB -1.119 30.736 31.823 0.054 0.000 2.472 271 V HN 0.806 nan 8.190 nan 0.000 0.509 272 K N 3.866 124.311 120.400 0.076 0.000 2.349 272 K HA 0.588 4.907 4.320 -0.000 0.000 0.289 272 K C -0.217 176.452 176.600 0.116 0.000 1.064 272 K CA -0.362 55.981 56.287 0.095 0.000 0.947 272 K CB 1.200 33.745 32.500 0.076 0.000 1.007 272 K HN 0.529 nan 8.250 nan 0.000 0.478 273 V N 0.892 120.907 119.914 0.169 0.000 3.102 273 V HA 0.820 4.940 4.120 -0.000 0.000 0.312 273 V C -0.757 175.430 176.094 0.154 0.000 1.135 273 V CA -1.196 61.202 62.300 0.164 0.000 1.022 273 V CB 1.972 33.911 31.823 0.193 0.000 1.056 273 V HN 0.843 nan 8.190 nan 0.000 0.436 274 A N 1.161 123.906 122.820 -0.125 0.000 2.549 274 A HA 0.998 5.318 4.320 -0.000 0.000 0.297 274 A C -0.743 176.469 177.584 -0.621 0.000 1.061 274 A CA -0.188 51.437 52.037 -0.687 0.000 0.690 274 A CB 1.896 20.672 19.000 -0.372 0.000 1.287 274 A HN 1.828 nan 8.150 nan 0.000 0.402 275 A N 0.746 122.987 122.820 -0.965 0.000 2.355 275 A HA 0.821 5.141 4.320 -0.000 0.000 0.317 275 A C -0.589 176.887 177.584 -0.180 0.000 1.094 275 A CA -0.212 51.617 52.037 -0.347 0.000 0.764 275 A CB 1.240 20.172 19.000 -0.113 0.000 1.230 275 A HN 2.208 nan 8.150 nan 0.000 0.448 276 V N -0.261 119.634 119.914 -0.032 0.000 2.733 276 V HA 0.522 4.642 4.120 -0.000 0.000 0.306 276 V C -0.486 175.668 176.094 0.100 0.000 1.084 276 V CA -1.209 61.126 62.300 0.058 0.000 0.905 276 V CB 1.263 33.148 31.823 0.103 0.000 1.010 276 V HN 0.842 nan 8.190 nan 0.000 0.424 277 K N 2.761 123.228 120.400 0.111 0.000 2.489 277 K HA 0.531 4.851 4.320 -0.000 0.000 0.278 277 K C 0.738 177.404 176.600 0.110 0.000 1.000 277 K CA 0.518 56.864 56.287 0.099 0.000 1.012 277 K CB 1.007 33.565 32.500 0.097 0.000 0.903 277 K HN 1.117 nan 8.250 nan 0.000 0.485 278 A N 5.124 127.963 122.820 0.031 0.000 2.448 278 A HA 0.183 4.502 4.320 -0.000 0.000 0.239 278 A C -2.014 175.535 177.584 -0.057 0.000 1.080 278 A CA -0.982 51.007 52.037 -0.080 0.000 0.779 278 A CB -0.360 18.587 19.000 -0.089 0.000 1.026 278 A HN 0.491 nan 8.150 nan 0.000 0.499 279 P HA 0.402 nan 4.420 nan 0.000 0.275 279 P C 0.815 178.102 177.300 -0.022 0.000 1.228 279 P CA 1.265 64.329 63.100 -0.060 0.000 0.786 279 P CB 0.744 32.326 31.700 -0.195 0.000 0.927 280 G N 2.271 111.109 108.800 0.062 0.000 2.564 280 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.273 280 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.273 280 G C -0.713 174.303 174.900 0.192 0.000 1.242 280 G CA 0.416 45.558 45.100 0.071 0.000 0.951 280 G HN 0.792 nan 8.290 nan 0.000 0.564 281 F N -2.912 117.047 119.950 0.015 0.000 2.688 281 F HA 0.648 5.175 4.527 -0.000 0.000 0.308 281 F C 0.941 176.749 175.800 0.014 0.000 1.117 281 F CA 0.339 58.347 58.000 0.013 0.000 0.976 281 F CB 0.932 39.945 39.000 0.021 0.000 1.291 281 F HN 2.394 nan 8.300 nan 0.000 0.439 282 G N 2.011 110.919 108.800 0.180 0.000 2.574 282 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.301 282 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.301 282 G C 0.402 175.303 174.900 0.002 0.000 1.166 282 G CA 0.842 46.010 45.100 0.114 0.000 0.971 282 G HN 0.840 nan 8.290 nan 0.000 0.542 283 D N 1.157 121.540 120.400 -0.028 0.000 2.162 283 D HA 0.001 4.641 4.640 -0.000 0.000 0.203 283 D C 2.497 178.747 176.300 -0.084 0.000 0.967 283 D CA 1.527 55.502 54.000 -0.041 0.000 0.840 283 D CB -0.300 40.487 40.800 -0.021 0.000 0.972 283 D HN 0.756 nan 8.370 nan 0.000 0.482 284 R N 0.709 121.115 120.500 -0.157 0.000 2.236 284 R HA 0.116 4.456 4.340 -0.000 0.000 0.208 284 R C 2.107 178.311 176.300 -0.160 0.000 1.036 284 R CA 0.332 56.328 56.100 -0.174 0.000 1.001 284 R CB -0.079 30.076 30.300 -0.241 0.000 0.896 284 R HN -0.006 nan 8.270 nan 0.000 0.464 285 R N 1.796 122.208 120.500 -0.148 0.000 2.056 285 R HA -0.048 4.292 4.340 -0.000 0.000 0.227 285 R C 1.685 177.931 176.300 -0.091 0.000 1.149 285 R CA 1.635 57.671 56.100 -0.108 0.000 0.937 285 R CB -0.205 30.061 30.300 -0.057 0.000 0.835 285 R HN 0.177 nan 8.270 nan 0.000 0.430 286 K N -0.138 120.223 120.400 -0.064 0.000 2.163 286 K HA -0.241 4.079 4.320 -0.000 0.000 0.210 286 K C 1.962 178.527 176.600 -0.059 0.000 1.048 286 K CA 1.958 58.214 56.287 -0.051 0.000 0.928 286 K CB -0.172 32.307 32.500 -0.035 0.000 0.716 286 K HN 0.317 nan 8.250 nan 0.000 0.459 287 A N 0.802 123.582 122.820 -0.068 0.000 1.854 287 A HA -0.119 4.200 4.320 -0.000 0.000 0.214 287 A C 2.087 179.624 177.584 -0.078 0.000 1.192 287 A CA 1.274 53.272 52.037 -0.066 0.000 0.611 287 A CB -0.395 18.565 19.000 -0.067 0.000 0.832 287 A HN 0.175 nan 8.150 nan 0.000 0.442 288 M N -0.836 118.704 119.600 -0.099 0.000 2.144 288 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 288 M C 2.267 178.485 176.300 -0.137 0.000 1.067 288 M CA 1.532 56.760 55.300 -0.120 0.000 1.095 288 M CB -0.488 32.023 32.600 -0.149 0.000 1.365 288 M HN 0.481 nan 8.290 nan 0.000 0.406 289 L N -0.154 120.988 121.223 -0.135 0.000 2.056 289 L HA -0.240 4.100 4.340 -0.000 0.000 0.207 289 L C 2.565 179.383 176.870 -0.086 0.000 1.078 289 L CA 1.400 56.161 54.840 -0.132 0.000 0.749 289 L CB -0.222 41.772 42.059 -0.108 0.000 0.901 289 L HN 0.268 nan 8.230 nan 0.000 0.433 290 Q N -0.170 119.591 119.800 -0.065 0.000 2.291 290 Q HA -0.204 4.136 4.340 -0.000 0.000 0.205 290 Q C 1.484 177.460 176.000 -0.041 0.000 0.970 290 Q CA 1.609 57.385 55.803 -0.044 0.000 0.876 290 Q CB -0.009 28.707 28.738 -0.037 0.000 0.935 290 Q HN 0.469 nan 8.270 nan 0.000 0.455 291 D N -0.513 119.856 120.400 -0.052 0.000 2.097 291 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 291 D C 1.644 177.924 176.300 -0.034 0.000 0.984 291 D CA 1.383 55.358 54.000 -0.042 0.000 0.826 291 D CB -0.122 40.649 40.800 -0.049 0.000 0.973 291 D HN 0.356 nan 8.370 nan 0.000 0.460 292 I N 1.060 121.600 120.570 -0.050 0.000 2.163 292 I HA -0.270 3.899 4.170 -0.000 0.000 0.243 292 I C 2.460 178.569 176.117 -0.014 0.000 1.085 292 I CA 1.168 62.450 61.300 -0.030 0.000 1.347 292 I CB -0.472 37.491 38.000 -0.063 0.000 1.044 292 I HN -0.072 nan 8.210 nan 0.000 0.408 293 A N 1.112 123.918 122.820 -0.023 0.000 1.917 293 A HA -0.237 4.082 4.320 -0.000 0.000 0.219 293 A C 2.427 180.010 177.584 -0.002 0.000 1.182 293 A CA 2.808 54.839 52.037 -0.010 0.000 0.633 293 A CB -1.271 17.719 19.000 -0.016 0.000 0.819 293 A HN 0.510 nan 8.150 nan 0.000 0.448 294 T N -0.041 114.509 114.554 -0.007 0.000 2.851 294 T HA -0.022 4.328 4.350 -0.000 0.000 0.262 294 T C 1.846 176.546 174.700 0.001 0.000 1.043 294 T CA 0.989 63.087 62.100 -0.003 0.000 1.140 294 T CB -0.330 68.534 68.868 -0.007 0.000 0.872 294 T HN 0.291 nan 8.240 nan 0.000 0.446 295 L N 2.470 123.694 121.223 0.000 0.000 2.131 295 L HA -0.072 4.267 4.340 -0.000 0.000 0.210 295 L C 2.199 179.075 176.870 0.009 0.000 1.092 295 L CA 2.266 57.108 54.840 0.005 0.000 0.759 295 L CB -1.244 40.819 42.059 0.007 0.000 0.903 295 L HN 0.489 nan 8.230 nan 0.000 0.435 296 T N -4.589 109.973 114.554 0.013 0.000 3.060 296 T HA 0.267 4.617 4.350 -0.000 0.000 0.249 296 T C 1.400 176.112 174.700 0.021 0.000 1.079 296 T CA 0.497 62.608 62.100 0.018 0.000 1.013 296 T CB 0.274 69.159 68.868 0.027 0.000 0.975 296 T HN 0.508 nan 8.240 nan 0.000 0.518 297 G N 0.653 109.464 108.800 0.018 0.000 2.184 297 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.264 297 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.264 297 G C 0.514 175.432 174.900 0.030 0.000 0.975 297 G CA -0.033 45.080 45.100 0.022 0.000 0.642 297 G HN 1.014 nan 8.290 nan 0.000 0.536 298 G N -1.159 107.660 108.800 0.031 0.000 2.510 298 G HA2 0.701 4.661 3.960 -0.000 0.000 0.280 298 G HA3 0.701 4.661 3.960 -0.000 0.000 0.280 298 G C -0.105 174.806 174.900 0.019 0.000 1.386 298 G CA 0.557 45.678 45.100 0.035 0.000 1.047 298 G HN 0.880 nan 8.290 nan 0.000 0.527 299 T N -0.855 113.708 114.554 0.015 0.000 2.900 299 T HA 0.494 4.843 4.350 -0.000 0.000 0.295 299 T C -0.244 174.457 174.700 0.002 0.000 1.044 299 T CA -0.496 61.608 62.100 0.006 0.000 0.995 299 T CB 1.910 70.781 68.868 0.005 0.000 1.072 299 T HN 0.364 nan 8.240 nan 0.000 0.473 300 V N 2.720 122.631 119.914 -0.005 0.000 2.686 300 V HA 0.385 4.505 4.120 -0.000 0.000 0.295 300 V C 0.011 176.102 176.094 -0.005 0.000 1.055 300 V CA -0.480 61.815 62.300 -0.009 0.000 1.050 300 V CB 0.592 32.405 31.823 -0.016 0.000 0.984 300 V HN 0.751 nan 8.190 nan 0.000 0.482 301 I N 4.192 124.760 120.570 -0.004 0.000 2.411 301 I HA 0.446 4.616 4.170 -0.000 0.000 0.284 301 I C -0.090 176.026 176.117 -0.002 0.000 1.012 301 I CA 0.097 61.396 61.300 -0.002 0.000 1.119 301 I CB 1.687 39.687 38.000 0.000 0.000 1.261 301 I HN 0.769 nan 8.210 nan 0.000 0.448 302 S N 2.855 118.554 115.700 -0.002 0.000 2.536 302 S HA 0.407 4.877 4.470 -0.000 0.000 0.287 302 S C 0.322 174.922 174.600 0.001 0.000 1.101 302 S CA -0.855 57.344 58.200 -0.001 0.000 0.950 302 S CB 1.948 65.146 63.200 -0.003 0.000 1.056 302 S HN 0.619 nan 8.310 nan 0.000 0.481 303 E N 0.888 121.090 120.200 0.003 0.000 2.463 303 E HA -0.119 4.231 4.350 -0.000 0.000 0.201 303 E C 1.213 177.815 176.600 0.003 0.000 1.045 303 E CA 0.713 57.115 56.400 0.004 0.000 0.872 303 E CB 0.018 29.722 29.700 0.006 0.000 0.797 303 E HN 0.710 nan 8.360 nan 0.000 0.538 304 E N 0.221 120.422 120.200 0.002 0.000 2.072 304 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 304 E C 1.977 178.578 176.600 0.001 0.000 0.982 304 E CA 0.798 57.200 56.400 0.002 0.000 0.803 304 E CB 0.111 29.812 29.700 0.001 0.000 0.755 304 E HN 0.358 nan 8.360 nan 0.000 0.453 305 I N -1.103 119.466 120.570 -0.000 0.000 2.703 305 I HA 0.054 4.224 4.170 -0.000 0.000 0.259 305 I C 1.728 177.845 176.117 -0.000 0.000 1.151 305 I CA 0.862 62.162 61.300 -0.001 0.000 1.470 305 I CB 0.413 38.412 38.000 -0.002 0.000 1.112 305 I HN 0.235 nan 8.210 nan 0.000 0.437 306 G N 0.650 109.450 108.800 0.000 0.000 2.485 306 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.181 306 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.181 306 G C 0.342 175.242 174.900 0.000 0.000 0.999 306 G CA -0.603 44.497 45.100 0.000 0.000 0.721 306 G HN 0.132 nan 8.290 nan 0.000 0.486 307 M N 2.201 121.801 119.600 -0.001 0.000 2.513 307 M HA 0.369 4.849 4.480 -0.000 0.000 0.341 307 M C 0.235 176.535 176.300 -0.000 0.000 1.689 307 M CA 0.897 56.196 55.300 -0.001 0.000 1.202 307 M CB 0.170 32.769 32.600 -0.002 0.000 1.996 307 M HN 0.151 nan 8.290 nan 0.000 0.458 308 E N 2.217 122.416 120.200 -0.000 0.000 2.212 308 E HA 0.293 4.642 4.350 -0.000 0.000 0.270 308 E C 0.472 177.072 176.600 -0.000 0.000 0.956 308 E CA -0.582 55.818 56.400 0.001 0.000 0.825 308 E CB 1.797 31.498 29.700 0.001 0.000 1.167 308 E HN 0.699 nan 8.360 nan 0.000 0.400 309 L N 1.837 123.061 121.223 0.001 0.000 2.191 309 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 309 L C 1.878 178.747 176.870 -0.003 0.000 1.103 309 L CA 1.056 55.896 54.840 0.000 0.000 0.769 309 L CB -0.294 41.767 42.059 0.004 0.000 0.908 309 L HN 0.591 nan 8.230 nan 0.000 0.438 310 E N 0.728 120.927 120.200 -0.002 0.000 2.070 310 E HA -0.220 4.129 4.350 -0.000 0.000 0.197 310 E C 1.231 177.827 176.600 -0.007 0.000 1.004 310 E CA 1.411 57.809 56.400 -0.004 0.000 0.805 310 E CB -0.022 29.677 29.700 -0.002 0.000 0.744 310 E HN 0.329 nan 8.360 nan 0.000 0.451 311 K N -0.162 120.234 120.400 -0.006 0.000 2.827 311 K HA 0.355 4.675 4.320 -0.000 0.000 0.222 311 K C -0.873 175.721 176.600 -0.010 0.000 1.114 311 K CA -0.171 56.111 56.287 -0.008 0.000 1.206 311 K CB 1.057 33.553 32.500 -0.006 0.000 1.035 311 K HN -0.022 nan 8.250 nan 0.000 0.464 312 A N 1.604 124.416 122.820 -0.013 0.000 2.394 312 A HA 0.231 4.551 4.320 -0.000 0.000 0.333 312 A C 0.548 178.116 177.584 -0.026 0.000 1.397 312 A CA -0.691 51.337 52.037 -0.016 0.000 0.884 312 A CB -0.035 18.958 19.000 -0.012 0.000 1.147 312 A HN 0.339 nan 8.150 nan 0.000 0.505 313 T N -0.001 114.536 114.554 -0.028 0.000 2.773 313 T HA 0.331 4.681 4.350 -0.000 0.000 0.337 313 T C 1.002 175.670 174.700 -0.053 0.000 1.086 313 T CA -0.041 62.034 62.100 -0.041 0.000 0.998 313 T CB 0.050 68.899 68.868 -0.032 0.000 1.281 313 T HN 0.228 nan 8.240 nan 0.000 0.525 314 L N -0.056 121.124 121.223 -0.072 0.000 2.492 314 L HA 0.257 4.597 4.340 -0.000 0.000 0.223 314 L C 2.779 179.632 176.870 -0.028 0.000 1.132 314 L CA 0.795 55.575 54.840 -0.099 0.000 0.850 314 L CB -0.780 41.168 42.059 -0.184 0.000 0.966 314 L HN 0.751 nan 8.230 nan 0.000 0.454 315 E N 0.488 120.683 120.200 -0.008 0.000 2.204 315 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 315 E C 1.011 177.623 176.600 0.020 0.000 0.989 315 E CA 1.005 57.414 56.400 0.016 0.000 0.824 315 E CB 0.165 29.871 29.700 0.010 0.000 0.756 315 E HN 0.540 nan 8.360 nan 0.000 0.477 316 D N 0.269 120.673 120.400 0.008 0.000 2.264 316 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 316 D C 0.280 176.595 176.300 0.025 0.000 0.966 316 D CA 0.509 54.515 54.000 0.011 0.000 0.864 316 D CB 0.076 40.876 40.800 0.001 0.000 0.933 316 D HN 0.123 nan 8.370 nan 0.000 0.499 317 L N 0.903 122.147 121.223 0.036 0.000 2.305 317 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 317 L C 1.178 178.128 176.870 0.134 0.000 1.085 317 L CA -0.204 54.685 54.840 0.081 0.000 0.813 317 L CB 1.591 43.689 42.059 0.066 0.000 1.157 317 L HN -0.187 nan 8.230 nan 0.000 0.436 318 G N 2.386 111.260 108.800 0.123 0.000 2.507 318 G HA2 0.500 4.460 3.960 -0.000 0.000 0.271 318 G HA3 0.500 4.460 3.960 -0.000 0.000 0.271 318 G C -0.769 174.202 174.900 0.118 0.000 1.189 318 G CA -0.436 44.725 45.100 0.102 0.000 0.859 318 G HN 0.570 nan 8.290 nan 0.000 0.542 319 Q N -0.594 119.235 119.800 0.050 0.000 2.333 319 Q HA 0.606 4.946 4.340 -0.000 0.000 0.267 319 Q C -0.510 175.455 176.000 -0.059 0.000 1.012 319 Q CA -0.658 55.112 55.803 -0.054 0.000 0.824 319 Q CB 2.365 31.057 28.738 -0.077 0.000 1.290 319 Q HN 0.696 nan 8.270 nan 0.000 0.449 320 A N 1.607 124.371 122.820 -0.094 0.000 2.454 320 A HA 0.368 4.688 4.320 -0.000 0.000 0.302 320 A C 0.043 177.574 177.584 -0.088 0.000 1.079 320 A CA -0.651 51.347 52.037 -0.064 0.000 0.731 320 A CB 1.589 20.570 19.000 -0.032 0.000 1.299 320 A HN 0.821 nan 8.150 nan 0.000 0.413 321 K N -0.261 120.101 120.400 -0.063 0.000 2.155 321 K HA 0.048 4.368 4.320 -0.000 0.000 0.203 321 K C 0.522 177.088 176.600 -0.056 0.000 1.052 321 K CA 1.224 57.473 56.287 -0.063 0.000 0.948 321 K CB 0.053 32.527 32.500 -0.044 0.000 0.728 321 K HN 0.620 nan 8.250 nan 0.000 0.448 322 R N -0.296 120.178 120.500 -0.044 0.000 2.633 322 R HA 0.149 4.489 4.340 -0.000 0.000 0.255 322 R C -1.907 174.376 176.300 -0.028 0.000 1.106 322 R CA -0.576 55.503 56.100 -0.035 0.000 0.959 322 R CB 1.799 32.082 30.300 -0.028 0.000 1.259 322 R HN 0.004 nan 8.270 nan 0.000 0.453 323 V N 0.457 120.356 119.914 -0.025 0.000 2.823 323 V HA 0.898 5.017 4.120 -0.000 0.000 0.312 323 V C -1.124 174.955 176.094 -0.024 0.000 1.072 323 V CA -0.636 61.650 62.300 -0.025 0.000 0.937 323 V CB 2.197 34.009 31.823 -0.018 0.000 1.013 323 V HN 0.402 nan 8.190 nan 0.000 0.430 324 V N 4.950 124.841 119.914 -0.038 0.000 2.686 324 V HA 0.577 4.697 4.120 -0.000 0.000 0.306 324 V C -0.566 175.495 176.094 -0.054 0.000 1.065 324 V CA -0.288 61.994 62.300 -0.031 0.000 0.894 324 V CB 1.849 33.656 31.823 -0.027 0.000 1.004 324 V HN 0.871 nan 8.190 nan 0.000 0.424 325 I N 4.159 124.717 120.570 -0.020 0.000 2.448 325 I HA 0.398 4.567 4.170 -0.000 0.000 0.281 325 I C 0.159 176.283 176.117 0.013 0.000 1.027 325 I CA -0.384 60.898 61.300 -0.030 0.000 1.111 325 I CB 1.615 39.621 38.000 0.011 0.000 1.236 325 I HN 0.563 nan 8.210 nan 0.000 0.452 326 N N 4.205 122.861 118.700 -0.073 0.000 2.255 326 N HA 0.068 4.808 4.740 -0.000 0.000 0.253 326 N C 1.231 176.569 175.510 -0.285 0.000 1.313 326 N CA -0.100 52.897 53.050 -0.088 0.000 0.912 326 N CB 0.611 39.036 38.487 -0.103 0.000 1.145 326 N HN 0.485 nan 8.380 nan 0.000 0.511 327 K N -0.012 120.188 120.400 -0.332 0.000 2.148 327 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 327 K C -0.247 175.999 176.600 -0.591 0.000 1.050 327 K CA 1.401 57.251 56.287 -0.729 0.000 0.942 327 K CB 0.055 32.405 32.500 -0.249 0.000 0.724 327 K HN 0.681 nan 8.250 nan 0.000 0.446 328 D N -0.830 119.385 120.400 -0.308 0.000 2.503 328 D HA 0.042 4.682 4.640 -0.000 0.000 0.218 328 D C -0.445 175.757 176.300 -0.164 0.000 1.183 328 D CA -0.157 53.725 54.000 -0.197 0.000 0.827 328 D CB 0.752 41.487 40.800 -0.108 0.000 1.034 328 D HN -0.072 nan 8.370 nan 0.000 0.510 329 T N -0.250 114.182 114.554 -0.203 0.000 2.916 329 T HA 0.530 4.880 4.350 -0.000 0.000 0.305 329 T C -0.643 173.877 174.700 -0.299 0.000 1.119 329 T CA -0.511 61.456 62.100 -0.223 0.000 1.008 329 T CB 2.272 71.040 68.868 -0.166 0.000 1.129 329 T HN -0.189 nan 8.240 nan 0.000 0.480 330 T N 1.827 116.074 114.554 -0.512 0.000 2.841 330 T HA 0.751 5.100 4.350 -0.000 0.000 0.283 330 T C -0.514 173.835 174.700 -0.585 0.000 1.000 330 T CA -0.642 61.109 62.100 -0.582 0.000 0.977 330 T CB 1.829 70.195 68.868 -0.835 0.000 0.979 330 T HN 0.761 nan 8.240 nan 0.000 0.446 331 T N 2.558 116.929 114.554 -0.305 0.000 2.909 331 T HA 0.755 5.105 4.350 -0.000 0.000 0.299 331 T C -1.332 173.314 174.700 -0.090 0.000 1.073 331 T CA -0.622 61.367 62.100 -0.186 0.000 0.999 331 T CB 0.636 69.425 68.868 -0.132 0.000 1.098 331 T HN 0.486 nan 8.240 nan 0.000 0.477 332 I N 4.023 124.570 120.570 -0.038 0.000 2.603 332 I HA 0.585 4.754 4.170 -0.000 0.000 0.300 332 I C -0.655 175.455 176.117 -0.011 0.000 1.017 332 I CA -1.088 60.208 61.300 -0.007 0.000 1.098 332 I CB 2.178 40.199 38.000 0.035 0.000 1.279 332 I HN 0.534 nan 8.210 nan 0.000 0.437 333 I N 3.813 124.375 120.570 -0.015 0.000 2.466 333 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 333 I C -0.820 175.287 176.117 -0.017 0.000 1.026 333 I CA -0.397 60.893 61.300 -0.016 0.000 1.078 333 I CB 1.686 39.673 38.000 -0.020 0.000 1.249 333 I HN 0.648 nan 8.210 nan 0.000 0.429 334 D N 4.837 125.229 120.400 -0.014 0.000 3.082 334 D HA -0.130 4.510 4.640 -0.000 0.000 0.234 334 D C 0.158 176.447 176.300 -0.019 0.000 1.159 334 D CA 1.027 55.018 54.000 -0.016 0.000 0.875 334 D CB -0.155 40.633 40.800 -0.019 0.000 0.946 334 D HN 0.766 nan 8.370 nan 0.000 0.411 335 G N 0.574 109.367 108.800 -0.011 0.000 2.507 335 G HA2 0.514 4.473 3.960 -0.000 0.000 0.271 335 G HA3 0.514 4.473 3.960 -0.000 0.000 0.271 335 G C 0.286 175.180 174.900 -0.010 0.000 1.189 335 G CA -0.393 44.700 45.100 -0.011 0.000 0.859 335 G HN 0.401 nan 8.290 nan 0.000 0.542 336 V N 0.185 120.094 119.914 -0.010 0.000 2.732 336 V HA 0.746 4.866 4.120 -0.000 0.000 0.297 336 V C 0.860 176.956 176.094 0.003 0.000 1.060 336 V CA 0.686 62.984 62.300 -0.004 0.000 1.038 336 V CB 0.703 32.525 31.823 -0.001 0.000 1.003 336 V HN 1.496 nan 8.190 nan 0.000 0.481 337 G N 2.338 111.140 108.800 0.003 0.000 2.026 337 G HA2 0.126 4.086 3.960 -0.000 0.000 0.208 337 G HA3 0.126 4.086 3.960 -0.000 0.000 0.208 337 G C -0.951 173.950 174.900 0.001 0.000 1.640 337 G CA -0.919 44.183 45.100 0.004 0.000 0.946 337 G HN 0.512 nan 8.290 nan 0.000 0.709 338 E N 1.873 122.074 120.200 0.002 0.000 2.467 338 E HA 0.004 4.353 4.350 -0.000 0.000 0.264 338 E C 1.495 178.095 176.600 -0.001 0.000 1.020 338 E CA -0.098 56.302 56.400 0.000 0.000 0.945 338 E CB 1.038 30.739 29.700 0.001 0.000 0.942 338 E HN 0.667 nan 8.360 nan 0.000 0.449 339 E N 1.886 122.085 120.200 -0.002 0.000 2.113 339 E HA -0.327 4.022 4.350 -0.000 0.000 0.210 339 E C 1.704 178.302 176.600 -0.003 0.000 1.040 339 E CA 2.132 58.530 56.400 -0.003 0.000 0.847 339 E CB -0.167 29.531 29.700 -0.003 0.000 0.755 339 E HN 0.624 nan 8.360 nan 0.000 0.459 340 A N 1.412 124.230 122.820 -0.003 0.000 1.877 340 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 340 A C 2.481 180.063 177.584 -0.004 0.000 1.186 340 A CA 2.346 54.381 52.037 -0.003 0.000 0.620 340 A CB -0.751 18.247 19.000 -0.003 0.000 0.822 340 A HN 0.323 nan 8.150 nan 0.000 0.443 341 A N -0.057 122.762 122.820 -0.003 0.000 1.917 341 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 341 A C 2.111 179.692 177.584 -0.005 0.000 1.182 341 A CA 1.856 53.892 52.037 -0.003 0.000 0.633 341 A CB -0.689 18.310 19.000 -0.001 0.000 0.819 341 A HN 0.571 nan 8.150 nan 0.000 0.448 342 I N -1.694 118.873 120.570 -0.004 0.000 2.206 342 I HA -0.164 4.006 4.170 -0.000 0.000 0.239 342 I C 2.563 178.676 176.117 -0.007 0.000 1.078 342 I CA 1.433 62.730 61.300 -0.006 0.000 1.367 342 I CB -0.500 37.498 38.000 -0.004 0.000 1.078 342 I HN 0.266 nan 8.210 nan 0.000 0.413 343 Q N 1.683 121.479 119.800 -0.007 0.000 2.291 343 Q HA -0.102 4.238 4.340 -0.000 0.000 0.206 343 Q C 1.977 177.972 176.000 -0.008 0.000 0.976 343 Q CA 1.728 57.526 55.803 -0.007 0.000 0.875 343 Q CB -0.637 28.098 28.738 -0.007 0.000 0.927 343 Q HN 0.518 nan 8.270 nan 0.000 0.450 344 G N -0.273 108.522 108.800 -0.008 0.000 2.394 344 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.214 344 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.214 344 G C 1.558 176.452 174.900 -0.010 0.000 1.176 344 G CA 0.637 45.733 45.100 -0.008 0.000 0.786 344 G HN 0.331 nan 8.290 nan 0.000 0.533 345 R N 0.283 120.777 120.500 -0.011 0.000 2.115 345 R HA 0.032 4.372 4.340 -0.000 0.000 0.230 345 R C 2.537 178.827 176.300 -0.016 0.000 1.111 345 R CA 1.126 57.218 56.100 -0.014 0.000 0.976 345 R CB -0.767 29.524 30.300 -0.015 0.000 0.870 345 R HN 0.222 nan 8.270 nan 0.000 0.445 346 V N 0.607 120.513 119.914 -0.014 0.000 2.233 346 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 346 V C 2.307 178.392 176.094 -0.016 0.000 1.050 346 V CA 2.154 64.445 62.300 -0.015 0.000 1.010 346 V CB -1.030 30.785 31.823 -0.013 0.000 0.637 346 V HN 0.541 nan 8.190 nan 0.000 0.444 347 A N -1.206 121.606 122.820 -0.013 0.000 2.019 347 A HA -0.260 4.059 4.320 -0.000 0.000 0.219 347 A C 2.099 179.675 177.584 -0.014 0.000 1.164 347 A CA 1.636 53.665 52.037 -0.013 0.000 0.644 347 A CB -0.506 18.488 19.000 -0.010 0.000 0.805 347 A HN 0.660 nan 8.150 nan 0.000 0.449 348 Q N -1.053 118.738 119.800 -0.015 0.000 2.488 348 Q HA 0.067 4.407 4.340 -0.000 0.000 0.211 348 Q C 1.235 177.223 176.000 -0.020 0.000 0.967 348 Q CA 0.744 56.537 55.803 -0.016 0.000 0.926 348 Q CB -0.094 28.635 28.738 -0.016 0.000 0.992 348 Q HN 0.806 nan 8.270 nan 0.000 0.506 349 I N -1.331 119.226 120.570 -0.022 0.000 3.790 349 I HA -0.030 4.139 4.170 -0.000 0.000 0.305 349 I C 1.878 177.981 176.117 -0.025 0.000 1.253 349 I CA 0.021 61.305 61.300 -0.026 0.000 1.355 349 I CB 0.153 38.134 38.000 -0.031 0.000 1.137 349 I HN -0.016 nan 8.210 nan 0.000 0.435 350 R N 0.780 121.267 120.500 -0.020 0.000 2.115 350 R HA -0.098 4.242 4.340 -0.000 0.000 0.230 350 R C 2.112 178.403 176.300 -0.016 0.000 1.111 350 R CA 0.955 57.044 56.100 -0.018 0.000 0.976 350 R CB -0.160 30.131 30.300 -0.015 0.000 0.870 350 R HN 0.378 nan 8.270 nan 0.000 0.445 351 Q N 0.410 120.201 119.800 -0.015 0.000 2.119 351 Q HA -0.130 4.210 4.340 -0.000 0.000 0.201 351 Q C 2.009 178.001 176.000 -0.014 0.000 0.972 351 Q CA 1.181 56.976 55.803 -0.013 0.000 0.847 351 Q CB 0.081 28.812 28.738 -0.012 0.000 0.903 351 Q HN 0.393 nan 8.270 nan 0.000 0.433 352 Q N 0.086 119.875 119.800 -0.018 0.000 2.297 352 Q HA -0.023 4.317 4.340 -0.000 0.000 0.204 352 Q C 2.129 178.117 176.000 -0.021 0.000 0.962 352 Q CA 0.500 56.291 55.803 -0.020 0.000 0.879 352 Q CB -0.028 28.695 28.738 -0.025 0.000 0.947 352 Q HN 0.473 nan 8.270 nan 0.000 0.462 353 I N 1.063 121.620 120.570 -0.022 0.000 2.226 353 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 353 I C 1.956 178.063 176.117 -0.016 0.000 1.100 353 I CA 1.195 62.482 61.300 -0.022 0.000 1.374 353 I CB -0.123 37.864 38.000 -0.022 0.000 1.057 353 I HN 0.124 nan 8.210 nan 0.000 0.413 354 E N 0.412 120.604 120.200 -0.013 0.000 2.216 354 E HA -0.072 4.277 4.350 -0.000 0.000 0.192 354 E C 1.914 178.510 176.600 -0.007 0.000 0.973 354 E CA 0.569 56.964 56.400 -0.009 0.000 0.851 354 E CB -0.143 29.553 29.700 -0.008 0.000 0.804 354 E HN 0.538 nan 8.360 nan 0.000 0.477 355 E N 1.090 121.286 120.200 -0.007 0.000 2.072 355 E HA 0.020 4.369 4.350 -0.000 0.000 0.190 355 E C 0.462 177.061 176.600 -0.003 0.000 0.982 355 E CA 0.525 56.921 56.400 -0.005 0.000 0.803 355 E CB 0.192 29.888 29.700 -0.006 0.000 0.755 355 E HN 0.029 nan 8.360 nan 0.000 0.453 356 A N 1.774 124.591 122.820 -0.004 0.000 2.269 356 A HA 0.208 4.528 4.320 -0.000 0.000 0.302 356 A C -0.036 177.550 177.584 0.003 0.000 1.266 356 A CA -0.497 51.540 52.037 0.001 0.000 0.894 356 A CB 0.139 19.139 19.000 -0.000 0.000 1.147 356 A HN 0.085 nan 8.150 nan 0.000 0.537 357 T N 0.541 115.100 114.554 0.008 0.000 2.891 357 T HA 0.583 4.933 4.350 -0.000 0.000 0.315 357 T C 0.022 174.733 174.700 0.018 0.000 1.054 357 T CA -0.185 61.921 62.100 0.010 0.000 0.958 357 T CB 0.366 69.239 68.868 0.008 0.000 1.008 357 T HN 0.754 nan 8.240 nan 0.000 0.521 358 S N 1.280 116.994 115.700 0.023 0.000 2.752 358 S HA 0.462 4.932 4.470 -0.000 0.000 0.284 358 S C -0.469 174.156 174.600 0.042 0.000 1.189 358 S CA -0.691 57.533 58.200 0.040 0.000 0.835 358 S CB 1.585 64.822 63.200 0.062 0.000 1.192 358 S HN 0.556 nan 8.310 nan 0.000 0.506 359 D N 0.200 120.641 120.400 0.068 0.000 2.566 359 D HA 0.078 4.718 4.640 -0.000 0.000 0.253 359 D C 1.309 177.664 176.300 0.093 0.000 0.992 359 D CA 0.837 54.878 54.000 0.069 0.000 0.940 359 D CB -0.406 40.437 40.800 0.073 0.000 1.095 359 D HN 0.572 nan 8.370 nan 0.000 0.480 360 Y N 2.048 122.348 120.300 0.001 0.000 2.337 360 Y HA -0.072 4.478 4.550 -0.000 0.000 0.293 360 Y C 1.465 177.360 175.900 -0.008 0.000 1.123 360 Y CA 1.276 59.377 58.100 0.001 0.000 1.201 360 Y CB 0.124 38.589 38.460 0.008 0.000 1.011 360 Y HN -0.256 nan 8.280 nan 0.000 0.545 361 D N 0.297 120.722 120.400 0.040 0.000 2.218 361 D HA -0.155 4.485 4.640 -0.000 0.000 0.204 361 D C 2.122 178.348 176.300 -0.124 0.000 0.976 361 D CA 1.024 54.989 54.000 -0.058 0.000 0.853 361 D CB -0.255 40.569 40.800 0.041 0.000 0.939 361 D HN 0.383 nan 8.370 nan 0.000 0.481 362 R N 0.809 121.255 120.500 -0.089 0.000 2.066 362 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 362 R C 1.887 178.116 176.300 -0.117 0.000 1.131 362 R CA 1.205 57.257 56.100 -0.080 0.000 0.955 362 R CB 0.065 30.339 30.300 -0.043 0.000 0.851 362 R HN 0.168 nan 8.270 nan 0.000 0.432 363 E N 0.222 120.326 120.200 -0.161 0.000 2.038 363 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 363 E C 1.956 178.445 176.600 -0.185 0.000 1.000 363 E CA 1.264 57.566 56.400 -0.164 0.000 0.803 363 E CB 0.055 29.645 29.700 -0.185 0.000 0.750 363 E HN 0.173 nan 8.360 nan 0.000 0.448 364 K N 0.585 120.815 120.400 -0.282 0.000 2.152 364 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 364 K C 2.188 178.700 176.600 -0.147 0.000 1.048 364 K CA 0.868 57.012 56.287 -0.238 0.000 0.933 364 K CB -0.329 31.981 32.500 -0.316 0.000 0.721 364 K HN 0.229 nan 8.250 nan 0.000 0.447 365 L N 0.726 121.872 121.223 -0.128 0.000 2.109 365 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 365 L C 2.530 179.359 176.870 -0.067 0.000 1.086 365 L CA 0.989 55.778 54.840 -0.086 0.000 0.760 365 L CB -0.379 41.638 42.059 -0.071 0.000 0.910 365 L HN 0.094 nan 8.230 nan 0.000 0.437 366 Q N 0.184 119.943 119.800 -0.068 0.000 2.187 366 Q HA -0.133 4.207 4.340 -0.000 0.000 0.199 366 Q C 1.880 177.852 176.000 -0.046 0.000 0.957 366 Q CA 1.068 56.841 55.803 -0.051 0.000 0.857 366 Q CB 0.081 28.791 28.738 -0.047 0.000 0.929 366 Q HN 0.571 nan 8.270 nan 0.000 0.453 367 E N -0.072 120.093 120.200 -0.058 0.000 2.482 367 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 367 E C 1.799 178.377 176.600 -0.037 0.000 1.047 367 E CA 0.104 56.477 56.400 -0.045 0.000 0.869 367 E CB 0.271 29.940 29.700 -0.052 0.000 0.836 367 E HN 0.152 nan 8.360 nan 0.000 0.520 368 R N 0.034 120.507 120.500 -0.045 0.000 2.105 368 R HA -0.030 4.309 4.340 -0.000 0.000 0.214 368 R C 2.508 178.792 176.300 -0.027 0.000 1.091 368 R CA 1.001 57.078 56.100 -0.038 0.000 1.007 368 R CB 0.066 30.335 30.300 -0.052 0.000 0.912 368 R HN 0.134 nan 8.270 nan 0.000 0.450 369 V N -1.803 118.093 119.914 -0.030 0.000 2.667 369 V HA 0.025 4.145 4.120 -0.000 0.000 0.252 369 V C 2.114 178.198 176.094 -0.017 0.000 1.065 369 V CA 1.700 63.986 62.300 -0.023 0.000 1.083 369 V CB -0.633 31.176 31.823 -0.024 0.000 0.692 369 V HN 0.178 nan 8.190 nan 0.000 0.468 370 A N 0.330 123.139 122.820 -0.018 0.000 1.968 370 A HA -0.022 4.297 4.320 -0.000 0.000 0.217 370 A C 2.313 179.892 177.584 -0.008 0.000 1.169 370 A CA 1.569 53.597 52.037 -0.014 0.000 0.638 370 A CB -0.419 18.571 19.000 -0.016 0.000 0.812 370 A HN 0.571 nan 8.150 nan 0.000 0.446 371 K N -1.132 119.266 120.400 -0.003 0.000 2.103 371 K HA 0.012 4.331 4.320 -0.000 0.000 0.204 371 K C 1.751 178.357 176.600 0.010 0.000 1.052 371 K CA 1.165 57.458 56.287 0.009 0.000 0.945 371 K CB -0.153 32.362 32.500 0.024 0.000 0.722 371 K HN 0.369 nan 8.250 nan 0.000 0.443 372 L N -0.355 120.869 121.223 0.002 0.000 2.200 372 L HA 0.103 4.443 4.340 -0.000 0.000 0.200 372 L C 1.903 178.771 176.870 -0.003 0.000 1.072 372 L CA 1.147 55.987 54.840 0.001 0.000 0.787 372 L CB -0.019 42.037 42.059 -0.006 0.000 0.957 372 L HN 0.026 nan 8.230 nan 0.000 0.459 373 A N -1.416 121.400 122.820 -0.007 0.000 2.169 373 A HA 0.260 4.580 4.320 -0.000 0.000 0.210 373 A C 2.115 179.694 177.584 -0.008 0.000 1.168 373 A CA 0.627 52.660 52.037 -0.008 0.000 0.813 373 A CB -0.828 18.166 19.000 -0.010 0.000 0.861 373 A HN 0.418 nan 8.150 nan 0.000 0.481 374 G N -0.223 108.572 108.800 -0.008 0.000 2.408 374 G HA2 0.353 4.313 3.960 -0.000 0.000 0.217 374 G HA3 0.353 4.313 3.960 -0.000 0.000 0.217 374 G C 1.109 176.005 174.900 -0.008 0.000 1.150 374 G CA 0.798 45.893 45.100 -0.009 0.000 0.776 374 G HN 1.701 nan 8.290 nan 0.000 0.542 375 G N -2.120 106.676 108.800 -0.006 0.000 2.582 375 G HA2 0.142 4.102 3.960 -0.000 0.000 0.222 375 G HA3 0.142 4.102 3.960 -0.000 0.000 0.222 375 G C -1.032 173.863 174.900 -0.008 0.000 1.311 375 G CA -0.353 44.743 45.100 -0.006 0.000 0.915 375 G HN 1.016 nan 8.290 nan 0.000 0.528 376 V N 0.157 120.065 119.914 -0.010 0.000 2.733 376 V HA 0.746 4.866 4.120 -0.000 0.000 0.306 376 V C 0.563 176.648 176.094 -0.015 0.000 1.084 376 V CA -0.046 62.246 62.300 -0.014 0.000 0.905 376 V CB 1.640 33.455 31.823 -0.013 0.000 1.010 376 V HN 2.224 nan 8.190 nan 0.000 0.424 377 A N 4.314 127.123 122.820 -0.018 0.000 2.276 377 A HA 0.753 5.073 4.320 -0.000 0.000 0.300 377 A C -0.622 176.951 177.584 -0.017 0.000 1.235 377 A CA -0.347 51.680 52.037 -0.017 0.000 0.867 377 A CB 0.884 19.873 19.000 -0.018 0.000 1.137 377 A HN 0.732 nan 8.150 nan 0.000 0.527 378 V N 5.249 125.154 119.914 -0.014 0.000 2.326 378 V HA 0.291 4.410 4.120 -0.000 0.000 0.281 378 V C -0.402 175.686 176.094 -0.011 0.000 1.015 378 V CA -0.085 62.207 62.300 -0.013 0.000 0.823 378 V CB 0.859 32.674 31.823 -0.013 0.000 1.009 378 V HN 0.727 nan 8.190 nan 0.000 0.436 379 I N 5.268 125.831 120.570 -0.011 0.000 2.328 379 I HA 0.466 4.636 4.170 -0.000 0.000 0.287 379 I C 0.099 176.211 176.117 -0.007 0.000 1.012 379 I CA -0.530 60.765 61.300 -0.008 0.000 1.195 379 I CB 0.982 38.977 38.000 -0.008 0.000 1.350 379 I HN 0.376 nan 8.210 nan 0.000 0.464 380 K N 6.165 126.560 120.400 -0.007 0.000 2.316 380 K HA 0.473 4.793 4.320 -0.000 0.000 0.267 380 K C -0.646 175.951 176.600 -0.005 0.000 1.025 380 K CA -0.704 55.580 56.287 -0.006 0.000 0.896 380 K CB 2.287 34.783 32.500 -0.007 0.000 1.124 380 K HN 0.359 nan 8.250 nan 0.000 0.451 381 V N 1.845 121.756 119.914 -0.004 0.000 2.614 381 V HA 0.258 4.378 4.120 -0.000 0.000 0.291 381 V C 0.857 176.949 176.094 -0.003 0.000 1.049 381 V CA -0.528 61.770 62.300 -0.003 0.000 1.038 381 V CB 1.142 32.964 31.823 -0.002 0.000 0.980 381 V HN 0.900 nan 8.190 nan 0.000 0.481 382 G N 2.406 111.204 108.800 -0.003 0.000 2.478 382 G HA2 0.784 4.744 3.960 -0.000 0.000 0.317 382 G HA3 0.784 4.744 3.960 -0.000 0.000 0.317 382 G C -0.567 174.331 174.900 -0.003 0.000 1.259 382 G CA 0.093 45.191 45.100 -0.003 0.000 0.933 382 G HN 1.194 nan 8.290 nan 0.000 0.478 383 A N 0.985 123.803 122.820 -0.003 0.000 2.567 383 A HA 0.904 5.224 4.320 -0.000 0.000 0.289 383 A C 0.777 178.359 177.584 -0.003 0.000 1.177 383 A CA 0.298 52.333 52.037 -0.003 0.000 0.694 383 A CB 0.781 19.779 19.000 -0.003 0.000 1.292 383 A HN 1.641 nan 8.150 nan 0.000 0.425 384 A N -0.462 122.357 122.820 -0.002 0.000 1.859 384 A HA 0.407 4.727 4.320 -0.000 0.000 0.212 384 A C 1.337 178.920 177.584 -0.002 0.000 1.238 384 A CA 1.954 53.990 52.037 -0.002 0.000 0.613 384 A CB -1.067 17.932 19.000 -0.002 0.000 0.904 384 A HN 1.663 nan 8.150 nan 0.000 0.457 385 T N -2.259 112.294 114.554 -0.002 0.000 2.913 385 T HA 0.366 4.716 4.350 -0.000 0.000 0.287 385 T C 0.641 175.340 174.700 -0.002 0.000 1.008 385 T CA 0.083 62.182 62.100 -0.002 0.000 1.067 385 T CB 1.861 70.728 68.868 -0.002 0.000 0.996 385 T HN 0.396 nan 8.240 nan 0.000 0.513 386 E N 0.411 120.609 120.200 -0.002 0.000 2.106 386 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 386 E C 1.705 178.304 176.600 -0.003 0.000 0.984 386 E CA 0.871 57.270 56.400 -0.002 0.000 0.806 386 E CB -0.030 29.668 29.700 -0.002 0.000 0.750 386 E HN 0.589 nan 8.360 nan 0.000 0.458 387 V N 1.295 121.208 119.914 -0.002 0.000 3.217 387 V HA -0.075 4.045 4.120 -0.000 0.000 0.264 387 V C 1.873 177.965 176.094 -0.003 0.000 1.135 387 V CA 0.994 63.292 62.300 -0.003 0.000 1.142 387 V CB -0.169 31.652 31.823 -0.002 0.000 0.754 387 V HN 0.169 nan 8.190 nan 0.000 0.484 388 E N -0.293 119.905 120.200 -0.003 0.000 2.371 388 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 388 E C 1.946 178.545 176.600 -0.003 0.000 1.012 388 E CA 0.440 56.839 56.400 -0.003 0.000 0.860 388 E CB 0.123 29.822 29.700 -0.003 0.000 0.811 388 E HN 0.483 nan 8.360 nan 0.000 0.502 389 M N 0.630 120.228 119.600 -0.003 0.000 2.191 389 M HA -0.060 4.420 4.480 -0.000 0.000 0.262 389 M C 1.506 177.805 176.300 -0.002 0.000 1.083 389 M CA 1.207 56.506 55.300 -0.002 0.000 1.154 389 M CB -0.037 32.561 32.600 -0.003 0.000 1.344 389 M HN -0.186 nan 8.290 nan 0.000 0.431 390 K N 0.486 120.885 120.400 -0.002 0.000 2.362 390 K HA -0.152 4.168 4.320 -0.000 0.000 0.200 390 K C 1.739 178.337 176.600 -0.002 0.000 1.046 390 K CA 1.033 57.318 56.287 -0.002 0.000 0.952 390 K CB -0.193 32.305 32.500 -0.003 0.000 0.753 390 K HN 0.578 nan 8.250 nan 0.000 0.466 391 E N 1.007 121.205 120.200 -0.003 0.000 2.190 391 E HA -0.074 4.275 4.350 -0.000 0.000 0.191 391 E C 1.784 178.383 176.600 -0.002 0.000 0.978 391 E CA 0.457 56.856 56.400 -0.003 0.000 0.839 391 E CB 0.288 29.986 29.700 -0.003 0.000 0.787 391 E HN 0.075 nan 8.360 nan 0.000 0.473 392 K N 0.714 121.113 120.400 -0.002 0.000 2.418 392 K HA -0.060 4.260 4.320 -0.000 0.000 0.195 392 K C 1.954 178.554 176.600 0.000 0.000 1.035 392 K CA 0.339 56.626 56.287 -0.001 0.000 1.003 392 K CB 0.227 32.726 32.500 -0.002 0.000 0.793 392 K HN -0.083 nan 8.250 nan 0.000 0.494 393 K N 0.341 120.741 120.400 0.000 0.000 1.980 393 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 393 K C 1.909 178.511 176.600 0.004 0.000 1.043 393 K CA 1.232 57.520 56.287 0.002 0.000 0.938 393 K CB -0.178 32.322 32.500 0.001 0.000 0.724 393 K HN 0.126 nan 8.250 nan 0.000 0.438 394 A N 1.607 124.428 122.820 0.002 0.000 2.070 394 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 394 A C 2.082 179.668 177.584 0.004 0.000 1.159 394 A CA 1.299 53.338 52.037 0.003 0.000 0.656 394 A CB -0.520 18.479 19.000 -0.003 0.000 0.800 394 A HN 0.379 nan 8.150 nan 0.000 0.453 395 R N -0.341 120.161 120.500 0.003 0.000 2.081 395 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 395 R C 1.836 178.141 176.300 0.009 0.000 1.131 395 R CA 1.831 57.933 56.100 0.003 0.000 0.960 395 R CB -0.324 29.976 30.300 0.001 0.000 0.856 395 R HN 0.339 nan 8.270 nan 0.000 0.436 396 V N 1.280 121.200 119.914 0.010 0.000 2.427 396 V HA -0.182 3.937 4.120 -0.000 0.000 0.248 396 V C 1.997 178.106 176.094 0.026 0.000 1.051 396 V CA 1.851 64.159 62.300 0.013 0.000 1.048 396 V CB -0.410 31.418 31.823 0.008 0.000 0.666 396 V HN 0.408 nan 8.190 nan 0.000 0.456 397 E N 0.083 120.302 120.200 0.032 0.000 2.077 397 E HA -0.237 4.112 4.350 -0.000 0.000 0.193 397 E C 1.554 178.210 176.600 0.093 0.000 0.989 397 E CA 1.521 57.959 56.400 0.063 0.000 0.800 397 E CB -0.177 29.554 29.700 0.051 0.000 0.746 397 E HN 0.522 nan 8.360 nan 0.000 0.452 398 D N -0.716 119.712 120.400 0.047 0.000 2.349 398 D HA 0.068 4.708 4.640 -0.000 0.000 0.224 398 D C 0.823 177.150 176.300 0.045 0.000 1.029 398 D CA 0.235 54.257 54.000 0.036 0.000 0.879 398 D CB 0.425 41.222 40.800 -0.004 0.000 0.906 398 D HN 0.134 nan 8.370 nan 0.000 0.528 399 A N -0.514 122.331 122.820 0.042 0.000 2.390 399 A HA 0.213 4.532 4.320 -0.000 0.000 0.232 399 A C 1.627 179.231 177.584 0.034 0.000 1.233 399 A CA -0.079 51.976 52.037 0.032 0.000 0.907 399 A CB 0.123 19.133 19.000 0.017 0.000 0.967 399 A HN 0.209 nan 8.150 nan 0.000 0.512 400 L N -1.634 119.618 121.223 0.050 0.000 2.269 400 L HA 0.158 4.497 4.340 -0.000 0.000 0.200 400 L C 2.213 179.092 176.870 0.015 0.000 1.069 400 L CA 1.127 55.979 54.840 0.020 0.000 0.804 400 L CB -0.423 41.639 42.059 0.005 0.000 0.987 400 L HN 0.479 nan 8.230 nan 0.000 0.468 401 H N -0.483 118.581 119.070 -0.010 0.000 2.390 401 H HA -0.164 4.392 4.556 -0.000 0.000 0.298 401 H C 1.962 177.286 175.328 -0.007 0.000 1.106 401 H CA 1.571 57.613 56.048 -0.010 0.000 1.297 401 H CB 0.155 29.910 29.762 -0.012 0.000 1.375 401 H HN 0.502 nan 8.280 nan 0.000 0.509 402 A N 0.040 122.926 122.820 0.109 0.000 1.929 402 A HA -0.104 4.215 4.320 -0.000 0.000 0.216 402 A C 2.586 180.187 177.584 0.029 0.000 1.176 402 A CA 1.664 53.736 52.037 0.058 0.000 0.628 402 A CB -0.576 18.450 19.000 0.043 0.000 0.816 402 A HN 0.356 nan 8.150 nan 0.000 0.444 403 T N -0.492 114.072 114.554 0.016 0.000 2.821 403 T HA -0.088 4.262 4.350 -0.000 0.000 0.267 403 T C 2.110 176.803 174.700 -0.012 0.000 1.046 403 T CA 0.993 63.093 62.100 0.000 0.000 1.139 403 T CB -0.211 68.654 68.868 -0.005 0.000 0.871 403 T HN 0.291 nan 8.240 nan 0.000 0.454 404 R N 1.255 121.737 120.500 -0.030 0.000 2.083 404 R HA 0.005 4.345 4.340 -0.000 0.000 0.237 404 R C 2.643 178.930 176.300 -0.022 0.000 1.137 404 R CA 1.640 57.711 56.100 -0.048 0.000 0.951 404 R CB -0.905 29.330 30.300 -0.109 0.000 0.851 404 R HN 0.447 nan 8.270 nan 0.000 0.434 405 A N 0.277 123.096 122.820 -0.002 0.000 2.014 405 A HA 0.059 4.378 4.320 -0.000 0.000 0.218 405 A C 2.196 179.787 177.584 0.012 0.000 1.163 405 A CA 1.299 53.343 52.037 0.013 0.000 0.652 405 A CB -0.260 18.759 19.000 0.032 0.000 0.808 405 A HN 0.354 nan 8.150 nan 0.000 0.449 406 A N -0.647 122.179 122.820 0.009 0.000 2.066 406 A HA 0.143 4.463 4.320 -0.000 0.000 0.218 406 A C 2.014 179.600 177.584 0.004 0.000 1.157 406 A CA 1.576 53.618 52.037 0.008 0.000 0.670 406 A CB -0.381 18.623 19.000 0.007 0.000 0.804 406 A HN 0.325 nan 8.150 nan 0.000 0.453 407 V N -0.556 119.357 119.914 -0.001 0.000 2.575 407 V HA -0.117 4.003 4.120 -0.000 0.000 0.242 407 V C 2.252 178.346 176.094 -0.001 0.000 1.045 407 V CA 1.612 63.910 62.300 -0.003 0.000 1.065 407 V CB -0.551 31.267 31.823 -0.009 0.000 0.717 407 V HN 0.573 nan 8.190 nan 0.000 0.467 408 E N 0.165 120.365 120.200 -0.001 0.000 2.047 408 E HA -0.172 4.177 4.350 -0.000 0.000 0.191 408 E C 1.867 178.471 176.600 0.007 0.000 0.987 408 E CA 1.476 57.877 56.400 0.002 0.000 0.799 408 E CB 0.069 29.771 29.700 0.003 0.000 0.752 408 E HN 0.639 nan 8.360 nan 0.000 0.449 409 E N -1.086 119.121 120.200 0.010 0.000 2.474 409 E HA 0.208 4.558 4.350 -0.000 0.000 0.215 409 E C 0.515 177.123 176.600 0.013 0.000 0.867 409 E CA 0.277 56.685 56.400 0.013 0.000 1.135 409 E CB 1.767 31.478 29.700 0.017 0.000 1.147 409 E HN 0.199 nan 8.360 nan 0.000 0.534 410 G N 1.228 110.035 108.800 0.012 0.000 2.466 410 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.316 410 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.316 410 G C -0.797 174.111 174.900 0.014 0.000 1.270 410 G CA -0.521 44.586 45.100 0.012 0.000 0.982 410 G HN 0.401 nan 8.290 nan 0.000 0.506 411 V N -2.047 117.875 119.914 0.014 0.000 2.588 411 V HA 0.891 5.011 4.120 -0.000 0.000 0.304 411 V C 0.730 176.834 176.094 0.016 0.000 1.042 411 V CA -0.075 62.234 62.300 0.015 0.000 0.877 411 V CB 0.803 32.634 31.823 0.013 0.000 0.996 411 V HN 2.185 nan 8.190 nan 0.000 0.425 412 V N 1.505 121.429 119.914 0.018 0.000 3.302 412 V HA 0.990 5.109 4.120 -0.000 0.000 0.316 412 V C 0.807 176.913 176.094 0.020 0.000 1.111 412 V CA -0.424 61.888 62.300 0.020 0.000 1.029 412 V CB 1.343 33.179 31.823 0.022 0.000 1.170 412 V HN 1.676 nan 8.190 nan 0.000 0.452 413 A N 0.862 123.696 122.820 0.023 0.000 2.454 413 A HA 0.649 4.969 4.320 -0.000 0.000 0.260 413 A C 0.837 178.433 177.584 0.019 0.000 1.106 413 A CA 0.379 52.430 52.037 0.023 0.000 0.780 413 A CB -0.525 18.494 19.000 0.032 0.000 1.044 413 A HN 1.710 nan 8.150 nan 0.000 0.498 414 G N 0.869 109.676 108.800 0.012 0.000 2.486 414 G HA2 0.488 4.448 3.960 -0.000 0.000 0.272 414 G HA3 0.488 4.448 3.960 -0.000 0.000 0.272 414 G C 1.187 176.092 174.900 0.009 0.000 1.426 414 G CA 0.034 45.139 45.100 0.008 0.000 1.058 414 G HN 2.246 nan 8.290 nan 0.000 0.531 415 G N -2.355 106.449 108.800 0.007 0.000 2.155 415 G HA2 0.203 4.163 3.960 -0.000 0.000 0.257 415 G HA3 0.203 4.163 3.960 -0.000 0.000 0.257 415 G C 1.524 176.440 174.900 0.027 0.000 0.983 415 G CA 1.115 46.224 45.100 0.015 0.000 0.676 415 G HN 2.518 nan 8.290 nan 0.000 0.528 416 G N -2.092 106.721 108.800 0.023 0.000 2.153 416 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.252 416 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.252 416 G C 1.757 176.675 174.900 0.030 0.000 0.994 416 G CA 1.940 47.056 45.100 0.025 0.000 0.698 416 G HN 2.242 nan 8.290 nan 0.000 0.521 417 V N -2.908 117.025 119.914 0.032 0.000 2.788 417 V HA 0.466 4.585 4.120 -0.000 0.000 0.251 417 V C 2.736 178.854 176.094 0.040 0.000 1.068 417 V CA 1.630 63.954 62.300 0.040 0.000 1.090 417 V CB -0.555 31.293 31.823 0.043 0.000 0.710 417 V HN 1.289 nan 8.190 nan 0.000 0.467 418 A N 1.276 124.116 122.820 0.034 0.000 1.883 418 A HA -0.094 4.225 4.320 -0.000 0.000 0.217 418 A C 2.204 179.806 177.584 0.031 0.000 1.186 418 A CA 2.404 54.460 52.037 0.032 0.000 0.624 418 A CB -0.722 18.295 19.000 0.028 0.000 0.822 418 A HN 0.590 nan 8.150 nan 0.000 0.444 419 L N -1.076 120.164 121.223 0.029 0.000 2.056 419 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 419 L C 2.452 179.338 176.870 0.028 0.000 1.078 419 L CA 1.179 56.035 54.840 0.027 0.000 0.749 419 L CB -0.329 41.745 42.059 0.025 0.000 0.901 419 L HN 0.434 nan 8.230 nan 0.000 0.433 420 I N -0.519 120.070 120.570 0.032 0.000 2.614 420 I HA -0.238 3.932 4.170 -0.000 0.000 0.258 420 I C 2.638 178.778 176.117 0.038 0.000 1.189 420 I CA 0.672 61.992 61.300 0.034 0.000 1.462 420 I CB 0.064 38.086 38.000 0.038 0.000 1.092 420 I HN 0.176 nan 8.210 nan 0.000 0.442 421 R N 0.014 120.538 120.500 0.041 0.000 2.093 421 R HA -0.026 4.314 4.340 -0.000 0.000 0.224 421 R C 1.974 178.294 176.300 0.033 0.000 1.101 421 R CA 1.321 57.447 56.100 0.042 0.000 0.979 421 R CB -0.656 29.672 30.300 0.047 0.000 0.877 421 R HN 0.189 nan 8.270 nan 0.000 0.441 422 V N 0.807 120.738 119.914 0.028 0.000 2.407 422 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 422 V C 2.271 178.377 176.094 0.021 0.000 1.055 422 V CA 1.830 64.144 62.300 0.023 0.000 1.049 422 V CB -0.810 31.026 31.823 0.021 0.000 0.662 422 V HN 0.474 nan 8.190 nan 0.000 0.455 423 A N 0.805 123.639 122.820 0.022 0.000 1.908 423 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 423 A C 2.527 180.122 177.584 0.019 0.000 1.181 423 A CA 2.507 54.555 52.037 0.019 0.000 0.627 423 A CB -0.803 18.209 19.000 0.020 0.000 0.818 423 A HN 0.704 nan 8.150 nan 0.000 0.445 424 S N -0.727 114.986 115.700 0.022 0.000 2.453 424 S HA -0.032 4.437 4.470 -0.000 0.000 0.231 424 S C 1.581 176.191 174.600 0.017 0.000 1.005 424 S CA 1.269 59.481 58.200 0.020 0.000 0.949 424 S CB -0.209 63.006 63.200 0.024 0.000 0.774 424 S HN 0.590 nan 8.310 nan 0.000 0.510 425 K N 0.371 120.781 120.400 0.017 0.000 2.426 425 K HA 0.347 4.666 4.320 -0.000 0.000 0.193 425 K C 0.660 177.268 176.600 0.012 0.000 1.028 425 K CA 0.226 56.522 56.287 0.015 0.000 1.047 425 K CB 0.032 32.541 32.500 0.016 0.000 0.821 425 K HN 0.382 nan 8.250 nan 0.000 0.513 426 L N -0.237 120.993 121.223 0.012 0.000 3.014 426 L HA 0.254 4.594 4.340 -0.000 0.000 0.263 426 L C 1.433 178.308 176.870 0.009 0.000 1.207 426 L CA -0.192 54.654 54.840 0.010 0.000 1.017 426 L CB 0.576 42.641 42.059 0.010 0.000 1.360 426 L HN 0.032 nan 8.230 nan 0.000 0.560 427 A N -0.470 122.355 122.820 0.009 0.000 2.067 427 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 427 A C 1.541 179.129 177.584 0.006 0.000 1.158 427 A CA 1.331 53.373 52.037 0.008 0.000 0.661 427 A CB -0.135 18.870 19.000 0.008 0.000 0.801 427 A HN 0.288 nan 8.150 nan 0.000 0.452 428 D N -1.038 119.365 120.400 0.006 0.000 2.339 428 D HA 0.127 4.767 4.640 -0.000 0.000 0.217 428 D C 0.205 176.508 176.300 0.005 0.000 1.050 428 D CA -0.062 53.941 54.000 0.005 0.000 0.856 428 D CB -0.053 40.750 40.800 0.005 0.000 0.922 428 D HN 0.340 nan 8.370 nan 0.000 0.518 429 L N 1.677 122.903 121.223 0.005 0.000 2.410 429 L HA 0.156 4.496 4.340 -0.000 0.000 0.273 429 L C 0.106 176.978 176.870 0.004 0.000 1.152 429 L CA 0.440 55.282 54.840 0.004 0.000 0.855 429 L CB 0.239 42.300 42.059 0.005 0.000 1.129 429 L HN -0.239 nan 8.230 nan 0.000 0.463 430 R N 3.020 123.522 120.500 0.003 0.000 2.867 430 R HA 0.632 4.972 4.340 -0.000 0.000 0.268 430 R C -0.053 176.249 176.300 0.003 0.000 1.014 430 R CA -0.272 55.830 56.100 0.003 0.000 0.946 430 R CB 1.486 31.788 30.300 0.003 0.000 1.208 430 R HN 0.810 nan 8.270 nan 0.000 0.477 431 G N -0.109 108.693 108.800 0.003 0.000 3.075 431 G HA2 0.138 4.098 3.960 -0.000 0.000 0.156 431 G HA3 0.138 4.098 3.960 -0.000 0.000 0.156 431 G C 0.207 175.109 174.900 0.002 0.000 1.403 431 G CA 0.052 45.154 45.100 0.002 0.000 1.033 431 G HN 0.441 nan 8.290 nan 0.000 0.589 432 Q N -0.682 119.119 119.800 0.002 0.000 2.442 432 Q HA 0.165 4.504 4.340 -0.000 0.000 0.228 432 Q C 0.002 176.004 176.000 0.002 0.000 0.902 432 Q CA 0.268 56.072 55.803 0.002 0.000 0.933 432 Q CB 0.460 29.198 28.738 0.001 0.000 1.071 432 Q HN 0.625 nan 8.270 nan 0.000 0.562 433 N N -1.269 117.432 118.700 0.002 0.000 2.629 433 N HA 0.069 4.809 4.740 -0.000 0.000 0.279 433 N C 0.129 175.641 175.510 0.002 0.000 1.344 433 N CA -0.482 52.569 53.050 0.002 0.000 0.789 433 N CB 0.533 39.022 38.487 0.002 0.000 1.508 433 N HN -0.261 nan 8.380 nan 0.000 0.516 434 E N -0.322 119.880 120.200 0.002 0.000 2.118 434 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 434 E C 0.419 177.021 176.600 0.003 0.000 0.992 434 E CA 1.715 58.116 56.400 0.002 0.000 0.804 434 E CB -0.322 29.380 29.700 0.002 0.000 0.741 434 E HN 0.595 nan 8.360 nan 0.000 0.458 435 D N -0.078 120.324 120.400 0.003 0.000 2.144 435 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 435 D C 1.866 178.168 176.300 0.004 0.000 0.984 435 D CA 0.907 54.909 54.000 0.004 0.000 0.834 435 D CB -0.201 40.602 40.800 0.004 0.000 0.955 435 D HN 0.389 nan 8.370 nan 0.000 0.465 436 Q N 0.069 119.871 119.800 0.004 0.000 2.172 436 Q HA -0.063 4.277 4.340 -0.000 0.000 0.200 436 Q C 1.778 177.780 176.000 0.004 0.000 0.964 436 Q CA 0.540 56.345 55.803 0.004 0.000 0.855 436 Q CB 0.044 28.784 28.738 0.003 0.000 0.918 436 Q HN 0.233 nan 8.270 nan 0.000 0.444 437 N N 0.130 118.832 118.700 0.003 0.000 2.166 437 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 437 N C 1.816 177.329 175.510 0.004 0.000 1.019 437 N CA 1.052 54.104 53.050 0.004 0.000 0.856 437 N CB -0.151 38.338 38.487 0.003 0.000 0.993 437 N HN 0.062 nan 8.380 nan 0.000 0.426 438 V N 0.588 120.504 119.914 0.004 0.000 2.453 438 V HA -0.073 4.046 4.120 -0.000 0.000 0.247 438 V C 2.445 178.542 176.094 0.006 0.000 1.048 438 V CA 1.752 64.055 62.300 0.005 0.000 1.049 438 V CB -1.161 30.665 31.823 0.005 0.000 0.672 438 V HN 0.301 nan 8.190 nan 0.000 0.457 439 G N 0.290 109.093 108.800 0.005 0.000 2.442 439 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 439 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 439 G C 1.548 176.452 174.900 0.006 0.000 1.141 439 G CA 1.160 46.264 45.100 0.006 0.000 0.763 439 G HN 0.515 nan 8.290 nan 0.000 0.554 440 I N 0.137 120.710 120.570 0.005 0.000 2.233 440 I HA -0.074 4.096 4.170 -0.000 0.000 0.243 440 I C 2.593 178.714 176.117 0.007 0.000 1.093 440 I CA 0.888 62.191 61.300 0.006 0.000 1.380 440 I CB -0.080 37.923 38.000 0.005 0.000 1.067 440 I HN -0.062 nan 8.210 nan 0.000 0.413 441 K N 0.614 121.018 120.400 0.006 0.000 2.209 441 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 441 K C 2.139 178.744 176.600 0.008 0.000 1.048 441 K CA 0.927 57.218 56.287 0.007 0.000 0.940 441 K CB -0.493 32.010 32.500 0.006 0.000 0.729 441 K HN 0.218 nan 8.250 nan 0.000 0.451 442 V N 1.479 121.398 119.914 0.008 0.000 2.295 442 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 442 V C 2.444 178.544 176.094 0.010 0.000 1.049 442 V CA 1.994 64.299 62.300 0.008 0.000 1.024 442 V CB -0.696 31.132 31.823 0.008 0.000 0.648 442 V HN 0.283 nan 8.190 nan 0.000 0.447 443 A N -0.469 122.356 122.820 0.010 0.000 1.930 443 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 443 A C 2.171 179.762 177.584 0.012 0.000 1.175 443 A CA 1.611 53.655 52.037 0.011 0.000 0.627 443 A CB -0.468 18.537 19.000 0.009 0.000 0.815 443 A HN 0.519 nan 8.150 nan 0.000 0.443 444 L N -1.445 119.785 121.223 0.011 0.000 2.156 444 L HA -0.058 4.281 4.340 -0.000 0.000 0.208 444 L C 2.664 179.541 176.870 0.012 0.000 1.095 444 L CA 0.909 55.756 54.840 0.012 0.000 0.770 444 L CB -0.349 41.717 42.059 0.011 0.000 0.914 444 L HN 0.299 nan 8.230 nan 0.000 0.439 445 R N -0.220 120.286 120.500 0.011 0.000 2.276 445 R HA 0.043 4.383 4.340 -0.000 0.000 0.203 445 R C 2.187 178.493 176.300 0.011 0.000 1.017 445 R CA 0.765 56.872 56.100 0.011 0.000 1.010 445 R CB -0.062 30.244 30.300 0.009 0.000 0.900 445 R HN 0.294 nan 8.270 nan 0.000 0.469 446 A N 0.441 123.268 122.820 0.012 0.000 2.021 446 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 446 A C 1.918 179.512 177.584 0.015 0.000 1.163 446 A CA 0.623 52.668 52.037 0.014 0.000 0.676 446 A CB -0.103 18.906 19.000 0.015 0.000 0.818 446 A HN 0.148 nan 8.150 nan 0.000 0.453 447 M N -0.461 119.148 119.600 0.016 0.000 2.476 447 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 447 M C 1.558 177.869 176.300 0.018 0.000 1.079 447 M CA 0.939 56.250 55.300 0.018 0.000 1.104 447 M CB -0.144 32.467 32.600 0.019 0.000 1.409 447 M HN 0.431 nan 8.290 nan 0.000 0.467 448 E N 0.370 120.579 120.200 0.016 0.000 2.285 448 E HA -0.051 4.298 4.350 -0.000 0.000 0.194 448 E C 2.141 178.747 176.600 0.011 0.000 0.997 448 E CA 0.775 57.184 56.400 0.015 0.000 0.845 448 E CB -0.023 29.684 29.700 0.013 0.000 0.782 448 E HN 0.513 nan 8.360 nan 0.000 0.491 449 A N 2.226 125.053 122.820 0.011 0.000 1.877 449 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 449 A C -0.330 177.259 177.584 0.008 0.000 1.186 449 A CA 1.142 53.183 52.037 0.008 0.000 0.620 449 A CB -1.395 17.611 19.000 0.009 0.000 0.822 449 A HN 0.124 nan 8.150 nan 0.000 0.443 450 P HA -0.192 nan 4.420 nan 0.000 0.214 450 P C 1.817 179.124 177.300 0.012 0.000 1.163 450 P CA 1.108 64.216 63.100 0.013 0.000 0.889 450 P CB -0.145 31.566 31.700 0.017 0.000 0.790 451 L N -0.707 120.525 121.223 0.014 0.000 1.989 451 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 451 L C 2.510 179.379 176.870 -0.002 0.000 1.071 451 L CA 1.814 56.662 54.840 0.014 0.000 0.749 451 L CB -0.375 41.696 42.059 0.019 0.000 0.890 451 L HN -0.194 nan 8.230 nan 0.000 0.431 452 R N -0.872 119.624 120.500 -0.007 0.000 2.127 452 R HA -0.243 4.097 4.340 -0.000 0.000 0.238 452 R C 2.292 178.581 176.300 -0.018 0.000 1.134 452 R CA 1.699 57.787 56.100 -0.019 0.000 0.975 452 R CB -0.274 30.019 30.300 -0.012 0.000 0.865 452 R HN 0.417 nan 8.270 nan 0.000 0.447 453 Q N 0.727 120.523 119.800 -0.006 0.000 2.137 453 Q HA -0.007 4.333 4.340 -0.000 0.000 0.198 453 Q C 1.785 177.784 176.000 -0.001 0.000 0.960 453 Q CA 1.265 57.066 55.803 -0.003 0.000 0.847 453 Q CB 0.067 28.806 28.738 0.002 0.000 0.915 453 Q HN 0.333 nan 8.270 nan 0.000 0.448 454 I N -0.799 119.775 120.570 0.005 0.000 2.252 454 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 454 I C 1.904 178.032 176.117 0.019 0.000 1.102 454 I CA 0.738 62.049 61.300 0.018 0.000 1.385 454 I CB -0.261 37.760 38.000 0.035 0.000 1.064 454 I HN 0.008 nan 8.210 nan 0.000 0.414 455 V N 0.688 120.594 119.914 -0.014 0.000 2.515 455 V HA -0.246 3.873 4.120 -0.000 0.000 0.250 455 V C 2.381 178.447 176.094 -0.047 0.000 1.058 455 V CA 1.413 63.671 62.300 -0.071 0.000 1.064 455 V CB -0.505 31.211 31.823 -0.178 0.000 0.675 455 V HN 0.347 nan 8.190 nan 0.000 0.461 456 L N 0.917 122.122 121.223 -0.030 0.000 2.093 456 L HA -0.109 4.230 4.340 -0.000 0.000 0.208 456 L C 2.146 179.011 176.870 -0.008 0.000 1.085 456 L CA 1.872 56.700 54.840 -0.020 0.000 0.755 456 L CB -0.763 41.287 42.059 -0.015 0.000 0.904 456 L HN 0.327 nan 8.230 nan 0.000 0.435 457 N N -1.526 117.174 118.700 -0.001 0.000 2.309 457 N HA -0.175 4.565 4.740 -0.000 0.000 0.182 457 N C 1.830 177.347 175.510 0.011 0.000 1.018 457 N CA 1.352 54.405 53.050 0.005 0.000 0.876 457 N CB -0.987 37.504 38.487 0.007 0.000 0.972 457 N HN 0.451 nan 8.380 nan 0.000 0.434 458 C N -0.035 119.277 119.300 0.021 0.000 2.539 458 C HA 0.291 4.751 4.460 -0.000 0.000 0.271 458 C C 1.824 176.830 174.990 0.025 0.000 1.412 458 C CA 0.809 59.851 59.018 0.040 0.000 1.729 458 C CB -1.603 26.197 27.740 0.100 0.000 1.739 458 C HN 0.638 nan 8.230 nan 0.000 0.570 459 G N 0.383 109.187 108.800 0.007 0.000 2.284 459 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.247 459 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.247 459 G C 0.032 174.926 174.900 -0.009 0.000 1.012 459 G CA 0.407 45.508 45.100 0.001 0.000 0.618 459 G HN 0.576 nan 8.290 nan 0.000 0.521 460 E N 1.369 121.556 120.200 -0.021 0.000 2.374 460 E HA 0.332 4.682 4.350 -0.000 0.000 0.260 460 E C 0.373 176.933 176.600 -0.067 0.000 1.101 460 E CA -0.252 56.119 56.400 -0.050 0.000 0.907 460 E CB 0.467 30.107 29.700 -0.099 0.000 1.014 460 E HN 0.597 nan 8.360 nan 0.000 0.427 461 E N 3.103 123.269 120.200 -0.057 0.000 2.265 461 E HA 0.006 4.356 4.350 -0.000 0.000 0.272 461 E C -1.396 175.160 176.600 -0.073 0.000 1.067 461 E CA -1.368 55.003 56.400 -0.049 0.000 0.900 461 E CB 0.674 30.357 29.700 -0.029 0.000 1.017 461 E HN 0.228 nan 8.360 nan 0.000 0.431 462 P HA -0.206 nan 4.420 nan 0.000 0.217 462 P C 1.125 178.393 177.300 -0.054 0.000 1.150 462 P CA 1.196 64.252 63.100 -0.074 0.000 0.832 462 P CB 0.231 31.902 31.700 -0.047 0.000 0.787 463 S N 0.025 115.705 115.700 -0.033 0.000 2.370 463 S HA -0.117 4.353 4.470 -0.000 0.000 0.226 463 S C 2.158 176.749 174.600 -0.015 0.000 1.033 463 S CA 1.553 59.742 58.200 -0.019 0.000 1.011 463 S CB -1.885 61.308 63.200 -0.012 0.000 0.852 463 S HN -0.008 nan 8.310 nan 0.000 0.457 464 V N 1.652 121.554 119.914 -0.020 0.000 2.307 464 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 464 V C 2.603 178.700 176.094 0.006 0.000 1.045 464 V CA 1.474 63.771 62.300 -0.005 0.000 1.024 464 V CB -0.831 30.991 31.823 -0.002 0.000 0.651 464 V HN 0.423 nan 8.190 nan 0.000 0.449 465 V N 0.361 120.255 119.914 -0.034 0.000 2.307 465 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 465 V C 2.730 178.841 176.094 0.028 0.000 1.045 465 V CA 1.911 64.195 62.300 -0.026 0.000 1.024 465 V CB -1.072 30.556 31.823 -0.325 0.000 0.651 465 V HN 0.538 nan 8.190 nan 0.000 0.449 466 A N 0.242 123.057 122.820 -0.008 0.000 1.933 466 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 466 A C 2.035 179.640 177.584 0.036 0.000 1.175 466 A CA 2.308 54.356 52.037 0.018 0.000 0.628 466 A CB -0.838 18.164 19.000 0.002 0.000 0.814 466 A HN 0.603 nan 8.150 nan 0.000 0.444 467 N N -0.743 117.973 118.700 0.026 0.000 2.244 467 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 467 N C 1.573 177.104 175.510 0.035 0.000 1.016 467 N CA 1.943 55.008 53.050 0.025 0.000 0.866 467 N CB -0.177 38.317 38.487 0.013 0.000 0.980 467 N HN 0.436 nan 8.380 nan 0.000 0.430 468 T N -1.111 113.469 114.554 0.045 0.000 2.896 468 T HA 0.005 4.355 4.350 -0.000 0.000 0.263 468 T C 1.926 176.704 174.700 0.131 0.000 1.050 468 T CA 0.716 62.835 62.100 0.032 0.000 1.140 468 T CB -0.200 68.622 68.868 -0.077 0.000 0.877 468 T HN -0.020 nan 8.240 nan 0.000 0.457 469 V N 1.572 121.582 119.914 0.160 0.000 2.427 469 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 469 V C 2.446 178.648 176.094 0.180 0.000 1.051 469 V CA 1.417 63.839 62.300 0.203 0.000 1.048 469 V CB -0.462 31.443 31.823 0.137 0.000 0.666 469 V HN 0.437 nan 8.190 nan 0.000 0.456 470 K N 0.212 120.677 120.400 0.108 0.000 2.148 470 K HA -0.064 4.256 4.320 -0.000 0.000 0.204 470 K C 2.240 178.877 176.600 0.062 0.000 1.050 470 K CA 1.251 57.584 56.287 0.076 0.000 0.942 470 K CB -0.486 32.043 32.500 0.048 0.000 0.724 470 K HN 0.557 nan 8.250 nan 0.000 0.446 471 G N 1.248 110.080 108.800 0.055 0.000 2.402 471 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 471 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 471 G C 0.766 175.660 174.900 -0.009 0.000 1.162 471 G CA 0.670 45.779 45.100 0.015 0.000 0.777 471 G HN 0.372 nan 8.290 nan 0.000 0.539 472 G N -0.617 108.186 108.800 0.004 0.000 2.572 472 G HA2 0.466 4.426 3.960 -0.000 0.000 0.261 472 G HA3 0.466 4.426 3.960 -0.000 0.000 0.261 472 G C -1.060 173.855 174.900 0.025 0.000 1.197 472 G CA -0.357 44.680 45.100 -0.105 0.000 0.870 472 G HN 0.146 nan 8.290 nan 0.000 0.548 473 D N -0.985 119.405 120.400 -0.016 0.000 2.419 473 D HA 0.612 5.251 4.640 -0.000 0.000 0.234 473 D C 0.814 177.157 176.300 0.072 0.000 1.014 473 D CA 0.942 54.964 54.000 0.037 0.000 0.919 473 D CB 1.919 42.721 40.800 0.004 0.000 1.366 473 D HN 0.880 nan 8.370 nan 0.000 0.490 474 G N 1.390 110.236 108.800 0.077 0.000 2.496 474 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.243 474 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.243 474 G C 0.074 175.038 174.900 0.107 0.000 1.176 474 G CA -0.366 44.781 45.100 0.079 0.000 0.940 474 G HN 0.590 nan 8.290 nan 0.000 0.573 475 N N 0.502 119.268 118.700 0.109 0.000 2.346 475 N HA 0.176 4.915 4.740 -0.000 0.000 0.225 475 N C -0.272 175.325 175.510 0.145 0.000 1.144 475 N CA -0.035 53.077 53.050 0.102 0.000 0.837 475 N CB 0.334 38.863 38.487 0.070 0.000 1.069 475 N HN 0.445 nan 8.380 nan 0.000 0.487 476 Y N 1.158 121.489 120.300 0.052 0.000 2.393 476 Y HA 0.423 4.972 4.550 -0.000 0.000 0.338 476 Y C 0.451 176.419 175.900 0.112 0.000 1.029 476 Y CA -0.205 57.940 58.100 0.075 0.000 1.239 476 Y CB 0.456 38.953 38.460 0.060 0.000 1.170 476 Y HN -0.010 nan 8.280 nan 0.000 0.515 477 G N 4.187 112.798 108.800 -0.316 0.000 2.870 477 G HA2 0.257 4.217 3.960 -0.000 0.000 0.299 477 G HA3 0.257 4.217 3.960 -0.000 0.000 0.299 477 G C -2.428 172.382 174.900 -0.150 0.000 1.324 477 G CA -0.901 44.087 45.100 -0.188 0.000 0.808 477 G HN 0.522 nan 8.290 nan 0.000 0.535 478 Y N 1.274 121.456 120.300 -0.197 0.000 2.335 478 Y HA 0.575 5.125 4.550 -0.000 0.000 0.338 478 Y C -0.227 175.530 175.900 -0.238 0.000 0.977 478 Y CA -1.224 56.680 58.100 -0.327 0.000 1.114 478 Y CB 1.627 39.880 38.460 -0.345 0.000 1.182 478 Y HN 0.413 nan 8.280 nan 0.000 0.463 479 N N 4.630 122.854 118.700 -0.793 0.000 2.437 479 N HA 0.218 4.958 4.740 -0.000 0.000 0.243 479 N C 0.316 175.310 175.510 -0.859 0.000 1.041 479 N CA 0.526 53.215 53.050 -0.602 0.000 0.940 479 N CB 1.523 39.767 38.487 -0.405 0.000 1.133 479 N HN 0.917 nan 8.380 nan 0.000 0.506 480 A N 3.729 126.291 122.820 -0.429 0.000 2.014 480 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 480 A C 1.995 179.490 177.584 -0.149 0.000 1.163 480 A CA 1.436 53.367 52.037 -0.176 0.000 0.652 480 A CB -0.418 18.618 19.000 0.060 0.000 0.808 480 A HN 0.698 nan 8.150 nan 0.000 0.449 481 A N -0.219 122.508 122.820 -0.156 0.000 1.898 481 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 481 A C 2.288 179.800 177.584 -0.120 0.000 1.181 481 A CA 2.297 54.269 52.037 -0.107 0.000 0.620 481 A CB -0.926 18.021 19.000 -0.088 0.000 0.819 481 A HN 0.732 nan 8.150 nan 0.000 0.442 482 T N -3.849 110.596 114.554 -0.181 0.000 3.040 482 T HA 0.267 4.617 4.350 -0.000 0.000 0.250 482 T C 0.298 174.885 174.700 -0.188 0.000 1.058 482 T CA 0.654 62.660 62.100 -0.156 0.000 0.988 482 T CB -0.188 68.595 68.868 -0.143 0.000 0.993 482 T HN 0.572 nan 8.240 nan 0.000 0.519 483 E N 1.080 121.097 120.200 -0.304 0.000 2.586 483 E HA -0.143 4.207 4.350 -0.000 0.000 0.259 483 E C -0.739 175.663 176.600 -0.329 0.000 1.107 483 E CA 0.540 56.761 56.400 -0.299 0.000 0.754 483 E CB -1.002 28.672 29.700 -0.043 0.000 1.335 483 E HN 0.643 nan 8.360 nan 0.000 0.411 484 E N -0.208 119.710 120.200 -0.471 0.000 2.238 484 E HA 0.353 4.703 4.350 -0.000 0.000 0.267 484 E C -0.456 175.902 176.600 -0.404 0.000 0.887 484 E CA -0.627 55.605 56.400 -0.281 0.000 0.769 484 E CB 1.068 30.683 29.700 -0.141 0.000 1.187 484 E HN 0.053 nan 8.360 nan 0.000 0.416 485 Y N 0.217 120.466 120.300 -0.085 0.000 2.334 485 Y HA 0.563 5.113 4.550 -0.000 0.000 0.325 485 Y C 1.258 177.113 175.900 -0.075 0.000 1.308 485 Y CA 0.635 58.669 58.100 -0.110 0.000 1.389 485 Y CB 1.515 39.971 38.460 -0.006 0.000 1.328 485 Y HN 0.701 nan 8.280 nan 0.000 0.532 486 G N 0.502 109.329 108.800 0.044 0.000 2.356 486 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.288 486 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.288 486 G C -1.808 173.149 174.900 0.095 0.000 1.302 486 G CA -1.244 43.940 45.100 0.140 0.000 0.887 486 G HN 0.546 nan 8.290 nan 0.000 0.521 487 N N 0.934 119.711 118.700 0.128 0.000 2.452 487 N HA 0.098 4.838 4.740 -0.000 0.000 0.266 487 N C 1.744 177.276 175.510 0.036 0.000 1.209 487 N CA -0.319 52.790 53.050 0.097 0.000 0.929 487 N CB 0.721 39.261 38.487 0.088 0.000 1.063 487 N HN 0.399 nan 8.380 nan 0.000 0.472 488 M N 3.664 123.279 119.600 0.024 0.000 2.132 488 M HA -0.118 4.362 4.480 -0.000 0.000 0.263 488 M C 1.725 178.027 176.300 0.003 0.000 1.065 488 M CA 0.948 56.247 55.300 -0.002 0.000 1.122 488 M CB -0.628 31.971 32.600 -0.002 0.000 1.365 488 M HN 0.528 nan 8.290 nan 0.000 0.411 489 I N 0.767 121.347 120.570 0.017 0.000 2.226 489 I HA -0.268 3.901 4.170 -0.000 0.000 0.245 489 I C 1.805 177.928 176.117 0.010 0.000 1.100 489 I CA 1.485 62.794 61.300 0.014 0.000 1.374 489 I CB -1.635 36.378 38.000 0.020 0.000 1.057 489 I HN 0.247 nan 8.210 nan 0.000 0.413 490 D N 0.360 120.769 120.400 0.015 0.000 2.219 490 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 490 D C 2.179 178.481 176.300 0.002 0.000 0.970 490 D CA 0.984 54.991 54.000 0.012 0.000 0.851 490 D CB -0.071 40.742 40.800 0.021 0.000 0.943 490 D HN 0.343 nan 8.370 nan 0.000 0.488 491 M N -0.851 118.746 119.600 -0.005 0.000 2.561 491 M HA 0.139 4.619 4.480 -0.000 0.000 0.238 491 M C 1.093 177.379 176.300 -0.023 0.000 1.131 491 M CA 0.368 55.655 55.300 -0.021 0.000 1.046 491 M CB 0.701 33.278 32.600 -0.039 0.000 1.532 491 M HN 0.091 nan 8.290 nan 0.000 0.497 492 G N 1.728 110.520 108.800 -0.014 0.000 2.162 492 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.260 492 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.260 492 G C 0.122 175.013 174.900 -0.015 0.000 0.976 492 G CA -0.205 44.888 45.100 -0.012 0.000 0.655 492 G HN 0.482 nan 8.290 nan 0.000 0.533 493 I N 1.497 122.055 120.570 -0.020 0.000 2.308 493 I HA 0.497 4.666 4.170 -0.000 0.000 0.293 493 I C 0.262 176.374 176.117 -0.009 0.000 1.078 493 I CA -0.546 60.742 61.300 -0.021 0.000 1.292 493 I CB 0.373 38.351 38.000 -0.037 0.000 1.423 493 I HN 0.258 nan 8.210 nan 0.000 0.493 494 L N 4.012 125.233 121.223 -0.003 0.000 2.506 494 L HA 0.710 5.049 4.340 -0.000 0.000 0.257 494 L C -1.416 175.459 176.870 0.007 0.000 0.964 494 L CA -0.828 54.015 54.840 0.004 0.000 0.836 494 L CB 1.654 43.717 42.059 0.006 0.000 1.384 494 L HN 0.099 nan 8.230 nan 0.000 0.410 495 D N 1.117 121.524 120.400 0.011 0.000 2.362 495 D HA 0.486 5.125 4.640 -0.000 0.000 0.247 495 D C -2.706 173.604 176.300 0.018 0.000 1.050 495 D CA -1.282 52.727 54.000 0.014 0.000 0.839 495 D CB 2.312 43.122 40.800 0.016 0.000 1.283 495 D HN 0.372 nan 8.370 nan 0.000 0.477 496 P HA 0.033 nan 4.420 nan 0.000 0.264 496 P C 0.905 178.220 177.300 0.025 0.000 1.193 496 P CA 0.056 63.169 63.100 0.022 0.000 0.763 496 P CB 0.599 32.315 31.700 0.027 0.000 0.810 497 T N 2.582 117.149 114.554 0.023 0.000 2.699 497 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 497 T C 1.623 176.341 174.700 0.030 0.000 1.036 497 T CA 1.367 63.481 62.100 0.024 0.000 1.147 497 T CB -0.315 68.565 68.868 0.021 0.000 0.862 497 T HN 0.495 nan 8.240 nan 0.000 0.446 498 K N 0.529 120.948 120.400 0.032 0.000 2.063 498 K HA -0.109 4.210 4.320 -0.000 0.000 0.208 498 K C 2.382 179.013 176.600 0.052 0.000 1.048 498 K CA 1.356 57.668 56.287 0.041 0.000 0.928 498 K CB -0.484 32.040 32.500 0.039 0.000 0.713 498 K HN 0.242 nan 8.250 nan 0.000 0.442 499 V N 0.776 120.717 119.914 0.046 0.000 2.427 499 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 499 V C 1.645 177.769 176.094 0.050 0.000 1.051 499 V CA 2.516 64.844 62.300 0.048 0.000 1.048 499 V CB -0.371 31.473 31.823 0.035 0.000 0.666 499 V HN 0.460 nan 8.190 nan 0.000 0.456 500 T N 0.107 114.686 114.554 0.042 0.000 2.857 500 T HA -0.111 4.238 4.350 -0.000 0.000 0.266 500 T C 1.957 176.685 174.700 0.047 0.000 1.048 500 T CA 1.561 63.685 62.100 0.040 0.000 1.139 500 T CB -0.309 68.578 68.868 0.032 0.000 0.874 500 T HN 0.515 nan 8.240 nan 0.000 0.455 501 R N 1.024 121.552 120.500 0.046 0.000 2.075 501 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 501 R C 2.499 178.839 176.300 0.067 0.000 1.126 501 R CA 1.511 57.638 56.100 0.043 0.000 0.963 501 R CB -0.289 30.032 30.300 0.034 0.000 0.858 501 R HN 0.234 nan 8.270 nan 0.000 0.435 502 S N 0.507 116.271 115.700 0.108 0.000 2.355 502 S HA -0.102 4.368 4.470 -0.000 0.000 0.222 502 S C 1.990 176.738 174.600 0.246 0.000 1.031 502 S CA 1.141 59.473 58.200 0.220 0.000 0.993 502 S CB -0.193 63.139 63.200 0.220 0.000 0.859 502 S HN 0.559 nan 8.310 nan 0.000 0.453 503 A N 1.077 123.979 122.820 0.137 0.000 1.940 503 A HA -0.069 4.250 4.320 -0.000 0.000 0.219 503 A C 2.128 179.774 177.584 0.104 0.000 1.176 503 A CA 1.404 53.505 52.037 0.107 0.000 0.631 503 A CB -0.600 18.436 19.000 0.060 0.000 0.814 503 A HN 0.419 nan 8.150 nan 0.000 0.446 504 L N -0.652 120.618 121.223 0.078 0.000 2.068 504 L HA -0.086 4.254 4.340 -0.000 0.000 0.204 504 L C 2.490 179.386 176.870 0.044 0.000 1.076 504 L CA 2.096 56.967 54.840 0.052 0.000 0.753 504 L CB -0.706 41.373 42.059 0.033 0.000 0.910 504 L HN 0.470 nan 8.230 nan 0.000 0.439 505 Q N -1.580 118.234 119.800 0.023 0.000 2.061 505 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 505 Q C 2.188 178.141 176.000 -0.079 0.000 0.984 505 Q CA 2.348 58.114 55.803 -0.061 0.000 0.846 505 Q CB -0.350 28.301 28.738 -0.145 0.000 0.902 505 Q HN 0.517 nan 8.270 nan 0.000 0.421 506 Y N -0.063 120.242 120.300 0.009 0.000 2.145 506 Y HA -0.209 4.341 4.550 -0.000 0.000 0.286 506 Y C 2.375 178.280 175.900 0.008 0.000 1.145 506 Y CA 1.177 59.282 58.100 0.008 0.000 1.148 506 Y CB -0.497 37.968 38.460 0.008 0.000 0.981 506 Y HN 0.152 nan 8.280 nan 0.000 0.507 507 A N -0.213 122.705 122.820 0.162 0.000 1.972 507 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 507 A C 2.372 179.991 177.584 0.059 0.000 1.169 507 A CA 1.786 53.879 52.037 0.094 0.000 0.635 507 A CB -1.105 17.937 19.000 0.070 0.000 0.810 507 A HN 0.413 nan 8.150 nan 0.000 0.446 508 A N -1.159 121.685 122.820 0.040 0.000 1.930 508 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 508 A C 2.411 180.002 177.584 0.013 0.000 1.176 508 A CA 1.758 53.806 52.037 0.019 0.000 0.632 508 A CB -0.839 18.163 19.000 0.004 0.000 0.819 508 A HN 0.513 nan 8.150 nan 0.000 0.445 509 S N -0.699 115.004 115.700 0.006 0.000 2.359 509 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 509 S C 1.972 176.588 174.600 0.027 0.000 1.035 509 S CA 1.824 60.024 58.200 -0.001 0.000 1.018 509 S CB -0.500 62.683 63.200 -0.029 0.000 0.876 509 S HN 0.443 nan 8.310 nan 0.000 0.448 510 V N 1.569 121.515 119.914 0.052 0.000 2.379 510 V HA 0.018 4.138 4.120 -0.000 0.000 0.245 510 V C 2.615 178.730 176.094 0.036 0.000 1.044 510 V CA 1.942 64.272 62.300 0.050 0.000 1.036 510 V CB -1.038 30.822 31.823 0.062 0.000 0.664 510 V HN 0.580 nan 8.190 nan 0.000 0.453 511 A N 0.051 122.891 122.820 0.033 0.000 1.940 511 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 511 A C 2.349 179.946 177.584 0.021 0.000 1.176 511 A CA 2.016 54.069 52.037 0.026 0.000 0.631 511 A CB -1.418 17.596 19.000 0.024 0.000 0.814 511 A HN 0.657 nan 8.150 nan 0.000 0.446 512 G N -0.226 108.585 108.800 0.018 0.000 2.418 512 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 512 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 512 G C 1.550 176.460 174.900 0.017 0.000 1.158 512 G CA 1.082 46.190 45.100 0.014 0.000 0.771 512 G HN 0.446 nan 8.290 nan 0.000 0.545 513 L N -0.395 120.840 121.223 0.020 0.000 2.093 513 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 513 L C 3.028 179.912 176.870 0.024 0.000 1.085 513 L CA 0.778 55.631 54.840 0.022 0.000 0.755 513 L CB -0.228 41.846 42.059 0.025 0.000 0.904 513 L HN 0.213 nan 8.230 nan 0.000 0.435 514 M N -0.898 118.717 119.600 0.025 0.000 2.349 514 M HA -0.128 4.352 4.480 -0.000 0.000 0.266 514 M C 2.170 178.485 176.300 0.024 0.000 1.076 514 M CA 1.507 56.823 55.300 0.026 0.000 1.126 514 M CB -0.037 32.580 32.600 0.027 0.000 1.392 514 M HN 0.205 nan 8.290 nan 0.000 0.440 515 I N -0.137 120.446 120.570 0.021 0.000 2.439 515 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 515 I C 1.814 177.944 176.117 0.021 0.000 1.139 515 I CA 1.248 62.559 61.300 0.019 0.000 1.438 515 I CB -0.196 37.814 38.000 0.016 0.000 1.085 515 I HN 0.330 nan 8.210 nan 0.000 0.427 516 T N -2.529 112.038 114.554 0.022 0.000 3.272 516 T HA 0.102 4.452 4.350 -0.000 0.000 0.250 516 T C 0.617 175.334 174.700 0.029 0.000 1.082 516 T CA -0.172 61.941 62.100 0.023 0.000 0.968 516 T CB -0.758 68.122 68.868 0.021 0.000 1.015 516 T HN -0.003 nan 8.240 nan 0.000 0.563 517 T N 2.359 116.932 114.554 0.030 0.000 2.780 517 T HA 0.293 4.643 4.350 -0.000 0.000 0.294 517 T C 0.621 175.347 174.700 0.043 0.000 0.949 517 T CA -0.546 61.575 62.100 0.036 0.000 1.074 517 T CB 1.595 70.484 68.868 0.034 0.000 0.910 517 T HN 0.126 nan 8.240 nan 0.000 0.501 518 E N 0.467 120.701 120.200 0.057 0.000 2.421 518 E HA 0.157 4.507 4.350 -0.000 0.000 0.209 518 E C 0.085 176.749 176.600 0.105 0.000 0.871 518 E CA 0.154 56.605 56.400 0.085 0.000 1.064 518 E CB 0.883 30.644 29.700 0.101 0.000 1.075 518 E HN 0.573 nan 8.360 nan 0.000 0.513 519 C N 1.063 120.400 119.300 0.063 0.000 2.609 519 C HA 0.695 5.154 4.460 -0.000 0.000 0.313 519 C C -1.029 173.934 174.990 -0.044 0.000 1.175 519 C CA -0.525 58.474 59.018 -0.031 0.000 1.434 519 C CB 0.184 27.942 27.740 0.031 0.000 2.005 519 C HN 0.153 nan 8.230 nan 0.000 0.471 520 M N 5.380 124.935 119.600 -0.076 0.000 2.326 520 M HA 0.559 5.038 4.480 -0.000 0.000 0.306 520 M C -1.087 175.269 176.300 0.094 0.000 1.054 520 M CA -0.505 54.840 55.300 0.076 0.000 0.922 520 M CB 2.093 34.852 32.600 0.265 0.000 1.632 520 M HN 0.378 nan 8.290 nan 0.000 0.436 521 V N 1.801 121.723 119.914 0.013 0.000 2.407 521 V HA 0.664 4.783 4.120 -0.000 0.000 0.291 521 V C -0.285 175.733 176.094 -0.127 0.000 1.018 521 V CA -0.392 61.885 62.300 -0.038 0.000 0.842 521 V CB 1.772 33.573 31.823 -0.037 0.000 0.996 521 V HN 0.937 nan 8.190 nan 0.000 0.426 522 T N 2.166 116.581 114.554 -0.231 0.000 2.838 522 T HA 0.449 4.799 4.350 -0.000 0.000 0.292 522 T C -1.135 173.434 174.700 -0.218 0.000 1.113 522 T CA -0.546 61.370 62.100 -0.307 0.000 1.008 522 T CB 1.890 70.398 68.868 -0.600 0.000 1.259 522 T HN 0.613 nan 8.240 nan 0.000 0.520 523 D N 1.422 121.714 120.400 -0.179 0.000 2.382 523 D HA 0.307 4.947 4.640 -0.000 0.000 0.240 523 D C -0.137 176.098 176.300 -0.108 0.000 1.146 523 D CA -0.042 53.891 54.000 -0.113 0.000 0.897 523 D CB 0.498 41.246 40.800 -0.086 0.000 1.197 523 D HN 0.336 nan 8.370 nan 0.000 0.432 524 L N 3.682 124.871 121.223 -0.057 0.000 2.367 524 L HA 0.289 4.628 4.340 -0.000 0.000 0.275 524 L C -1.612 175.243 176.870 -0.025 0.000 1.129 524 L CA -0.954 53.869 54.840 -0.028 0.000 0.839 524 L CB 0.200 42.255 42.059 -0.006 0.000 1.133 524 L HN 0.375 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 525 P CB 0.000 31.706 31.700 0.010 0.000 0.726