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 2eu1_1_K DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEK 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 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 3 A N 1.601 124.418 122.820 -0.005 0.000 2.524 3 A HA 0.525 4.845 4.320 0.000 0.000 0.250 3 A C 0.288 177.867 177.584 -0.008 0.000 1.078 3 A CA 0.345 52.382 52.037 -0.000 0.000 0.761 3 A CB -0.184 18.818 19.000 0.004 0.000 1.012 3 A HN 0.593 nan 8.150 nan 0.000 0.500 4 K N 1.491 121.889 120.400 -0.004 0.000 2.168 4 K HA 0.466 4.786 4.320 0.000 0.000 0.239 4 K C -0.999 175.605 176.600 0.007 0.000 0.999 4 K CA -0.705 55.573 56.287 -0.015 0.000 0.900 4 K CB 1.186 33.676 32.500 -0.016 0.000 1.111 4 K HN 0.711 nan 8.250 nan 0.000 0.452 5 D N 0.704 121.106 120.400 0.003 0.000 2.391 5 D HA 0.343 4.983 4.640 0.000 0.000 0.245 5 D C -1.389 175.005 176.300 0.156 0.000 1.069 5 D CA -0.600 53.451 54.000 0.086 0.000 0.831 5 D CB 1.367 42.226 40.800 0.098 0.000 1.204 5 D HN 0.041 nan 8.370 nan 0.000 0.503 6 V N 4.632 124.624 119.914 0.129 0.000 2.444 6 V HA 0.395 4.515 4.120 0.000 0.000 0.294 6 V C 0.214 176.233 176.094 -0.125 0.000 1.022 6 V CA -0.785 61.512 62.300 -0.005 0.000 0.850 6 V CB 1.677 33.445 31.823 -0.092 0.000 0.992 6 V HN 0.367 nan 8.190 nan 0.000 0.426 7 K N 3.708 123.942 120.400 -0.277 0.000 2.156 7 K HA 0.715 5.035 4.320 0.000 0.000 0.254 7 K C -1.470 174.811 176.600 -0.532 0.000 0.950 7 K CA -0.504 55.549 56.287 -0.391 0.000 0.849 7 K CB 2.157 34.222 32.500 -0.725 0.000 1.100 7 K HN 0.426 nan 8.250 nan 0.000 0.434 8 F N 0.001 119.895 119.950 -0.092 0.000 2.561 8 F HA 0.359 4.886 4.527 0.000 0.000 0.321 8 F C 1.177 176.941 175.800 -0.061 0.000 1.065 8 F CA 0.033 57.999 58.000 -0.056 0.000 0.934 8 F CB 1.674 40.655 39.000 -0.031 0.000 1.215 8 F HN 0.838 nan 8.300 nan 0.000 0.471 9 G N 2.462 111.382 108.800 0.201 0.000 2.549 9 G HA2 -0.442 3.518 3.960 0.000 0.000 0.338 9 G HA3 -0.442 3.518 3.960 0.000 0.000 0.338 9 G C 1.296 176.214 174.900 0.029 0.000 1.342 9 G CA 0.690 45.846 45.100 0.095 0.000 0.935 9 G HN 0.850 nan 8.290 nan 0.000 0.534 10 N N 0.050 118.762 118.700 0.019 0.000 2.171 10 N HA -0.293 4.447 4.740 0.000 0.000 0.200 10 N C 1.752 177.247 175.510 -0.025 0.000 0.991 10 N CA 2.763 55.811 53.050 -0.003 0.000 0.906 10 N CB -0.385 38.102 38.487 -0.000 0.000 1.060 10 N HN 0.637 nan 8.380 nan 0.000 0.510 11 D N 0.033 120.416 120.400 -0.029 0.000 2.092 11 D HA -0.069 4.571 4.640 0.000 0.000 0.193 11 D C 1.754 177.971 176.300 -0.138 0.000 0.994 11 D CA 1.790 55.748 54.000 -0.070 0.000 0.828 11 D CB -0.532 40.233 40.800 -0.059 0.000 0.963 11 D HN 0.403 nan 8.370 nan 0.000 0.450 12 A N 0.132 122.855 122.820 -0.163 0.000 2.070 12 A HA -0.140 4.180 4.320 0.000 0.000 0.220 12 A C 2.271 179.771 177.584 -0.139 0.000 1.159 12 A CA 1.148 53.038 52.037 -0.245 0.000 0.656 12 A CB -0.332 18.534 19.000 -0.223 0.000 0.800 12 A HN 0.215 nan 8.150 nan 0.000 0.453 13 R N -0.617 119.838 120.500 -0.076 0.000 2.057 13 R HA -0.045 4.295 4.340 0.000 0.000 0.224 13 R C 2.167 178.446 176.300 -0.035 0.000 1.136 13 R CA 1.329 57.406 56.100 -0.039 0.000 0.968 13 R CB -0.700 29.589 30.300 -0.019 0.000 0.863 13 R HN 0.535 nan 8.270 nan 0.000 0.433 14 V N 0.229 120.119 119.914 -0.040 0.000 2.660 14 V HA -0.212 3.908 4.120 0.000 0.000 0.257 14 V C 1.818 177.895 176.094 -0.028 0.000 1.088 14 V CA 1.612 63.895 62.300 -0.029 0.000 1.106 14 V CB -0.468 31.337 31.823 -0.030 0.000 0.686 14 V HN 0.168 nan 8.190 nan 0.000 0.481 15 K N -0.220 120.151 120.400 -0.049 0.000 2.076 15 K HA 0.101 4.421 4.320 0.000 0.000 0.204 15 K C 2.238 178.846 176.600 0.014 0.000 1.051 15 K CA 1.686 57.958 56.287 -0.025 0.000 0.949 15 K CB -0.279 32.178 32.500 -0.072 0.000 0.726 15 K HN 0.495 nan 8.250 nan 0.000 0.443 16 M N 0.678 120.284 119.600 0.010 0.000 2.149 16 M HA -0.195 4.285 4.480 0.000 0.000 0.261 16 M C 2.244 178.555 176.300 0.018 0.000 1.064 16 M CA 1.144 56.460 55.300 0.027 0.000 1.102 16 M CB -0.332 32.281 32.600 0.021 0.000 1.369 16 M HN 0.066 nan 8.290 nan 0.000 0.408 17 L N 0.622 121.850 121.223 0.008 0.000 1.988 17 L HA -0.142 4.198 4.340 0.000 0.000 0.207 17 L C 2.346 179.220 176.870 0.008 0.000 1.071 17 L CA 1.904 56.747 54.840 0.006 0.000 0.744 17 L CB -0.655 41.405 42.059 0.001 0.000 0.893 17 L HN 0.138 nan 8.230 nan 0.000 0.433 18 R N -0.516 119.989 120.500 0.007 0.000 2.211 18 R HA -0.157 4.183 4.340 0.000 0.000 0.240 18 R C 2.023 178.331 176.300 0.014 0.000 1.144 18 R CA 1.012 57.118 56.100 0.009 0.000 0.992 18 R CB -0.761 29.544 30.300 0.010 0.000 0.869 18 R HN 0.649 nan 8.270 nan 0.000 0.462 19 G N -0.047 108.765 108.800 0.019 0.000 2.439 19 G HA2 -0.187 3.773 3.960 0.000 0.000 0.212 19 G HA3 -0.187 3.773 3.960 0.000 0.000 0.212 19 G C 1.246 176.154 174.900 0.013 0.000 1.199 19 G CA 0.320 45.432 45.100 0.021 0.000 0.807 19 G HN 0.221 nan 8.290 nan 0.000 0.537 20 V N 1.377 121.299 119.914 0.013 0.000 2.794 20 V HA -0.175 3.945 4.120 0.000 0.000 0.260 20 V C 2.284 178.381 176.094 0.006 0.000 1.103 20 V CA 2.227 64.533 62.300 0.009 0.000 1.125 20 V CB -0.517 31.312 31.823 0.010 0.000 0.702 20 V HN 0.292 nan 8.190 nan 0.000 0.494 21 N N -0.020 118.683 118.700 0.006 0.000 2.148 21 N HA -0.075 4.665 4.740 0.000 0.000 0.186 21 N C 1.794 177.306 175.510 0.003 0.000 1.031 21 N CA 1.711 54.763 53.050 0.004 0.000 0.848 21 N CB -0.435 38.054 38.487 0.004 0.000 1.005 21 N HN 0.425 nan 8.380 nan 0.000 0.427 22 V N 2.240 122.156 119.914 0.003 0.000 2.370 22 V HA -0.230 3.890 4.120 0.000 0.000 0.252 22 V C 2.401 178.494 176.094 -0.001 0.000 1.068 22 V CA 1.291 63.592 62.300 0.001 0.000 1.061 22 V CB -0.620 31.205 31.823 0.002 0.000 0.656 22 V HN 0.198 nan 8.190 nan 0.000 0.455 23 L N 0.908 122.131 121.223 -0.000 0.000 1.937 23 L HA -0.045 4.295 4.340 0.000 0.000 0.213 23 L C 2.537 179.406 176.870 -0.003 0.000 1.077 23 L CA 2.523 57.361 54.840 -0.003 0.000 0.758 23 L CB -1.411 40.646 42.059 -0.003 0.000 0.888 23 L HN 0.195 nan 8.230 nan 0.000 0.433 24 A N -0.492 122.327 122.820 -0.001 0.000 1.896 24 A HA -0.327 3.993 4.320 0.000 0.000 0.220 24 A C 2.029 179.612 177.584 -0.001 0.000 1.206 24 A CA 2.376 54.413 52.037 -0.001 0.000 0.647 24 A CB -1.341 17.660 19.000 0.002 0.000 0.828 24 A HN 0.705 nan 8.150 nan 0.000 0.455 25 D N -0.337 120.062 120.400 -0.001 0.000 2.182 25 D HA -0.083 4.557 4.640 0.000 0.000 0.201 25 D C 2.127 178.426 176.300 -0.003 0.000 0.986 25 D CA 1.505 55.504 54.000 -0.001 0.000 0.847 25 D CB -0.297 40.502 40.800 -0.001 0.000 0.942 25 D HN 0.514 nan 8.370 nan 0.000 0.467 26 A N 0.464 123.282 122.820 -0.004 0.000 1.878 26 A HA -0.045 4.275 4.320 0.000 0.000 0.213 26 A C 2.348 179.929 177.584 -0.006 0.000 1.192 26 A CA 0.677 52.711 52.037 -0.005 0.000 0.619 26 A CB -0.627 18.369 19.000 -0.006 0.000 0.837 26 A HN 0.163 nan 8.150 nan 0.000 0.446 27 V N 1.206 121.116 119.914 -0.006 0.000 2.667 27 V HA -0.194 3.926 4.120 0.000 0.000 0.252 27 V C 2.444 178.534 176.094 -0.006 0.000 1.065 27 V CA 2.477 64.773 62.300 -0.007 0.000 1.083 27 V CB -0.554 31.264 31.823 -0.009 0.000 0.692 27 V HN 0.813 nan 8.190 nan 0.000 0.468 28 K N 0.460 120.858 120.400 -0.004 0.000 2.167 28 K HA -0.031 4.289 4.320 0.000 0.000 0.203 28 K C 1.761 178.359 176.600 -0.003 0.000 1.052 28 K CA 1.573 57.859 56.287 -0.003 0.000 0.956 28 K CB -0.808 31.691 32.500 -0.001 0.000 0.735 28 K HN 0.447 nan 8.250 nan 0.000 0.451 29 V N -0.637 119.275 119.914 -0.003 0.000 3.244 29 V HA -0.165 3.955 4.120 0.000 0.000 0.273 29 V C 1.893 177.986 176.094 -0.003 0.000 1.180 29 V CA 2.058 64.356 62.300 -0.003 0.000 1.182 29 V CB -1.049 30.772 31.823 -0.003 0.000 0.796 29 V HN 0.481 nan 8.190 nan 0.000 0.543 30 T N 0.319 114.871 114.554 -0.004 0.000 2.983 30 T HA 0.238 4.588 4.350 0.000 0.000 0.250 30 T C 0.866 175.563 174.700 -0.005 0.000 1.037 30 T CA 0.516 62.613 62.100 -0.005 0.000 1.142 30 T CB -0.314 68.550 68.868 -0.007 0.000 0.876 30 T HN 0.718 nan 8.240 nan 0.000 0.455 31 L N 1.173 122.394 121.223 -0.004 0.000 2.479 31 L HA 0.548 4.888 4.340 0.000 0.000 0.270 31 L C 0.405 177.273 176.870 -0.002 0.000 1.236 31 L CA 0.786 55.624 54.840 -0.003 0.000 0.823 31 L CB -0.334 41.724 42.059 -0.002 0.000 1.098 31 L HN 0.422 nan 8.230 nan 0.000 0.500 32 G N 1.688 110.487 108.800 -0.003 0.000 2.662 32 G HA2 -0.081 3.879 3.960 0.000 0.000 0.686 32 G HA3 -0.081 3.879 3.960 0.000 0.000 0.686 32 G C -2.061 172.834 174.900 -0.007 0.000 1.271 32 G CA -0.260 44.838 45.100 -0.002 0.000 0.816 32 G HN 0.748 nan 8.290 nan 0.000 0.608 33 P HA 0.090 nan 4.420 nan 0.000 0.224 33 P C 0.748 178.040 177.300 -0.014 0.000 1.157 33 P CA 0.988 64.076 63.100 -0.019 0.000 0.799 33 P CB 0.223 31.903 31.700 -0.033 0.000 0.809 34 K N 0.720 121.115 120.400 -0.007 0.000 2.981 34 K HA 0.328 4.648 4.320 0.000 0.000 0.213 34 K C 0.801 177.400 176.600 -0.002 0.000 1.154 34 K CA -0.390 55.895 56.287 -0.004 0.000 1.111 34 K CB 0.634 33.135 32.500 0.001 0.000 0.975 34 K HN 0.017 nan 8.250 nan 0.000 0.462 35 G N 1.109 109.907 108.800 -0.004 0.000 2.527 35 G HA2 0.115 4.075 3.960 0.000 0.000 0.248 35 G HA3 0.115 4.075 3.960 0.000 0.000 0.248 35 G C 0.127 175.024 174.900 -0.004 0.000 1.231 35 G CA -0.511 44.587 45.100 -0.003 0.000 0.838 35 G HN 0.147 nan 8.290 nan 0.000 0.570 36 R N 0.539 121.037 120.500 -0.003 0.000 2.549 36 R HA 0.268 4.608 4.340 0.000 0.000 0.259 36 R C 0.012 176.309 176.300 -0.004 0.000 1.095 36 R CA -0.839 55.258 56.100 -0.003 0.000 1.148 36 R CB 0.201 30.500 30.300 -0.003 0.000 1.181 36 R HN 0.632 nan 8.270 nan 0.000 0.571 37 N N -1.065 117.633 118.700 -0.005 0.000 2.495 37 N HA 0.419 5.159 4.740 0.000 0.000 0.280 37 N C -1.045 174.461 175.510 -0.006 0.000 1.168 37 N CA -0.545 52.502 53.050 -0.005 0.000 0.978 37 N CB 1.301 39.785 38.487 -0.005 0.000 1.191 37 N HN 0.095 nan 8.380 nan 0.000 0.497 38 V N 1.252 121.162 119.914 -0.006 0.000 2.525 38 V HA 0.294 4.414 4.120 0.000 0.000 0.299 38 V C -0.485 175.604 176.094 -0.008 0.000 1.034 38 V CA -0.894 61.402 62.300 -0.007 0.000 0.863 38 V CB 1.643 33.461 31.823 -0.008 0.000 0.999 38 V HN 0.338 nan 8.190 nan 0.000 0.423 39 V N 6.357 126.266 119.914 -0.008 0.000 2.461 39 V HA 0.384 4.504 4.120 0.000 0.000 0.275 39 V C -0.026 176.062 176.094 -0.010 0.000 1.047 39 V CA -0.245 62.050 62.300 -0.009 0.000 0.955 39 V CB 1.222 33.039 31.823 -0.009 0.000 0.988 39 V HN 0.645 nan 8.190 nan 0.000 0.471 40 L N 4.135 125.352 121.223 -0.010 0.000 2.295 40 L HA 0.442 4.782 4.340 0.000 0.000 0.281 40 L C -0.067 176.796 176.870 -0.012 0.000 1.018 40 L CA -0.570 54.263 54.840 -0.011 0.000 0.841 40 L CB 1.360 43.413 42.059 -0.010 0.000 1.218 40 L HN 0.579 nan 8.230 nan 0.000 0.424 41 D N 3.385 123.775 120.400 -0.017 0.000 2.443 41 D HA 0.029 4.669 4.640 0.000 0.000 0.239 41 D C -0.176 176.114 176.300 -0.018 0.000 1.136 41 D CA 0.446 54.434 54.000 -0.021 0.000 0.879 41 D CB 0.883 41.664 40.800 -0.032 0.000 1.195 41 D HN 0.362 nan 8.370 nan 0.000 0.443 42 K N 2.634 123.026 120.400 -0.014 0.000 2.572 42 K HA 0.211 4.531 4.320 0.000 0.000 0.244 42 K C 0.885 177.488 176.600 0.004 0.000 0.965 42 K CA -0.188 56.099 56.287 0.000 0.000 0.943 42 K CB 0.443 32.951 32.500 0.013 0.000 1.154 42 K HN 0.691 nan 8.250 nan 0.000 0.447 43 S N 3.187 118.883 115.700 -0.007 0.000 2.210 43 S HA -0.325 4.145 4.470 0.000 0.000 0.532 43 S C 0.376 174.941 174.600 -0.059 0.000 0.925 43 S CA 1.345 59.536 58.200 -0.016 0.000 3.340 43 S CB -1.046 62.193 63.200 0.065 0.000 2.327 43 S HN 0.506 nan 8.310 nan 0.000 0.565 44 F N 3.295 123.242 119.950 -0.004 0.000 2.449 44 F HA 0.696 5.223 4.527 0.000 0.000 0.342 44 F C 1.002 176.799 175.800 -0.004 0.000 1.127 44 F CA 0.706 58.704 58.000 -0.004 0.000 0.975 44 F CB 1.589 40.587 39.000 -0.004 0.000 1.146 44 F HN 1.020 nan 8.300 nan 0.000 0.444 45 G N 1.801 110.732 108.800 0.218 0.000 2.278 45 G HA2 0.444 4.404 3.960 0.000 0.000 0.265 45 G HA3 0.444 4.404 3.960 0.000 0.000 0.265 45 G C -1.961 172.979 174.900 0.066 0.000 1.329 45 G CA -0.399 44.777 45.100 0.128 0.000 1.017 45 G HN 0.895 nan 8.290 nan 0.000 0.472 46 A N 0.493 123.339 122.820 0.044 0.000 2.305 46 A HA 0.883 5.203 4.320 0.000 0.000 0.322 46 A C -1.794 175.798 177.584 0.014 0.000 1.187 46 A CA -1.013 51.038 52.037 0.024 0.000 0.825 46 A CB 0.328 19.341 19.000 0.021 0.000 1.164 46 A HN 0.601 nan 8.150 nan 0.000 0.498 47 P HA 0.120 nan 4.420 nan 0.000 0.270 47 P C -0.246 177.055 177.300 0.001 0.000 1.216 47 P CA 0.431 63.530 63.100 -0.002 0.000 0.788 47 P CB 0.326 32.022 31.700 -0.007 0.000 0.883 48 T N 1.675 116.228 114.554 -0.001 0.000 2.779 48 T HA 0.538 4.888 4.350 0.000 0.000 0.280 48 T C 0.072 174.770 174.700 -0.004 0.000 0.987 48 T CA -0.320 61.779 62.100 -0.001 0.000 0.966 48 T CB 0.233 69.100 68.868 -0.002 0.000 0.933 48 T HN 0.162 nan 8.240 nan 0.000 0.442 49 I N 2.841 123.409 120.570 -0.003 0.000 2.330 49 I HA 0.474 4.644 4.170 0.000 0.000 0.289 49 I C 0.397 176.512 176.117 -0.005 0.000 1.001 49 I CA -0.426 60.871 61.300 -0.004 0.000 1.193 49 I CB 1.659 39.657 38.000 -0.003 0.000 1.345 49 I HN 0.499 nan 8.210 nan 0.000 0.461 50 T N 4.705 119.255 114.554 -0.006 0.000 2.896 50 T HA 0.409 4.759 4.350 0.000 0.000 0.297 50 T C 0.046 174.741 174.700 -0.007 0.000 1.108 50 T CA -0.530 61.566 62.100 -0.006 0.000 1.004 50 T CB 1.764 70.628 68.868 -0.007 0.000 1.159 50 T HN 0.627 nan 8.240 nan 0.000 0.499 51 K N 1.379 121.775 120.400 -0.007 0.000 2.506 51 K HA 0.193 4.513 4.320 0.000 0.000 0.204 51 K C -0.786 175.809 176.600 -0.009 0.000 1.045 51 K CA -0.177 56.106 56.287 -0.008 0.000 1.074 51 K CB 0.541 33.037 32.500 -0.007 0.000 0.842 51 K HN 0.460 nan 8.250 nan 0.000 0.514 52 D N 0.002 120.396 120.400 -0.010 0.000 2.411 52 D HA 0.117 4.757 4.640 0.000 0.000 0.225 52 D C 1.234 177.526 176.300 -0.013 0.000 1.156 52 D CA -0.124 53.869 54.000 -0.012 0.000 0.874 52 D CB 1.178 41.970 40.800 -0.013 0.000 1.034 52 D HN 0.206 nan 8.370 nan 0.000 0.502 53 G N 2.384 111.176 108.800 -0.013 0.000 2.462 53 G HA2 -0.228 3.732 3.960 0.000 0.000 0.220 53 G HA3 -0.228 3.732 3.960 0.000 0.000 0.220 53 G C 1.430 176.319 174.900 -0.018 0.000 1.121 53 G CA 0.925 46.017 45.100 -0.014 0.000 0.758 53 G HN 0.490 nan 8.290 nan 0.000 0.559 54 V N 0.838 120.739 119.914 -0.021 0.000 2.427 54 V HA -0.156 3.964 4.120 0.000 0.000 0.248 54 V C 2.942 179.021 176.094 -0.024 0.000 1.051 54 V CA 2.133 64.418 62.300 -0.026 0.000 1.048 54 V CB -0.629 31.176 31.823 -0.030 0.000 0.666 54 V HN 0.334 nan 8.190 nan 0.000 0.456 55 S N 0.001 115.689 115.700 -0.021 0.000 2.371 55 S HA -0.091 4.379 4.470 0.000 0.000 0.224 55 S C 2.058 176.647 174.600 -0.018 0.000 1.029 55 S CA 1.165 59.353 58.200 -0.019 0.000 0.978 55 S CB -0.097 63.093 63.200 -0.016 0.000 0.833 55 S HN 0.363 nan 8.310 nan 0.000 0.466 56 V N 2.068 121.972 119.914 -0.016 0.000 2.469 56 V HA -0.211 3.909 4.120 0.000 0.000 0.251 56 V C 2.562 178.646 176.094 -0.016 0.000 1.064 56 V CA 1.740 64.031 62.300 -0.015 0.000 1.066 56 V CB -1.039 30.776 31.823 -0.013 0.000 0.667 56 V HN 0.544 nan 8.190 nan 0.000 0.461 57 A N -0.296 122.512 122.820 -0.019 0.000 1.897 57 A HA -0.178 4.142 4.320 0.000 0.000 0.215 57 A C 2.379 179.950 177.584 -0.023 0.000 1.181 57 A CA 1.503 53.528 52.037 -0.020 0.000 0.620 57 A CB -0.543 18.443 19.000 -0.023 0.000 0.821 57 A HN 0.453 nan 8.150 nan 0.000 0.443 58 R N -0.274 120.210 120.500 -0.026 0.000 2.139 58 R HA -0.181 4.159 4.340 0.000 0.000 0.243 58 R C 1.479 177.763 176.300 -0.026 0.000 1.145 58 R CA 1.780 57.863 56.100 -0.029 0.000 0.976 58 R CB -0.098 30.184 30.300 -0.030 0.000 0.866 58 R HN 0.470 nan 8.270 nan 0.000 0.449 59 E N 0.149 120.336 120.200 -0.022 0.000 2.250 59 E HA -0.006 4.344 4.350 0.000 0.000 0.192 59 E C 0.568 177.157 176.600 -0.018 0.000 0.986 59 E CA 0.073 56.461 56.400 -0.019 0.000 0.849 59 E CB 0.125 29.814 29.700 -0.017 0.000 0.797 59 E HN 0.229 nan 8.360 nan 0.000 0.482 60 I N 1.823 122.383 120.570 -0.017 0.000 2.752 60 I HA -0.004 4.166 4.170 0.000 0.000 0.287 60 I C 0.544 176.652 176.117 -0.015 0.000 1.188 60 I CA 0.651 61.943 61.300 -0.014 0.000 1.427 60 I CB 0.042 38.035 38.000 -0.012 0.000 1.365 60 I HN 0.056 nan 8.210 nan 0.000 0.585 61 E N 6.192 126.385 120.200 -0.013 0.000 2.782 61 E HA 0.227 4.577 4.350 0.000 0.000 0.372 61 E C -1.596 174.997 176.600 -0.011 0.000 0.944 61 E CA -0.385 56.007 56.400 -0.014 0.000 0.749 61 E CB 0.698 30.388 29.700 -0.017 0.000 1.453 61 E HN 0.440 nan 8.360 nan 0.000 0.402 62 L N 2.719 123.937 121.223 -0.007 0.000 2.475 62 L HA 0.265 4.605 4.340 0.000 0.000 0.253 62 L C 1.789 178.655 176.870 -0.007 0.000 1.198 62 L CA 0.010 54.848 54.840 -0.003 0.000 0.814 62 L CB 0.508 42.570 42.059 0.005 0.000 1.134 62 L HN 0.690 nan 8.230 nan 0.000 0.478 63 E N 0.326 120.525 120.200 -0.003 0.000 2.051 63 E HA -0.159 4.191 4.350 0.000 0.000 0.189 63 E C 0.567 177.164 176.600 -0.006 0.000 0.979 63 E CA 0.241 56.637 56.400 -0.007 0.000 0.803 63 E CB 0.226 29.924 29.700 -0.003 0.000 0.761 63 E HN 0.651 nan 8.360 nan 0.000 0.451 64 D N 1.121 121.528 120.400 0.013 0.000 2.389 64 D HA -0.076 4.565 4.640 0.000 0.000 0.263 64 D C 0.686 176.989 176.300 0.006 0.000 1.255 64 D CA 0.023 54.042 54.000 0.032 0.000 0.914 64 D CB 0.769 41.615 40.800 0.077 0.000 1.116 64 D HN 0.087 nan 8.370 nan 0.000 0.502 65 K N 3.685 124.041 120.400 -0.074 0.000 2.163 65 K HA -0.228 4.092 4.320 0.000 0.000 0.210 65 K C 1.757 178.228 176.600 -0.215 0.000 1.048 65 K CA 1.357 57.528 56.287 -0.193 0.000 0.928 65 K CB -0.477 31.817 32.500 -0.345 0.000 0.716 65 K HN 0.458 nan 8.250 nan 0.000 0.459 66 F N 1.524 121.461 119.950 -0.023 0.000 2.074 66 F HA -0.020 4.507 4.527 0.000 0.000 0.290 66 F C 2.592 178.379 175.800 -0.022 0.000 1.118 66 F CA 0.938 58.921 58.000 -0.027 0.000 1.199 66 F CB -0.762 38.221 39.000 -0.029 0.000 1.012 66 F HN 0.041 nan 8.300 nan 0.000 0.472 67 E N 0.159 120.475 120.200 0.194 0.000 2.136 67 E HA -0.341 4.009 4.350 0.000 0.000 0.202 67 E C 1.883 178.518 176.600 0.058 0.000 1.019 67 E CA 1.729 58.187 56.400 0.096 0.000 0.819 67 E CB -0.469 29.271 29.700 0.067 0.000 0.739 67 E HN 0.321 nan 8.360 nan 0.000 0.458 68 N N 0.563 119.285 118.700 0.037 0.000 2.036 68 N HA -0.203 4.537 4.740 0.000 0.000 0.195 68 N C 1.779 177.294 175.510 0.009 0.000 1.037 68 N CA 1.713 54.769 53.050 0.009 0.000 0.855 68 N CB -0.091 38.388 38.487 -0.014 0.000 1.033 68 N HN 0.085 nan 8.380 nan 0.000 0.423 69 M N -0.579 119.029 119.600 0.013 0.000 2.106 69 M HA -0.110 4.370 4.480 0.000 0.000 0.259 69 M C 2.240 178.556 176.300 0.026 0.000 1.068 69 M CA 1.905 57.214 55.300 0.015 0.000 1.100 69 M CB -0.779 31.840 32.600 0.031 0.000 1.351 69 M HN 0.371 nan 8.290 nan 0.000 0.404 70 G N -0.233 108.592 108.800 0.042 0.000 2.446 70 G HA2 -0.149 3.811 3.960 0.000 0.000 0.217 70 G HA3 -0.149 3.811 3.960 0.000 0.000 0.217 70 G C 1.571 176.482 174.900 0.019 0.000 1.168 70 G CA 1.003 46.123 45.100 0.033 0.000 0.771 70 G HN 0.575 nan 8.290 nan 0.000 0.551 71 A N -0.686 122.143 122.820 0.015 0.000 2.119 71 A HA 0.119 4.439 4.320 0.000 0.000 0.216 71 A C 2.301 179.885 177.584 -0.001 0.000 1.152 71 A CA 1.258 53.298 52.037 0.006 0.000 0.708 71 A CB -0.103 18.900 19.000 0.004 0.000 0.805 71 A HN 0.305 nan 8.150 nan 0.000 0.460 72 Q N -0.904 118.895 119.800 -0.001 0.000 2.269 72 Q HA 0.094 4.434 4.340 0.000 0.000 0.201 72 Q C 1.949 177.944 176.000 -0.008 0.000 0.946 72 Q CA 0.859 56.657 55.803 -0.008 0.000 0.877 72 Q CB -0.181 28.551 28.738 -0.011 0.000 0.963 72 Q HN 0.757 nan 8.270 nan 0.000 0.472 73 M N -0.120 119.480 119.600 -0.000 0.000 2.098 73 M HA -0.104 4.376 4.480 0.000 0.000 0.262 73 M C 2.164 178.463 176.300 -0.002 0.000 1.072 73 M CA 1.204 56.505 55.300 0.001 0.000 1.133 73 M CB -0.301 32.306 32.600 0.011 0.000 1.344 73 M HN 0.093 nan 8.290 nan 0.000 0.414 74 V N -0.746 119.169 119.914 0.002 0.000 3.078 74 V HA -0.173 3.947 4.120 0.000 0.000 0.265 74 V C 1.794 177.880 176.094 -0.013 0.000 1.122 74 V CA 1.739 64.040 62.300 0.001 0.000 1.141 74 V CB -0.795 31.032 31.823 0.007 0.000 0.735 74 V HN 0.455 nan 8.190 nan 0.000 0.498 75 K N 0.112 120.501 120.400 -0.019 0.000 2.211 75 K HA -0.040 4.280 4.320 0.000 0.000 0.201 75 K C 2.212 178.784 176.600 -0.047 0.000 1.052 75 K CA 0.963 57.232 56.287 -0.030 0.000 0.973 75 K CB -0.104 32.381 32.500 -0.025 0.000 0.766 75 K HN 0.698 nan 8.250 nan 0.000 0.466 76 E N 0.742 120.917 120.200 -0.042 0.000 2.017 76 E HA -0.184 4.166 4.350 0.000 0.000 0.193 76 E C 1.966 178.509 176.600 -0.096 0.000 0.997 76 E CA 1.877 58.244 56.400 -0.056 0.000 0.804 76 E CB -0.086 29.593 29.700 -0.036 0.000 0.757 76 E HN 0.199 nan 8.360 nan 0.000 0.448 77 V N -0.032 119.829 119.914 -0.088 0.000 2.237 77 V HA -0.143 3.977 4.120 0.000 0.000 0.245 77 V C 2.473 178.424 176.094 -0.238 0.000 1.046 77 V CA 2.224 64.430 62.300 -0.156 0.000 1.007 77 V CB -1.369 30.439 31.823 -0.026 0.000 0.638 77 V HN 0.334 nan 8.190 nan 0.000 0.445 78 A N 0.097 122.848 122.820 -0.116 0.000 2.093 78 A HA -0.264 4.056 4.320 0.000 0.000 0.222 78 A C 2.566 180.065 177.584 -0.142 0.000 1.162 78 A CA 2.706 54.686 52.037 -0.096 0.000 0.655 78 A CB -1.128 17.846 19.000 -0.043 0.000 0.805 78 A HN 0.852 nan 8.150 nan 0.000 0.461 79 S N -0.327 115.277 115.700 -0.160 0.000 2.345 79 S HA -0.155 4.315 4.470 0.000 0.000 0.219 79 S C 1.909 176.379 174.600 -0.217 0.000 1.031 79 S CA 1.468 59.580 58.200 -0.148 0.000 0.984 79 S CB -0.337 62.794 63.200 -0.114 0.000 0.874 79 S HN 0.629 nan 8.310 nan 0.000 0.451 80 K N 1.066 121.257 120.400 -0.349 0.000 2.366 80 K HA -0.111 4.209 4.320 0.000 0.000 0.202 80 K C 2.140 178.463 176.600 -0.460 0.000 1.045 80 K CA 1.084 57.084 56.287 -0.478 0.000 0.934 80 K CB -0.347 31.668 32.500 -0.809 0.000 0.746 80 K HN 0.488 nan 8.250 nan 0.000 0.470 81 A N 1.571 124.163 122.820 -0.381 0.000 1.874 81 A HA -0.157 4.163 4.320 0.000 0.000 0.214 81 A C 1.926 179.484 177.584 -0.044 0.000 1.189 81 A CA 1.501 53.489 52.037 -0.081 0.000 0.615 81 A CB -0.538 18.469 19.000 0.011 0.000 0.830 81 A HN 0.264 nan 8.150 nan 0.000 0.443 82 N N 0.264 118.916 118.700 -0.080 0.000 2.272 82 N HA -0.132 4.608 4.740 0.000 0.000 0.185 82 N C 0.808 176.264 175.510 -0.089 0.000 1.014 82 N CA 1.527 54.531 53.050 -0.075 0.000 0.870 82 N CB -0.118 38.321 38.487 -0.080 0.000 0.975 82 N HN 0.423 nan 8.380 nan 0.000 0.433 83 D N -1.153 119.195 120.400 -0.087 0.000 2.348 83 D HA 0.092 4.732 4.640 0.000 0.000 0.211 83 D C 1.368 177.652 176.300 -0.027 0.000 0.998 83 D CA 0.410 54.367 54.000 -0.071 0.000 0.873 83 D CB 0.146 40.902 40.800 -0.073 0.000 0.925 83 D HN 0.367 nan 8.370 nan 0.000 0.524 84 A N 0.578 123.402 122.820 0.006 0.000 1.911 84 A HA 0.354 4.674 4.320 0.000 0.000 0.212 84 A C 1.929 179.545 177.584 0.053 0.000 1.189 84 A CA 1.191 53.264 52.037 0.061 0.000 0.639 84 A CB 0.206 19.292 19.000 0.143 0.000 0.839 84 A HN 0.168 nan 8.150 nan 0.000 0.449 85 A N -2.442 120.399 122.820 0.034 0.000 2.551 85 A HA 0.480 4.800 4.320 0.000 0.000 0.252 85 A C 1.402 178.985 177.584 -0.002 0.000 1.199 85 A CA 0.981 53.041 52.037 0.038 0.000 0.972 85 A CB -0.213 18.814 19.000 0.044 0.000 1.153 85 A HN 1.871 nan 8.150 nan 0.000 0.559 86 G N -0.501 108.252 108.800 -0.079 0.000 2.160 86 G HA2 -0.105 3.855 3.960 0.000 0.000 0.244 86 G HA3 -0.105 3.855 3.960 0.000 0.000 0.244 86 G C -0.278 174.565 174.900 -0.096 0.000 1.022 86 G CA 0.744 45.736 45.100 -0.180 0.000 0.741 86 G HN 0.977 nan 8.290 nan 0.000 0.508 87 D N -3.338 117.031 120.400 -0.053 0.000 2.993 87 D HA 0.545 5.185 4.640 0.000 0.000 0.284 87 D C 0.729 177.023 176.300 -0.010 0.000 1.172 87 D CA 1.134 55.116 54.000 -0.030 0.000 0.729 87 D CB -0.303 40.488 40.800 -0.016 0.000 1.270 87 D HN 1.511 nan 8.370 nan 0.000 0.436 88 G N -0.324 108.473 108.800 -0.005 0.000 2.131 88 G HA2 -0.230 3.730 3.960 0.000 0.000 0.201 88 G HA3 -0.230 3.730 3.960 0.000 0.000 0.201 88 G C 0.816 175.719 174.900 0.004 0.000 1.000 88 G CA 0.722 45.827 45.100 0.009 0.000 0.680 88 G HN 0.494 nan 8.290 nan 0.000 0.514 89 T N 0.510 115.056 114.554 -0.014 0.000 2.735 89 T HA -0.025 4.325 4.350 0.000 0.000 0.256 89 T C 2.566 177.259 174.700 -0.012 0.000 1.042 89 T CA 2.100 64.187 62.100 -0.022 0.000 1.147 89 T CB -0.449 68.397 68.868 -0.036 0.000 0.865 89 T HN 0.347 nan 8.240 nan 0.000 0.421 90 T N 2.238 116.785 114.554 -0.011 0.000 2.778 90 T HA -0.134 4.216 4.350 0.000 0.000 0.269 90 T C 2.157 176.857 174.700 0.000 0.000 1.050 90 T CA 1.692 63.788 62.100 -0.007 0.000 1.137 90 T CB -0.677 68.187 68.868 -0.007 0.000 0.860 90 T HN 0.427 nan 8.240 nan 0.000 0.468 91 T N 1.958 116.515 114.554 0.005 0.000 2.732 91 T HA 0.052 4.402 4.350 0.000 0.000 0.261 91 T C 2.491 177.202 174.700 0.019 0.000 1.040 91 T CA 1.047 63.154 62.100 0.012 0.000 1.145 91 T CB -0.622 68.256 68.868 0.016 0.000 0.866 91 T HN 0.434 nan 8.240 nan 0.000 0.427 92 A N 1.530 124.365 122.820 0.026 0.000 1.940 92 A HA -0.143 4.177 4.320 0.000 0.000 0.219 92 A C 2.517 180.117 177.584 0.027 0.000 1.176 92 A CA 2.106 54.167 52.037 0.040 0.000 0.631 92 A CB -1.283 17.750 19.000 0.054 0.000 0.814 92 A HN 0.507 nan 8.150 nan 0.000 0.446 93 T N -0.865 113.697 114.554 0.013 0.000 2.701 93 T HA -0.126 4.224 4.350 0.000 0.000 0.263 93 T C 1.848 176.554 174.700 0.009 0.000 1.040 93 T CA 1.434 63.538 62.100 0.007 0.000 1.147 93 T CB -0.705 68.162 68.868 -0.001 0.000 0.865 93 T HN 0.236 nan 8.240 nan 0.000 0.426 94 V N 1.134 121.052 119.914 0.008 0.000 2.720 94 V HA -0.045 4.075 4.120 0.000 0.000 0.256 94 V C 2.098 178.199 176.094 0.011 0.000 1.082 94 V CA 1.343 63.648 62.300 0.007 0.000 1.101 94 V CB -0.592 31.234 31.823 0.005 0.000 0.693 94 V HN 0.458 nan 8.190 nan 0.000 0.479 95 L N -0.411 120.821 121.223 0.015 0.000 2.095 95 L HA 0.018 4.358 4.340 0.000 0.000 0.204 95 L C 2.745 179.626 176.870 0.019 0.000 1.080 95 L CA 1.414 56.264 54.840 0.018 0.000 0.759 95 L CB -0.711 41.363 42.059 0.024 0.000 0.914 95 L HN 0.415 nan 8.230 nan 0.000 0.439 96 A N -0.528 122.305 122.820 0.022 0.000 1.902 96 A HA -0.289 4.031 4.320 0.000 0.000 0.217 96 A C 2.202 179.795 177.584 0.015 0.000 1.181 96 A CA 1.804 53.854 52.037 0.022 0.000 0.623 96 A CB -0.614 18.401 19.000 0.025 0.000 0.818 96 A HN 0.495 nan 8.150 nan 0.000 0.443 97 Q N -0.402 119.405 119.800 0.012 0.000 2.112 97 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 97 Q C 2.171 178.176 176.000 0.008 0.000 0.987 97 Q CA 1.942 57.751 55.803 0.009 0.000 0.858 97 Q CB -0.366 28.376 28.738 0.007 0.000 0.905 97 Q HN 0.605 nan 8.270 nan 0.000 0.420 98 A N 0.788 123.614 122.820 0.009 0.000 1.877 98 A HA -0.160 4.160 4.320 0.000 0.000 0.216 98 A C 2.013 179.602 177.584 0.008 0.000 1.186 98 A CA 1.429 53.470 52.037 0.008 0.000 0.620 98 A CB -0.666 18.339 19.000 0.008 0.000 0.822 98 A HN 0.488 nan 8.150 nan 0.000 0.443 99 I N -0.274 120.303 120.570 0.011 0.000 2.113 99 I HA -0.267 3.903 4.170 0.000 0.000 0.238 99 I C 2.376 178.498 176.117 0.010 0.000 1.070 99 I CA 1.499 62.805 61.300 0.011 0.000 1.332 99 I CB -0.478 37.531 38.000 0.013 0.000 1.044 99 I HN 0.298 nan 8.210 nan 0.000 0.402 100 I N 0.487 121.064 120.570 0.011 0.000 2.151 100 I HA -0.333 3.837 4.170 0.000 0.000 0.243 100 I C 2.610 178.732 176.117 0.007 0.000 1.080 100 I CA 1.721 63.027 61.300 0.010 0.000 1.339 100 I CB -0.750 37.257 38.000 0.011 0.000 1.039 100 I HN 0.305 nan 8.210 nan 0.000 0.409 101 T N 0.338 114.896 114.554 0.006 0.000 2.580 101 T HA -0.194 4.156 4.350 0.000 0.000 0.265 101 T C 1.824 176.526 174.700 0.004 0.000 1.063 101 T CA 1.507 63.610 62.100 0.004 0.000 1.170 101 T CB -0.241 68.629 68.868 0.004 0.000 0.863 101 T HN 0.294 nan 8.240 nan 0.000 0.418 102 E N 0.634 120.837 120.200 0.004 0.000 2.153 102 E HA -0.046 4.304 4.350 0.000 0.000 0.194 102 E C 2.467 179.069 176.600 0.004 0.000 0.988 102 E CA 1.074 57.476 56.400 0.004 0.000 0.811 102 E CB -0.933 28.769 29.700 0.004 0.000 0.746 102 E HN 0.590 nan 8.360 nan 0.000 0.466 103 G N 1.309 110.112 108.800 0.005 0.000 2.433 103 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 103 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 103 G C 1.717 176.620 174.900 0.005 0.000 1.186 103 G CA 0.641 45.744 45.100 0.006 0.000 0.779 103 G HN 0.214 nan 8.290 nan 0.000 0.543 104 L N -0.141 121.085 121.223 0.004 0.000 2.141 104 L HA -0.019 4.321 4.340 0.000 0.000 0.209 104 L C 2.937 179.808 176.870 0.002 0.000 1.094 104 L CA 0.998 55.839 54.840 0.003 0.000 0.763 104 L CB -0.292 41.768 42.059 0.002 0.000 0.908 104 L HN 0.196 nan 8.230 nan 0.000 0.437 105 K N 0.292 120.693 120.400 0.002 0.000 2.026 105 K HA -0.144 4.176 4.320 0.000 0.000 0.208 105 K C 2.308 178.909 176.600 0.001 0.000 1.048 105 K CA 1.382 57.669 56.287 0.001 0.000 0.929 105 K CB -0.285 32.216 32.500 0.001 0.000 0.713 105 K HN 0.260 nan 8.250 nan 0.000 0.439 106 A N 1.091 123.912 122.820 0.002 0.000 1.917 106 A HA -0.170 4.150 4.320 0.000 0.000 0.219 106 A C 2.378 179.964 177.584 0.003 0.000 1.182 106 A CA 1.805 53.843 52.037 0.002 0.000 0.633 106 A CB -0.812 18.190 19.000 0.003 0.000 0.819 106 A HN 0.091 nan 8.150 nan 0.000 0.448 107 V N -0.270 119.646 119.914 0.003 0.000 2.261 107 V HA -0.229 3.891 4.120 0.000 0.000 0.246 107 V C 3.055 179.151 176.094 0.003 0.000 1.047 107 V CA 1.996 64.298 62.300 0.004 0.000 1.015 107 V CB -1.415 30.411 31.823 0.005 0.000 0.642 107 V HN 0.618 nan 8.190 nan 0.000 0.446 108 A N 0.179 123.000 122.820 0.001 0.000 1.978 108 A HA -0.089 4.231 4.320 0.000 0.000 0.220 108 A C 2.262 179.846 177.584 0.000 0.000 1.170 108 A CA 1.840 53.877 52.037 0.000 0.000 0.636 108 A CB -0.747 18.252 19.000 -0.001 0.000 0.810 108 A HN 0.636 nan 8.150 nan 0.000 0.448 109 A N -1.949 120.871 122.820 0.000 0.000 2.248 109 A HA 0.351 4.671 4.320 0.000 0.000 0.210 109 A C 1.899 179.483 177.584 0.000 0.000 1.174 109 A CA 1.432 53.469 52.037 0.000 0.000 0.750 109 A CB -0.968 18.032 19.000 0.000 0.000 0.780 109 A HN 1.877 nan 8.150 nan 0.000 0.478 110 G N -2.181 106.620 108.800 0.001 0.000 2.232 110 G HA2 -0.240 3.720 3.960 0.000 0.000 0.226 110 G HA3 -0.240 3.720 3.960 0.000 0.000 0.226 110 G C 0.341 175.242 174.900 0.001 0.000 0.996 110 G CA 0.125 45.226 45.100 0.001 0.000 0.626 110 G HN 0.379 nan 8.290 nan 0.000 0.509 111 M N 1.069 120.670 119.600 0.002 0.000 2.240 111 M HA 0.196 4.676 4.480 0.000 0.000 0.317 111 M C 0.861 177.163 176.300 0.004 0.000 1.087 111 M CA -0.206 55.095 55.300 0.002 0.000 1.176 111 M CB 0.198 32.800 32.600 0.003 0.000 1.439 111 M HN 0.301 nan 8.290 nan 0.000 0.452 112 N N 1.767 120.470 118.700 0.004 0.000 2.497 112 N HA 0.117 4.857 4.740 0.000 0.000 0.268 112 N C -2.295 173.219 175.510 0.006 0.000 1.171 112 N CA -1.287 51.766 53.050 0.005 0.000 0.948 112 N CB 1.331 39.821 38.487 0.004 0.000 1.069 112 N HN 0.236 nan 8.380 nan 0.000 0.460 113 P HA -0.004 nan 4.420 nan 0.000 0.212 113 P C 1.717 179.022 177.300 0.009 0.000 1.180 113 P CA 1.032 64.138 63.100 0.009 0.000 0.902 113 P CB 0.148 31.855 31.700 0.012 0.000 0.778 114 M N -0.312 119.294 119.600 0.009 0.000 2.419 114 M HA -0.184 4.296 4.480 0.000 0.000 0.260 114 M C 1.110 177.414 176.300 0.007 0.000 1.073 114 M CA 1.587 56.892 55.300 0.009 0.000 1.056 114 M CB -1.490 31.115 32.600 0.009 0.000 1.394 114 M HN 0.047 nan 8.290 nan 0.000 0.444 115 D N -0.444 119.959 120.400 0.006 0.000 2.269 115 D HA 0.069 4.709 4.640 0.000 0.000 0.220 115 D C 2.217 178.520 176.300 0.004 0.000 0.962 115 D CA 0.517 54.520 54.000 0.004 0.000 0.884 115 D CB 0.030 40.832 40.800 0.004 0.000 1.023 115 D HN 0.301 nan 8.370 nan 0.000 0.484 116 L N 1.314 122.540 121.223 0.005 0.000 2.089 116 L HA -0.231 4.109 4.340 0.000 0.000 0.213 116 L C 2.557 179.430 176.870 0.005 0.000 1.079 116 L CA 1.304 56.147 54.840 0.005 0.000 0.758 116 L CB -0.344 41.718 42.059 0.006 0.000 0.891 116 L HN 0.023 nan 8.230 nan 0.000 0.433 117 K N 0.412 120.816 120.400 0.006 0.000 2.001 117 K HA -0.232 4.088 4.320 0.000 0.000 0.208 117 K C 2.329 178.931 176.600 0.004 0.000 1.048 117 K CA 1.477 57.767 56.287 0.006 0.000 0.932 117 K CB -0.063 32.442 32.500 0.008 0.000 0.715 117 K HN 0.085 nan 8.250 nan 0.000 0.437 118 R N -0.213 120.289 120.500 0.003 0.000 2.120 118 R HA -0.094 4.246 4.340 0.000 0.000 0.234 118 R C 2.270 178.571 176.300 0.001 0.000 1.123 118 R CA 1.610 57.710 56.100 0.001 0.000 0.975 118 R CB -0.488 29.813 30.300 0.002 0.000 0.866 118 R HN 0.432 nan 8.270 nan 0.000 0.446 119 G N 0.404 109.205 108.800 0.002 0.000 2.422 119 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 119 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 119 G C 1.385 176.286 174.900 0.001 0.000 1.146 119 G CA 0.681 45.782 45.100 0.002 0.000 0.769 119 G HN 0.255 nan 8.290 nan 0.000 0.547 120 I N 0.698 121.269 120.570 0.002 0.000 2.277 120 I HA -0.069 4.101 4.170 0.000 0.000 0.243 120 I C 2.072 178.188 176.117 -0.001 0.000 1.094 120 I CA 0.883 62.184 61.300 0.002 0.000 1.393 120 I CB -0.155 37.847 38.000 0.004 0.000 1.078 120 I HN 0.023 nan 8.210 nan 0.000 0.417 121 D N 0.967 121.365 120.400 -0.003 0.000 2.221 121 D HA -0.209 4.431 4.640 0.000 0.000 0.204 121 D C 2.009 178.304 176.300 -0.008 0.000 0.982 121 D CA 1.174 55.170 54.000 -0.007 0.000 0.857 121 D CB -0.059 40.736 40.800 -0.007 0.000 0.934 121 D HN 0.316 nan 8.370 nan 0.000 0.475 122 K N 0.692 121.089 120.400 -0.005 0.000 2.021 122 K HA 0.016 4.336 4.320 0.000 0.000 0.205 122 K C 2.004 178.601 176.600 -0.004 0.000 1.047 122 K CA 1.000 57.285 56.287 -0.004 0.000 0.943 122 K CB -0.034 32.464 32.500 -0.002 0.000 0.725 122 K HN -0.040 nan 8.250 nan 0.000 0.439 123 A N 0.509 123.328 122.820 -0.002 0.000 2.131 123 A HA -0.089 4.231 4.320 0.000 0.000 0.220 123 A C 1.967 179.550 177.584 -0.003 0.000 1.158 123 A CA 1.436 53.472 52.037 -0.001 0.000 0.665 123 A CB -0.306 18.695 19.000 0.001 0.000 0.795 123 A HN 0.208 nan 8.150 nan 0.000 0.460 124 V N -1.987 117.923 119.914 -0.006 0.000 2.581 124 V HA -0.105 4.015 4.120 0.000 0.000 0.240 124 V C 2.545 178.630 176.094 -0.015 0.000 1.054 124 V CA 1.886 64.179 62.300 -0.011 0.000 1.076 124 V CB -0.892 30.922 31.823 -0.016 0.000 0.748 124 V HN 0.495 nan 8.190 nan 0.000 0.474 125 T N 0.851 115.396 114.554 -0.016 0.000 2.680 125 T HA -0.297 4.053 4.350 0.000 0.000 0.268 125 T C 1.914 176.607 174.700 -0.012 0.000 1.033 125 T CA 2.118 64.208 62.100 -0.017 0.000 1.152 125 T CB -0.362 68.498 68.868 -0.014 0.000 0.859 125 T HN 0.565 nan 8.240 nan 0.000 0.452 126 A N 1.363 124.178 122.820 -0.007 0.000 1.825 126 A HA 0.245 4.565 4.320 0.000 0.000 0.214 126 A C 2.709 180.291 177.584 -0.003 0.000 1.206 126 A CA 1.922 53.957 52.037 -0.004 0.000 0.609 126 A CB -1.493 17.507 19.000 -0.001 0.000 0.851 126 A HN 0.508 nan 8.150 nan 0.000 0.445 127 A N -0.619 122.200 122.820 -0.002 0.000 1.929 127 A HA -0.211 4.109 4.320 0.000 0.000 0.221 127 A C 2.247 179.830 177.584 -0.001 0.000 1.211 127 A CA 2.471 54.508 52.037 0.001 0.000 0.657 127 A CB -1.384 17.616 19.000 0.001 0.000 0.827 127 A HN 0.587 nan 8.150 nan 0.000 0.462 128 V N -0.023 119.887 119.914 -0.007 0.000 2.332 128 V HA -0.258 3.862 4.120 0.000 0.000 0.248 128 V C 2.642 178.733 176.094 -0.005 0.000 1.055 128 V CA 2.345 64.639 62.300 -0.010 0.000 1.038 128 V CB -0.674 31.137 31.823 -0.020 0.000 0.651 128 V HN 0.575 nan 8.190 nan 0.000 0.450 129 E N -0.155 120.043 120.200 -0.004 0.000 2.028 129 E HA -0.191 4.159 4.350 0.000 0.000 0.190 129 E C 2.129 178.731 176.600 0.003 0.000 0.984 129 E CA 0.924 57.323 56.400 -0.001 0.000 0.800 129 E CB -0.330 29.369 29.700 -0.001 0.000 0.758 129 E HN 0.545 nan 8.360 nan 0.000 0.448 130 E N 0.346 120.549 120.200 0.004 0.000 2.515 130 E HA -0.082 4.268 4.350 0.000 0.000 0.201 130 E C 1.419 178.025 176.600 0.010 0.000 1.071 130 E CA 0.056 56.461 56.400 0.008 0.000 0.880 130 E CB -0.052 29.653 29.700 0.009 0.000 0.828 130 E HN 0.035 nan 8.360 nan 0.000 0.540 131 L N -0.574 120.654 121.223 0.008 0.000 2.470 131 L HA 0.183 4.523 4.340 0.000 0.000 0.219 131 L C 1.377 178.253 176.870 0.010 0.000 1.071 131 L CA 0.825 55.671 54.840 0.010 0.000 0.850 131 L CB 0.230 42.294 42.059 0.007 0.000 1.040 131 L HN -0.127 nan 8.230 nan 0.000 0.475 132 K N -0.488 119.917 120.400 0.007 0.000 2.366 132 K HA 0.099 4.419 4.320 0.000 0.000 0.198 132 K C 1.893 178.499 176.600 0.010 0.000 1.044 132 K CA 0.838 57.129 56.287 0.008 0.000 0.973 132 K CB -0.009 32.494 32.500 0.005 0.000 0.767 132 K HN 0.367 nan 8.250 nan 0.000 0.475 133 A N 1.111 123.937 122.820 0.010 0.000 1.970 133 A HA -0.018 4.302 4.320 0.000 0.000 0.216 133 A C 1.947 179.540 177.584 0.015 0.000 1.170 133 A CA 0.688 52.732 52.037 0.012 0.000 0.645 133 A CB -0.276 18.730 19.000 0.011 0.000 0.816 133 A HN 0.214 nan 8.150 nan 0.000 0.447 134 L N -0.165 121.068 121.223 0.017 0.000 2.313 134 L HA 0.019 4.359 4.340 0.000 0.000 0.214 134 L C 1.445 178.328 176.870 0.020 0.000 1.119 134 L CA 0.332 55.185 54.840 0.022 0.000 0.809 134 L CB -0.097 41.976 42.059 0.025 0.000 0.933 134 L HN 0.418 nan 8.230 nan 0.000 0.449 135 S N -0.512 115.198 115.700 0.017 0.000 2.558 135 S HA 0.010 4.480 4.470 0.000 0.000 0.287 135 S C -0.056 174.554 174.600 0.016 0.000 1.321 135 S CA -0.342 57.867 58.200 0.016 0.000 1.048 135 S CB 0.753 63.961 63.200 0.013 0.000 0.844 135 S HN 0.043 nan 8.310 nan 0.000 0.512 136 V N 7.757 127.681 119.914 0.015 0.000 2.276 136 V HA 0.319 4.439 4.120 0.000 0.000 0.268 136 V C -2.077 174.025 176.094 0.013 0.000 1.032 136 V CA -1.555 60.754 62.300 0.015 0.000 0.810 136 V CB 0.423 32.255 31.823 0.016 0.000 1.060 136 V HN 0.802 nan 8.190 nan 0.000 0.446 137 P HA 0.025 nan 4.420 nan 0.000 0.268 137 P C -0.407 176.899 177.300 0.009 0.000 1.189 137 P CA 0.235 63.341 63.100 0.010 0.000 0.771 137 P CB 0.189 31.895 31.700 0.009 0.000 0.822 138 C N -0.143 119.162 119.300 0.009 0.000 2.887 138 C HA 0.560 5.020 4.460 0.000 0.000 0.379 138 C C 0.678 175.671 174.990 0.006 0.000 1.064 138 C CA -0.244 58.778 59.018 0.007 0.000 1.282 138 C CB 0.324 28.069 27.740 0.008 0.000 1.749 138 C HN 0.465 nan 8.230 nan 0.000 0.489 139 S N 1.008 116.711 115.700 0.005 0.000 2.619 139 S HA 0.139 4.609 4.470 0.000 0.000 0.238 139 S C 0.314 174.916 174.600 0.003 0.000 1.068 139 S CA 0.209 58.411 58.200 0.004 0.000 0.926 139 S CB 0.020 63.223 63.200 0.004 0.000 0.864 139 S HN 0.982 nan 8.310 nan 0.000 0.493 140 D N 2.318 122.719 120.400 0.003 0.000 2.350 140 D HA 0.080 4.720 4.640 0.000 0.000 0.249 140 D C 0.766 177.066 176.300 0.001 0.000 1.119 140 D CA 0.005 54.006 54.000 0.002 0.000 0.886 140 D CB 1.105 41.906 40.800 0.003 0.000 1.195 140 D HN 0.157 nan 8.370 nan 0.000 0.437 141 S N 1.219 116.919 115.700 0.000 0.000 2.626 141 S HA -0.187 4.283 4.470 0.000 0.000 0.245 141 S C 1.298 175.898 174.600 -0.000 0.000 0.973 141 S CA 0.264 58.464 58.200 -0.001 0.000 0.959 141 S CB -0.185 63.014 63.200 -0.002 0.000 0.762 141 S HN 0.490 nan 8.310 nan 0.000 0.539 142 K N 1.149 121.549 120.400 0.001 0.000 2.262 142 K HA 0.297 4.617 4.320 0.000 0.000 0.200 142 K C 1.830 178.431 176.600 0.002 0.000 1.049 142 K CA 0.965 57.253 56.287 0.001 0.000 0.979 142 K CB -0.294 32.207 32.500 0.002 0.000 0.773 142 K HN 0.448 nan 8.250 nan 0.000 0.474 143 A N 0.873 123.694 122.820 0.002 0.000 1.942 143 A HA 0.138 4.458 4.320 0.000 0.000 0.209 143 A C 2.055 179.641 177.584 0.003 0.000 1.214 143 A CA 0.140 52.179 52.037 0.003 0.000 0.686 143 A CB -0.291 18.712 19.000 0.005 0.000 0.871 143 A HN 0.195 nan 8.150 nan 0.000 0.460 144 I N 0.358 120.929 120.570 0.002 0.000 2.300 144 I HA -0.356 3.814 4.170 0.000 0.000 0.252 144 I C 2.708 178.825 176.117 -0.000 0.000 1.119 144 I CA 1.269 62.569 61.300 0.000 0.000 1.384 144 I CB -0.170 37.829 38.000 -0.002 0.000 1.062 144 I HN 0.393 nan 8.210 nan 0.000 0.426 145 A N -0.400 122.419 122.820 -0.001 0.000 1.975 145 A HA -0.167 4.153 4.320 0.000 0.000 0.215 145 A C 2.246 179.830 177.584 -0.000 0.000 1.170 145 A CA 0.905 52.941 52.037 -0.001 0.000 0.656 145 A CB -0.304 18.695 19.000 -0.001 0.000 0.821 145 A HN 0.473 nan 8.150 nan 0.000 0.449 146 Q N -0.459 119.342 119.800 0.001 0.000 2.398 146 Q HA 0.039 4.379 4.340 0.000 0.000 0.204 146 Q C 1.434 177.436 176.000 0.002 0.000 0.932 146 Q CA 0.900 56.704 55.803 0.001 0.000 0.916 146 Q CB 0.083 28.822 28.738 0.002 0.000 1.024 146 Q HN 0.366 nan 8.270 nan 0.000 0.504 147 V N -0.260 119.656 119.914 0.003 0.000 2.407 147 V HA -0.067 4.053 4.120 0.000 0.000 0.245 147 V C 2.197 178.294 176.094 0.006 0.000 1.041 147 V CA 1.750 64.053 62.300 0.005 0.000 1.040 147 V CB -0.763 31.064 31.823 0.007 0.000 0.671 147 V HN 0.574 nan 8.190 nan 0.000 0.455 148 G N -0.212 108.591 108.800 0.004 0.000 2.418 148 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 148 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 148 G C 1.687 176.589 174.900 0.004 0.000 1.158 148 G CA 1.635 46.738 45.100 0.005 0.000 0.771 148 G HN 0.454 nan 8.290 nan 0.000 0.545 149 T N 1.478 116.033 114.554 0.002 0.000 2.622 149 T HA -0.086 4.264 4.350 0.000 0.000 0.266 149 T C 2.374 177.074 174.700 -0.000 0.000 1.047 149 T CA 1.157 63.258 62.100 0.000 0.000 1.159 149 T CB -0.229 68.639 68.868 -0.001 0.000 0.863 149 T HN 0.245 nan 8.240 nan 0.000 0.422 150 I N 1.129 121.698 120.570 -0.000 0.000 2.335 150 I HA -0.108 4.062 4.170 0.000 0.000 0.251 150 I C 1.658 177.775 176.117 -0.001 0.000 1.129 150 I CA 0.883 62.182 61.300 -0.003 0.000 1.402 150 I CB -0.265 37.733 38.000 -0.003 0.000 1.069 150 I HN 0.103 nan 8.210 nan 0.000 0.424 151 S N 0.788 116.490 115.700 0.003 0.000 2.768 151 S HA 0.413 4.883 4.470 0.000 0.000 0.246 151 S C 0.678 175.282 174.600 0.007 0.000 1.006 151 S CA 0.293 58.497 58.200 0.007 0.000 1.075 151 S CB 0.016 63.224 63.200 0.014 0.000 0.786 151 S HN 0.465 nan 8.310 nan 0.000 0.468 152 A N 1.367 124.189 122.820 0.003 0.000 3.066 152 A HA 0.466 4.786 4.320 0.000 0.000 0.194 152 A C 0.270 177.854 177.584 -0.001 0.000 0.972 152 A CA -0.766 51.273 52.037 0.003 0.000 1.183 152 A CB -0.495 18.507 19.000 0.004 0.000 1.269 152 A HN 0.293 nan 8.150 nan 0.000 0.567 153 N N 0.441 119.139 118.700 -0.003 0.000 2.725 153 N HA -0.184 4.556 4.740 0.000 0.000 0.249 153 N C 0.151 175.657 175.510 -0.006 0.000 1.103 153 N CA 1.321 54.367 53.050 -0.006 0.000 0.707 153 N CB -1.573 36.911 38.487 -0.006 0.000 1.043 153 N HN 0.915 nan 8.380 nan 0.000 0.553 154 S N -1.211 114.485 115.700 -0.006 0.000 3.791 154 S HA -0.203 4.267 4.470 0.000 0.000 0.393 154 S C -0.528 174.069 174.600 -0.004 0.000 0.936 154 S CA 0.753 58.949 58.200 -0.005 0.000 1.234 154 S CB -0.587 62.608 63.200 -0.008 0.000 0.891 154 S HN 0.569 nan 8.310 nan 0.000 0.519 155 D N 0.688 121.086 120.400 -0.003 0.000 2.458 155 D HA 0.378 5.018 4.640 0.000 0.000 0.258 155 D C 0.965 177.264 176.300 -0.002 0.000 1.134 155 D CA -0.598 53.401 54.000 -0.002 0.000 0.915 155 D CB 0.686 41.485 40.800 -0.002 0.000 1.028 155 D HN 0.291 nan 8.370 nan 0.000 0.508 156 E N 0.450 120.649 120.200 -0.002 0.000 2.253 156 E HA -0.181 4.169 4.350 0.000 0.000 0.202 156 E C 1.638 178.236 176.600 -0.002 0.000 1.014 156 E CA 1.493 57.892 56.400 -0.002 0.000 0.823 156 E CB 0.085 29.784 29.700 -0.002 0.000 0.736 156 E HN 0.400 nan 8.360 nan 0.000 0.478 157 T N -0.204 114.349 114.554 -0.002 0.000 2.821 157 T HA -0.108 4.242 4.350 0.000 0.000 0.267 157 T C 1.926 176.624 174.700 -0.003 0.000 1.046 157 T CA 1.087 63.186 62.100 -0.002 0.000 1.139 157 T CB -0.191 68.675 68.868 -0.002 0.000 0.871 157 T HN -0.004 nan 8.240 nan 0.000 0.454 158 V N 1.465 121.378 119.914 -0.002 0.000 2.223 158 V HA -0.116 4.004 4.120 0.000 0.000 0.244 158 V C 2.902 178.994 176.094 -0.003 0.000 1.045 158 V CA 2.142 64.441 62.300 -0.002 0.000 1.000 158 V CB -1.460 30.363 31.823 0.000 0.000 0.635 158 V HN 0.565 nan 8.190 nan 0.000 0.445 159 G N -0.401 108.398 108.800 -0.002 0.000 2.476 159 G HA2 -0.376 3.584 3.960 0.000 0.000 0.218 159 G HA3 -0.376 3.584 3.960 0.000 0.000 0.218 159 G C 1.649 176.547 174.900 -0.003 0.000 1.164 159 G CA 1.361 46.460 45.100 -0.002 0.000 0.768 159 G HN 0.517 nan 8.290 nan 0.000 0.560 160 K N -0.062 120.336 120.400 -0.003 0.000 2.063 160 K HA 0.024 4.344 4.320 0.000 0.000 0.208 160 K C 2.471 179.068 176.600 -0.005 0.000 1.048 160 K CA 1.102 57.387 56.287 -0.004 0.000 0.928 160 K CB -0.296 32.202 32.500 -0.003 0.000 0.713 160 K HN 0.363 nan 8.250 nan 0.000 0.442 161 L N 1.022 122.242 121.223 -0.005 0.000 2.017 161 L HA -0.178 4.162 4.340 0.000 0.000 0.208 161 L C 2.353 179.217 176.870 -0.009 0.000 1.073 161 L CA 1.160 55.996 54.840 -0.007 0.000 0.745 161 L CB -0.187 41.868 42.059 -0.007 0.000 0.894 161 L HN 0.285 nan 8.230 nan 0.000 0.432 162 I N -0.402 120.162 120.570 -0.010 0.000 2.127 162 I HA -0.348 3.822 4.170 0.000 0.000 0.241 162 I C 2.769 178.878 176.117 -0.013 0.000 1.075 162 I CA 1.328 62.619 61.300 -0.014 0.000 1.334 162 I CB -0.571 37.421 38.000 -0.013 0.000 1.040 162 I HN 0.309 nan 8.210 nan 0.000 0.405 163 A N 0.568 123.383 122.820 -0.009 0.000 1.873 163 A HA -0.263 4.057 4.320 0.000 0.000 0.218 163 A C 2.141 179.720 177.584 -0.008 0.000 1.193 163 A CA 1.948 53.981 52.037 -0.008 0.000 0.629 163 A CB -0.807 18.190 19.000 -0.005 0.000 0.826 163 A HN 0.502 nan 8.150 nan 0.000 0.447 164 E N -0.469 119.726 120.200 -0.007 0.000 2.396 164 E HA -0.076 4.274 4.350 0.000 0.000 0.200 164 E C 1.971 178.566 176.600 -0.009 0.000 1.023 164 E CA 0.628 57.024 56.400 -0.007 0.000 0.857 164 E CB -0.212 29.484 29.700 -0.006 0.000 0.775 164 E HN 0.669 nan 8.360 nan 0.000 0.525 165 A N 0.867 123.680 122.820 -0.011 0.000 1.887 165 A HA 0.031 4.351 4.320 0.000 0.000 0.210 165 A C 2.027 179.602 177.584 -0.015 0.000 1.221 165 A CA 0.201 52.230 52.037 -0.014 0.000 0.635 165 A CB -0.137 18.852 19.000 -0.018 0.000 0.881 165 A HN 0.072 nan 8.150 nan 0.000 0.456 166 M N 0.060 119.650 119.600 -0.015 0.000 2.623 166 M HA -0.148 4.332 4.480 0.000 0.000 0.258 166 M C 1.404 177.698 176.300 -0.010 0.000 1.067 166 M CA 1.581 56.872 55.300 -0.014 0.000 1.068 166 M CB -0.470 32.122 32.600 -0.014 0.000 1.409 166 M HN 0.553 nan 8.290 nan 0.000 0.504 167 D N 0.713 121.107 120.400 -0.009 0.000 2.144 167 D HA -0.064 4.576 4.640 0.000 0.000 0.207 167 D C 1.651 177.947 176.300 -0.007 0.000 0.970 167 D CA 1.133 55.128 54.000 -0.007 0.000 0.853 167 D CB 0.202 40.998 40.800 -0.006 0.000 1.007 167 D HN 0.137 nan 8.370 nan 0.000 0.469 168 K N -0.394 120.001 120.400 -0.008 0.000 2.360 168 K HA -0.033 4.287 4.320 0.000 0.000 0.201 168 K C 1.251 177.847 176.600 -0.008 0.000 1.046 168 K CA 0.730 57.013 56.287 -0.007 0.000 0.945 168 K CB 0.522 33.017 32.500 -0.008 0.000 0.750 168 K HN 0.187 nan 8.250 nan 0.000 0.464 169 V N -1.180 118.729 119.914 -0.009 0.000 3.539 169 V HA 0.218 4.338 4.120 0.000 0.000 0.262 169 V C 0.548 176.637 176.094 -0.008 0.000 1.381 169 V CA 0.077 62.372 62.300 -0.009 0.000 1.060 169 V CB 0.655 32.471 31.823 -0.012 0.000 0.842 169 V HN 0.398 nan 8.190 nan 0.000 0.445 170 G N 1.465 110.260 108.800 -0.008 0.000 2.719 170 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 170 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 170 G C 0.087 174.982 174.900 -0.008 0.000 1.201 170 G CA -0.042 45.054 45.100 -0.007 0.000 0.768 170 G HN 0.249 nan 8.290 nan 0.000 0.629 171 K N 0.187 120.583 120.400 -0.006 0.000 2.304 171 K HA -0.154 4.166 4.320 0.000 0.000 0.204 171 K C 1.460 178.056 176.600 -0.007 0.000 1.044 171 K CA 1.784 58.067 56.287 -0.006 0.000 0.932 171 K CB 0.059 32.558 32.500 -0.002 0.000 0.735 171 K HN 0.511 nan 8.250 nan 0.000 0.468 172 E N 0.247 120.444 120.200 -0.005 0.000 2.476 172 E HA 0.087 4.437 4.350 0.000 0.000 0.196 172 E C 0.796 177.393 176.600 -0.006 0.000 1.029 172 E CA 0.025 56.423 56.400 -0.003 0.000 0.896 172 E CB 0.786 30.486 29.700 0.001 0.000 1.012 172 E HN 0.315 nan 8.360 nan 0.000 0.475 173 G N 0.883 109.677 108.800 -0.010 0.000 2.525 173 G HA2 0.403 4.363 3.960 0.000 0.000 0.287 173 G HA3 0.403 4.363 3.960 0.000 0.000 0.287 173 G C 0.041 174.930 174.900 -0.019 0.000 1.350 173 G CA -0.420 44.673 45.100 -0.011 0.000 1.039 173 G HN 0.014 nan 8.290 nan 0.000 0.513 174 V N -1.792 118.110 119.914 -0.020 0.000 2.547 174 V HA 0.752 4.872 4.120 0.000 0.000 0.299 174 V C -0.298 175.774 176.094 -0.036 0.000 1.040 174 V CA -0.903 61.379 62.300 -0.030 0.000 0.913 174 V CB 1.278 33.087 31.823 -0.023 0.000 0.992 174 V HN 0.531 nan 8.190 nan 0.000 0.449 175 I N 2.761 123.300 120.570 -0.051 0.000 2.534 175 I HA 0.522 4.692 4.170 0.000 0.000 0.288 175 I C -0.166 175.917 176.117 -0.057 0.000 1.077 175 I CA -0.165 61.104 61.300 -0.051 0.000 1.051 175 I CB 2.530 40.494 38.000 -0.059 0.000 1.234 175 I HN 0.711 nan 8.210 nan 0.000 0.425 176 T N 4.998 119.528 114.554 -0.041 0.000 2.918 176 T HA 0.639 4.989 4.350 0.000 0.000 0.286 176 T C -0.469 174.213 174.700 -0.028 0.000 1.026 176 T CA -0.597 61.482 62.100 -0.035 0.000 1.031 176 T CB 2.419 71.270 68.868 -0.027 0.000 1.046 176 T HN 0.215 nan 8.240 nan 0.000 0.479 177 V N 2.578 122.478 119.914 -0.022 0.000 2.443 177 V HA 0.464 4.584 4.120 0.000 0.000 0.293 177 V C -0.216 175.873 176.094 -0.008 0.000 1.021 177 V CA -0.783 61.508 62.300 -0.015 0.000 0.848 177 V CB 1.458 33.274 31.823 -0.012 0.000 0.998 177 V HN 0.873 nan 8.190 nan 0.000 0.424 178 E N 1.978 122.173 120.200 -0.008 0.000 2.412 178 E HA 0.463 4.813 4.350 0.000 0.000 0.255 178 E C -1.229 175.368 176.600 -0.004 0.000 0.933 178 E CA -1.076 55.321 56.400 -0.006 0.000 0.823 178 E CB 1.525 31.220 29.700 -0.008 0.000 1.352 178 E HN 0.603 nan 8.360 nan 0.000 0.406 179 D N 0.632 121.030 120.400 -0.003 0.000 2.345 179 D HA 0.204 4.844 4.640 0.000 0.000 0.247 179 D C -0.090 176.208 176.300 -0.004 0.000 1.108 179 D CA 0.088 54.086 54.000 -0.003 0.000 0.894 179 D CB 1.342 42.141 40.800 -0.002 0.000 1.203 179 D HN 0.436 nan 8.370 nan 0.000 0.430 180 G N 0.009 108.807 108.800 -0.003 0.000 2.507 180 G HA2 0.304 4.264 3.960 0.000 0.000 0.271 180 G HA3 0.304 4.264 3.960 0.000 0.000 0.271 180 G C 0.321 175.218 174.900 -0.004 0.000 1.189 180 G CA -0.539 44.558 45.100 -0.004 0.000 0.859 180 G HN 0.403 nan 8.290 nan 0.000 0.542 181 T N -1.052 113.499 114.554 -0.004 0.000 3.540 181 T HA 0.576 4.926 4.350 0.000 0.000 0.269 181 T C 0.980 175.678 174.700 -0.004 0.000 1.481 181 T CA 0.296 62.394 62.100 -0.004 0.000 1.224 181 T CB -0.194 68.671 68.868 -0.005 0.000 1.192 181 T HN 2.011 nan 8.240 nan 0.000 0.756 182 G N 1.836 110.634 108.800 -0.003 0.000 2.416 182 G HA2 -0.027 3.933 3.960 0.000 0.000 0.203 182 G HA3 -0.027 3.933 3.960 0.000 0.000 0.203 182 G C -1.086 173.813 174.900 -0.003 0.000 1.227 182 G CA -0.584 44.514 45.100 -0.003 0.000 1.041 182 G HN 0.626 nan 8.290 nan 0.000 0.546 183 L N 1.164 122.386 121.223 -0.002 0.000 2.439 183 L HA 0.681 5.021 4.340 0.000 0.000 0.261 183 L C 0.663 177.531 176.870 -0.003 0.000 1.153 183 L CA 0.595 55.434 54.840 -0.002 0.000 0.808 183 L CB 0.525 42.583 42.059 -0.002 0.000 1.126 183 L HN 1.087 nan 8.230 nan 0.000 0.460 184 Q N 2.093 121.891 119.800 -0.003 0.000 3.149 184 Q HA -0.111 4.229 4.340 0.000 0.000 0.055 184 Q C -1.309 174.689 176.000 -0.004 0.000 1.662 184 Q CA 0.368 56.169 55.803 -0.003 0.000 0.281 184 Q CB -0.242 28.494 28.738 -0.003 0.000 0.584 184 Q HN 0.649 nan 8.270 nan 0.000 0.322 185 D N 3.537 123.935 120.400 -0.004 0.000 2.304 185 D HA 0.196 4.836 4.640 0.000 0.000 0.250 185 D C -0.001 176.296 176.300 -0.005 0.000 1.107 185 D CA 0.122 54.119 54.000 -0.005 0.000 0.885 185 D CB 0.889 41.687 40.800 -0.005 0.000 1.192 185 D HN 0.291 nan 8.370 nan 0.000 0.436 186 E N 0.420 120.616 120.200 -0.006 0.000 2.221 186 E HA 0.524 4.874 4.350 0.000 0.000 0.268 186 E C -0.812 175.784 176.600 -0.007 0.000 0.933 186 E CA -1.025 55.371 56.400 -0.006 0.000 0.809 186 E CB 2.284 31.980 29.700 -0.006 0.000 1.190 186 E HN 0.093 nan 8.360 nan 0.000 0.406 187 L N 2.523 123.741 121.223 -0.008 0.000 2.573 187 L HA 0.375 4.715 4.340 0.000 0.000 0.260 187 L C -1.727 175.138 176.870 -0.009 0.000 0.997 187 L CA -0.223 54.612 54.840 -0.009 0.000 0.890 187 L CB 0.905 42.958 42.059 -0.009 0.000 1.179 187 L HN 0.415 nan 8.230 nan 0.000 0.439 188 D N 2.584 122.979 120.400 -0.009 0.000 2.449 188 D HA 0.669 5.309 4.640 0.000 0.000 0.250 188 D C -0.882 175.413 176.300 -0.009 0.000 1.050 188 D CA -0.353 53.642 54.000 -0.008 0.000 1.024 188 D CB 2.805 43.600 40.800 -0.008 0.000 1.218 188 D HN 0.236 nan 8.370 nan 0.000 0.566 189 V N 0.899 120.808 119.914 -0.008 0.000 2.531 189 V HA 0.432 4.552 4.120 0.000 0.000 0.301 189 V C 0.105 176.194 176.094 -0.007 0.000 1.034 189 V CA -0.718 61.578 62.300 -0.008 0.000 0.865 189 V CB 1.707 33.525 31.823 -0.007 0.000 0.995 189 V HN 0.472 nan 8.190 nan 0.000 0.424 190 V N 0.835 120.745 119.914 -0.007 0.000 3.126 190 V HA 0.702 4.822 4.120 0.000 0.000 0.314 190 V C -0.286 175.806 176.094 -0.003 0.000 1.138 190 V CA -1.079 61.218 62.300 -0.005 0.000 1.034 190 V CB 2.067 33.885 31.823 -0.007 0.000 1.075 190 V HN 0.698 nan 8.190 nan 0.000 0.442 191 E N 1.460 121.659 120.200 -0.001 0.000 2.417 191 E HA 0.540 4.890 4.350 0.000 0.000 0.261 191 E C 0.311 176.915 176.600 0.007 0.000 1.000 191 E CA 1.068 57.470 56.400 0.003 0.000 0.919 191 E CB 0.674 30.376 29.700 0.003 0.000 0.955 191 E HN 1.282 nan 8.360 nan 0.000 0.455 192 G N 1.420 110.228 108.800 0.013 0.000 2.328 192 G HA2 0.455 4.415 3.960 0.000 0.000 0.295 192 G HA3 0.455 4.415 3.960 0.000 0.000 0.295 192 G C -0.891 174.028 174.900 0.031 0.000 1.413 192 G CA -0.340 44.773 45.100 0.022 0.000 0.817 192 G HN 0.436 nan 8.290 nan 0.000 0.546 193 M N -1.485 118.145 119.600 0.049 0.000 3.331 193 M HA 0.857 5.337 4.480 0.000 0.000 0.281 193 M C -1.679 174.664 176.300 0.070 0.000 1.338 193 M CA -0.971 54.369 55.300 0.066 0.000 0.827 193 M CB 2.287 34.946 32.600 0.098 0.000 1.674 193 M HN 0.798 nan 8.290 nan 0.000 0.477 194 Q N 1.549 121.402 119.800 0.088 0.000 2.296 194 Q HA 0.521 4.861 4.340 0.000 0.000 0.254 194 Q C -2.296 173.760 176.000 0.094 0.000 0.936 194 Q CA -0.686 55.123 55.803 0.010 0.000 0.834 194 Q CB 1.867 30.574 28.738 -0.051 0.000 1.340 194 Q HN 0.687 nan 8.270 nan 0.000 0.428 195 F N 0.411 120.358 119.950 -0.004 0.000 2.497 195 F HA 0.554 5.081 4.527 0.000 0.000 0.331 195 F C 0.073 175.870 175.800 -0.004 0.000 1.060 195 F CA -1.239 56.760 58.000 -0.002 0.000 0.989 195 F CB 0.721 39.722 39.000 0.001 0.000 1.245 195 F HN 0.335 nan 8.300 nan 0.000 0.486 196 D N 2.134 122.638 120.400 0.173 0.000 2.934 196 D HA 0.105 4.745 4.640 0.000 0.000 0.237 196 D C -0.142 176.202 176.300 0.074 0.000 1.158 196 D CA 0.209 54.247 54.000 0.065 0.000 0.971 196 D CB -0.170 40.671 40.800 0.068 0.000 1.123 196 D HN 0.222 nan 8.370 nan 0.000 0.467 197 R N 0.352 120.878 120.500 0.044 0.000 2.480 197 R HA 0.511 4.851 4.340 0.000 0.000 0.306 197 R C 0.506 176.751 176.300 -0.092 0.000 0.958 197 R CA -0.695 55.441 56.100 0.060 0.000 0.861 197 R CB 2.036 32.512 30.300 0.292 0.000 1.171 197 R HN 0.131 nan 8.270 nan 0.000 0.445 198 G N 1.447 110.170 108.800 -0.130 0.000 2.557 198 G HA2 0.340 4.300 3.960 0.000 0.000 0.292 198 G HA3 0.340 4.300 3.960 0.000 0.000 0.292 198 G C -0.589 174.184 174.900 -0.212 0.000 1.237 198 G CA -0.439 44.480 45.100 -0.301 0.000 0.978 198 G HN 0.466 nan 8.290 nan 0.000 0.498 199 Y N -1.185 119.121 120.300 0.009 0.000 2.457 199 Y HA 0.323 4.873 4.550 0.000 0.000 0.341 199 Y C 1.389 177.336 175.900 0.078 0.000 1.240 199 Y CA -1.226 56.885 58.100 0.018 0.000 1.437 199 Y CB 0.366 38.866 38.460 0.067 0.000 1.328 199 Y HN 0.206 nan 8.280 nan 0.000 0.588 200 L N 1.031 122.444 121.223 0.317 0.000 2.291 200 L HA -0.016 4.324 4.340 0.000 0.000 0.214 200 L C 0.812 177.938 176.870 0.426 0.000 1.120 200 L CA 1.495 56.519 54.840 0.306 0.000 0.799 200 L CB -0.183 42.024 42.059 0.247 0.000 0.925 200 L HN 0.817 nan 8.230 nan 0.000 0.446 201 S N -2.491 113.569 115.700 0.600 0.000 2.558 201 S HA 0.394 4.864 4.470 0.000 0.000 0.277 201 S C -2.585 172.094 174.600 0.131 0.000 1.143 201 S CA -1.090 57.346 58.200 0.393 0.000 0.865 201 S CB 1.796 65.162 63.200 0.276 0.000 1.102 201 S HN -0.278 nan 8.310 nan 0.000 0.454 202 P HA 0.348 nan 4.420 nan 0.000 0.330 202 P C 0.106 177.253 177.300 -0.255 0.000 1.377 202 P CA 0.496 63.275 63.100 -0.534 0.000 0.793 202 P CB -0.008 31.396 31.700 -0.494 0.000 1.813 203 Y N -4.530 115.622 120.300 -0.247 0.000 2.742 203 Y HA -0.330 4.220 4.550 0.000 0.000 0.485 203 Y C 1.975 177.761 175.900 -0.190 0.000 1.119 203 Y CA 1.690 59.650 58.100 -0.233 0.000 2.917 203 Y CB -2.966 35.301 38.460 -0.321 0.000 0.951 203 Y HN 0.099 nan 8.280 nan 0.000 0.562 204 F N 0.619 120.579 119.950 0.017 0.000 2.184 204 F HA -0.175 4.352 4.527 0.000 0.000 0.301 204 F C 1.626 177.394 175.800 -0.053 0.000 1.076 204 F CA 1.353 59.344 58.000 -0.014 0.000 1.295 204 F CB -0.733 38.254 39.000 -0.021 0.000 1.026 204 F HN 0.016 nan 8.300 nan 0.000 0.494 205 I N 1.492 122.082 120.570 0.033 0.000 3.058 205 I HA -0.205 3.965 4.170 0.000 0.000 0.299 205 I C 0.620 176.750 176.117 0.022 0.000 1.238 205 I CA 1.028 62.316 61.300 -0.021 0.000 1.423 205 I CB 0.069 37.995 38.000 -0.122 0.000 1.330 205 I HN 0.262 nan 8.210 nan 0.000 0.589 206 N N 1.714 120.428 118.700 0.023 0.000 2.228 206 N HA 0.093 4.833 4.740 0.000 0.000 0.237 206 N C -0.625 174.896 175.510 0.018 0.000 1.382 206 N CA -0.426 52.640 53.050 0.025 0.000 0.787 206 N CB 0.475 38.986 38.487 0.041 0.000 1.320 206 N HN 0.364 nan 8.380 nan 0.000 0.507 207 K N 1.030 121.437 120.400 0.012 0.000 3.350 207 K HA 0.281 4.601 4.320 0.000 0.000 0.167 207 K C -2.203 174.400 176.600 0.005 0.000 1.058 207 K CA -0.987 55.307 56.287 0.012 0.000 0.783 207 K CB 1.827 34.339 32.500 0.020 0.000 0.872 207 K HN 0.020 nan 8.250 nan 0.000 0.561 208 P HA -0.199 nan 4.420 nan 0.000 0.223 208 P C 0.484 177.779 177.300 -0.008 0.000 1.140 208 P CA 1.243 64.334 63.100 -0.015 0.000 0.783 208 P CB 0.501 32.189 31.700 -0.020 0.000 0.759 209 E N -0.094 120.105 120.200 -0.001 0.000 2.110 209 E HA -0.106 4.244 4.350 0.000 0.000 0.193 209 E C 1.882 178.483 176.600 0.001 0.000 0.988 209 E CA 2.153 58.553 56.400 0.000 0.000 0.804 209 E CB -0.876 28.826 29.700 0.005 0.000 0.745 209 E HN 0.450 nan 8.360 nan 0.000 0.458 210 T N -4.712 109.847 114.554 0.009 0.000 3.004 210 T HA 0.364 4.714 4.350 0.000 0.000 0.266 210 T C 1.194 175.907 174.700 0.022 0.000 0.986 210 T CA 0.015 62.122 62.100 0.013 0.000 0.902 210 T CB 0.673 69.558 68.868 0.029 0.000 1.118 210 T HN 0.227 nan 8.240 nan 0.000 0.522 211 G N 1.321 110.132 108.800 0.018 0.000 2.351 211 G HA2 0.255 4.215 3.960 0.000 0.000 0.297 211 G HA3 0.255 4.215 3.960 0.000 0.000 0.297 211 G C 0.035 174.982 174.900 0.078 0.000 1.054 211 G CA -0.081 45.034 45.100 0.025 0.000 1.123 211 G HN 1.344 nan 8.290 nan 0.000 0.512 212 A N -0.651 122.208 122.820 0.066 0.000 2.587 212 A HA 0.934 5.254 4.320 0.000 0.000 0.293 212 A C 0.155 177.783 177.584 0.075 0.000 1.087 212 A CA -0.094 52.008 52.037 0.109 0.000 0.692 212 A CB 1.692 20.748 19.000 0.093 0.000 1.291 212 A HN 1.320 nan 8.150 nan 0.000 0.407 213 V N 0.346 120.320 119.914 0.100 0.000 3.441 213 V HA 0.633 4.753 4.120 0.000 0.000 0.300 213 V C 0.342 176.465 176.094 0.049 0.000 1.062 213 V CA -0.082 62.263 62.300 0.075 0.000 1.064 213 V CB 1.417 33.291 31.823 0.085 0.000 1.197 213 V HN 0.983 nan 8.190 nan 0.000 0.451 214 E N 0.595 120.818 120.200 0.038 0.000 2.597 214 E HA 0.441 4.791 4.350 0.000 0.000 0.310 214 E C -2.174 174.438 176.600 0.019 0.000 0.970 214 E CA -0.486 55.927 56.400 0.022 0.000 0.819 214 E CB 1.202 30.915 29.700 0.021 0.000 1.267 214 E HN 0.573 nan 8.360 nan 0.000 0.411 215 L N 3.102 124.330 121.223 0.009 0.000 2.410 215 L HA 0.516 4.856 4.340 0.000 0.000 0.270 215 L C -0.306 176.558 176.870 -0.009 0.000 0.983 215 L CA -1.141 53.703 54.840 0.006 0.000 0.822 215 L CB 1.927 43.992 42.059 0.010 0.000 1.285 215 L HN 0.425 nan 8.230 nan 0.000 0.409 216 E N 1.340 121.532 120.200 -0.012 0.000 2.259 216 E HA 0.127 4.477 4.350 0.000 0.000 0.281 216 E C 0.275 176.842 176.600 -0.055 0.000 1.037 216 E CA -0.216 56.168 56.400 -0.027 0.000 0.854 216 E CB 1.413 31.101 29.700 -0.020 0.000 1.051 216 E HN 0.606 nan 8.360 nan 0.000 0.409 217 S N 2.330 117.986 115.700 -0.074 0.000 3.368 217 S HA -0.148 4.322 4.470 0.000 0.000 0.381 217 S C -1.897 172.584 174.600 -0.198 0.000 0.975 217 S CA 0.440 58.562 58.200 -0.130 0.000 1.199 217 S CB -1.304 61.812 63.200 -0.139 0.000 0.902 217 S HN 0.468 nan 8.310 nan 0.000 0.472 218 P HA 0.251 nan 4.420 nan 0.000 0.272 218 P C 0.009 177.207 177.300 -0.171 0.000 1.254 218 P CA -0.309 62.730 63.100 -0.102 0.000 0.795 218 P CB 0.441 32.135 31.700 -0.010 0.000 1.022 219 F N -0.432 119.526 119.950 0.013 0.000 2.425 219 F HA 0.450 4.977 4.527 0.000 0.000 0.331 219 F C 0.747 176.555 175.800 0.014 0.000 1.085 219 F CA -0.492 57.515 58.000 0.013 0.000 1.028 219 F CB 0.907 39.914 39.000 0.012 0.000 1.177 219 F HN 0.038 nan 8.300 nan 0.000 0.487 220 I N 4.428 125.146 120.570 0.247 0.000 2.389 220 I HA 0.273 4.443 4.170 0.000 0.000 0.288 220 I C -1.245 174.937 176.117 0.109 0.000 0.999 220 I CA -0.996 60.388 61.300 0.140 0.000 1.129 220 I CB 1.814 39.875 38.000 0.103 0.000 1.288 220 I HN 0.237 nan 8.210 nan 0.000 0.444 221 L N 8.190 129.457 121.223 0.075 0.000 2.255 221 L HA 0.446 4.786 4.340 0.000 0.000 0.289 221 L C -0.800 176.087 176.870 0.029 0.000 1.046 221 L CA -0.052 54.813 54.840 0.041 0.000 0.816 221 L CB 0.625 42.700 42.059 0.027 0.000 1.197 221 L HN 0.464 nan 8.230 nan 0.000 0.427 222 L N 6.409 127.643 121.223 0.019 0.000 2.287 222 L HA 0.664 5.004 4.340 0.000 0.000 0.280 222 L C -0.010 176.858 176.870 -0.003 0.000 1.055 222 L CA -0.386 54.456 54.840 0.003 0.000 0.863 222 L CB 0.773 42.831 42.059 -0.003 0.000 1.245 222 L HN 0.773 nan 8.230 nan 0.000 0.432 223 A N 1.775 124.594 122.820 -0.002 0.000 2.319 223 A HA 0.398 4.718 4.320 0.000 0.000 0.310 223 A C -0.720 176.861 177.584 -0.004 0.000 1.152 223 A CA -0.568 51.467 52.037 -0.002 0.000 0.783 223 A CB 1.078 20.080 19.000 0.003 0.000 1.184 223 A HN 0.625 nan 8.150 nan 0.000 0.474 224 D N 2.739 123.135 120.400 -0.007 0.000 2.453 224 D HA 0.467 5.107 4.640 0.000 0.000 0.223 224 D C -0.024 176.277 176.300 0.001 0.000 1.183 224 D CA 0.434 54.430 54.000 -0.007 0.000 0.933 224 D CB -0.365 40.427 40.800 -0.013 0.000 1.038 224 D HN 0.649 nan 8.370 nan 0.000 0.513 225 K N 0.653 121.057 120.400 0.007 0.000 3.663 225 K HA 0.168 4.488 4.320 0.000 0.000 0.413 225 K C -1.269 175.342 176.600 0.019 0.000 1.089 225 K CA -1.161 55.133 56.287 0.013 0.000 0.860 225 K CB 0.251 32.757 32.500 0.010 0.000 1.492 225 K HN -0.024 nan 8.250 nan 0.000 0.517 226 K N 0.510 120.923 120.400 0.022 0.000 2.087 226 K HA 0.584 4.904 4.320 0.000 0.000 0.255 226 K C -0.605 176.010 176.600 0.026 0.000 0.988 226 K CA -0.698 55.605 56.287 0.027 0.000 0.915 226 K CB 0.921 33.438 32.500 0.028 0.000 1.043 226 K HN 0.391 nan 8.250 nan 0.000 0.457 227 I N 0.845 121.434 120.570 0.031 0.000 2.512 227 I HA 0.075 4.245 4.170 0.000 0.000 0.287 227 I C 0.122 176.261 176.117 0.036 0.000 1.069 227 I CA -0.048 61.271 61.300 0.031 0.000 1.056 227 I CB 2.058 40.077 38.000 0.032 0.000 1.229 227 I HN 0.633 nan 8.210 nan 0.000 0.429 228 S N 3.918 119.636 115.700 0.030 0.000 2.700 228 S HA 0.245 4.715 4.470 0.000 0.000 0.272 228 S C -0.105 174.509 174.600 0.024 0.000 1.052 228 S CA -0.171 58.048 58.200 0.030 0.000 1.317 228 S CB 0.284 63.501 63.200 0.028 0.000 1.212 228 S HN 0.598 nan 8.310 nan 0.000 0.675 229 N N 2.744 121.457 118.700 0.020 0.000 2.699 229 N HA 0.301 5.042 4.740 0.000 0.000 0.232 229 N C 0.740 176.259 175.510 0.015 0.000 1.027 229 N CA -0.118 52.941 53.050 0.015 0.000 0.920 229 N CB 1.084 39.578 38.487 0.012 0.000 1.148 229 N HN 0.425 nan 8.380 nan 0.000 0.509 230 I N 1.584 122.164 120.570 0.016 0.000 2.479 230 I HA -0.280 3.890 4.170 0.000 0.000 0.258 230 I C 2.198 178.321 176.117 0.010 0.000 1.165 230 I CA 1.246 62.556 61.300 0.016 0.000 1.422 230 I CB 0.198 38.208 38.000 0.016 0.000 1.087 230 I HN 0.387 nan 8.210 nan 0.000 0.441 231 R N 0.922 121.426 120.500 0.007 0.000 2.355 231 R HA -0.174 4.166 4.340 0.000 0.000 0.219 231 R C 1.474 177.776 176.300 0.003 0.000 1.107 231 R CA 1.373 57.475 56.100 0.004 0.000 1.021 231 R CB -0.057 30.244 30.300 0.003 0.000 0.852 231 R HN 0.579 nan 8.270 nan 0.000 0.475 232 E N -1.034 119.168 120.200 0.004 0.000 2.452 232 E HA -0.001 4.349 4.350 0.000 0.000 0.197 232 E C 1.430 178.031 176.600 0.000 0.000 1.022 232 E CA 0.062 56.463 56.400 0.002 0.000 0.890 232 E CB 0.362 30.064 29.700 0.004 0.000 0.918 232 E HN 0.257 nan 8.360 nan 0.000 0.496 233 M N 0.281 119.884 119.600 0.004 0.000 2.394 233 M HA 0.059 4.539 4.480 0.000 0.000 0.266 233 M C 2.145 178.443 176.300 -0.004 0.000 1.098 233 M CA 0.805 56.107 55.300 0.003 0.000 1.149 233 M CB -0.501 32.107 32.600 0.013 0.000 1.369 233 M HN 0.138 nan 8.290 nan 0.000 0.450 234 L N 1.123 122.345 121.223 -0.003 0.000 1.997 234 L HA -0.200 4.140 4.340 0.000 0.000 0.216 234 L C -0.284 176.578 176.870 -0.013 0.000 1.074 234 L CA 1.665 56.501 54.840 -0.006 0.000 0.763 234 L CB -2.666 39.391 42.059 -0.004 0.000 0.890 234 L HN 0.185 nan 8.230 nan 0.000 0.434 235 P HA -0.110 nan 4.420 nan 0.000 0.226 235 P C 0.771 178.052 177.300 -0.033 0.000 1.146 235 P CA 1.353 64.440 63.100 -0.021 0.000 0.773 235 P CB 0.188 31.878 31.700 -0.018 0.000 0.772 236 V N -0.908 118.984 119.914 -0.036 0.000 3.047 236 V HA 0.207 4.327 4.120 0.000 0.000 0.374 236 V C 1.152 177.211 176.094 -0.057 0.000 1.399 236 V CA -0.025 62.240 62.300 -0.058 0.000 1.251 236 V CB 0.535 32.322 31.823 -0.060 0.000 1.228 236 V HN 0.017 nan 8.190 nan 0.000 0.589 237 L N -1.260 119.941 121.223 -0.037 0.000 2.854 237 L HA 0.404 4.745 4.340 0.000 0.000 0.249 237 L C 1.929 178.789 176.870 -0.018 0.000 1.091 237 L CA 0.748 55.575 54.840 -0.021 0.000 0.935 237 L CB 0.919 42.978 42.059 -0.001 0.000 1.367 237 L HN 0.221 nan 8.230 nan 0.000 0.524 238 E N 0.444 120.631 120.200 -0.021 0.000 2.285 238 E HA 0.002 4.352 4.350 0.000 0.000 0.194 238 E C 1.612 178.197 176.600 -0.026 0.000 0.997 238 E CA 0.693 57.084 56.400 -0.015 0.000 0.845 238 E CB 0.147 29.839 29.700 -0.013 0.000 0.782 238 E HN 0.510 nan 8.360 nan 0.000 0.491 239 A N 0.661 123.450 122.820 -0.050 0.000 2.250 239 A HA 0.041 4.361 4.320 0.000 0.000 0.208 239 A C 1.625 179.146 177.584 -0.106 0.000 1.254 239 A CA 0.427 52.416 52.037 -0.080 0.000 0.858 239 A CB 0.077 19.011 19.000 -0.111 0.000 0.820 239 A HN 0.078 nan 8.150 nan 0.000 0.484 240 V N -2.083 117.799 119.914 -0.053 0.000 3.473 240 V HA 0.090 4.210 4.120 0.000 0.000 0.253 240 V C 2.501 178.621 176.094 0.042 0.000 1.340 240 V CA 0.941 63.237 62.300 -0.007 0.000 1.103 240 V CB 0.100 31.930 31.823 0.012 0.000 0.881 240 V HN 0.488 nan 8.190 nan 0.000 0.451 241 A N -0.088 122.746 122.820 0.024 0.000 2.067 241 A HA -0.073 4.247 4.320 0.000 0.000 0.219 241 A C 1.430 179.034 177.584 0.032 0.000 1.158 241 A CA 0.971 53.026 52.037 0.030 0.000 0.661 241 A CB -0.184 18.827 19.000 0.018 0.000 0.801 241 A HN 0.401 nan 8.150 nan 0.000 0.452 242 K N 0.078 120.493 120.400 0.024 0.000 2.285 242 K HA 0.427 4.747 4.320 0.000 0.000 0.286 242 K C 0.041 176.675 176.600 0.056 0.000 1.072 242 K CA 0.438 56.741 56.287 0.027 0.000 0.913 242 K CB 0.106 32.610 32.500 0.008 0.000 1.067 242 K HN 0.857 nan 8.250 nan 0.000 0.479 243 A N 3.127 125.987 122.820 0.067 0.000 2.971 243 A HA -0.125 4.195 4.320 0.000 0.000 0.280 243 A C 0.638 178.296 177.584 0.125 0.000 1.430 243 A CA 0.389 52.486 52.037 0.099 0.000 0.749 243 A CB -2.269 16.817 19.000 0.143 0.000 1.038 243 A HN 1.104 nan 8.150 nan 0.000 0.510 244 G N 0.287 109.139 108.800 0.086 0.000 2.526 244 G HA2 0.092 4.052 3.960 0.000 0.000 0.307 244 G HA3 0.092 4.052 3.960 0.000 0.000 0.307 244 G C 0.194 175.151 174.900 0.096 0.000 0.456 244 G CA 1.138 46.287 45.100 0.083 0.000 1.625 244 G HN 0.835 nan 8.290 nan 0.000 0.392 245 K N 2.903 123.400 120.400 0.161 0.000 2.425 245 K HA 0.259 4.579 4.320 0.000 0.000 0.259 245 K C -2.109 174.600 176.600 0.182 0.000 0.978 245 K CA -1.816 54.555 56.287 0.141 0.000 0.883 245 K CB 2.413 34.984 32.500 0.118 0.000 1.110 245 K HN 0.184 nan 8.250 nan 0.000 0.436 246 P HA -0.140 nan 4.420 nan 0.000 0.268 246 P C -0.801 176.584 177.300 0.142 0.000 1.189 246 P CA -0.238 62.923 63.100 0.103 0.000 0.771 246 P CB 0.616 32.355 31.700 0.064 0.000 0.822 247 L N 2.622 123.921 121.223 0.127 0.000 2.362 247 L HA 0.582 4.922 4.340 0.000 0.000 0.271 247 L C -1.162 175.752 176.870 0.074 0.000 1.002 247 L CA -1.053 53.868 54.840 0.135 0.000 0.818 247 L CB 1.590 43.721 42.059 0.120 0.000 1.298 247 L HN 0.215 nan 8.230 nan 0.000 0.420 248 L N 5.471 126.739 121.223 0.076 0.000 2.305 248 L HA 0.608 4.948 4.340 0.000 0.000 0.284 248 L C -1.197 175.696 176.870 0.039 0.000 1.013 248 L CA -0.178 54.682 54.840 0.034 0.000 0.819 248 L CB 1.188 43.276 42.059 0.048 0.000 1.227 248 L HN 0.424 nan 8.230 nan 0.000 0.417 249 I N 6.957 127.531 120.570 0.006 0.000 2.339 249 I HA 0.349 4.519 4.170 0.000 0.000 0.290 249 I C -0.261 175.872 176.117 0.027 0.000 0.994 249 I CA -0.236 61.075 61.300 0.018 0.000 1.191 249 I CB 1.229 39.235 38.000 0.011 0.000 1.343 249 I HN 0.564 nan 8.210 nan 0.000 0.458 250 I N 5.763 126.355 120.570 0.036 0.000 2.411 250 I HA 0.642 4.812 4.170 0.000 0.000 0.284 250 I C -0.005 176.119 176.117 0.013 0.000 1.012 250 I CA -0.223 61.099 61.300 0.036 0.000 1.119 250 I CB 1.772 39.792 38.000 0.034 0.000 1.261 250 I HN 0.707 nan 8.210 nan 0.000 0.448 251 A N 4.505 127.335 122.820 0.017 0.000 2.593 251 A HA 0.390 4.710 4.320 0.000 0.000 0.290 251 A C 0.664 178.259 177.584 0.017 0.000 1.126 251 A CA -0.555 51.489 52.037 0.011 0.000 0.695 251 A CB 1.419 20.431 19.000 0.019 0.000 1.290 251 A HN 0.742 nan 8.150 nan 0.000 0.414 252 E N -0.496 119.714 120.200 0.017 0.000 2.147 252 E HA -0.193 4.157 4.350 0.000 0.000 0.199 252 E C -0.069 176.555 176.600 0.039 0.000 1.005 252 E CA 2.072 58.489 56.400 0.027 0.000 0.810 252 E CB 0.076 29.794 29.700 0.029 0.000 0.736 252 E HN 0.626 nan 8.360 nan 0.000 0.460 253 D N -2.659 117.765 120.400 0.040 0.000 2.997 253 D HA 0.108 4.748 4.640 0.000 0.000 0.276 253 D C -2.047 174.283 176.300 0.051 0.000 1.141 253 D CA -0.434 53.595 54.000 0.049 0.000 0.727 253 D CB 1.294 42.123 40.800 0.049 0.000 1.306 253 D HN -0.119 nan 8.370 nan 0.000 0.439 254 V N 2.116 122.068 119.914 0.064 0.000 2.483 254 V HA 0.493 4.613 4.120 0.000 0.000 0.297 254 V C -0.402 175.738 176.094 0.076 0.000 1.027 254 V CA -0.605 61.737 62.300 0.070 0.000 0.855 254 V CB 1.607 33.483 31.823 0.088 0.000 0.995 254 V HN 0.428 nan 8.190 nan 0.000 0.424 255 E N 2.668 122.904 120.200 0.061 0.000 2.202 255 E HA 0.519 4.869 4.350 0.000 0.000 0.272 255 E C 1.266 177.896 176.600 0.050 0.000 0.951 255 E CA -0.204 56.229 56.400 0.055 0.000 0.813 255 E CB 1.972 31.698 29.700 0.042 0.000 1.151 255 E HN 0.718 nan 8.360 nan 0.000 0.398 256 G N 2.580 111.408 108.800 0.046 0.000 3.359 256 G HA2 -0.476 3.484 3.960 0.000 0.000 0.338 256 G HA3 -0.476 3.484 3.960 0.000 0.000 0.338 256 G C 1.282 176.198 174.900 0.027 0.000 1.486 256 G CA 1.669 46.790 45.100 0.035 0.000 1.570 256 G HN 0.668 nan 8.290 nan 0.000 1.093 257 E N 1.128 121.342 120.200 0.023 0.000 2.012 257 E HA -0.149 4.201 4.350 0.000 0.000 0.211 257 E C 2.975 179.587 176.600 0.021 0.000 1.029 257 E CA 1.960 58.370 56.400 0.016 0.000 0.867 257 E CB -0.938 28.771 29.700 0.016 0.000 0.790 257 E HN 0.588 nan 8.360 nan 0.000 0.482 258 A N 0.653 123.491 122.820 0.030 0.000 2.121 258 A HA -0.118 4.202 4.320 0.000 0.000 0.218 258 A C 2.128 179.747 177.584 0.059 0.000 1.154 258 A CA 1.228 53.288 52.037 0.038 0.000 0.679 258 A CB -0.406 18.617 19.000 0.040 0.000 0.795 258 A HN 0.350 nan 8.150 nan 0.000 0.458 259 L N -0.488 120.775 121.223 0.067 0.000 2.049 259 L HA 0.149 4.489 4.340 0.000 0.000 0.203 259 L C 2.538 179.445 176.870 0.062 0.000 1.074 259 L CA 2.201 57.103 54.840 0.103 0.000 0.749 259 L CB -1.074 41.051 42.059 0.110 0.000 0.907 259 L HN 0.250 nan 8.230 nan 0.000 0.439 260 A N -1.485 121.345 122.820 0.016 0.000 2.015 260 A HA -0.155 4.165 4.320 0.000 0.000 0.219 260 A C 2.198 179.746 177.584 -0.059 0.000 1.163 260 A CA 1.984 53.996 52.037 -0.042 0.000 0.646 260 A CB -1.181 17.796 19.000 -0.039 0.000 0.806 260 A HN 0.527 nan 8.150 nan 0.000 0.448 261 T N 0.359 114.901 114.554 -0.020 0.000 2.833 261 T HA -0.077 4.273 4.350 0.000 0.000 0.269 261 T C 1.689 176.380 174.700 -0.015 0.000 1.054 261 T CA 1.467 63.556 62.100 -0.018 0.000 1.135 261 T CB -0.291 68.579 68.868 0.004 0.000 0.869 261 T HN 0.415 nan 8.240 nan 0.000 0.466 262 L N 0.423 121.657 121.223 0.018 0.000 2.127 262 L HA 0.043 4.383 4.340 0.000 0.000 0.203 262 L C 2.497 179.324 176.870 -0.071 0.000 1.080 262 L CA 0.513 55.388 54.840 0.059 0.000 0.768 262 L CB -0.502 41.690 42.059 0.222 0.000 0.924 262 L HN 0.102 nan 8.230 nan 0.000 0.444 263 V N -0.489 119.292 119.914 -0.222 0.000 2.828 263 V HA -0.217 3.904 4.120 0.000 0.000 0.260 263 V C 2.284 178.168 176.094 -0.350 0.000 1.101 263 V CA 1.036 63.047 62.300 -0.480 0.000 1.123 263 V CB -0.513 31.032 31.823 -0.464 0.000 0.704 263 V HN 0.189 nan 8.190 nan 0.000 0.493 264 V N 0.551 120.338 119.914 -0.213 0.000 2.251 264 V HA -0.196 3.925 4.120 0.000 0.000 0.237 264 V C 2.068 178.094 176.094 -0.114 0.000 1.040 264 V CA 2.243 64.443 62.300 -0.167 0.000 1.005 264 V CB -0.800 30.957 31.823 -0.111 0.000 0.645 264 V HN 0.565 nan 8.190 nan 0.000 0.458 265 N N 0.526 119.189 118.700 -0.062 0.000 2.322 265 N HA -0.202 4.538 4.740 0.000 0.000 0.189 265 N C 1.538 177.041 175.510 -0.013 0.000 1.012 265 N CA 1.692 54.728 53.050 -0.024 0.000 0.880 265 N CB -0.159 38.333 38.487 0.008 0.000 0.967 265 N HN 0.708 nan 8.380 nan 0.000 0.439 266 T N -2.641 111.894 114.554 -0.031 0.000 3.129 266 T HA 0.138 4.488 4.350 0.000 0.000 0.251 266 T C 1.471 176.155 174.700 -0.027 0.000 1.117 266 T CA 0.238 62.338 62.100 0.001 0.000 1.034 266 T CB 0.238 69.121 68.868 0.026 0.000 0.968 266 T HN 0.001 nan 8.240 nan 0.000 0.526 267 M N 0.279 119.841 119.600 -0.064 0.000 2.730 267 M HA 0.453 4.933 4.480 0.000 0.000 0.258 267 M C 1.971 178.247 176.300 -0.040 0.000 1.279 267 M CA 0.514 55.779 55.300 -0.059 0.000 1.183 267 M CB 0.406 32.939 32.600 -0.112 0.000 1.291 267 M HN -0.029 nan 8.290 nan 0.000 0.518 268 R N -0.167 120.308 120.500 -0.042 0.000 2.319 268 R HA 0.245 4.585 4.340 0.000 0.000 0.204 268 R C 1.056 177.348 176.300 -0.013 0.000 0.954 268 R CA 0.649 56.731 56.100 -0.029 0.000 1.066 268 R CB -0.331 29.950 30.300 -0.032 0.000 0.991 268 R HN 0.593 nan 8.270 nan 0.000 0.486 269 G N 1.798 110.595 108.800 -0.006 0.000 2.205 269 G HA2 -0.304 3.656 3.960 0.000 0.000 0.269 269 G HA3 -0.304 3.656 3.960 0.000 0.000 0.269 269 G C 0.399 175.306 174.900 0.012 0.000 0.977 269 G CA 0.334 45.438 45.100 0.007 0.000 0.652 269 G HN 0.379 nan 8.290 nan 0.000 0.539 270 I N 1.390 121.965 120.570 0.007 0.000 2.352 270 I HA 0.343 4.513 4.170 0.000 0.000 0.303 270 I C 0.679 176.810 176.117 0.023 0.000 1.194 270 I CA -0.291 61.016 61.300 0.012 0.000 1.518 270 I CB -0.013 37.989 38.000 0.004 0.000 1.489 270 I HN 0.091 nan 8.210 nan 0.000 0.702 271 V N 4.857 124.790 119.914 0.032 0.000 3.418 271 V HA -0.219 3.901 4.120 0.000 0.000 0.479 271 V C 0.263 176.395 176.094 0.063 0.000 0.682 271 V CA 0.231 62.559 62.300 0.047 0.000 2.011 271 V CB -1.201 30.649 31.823 0.045 0.000 2.457 271 V HN 0.970 nan 8.190 nan 0.000 0.501 272 K N 4.979 125.423 120.400 0.073 0.000 2.211 272 K HA 0.846 5.166 4.320 0.000 0.000 0.275 272 K C -0.336 176.336 176.600 0.120 0.000 1.024 272 K CA -0.499 55.848 56.287 0.100 0.000 0.887 272 K CB 2.430 34.981 32.500 0.086 0.000 1.084 272 K HN 1.000 nan 8.250 nan 0.000 0.463 273 V N -1.634 118.384 119.914 0.173 0.000 3.156 273 V HA 0.956 5.076 4.120 0.000 0.000 0.310 273 V C -1.158 175.017 176.094 0.135 0.000 1.234 273 V CA -1.069 61.312 62.300 0.135 0.000 1.065 273 V CB 1.487 33.379 31.823 0.115 0.000 1.088 273 V HN 1.040 nan 8.190 nan 0.000 0.451 274 A N -0.085 122.645 122.820 -0.149 0.000 2.540 274 A HA 1.007 5.327 4.320 0.000 0.000 0.297 274 A C -0.605 176.661 177.584 -0.531 0.000 1.056 274 A CA -0.070 51.516 52.037 -0.751 0.000 0.700 274 A CB 1.304 20.037 19.000 -0.445 0.000 1.280 274 A HN 2.524 nan 8.150 nan 0.000 0.398 275 A N 0.933 123.334 122.820 -0.699 0.000 2.401 275 A HA 0.916 5.236 4.320 0.000 0.000 0.310 275 A C -0.337 177.155 177.584 -0.153 0.000 1.075 275 A CA -0.112 51.773 52.037 -0.254 0.000 0.746 275 A CB 1.454 20.390 19.000 -0.108 0.000 1.277 275 A HN 2.298 nan 8.150 nan 0.000 0.425 276 V N -0.965 118.939 119.914 -0.016 0.000 2.962 276 V HA 0.656 4.776 4.120 0.000 0.000 0.313 276 V C -0.317 175.836 176.094 0.098 0.000 1.099 276 V CA -1.143 61.191 62.300 0.058 0.000 0.971 276 V CB 1.544 33.423 31.823 0.092 0.000 1.028 276 V HN 0.961 nan 8.190 nan 0.000 0.430 277 K N 2.307 122.768 120.400 0.102 0.000 2.350 277 K HA 0.628 4.948 4.320 0.000 0.000 0.279 277 K C 0.589 177.250 176.600 0.101 0.000 1.027 277 K CA 0.343 56.683 56.287 0.089 0.000 0.969 277 K CB 0.980 33.527 32.500 0.078 0.000 0.954 277 K HN 1.264 nan 8.250 nan 0.000 0.474 278 A N 5.757 128.600 122.820 0.039 0.000 2.577 278 A HA 0.113 4.433 4.320 0.000 0.000 0.233 278 A C -2.124 175.439 177.584 -0.034 0.000 1.076 278 A CA -0.710 51.298 52.037 -0.048 0.000 0.767 278 A CB -0.462 18.504 19.000 -0.056 0.000 1.017 278 A HN 0.635 nan 8.150 nan 0.000 0.511 279 P HA 0.405 nan 4.420 nan 0.000 0.279 279 P C 0.690 177.992 177.300 0.003 0.000 1.239 279 P CA 1.303 64.362 63.100 -0.067 0.000 0.789 279 P CB 0.774 32.317 31.700 -0.261 0.000 0.933 280 G N 2.572 111.428 108.800 0.093 0.000 2.633 280 G HA2 -0.113 3.847 3.960 0.000 0.000 0.263 280 G HA3 -0.113 3.847 3.960 0.000 0.000 0.263 280 G C -0.757 174.300 174.900 0.263 0.000 1.310 280 G CA 0.270 45.476 45.100 0.176 0.000 0.914 280 G HN 0.776 nan 8.290 nan 0.000 0.569 281 F N -2.349 117.605 119.950 0.006 0.000 2.686 281 F HA 0.804 5.331 4.527 0.000 0.000 0.311 281 F C 0.717 176.523 175.800 0.009 0.000 1.128 281 F CA 0.204 58.208 58.000 0.007 0.000 0.946 281 F CB 1.074 40.084 39.000 0.016 0.000 1.336 281 F HN 2.565 nan 8.300 nan 0.000 0.457 282 G N 1.616 110.324 108.800 -0.154 0.000 2.593 282 G HA2 -0.231 3.729 3.960 0.000 0.000 0.237 282 G HA3 -0.231 3.729 3.960 0.000 0.000 0.237 282 G C 0.049 174.841 174.900 -0.181 0.000 1.312 282 G CA 0.180 45.128 45.100 -0.253 0.000 0.896 282 G HN 0.924 nan 8.290 nan 0.000 0.574 283 D N 0.374 120.674 120.400 -0.168 0.000 2.265 283 D HA -0.081 4.559 4.640 0.000 0.000 0.208 283 D C 2.500 178.728 176.300 -0.121 0.000 0.977 283 D CA 1.404 55.336 54.000 -0.113 0.000 0.871 283 D CB -0.069 40.676 40.800 -0.091 0.000 0.925 283 D HN 0.533 nan 8.370 nan 0.000 0.485 284 R N 0.435 120.830 120.500 -0.174 0.000 2.055 284 R HA 0.042 4.382 4.340 0.000 0.000 0.226 284 R C 2.411 178.642 176.300 -0.115 0.000 1.135 284 R CA 0.338 56.350 56.100 -0.147 0.000 0.959 284 R CB -0.229 29.962 30.300 -0.182 0.000 0.854 284 R HN 0.055 nan 8.270 nan 0.000 0.431 285 R N 1.941 122.374 120.500 -0.112 0.000 2.103 285 R HA -0.186 4.154 4.340 0.000 0.000 0.242 285 R C 1.788 178.043 176.300 -0.075 0.000 1.142 285 R CA 1.802 57.858 56.100 -0.073 0.000 0.960 285 R CB -0.045 30.239 30.300 -0.027 0.000 0.858 285 R HN 0.157 nan 8.270 nan 0.000 0.439 286 K N -0.419 119.940 120.400 -0.068 0.000 2.103 286 K HA -0.116 4.204 4.320 0.000 0.000 0.207 286 K C 2.052 178.615 176.600 -0.061 0.000 1.048 286 K CA 1.529 57.783 56.287 -0.056 0.000 0.930 286 K CB -0.108 32.363 32.500 -0.048 0.000 0.716 286 K HN 0.240 nan 8.250 nan 0.000 0.444 287 A N 0.940 123.720 122.820 -0.068 0.000 1.930 287 A HA -0.061 4.259 4.320 0.000 0.000 0.215 287 A C 2.065 179.607 177.584 -0.071 0.000 1.176 287 A CA 1.024 53.023 52.037 -0.064 0.000 0.632 287 A CB -0.317 18.644 19.000 -0.065 0.000 0.819 287 A HN 0.144 nan 8.150 nan 0.000 0.445 288 M N -0.476 119.072 119.600 -0.087 0.000 2.213 288 M HA -0.067 4.413 4.480 0.000 0.000 0.263 288 M C 2.022 178.247 176.300 -0.125 0.000 1.062 288 M CA 1.054 56.291 55.300 -0.105 0.000 1.105 288 M CB -0.477 32.048 32.600 -0.126 0.000 1.385 288 M HN 0.380 nan 8.290 nan 0.000 0.417 289 L N -0.197 120.956 121.223 -0.116 0.000 2.017 289 L HA -0.253 4.087 4.340 0.000 0.000 0.208 289 L C 2.644 179.468 176.870 -0.077 0.000 1.073 289 L CA 1.400 56.173 54.840 -0.112 0.000 0.745 289 L CB -0.628 41.381 42.059 -0.083 0.000 0.894 289 L HN 0.291 nan 8.230 nan 0.000 0.432 290 Q N 0.464 120.229 119.800 -0.059 0.000 2.152 290 Q HA -0.239 4.101 4.340 0.000 0.000 0.206 290 Q C 1.568 177.546 176.000 -0.038 0.000 0.985 290 Q CA 2.019 57.797 55.803 -0.041 0.000 0.863 290 Q CB -0.187 28.529 28.738 -0.036 0.000 0.904 290 Q HN 0.415 nan 8.270 nan 0.000 0.422 291 D N -0.399 119.972 120.400 -0.048 0.000 2.087 291 D HA -0.165 4.475 4.640 0.000 0.000 0.192 291 D C 1.800 178.081 176.300 -0.031 0.000 0.993 291 D CA 1.656 55.632 54.000 -0.039 0.000 0.828 291 D CB -0.303 40.469 40.800 -0.047 0.000 0.968 291 D HN 0.332 nan 8.370 nan 0.000 0.448 292 I N 0.818 121.359 120.570 -0.049 0.000 2.248 292 I HA -0.317 3.853 4.170 0.000 0.000 0.248 292 I C 2.356 178.469 176.117 -0.007 0.000 1.107 292 I CA 1.097 62.380 61.300 -0.028 0.000 1.373 292 I CB -0.313 37.645 38.000 -0.070 0.000 1.055 292 I HN -0.026 nan 8.210 nan 0.000 0.418 293 A N 0.417 123.227 122.820 -0.016 0.000 1.877 293 A HA -0.206 4.114 4.320 0.000 0.000 0.216 293 A C 2.401 179.988 177.584 0.005 0.000 1.186 293 A CA 2.496 54.532 52.037 -0.002 0.000 0.620 293 A CB -1.080 17.915 19.000 -0.008 0.000 0.822 293 A HN 0.363 nan 8.150 nan 0.000 0.443 294 T N 0.431 114.984 114.554 -0.002 0.000 2.674 294 T HA -0.118 4.232 4.350 0.000 0.000 0.265 294 T C 1.829 176.533 174.700 0.006 0.000 1.039 294 T CA 1.280 63.380 62.100 0.001 0.000 1.150 294 T CB -0.380 68.486 68.868 -0.004 0.000 0.864 294 T HN 0.304 nan 8.240 nan 0.000 0.427 295 L N 2.062 123.289 121.223 0.007 0.000 2.263 295 L HA -0.084 4.256 4.340 0.000 0.000 0.216 295 L C 1.825 178.705 176.870 0.018 0.000 1.111 295 L CA 2.149 56.996 54.840 0.012 0.000 0.773 295 L CB -1.143 40.926 42.059 0.017 0.000 0.906 295 L HN 0.483 nan 8.230 nan 0.000 0.439 296 T N -3.763 110.804 114.554 0.022 0.000 3.182 296 T HA 0.375 4.725 4.350 0.000 0.000 0.277 296 T C 0.872 175.591 174.700 0.032 0.000 1.013 296 T CA 0.146 62.263 62.100 0.028 0.000 0.900 296 T CB -0.193 68.699 68.868 0.040 0.000 1.098 296 T HN 0.517 nan 8.240 nan 0.000 0.543 297 G N 0.015 108.831 108.800 0.026 0.000 2.402 297 G HA2 0.372 4.332 3.960 0.000 0.000 0.206 297 G HA3 0.372 4.332 3.960 0.000 0.000 0.206 297 G C 0.263 175.190 174.900 0.044 0.000 0.637 297 G CA -0.142 44.976 45.100 0.030 0.000 0.974 297 G HN 1.617 nan 8.290 nan 0.000 0.308 298 G N 0.301 109.122 108.800 0.034 0.000 2.317 298 G HA2 0.964 4.924 3.960 0.000 0.000 0.293 298 G HA3 0.964 4.924 3.960 0.000 0.000 0.293 298 G C -0.482 174.430 174.900 0.020 0.000 1.287 298 G CA 0.529 45.651 45.100 0.037 0.000 0.850 298 G HN 2.185 nan 8.290 nan 0.000 0.515 299 T N -2.097 112.466 114.554 0.015 0.000 2.903 299 T HA 0.747 5.097 4.350 0.000 0.000 0.299 299 T C 0.113 174.813 174.700 0.000 0.000 1.093 299 T CA -0.183 61.919 62.100 0.004 0.000 1.002 299 T CB 1.356 70.225 68.868 0.001 0.000 1.127 299 T HN 1.859 nan 8.240 nan 0.000 0.488 300 V N 0.014 119.925 119.914 -0.006 0.000 2.775 300 V HA 0.598 4.718 4.120 0.000 0.000 0.299 300 V C -0.083 176.005 176.094 -0.009 0.000 1.062 300 V CA -0.800 61.494 62.300 -0.010 0.000 1.063 300 V CB 0.129 31.941 31.823 -0.018 0.000 0.994 300 V HN 0.892 nan 8.190 nan 0.000 0.483 301 I N 4.394 124.959 120.570 -0.008 0.000 2.388 301 I HA 0.411 4.581 4.170 0.000 0.000 0.281 301 I C 0.138 176.251 176.117 -0.007 0.000 1.046 301 I CA -0.053 61.243 61.300 -0.007 0.000 1.187 301 I CB 1.232 39.228 38.000 -0.006 0.000 1.351 301 I HN 0.876 nan 8.210 nan 0.000 0.472 302 S N 2.688 118.383 115.700 -0.008 0.000 2.482 302 S HA 0.401 4.871 4.470 0.000 0.000 0.303 302 S C 0.558 175.155 174.600 -0.005 0.000 1.091 302 S CA -0.848 57.348 58.200 -0.007 0.000 1.057 302 S CB 2.074 65.269 63.200 -0.010 0.000 1.031 302 S HN 0.588 nan 8.310 nan 0.000 0.485 303 E N 1.668 121.867 120.200 -0.002 0.000 2.204 303 E HA -0.182 4.168 4.350 0.000 0.000 0.195 303 E C 1.190 177.788 176.600 -0.002 0.000 0.990 303 E CA 1.176 57.575 56.400 -0.001 0.000 0.821 303 E CB -0.178 29.522 29.700 0.001 0.000 0.750 303 E HN 0.810 nan 8.360 nan 0.000 0.477 304 E N 0.192 120.390 120.200 -0.003 0.000 2.339 304 E HA -0.179 4.171 4.350 0.000 0.000 0.201 304 E C 0.870 177.467 176.600 -0.005 0.000 1.015 304 E CA 0.734 57.131 56.400 -0.004 0.000 0.841 304 E CB -0.023 29.673 29.700 -0.007 0.000 0.754 304 E HN 0.377 nan 8.360 nan 0.000 0.508 305 I N -0.904 119.663 120.570 -0.005 0.000 3.171 305 I HA 0.191 4.361 4.170 0.000 0.000 0.329 305 I C 0.910 177.025 176.117 -0.004 0.000 1.522 305 I CA -0.131 61.166 61.300 -0.005 0.000 0.948 305 I CB 0.928 38.924 38.000 -0.006 0.000 1.527 305 I HN 0.108 nan 8.210 nan 0.000 0.547 306 G N 1.670 110.468 108.800 -0.003 0.000 2.302 306 G HA2 -0.343 3.617 3.960 0.000 0.000 0.263 306 G HA3 -0.343 3.617 3.960 0.000 0.000 0.263 306 G C 0.580 175.478 174.900 -0.003 0.000 0.995 306 G CA 0.124 45.222 45.100 -0.003 0.000 0.622 306 G HN 0.394 nan 8.290 nan 0.000 0.538 307 M N 1.322 120.920 119.600 -0.004 0.000 2.261 307 M HA 0.246 4.727 4.480 0.000 0.000 0.350 307 M C 0.637 176.934 176.300 -0.004 0.000 1.343 307 M CA 1.078 56.375 55.300 -0.005 0.000 1.003 307 M CB 0.228 32.824 32.600 -0.006 0.000 1.848 307 M HN 0.312 nan 8.290 nan 0.000 0.456 308 E N 2.337 122.534 120.200 -0.005 0.000 2.281 308 E HA 0.298 4.648 4.350 0.000 0.000 0.262 308 E C 0.333 176.928 176.600 -0.007 0.000 0.933 308 E CA -0.705 55.693 56.400 -0.005 0.000 0.809 308 E CB 1.672 31.370 29.700 -0.004 0.000 1.242 308 E HN 0.668 nan 8.360 nan 0.000 0.418 309 L N 1.091 122.311 121.223 -0.006 0.000 2.465 309 L HA -0.130 4.210 4.340 0.000 0.000 0.224 309 L C 1.487 178.349 176.870 -0.013 0.000 1.145 309 L CA 0.841 55.676 54.840 -0.009 0.000 0.834 309 L CB -0.196 41.860 42.059 -0.005 0.000 0.944 309 L HN 0.460 nan 8.230 nan 0.000 0.451 310 E N 0.305 120.499 120.200 -0.011 0.000 2.140 310 E HA -0.065 4.285 4.350 0.000 0.000 0.191 310 E C 1.226 177.816 176.600 -0.016 0.000 0.973 310 E CA 0.704 57.096 56.400 -0.014 0.000 0.829 310 E CB 0.064 29.758 29.700 -0.010 0.000 0.781 310 E HN 0.227 nan 8.360 nan 0.000 0.466 311 K N 0.650 121.043 120.400 -0.013 0.000 2.836 311 K HA 0.273 4.593 4.320 0.000 0.000 0.236 311 K C -0.447 176.143 176.600 -0.016 0.000 1.015 311 K CA 0.015 56.294 56.287 -0.013 0.000 1.194 311 K CB 0.239 32.733 32.500 -0.010 0.000 1.002 311 K HN -0.039 nan 8.250 nan 0.000 0.479 312 A N 1.090 123.897 122.820 -0.022 0.000 2.340 312 A HA 0.273 4.593 4.320 0.000 0.000 0.297 312 A C 0.725 178.285 177.584 -0.040 0.000 1.195 312 A CA -0.814 51.207 52.037 -0.028 0.000 0.769 312 A CB 0.546 19.529 19.000 -0.028 0.000 1.163 312 A HN 0.275 nan 8.150 nan 0.000 0.472 313 T N 0.868 115.398 114.554 -0.040 0.000 5.570 313 T HA 0.204 4.554 4.350 0.000 0.000 0.280 313 T C 1.188 175.838 174.700 -0.084 0.000 0.813 313 T CA 1.202 63.272 62.100 -0.051 0.000 1.702 313 T CB -0.211 68.635 68.868 -0.036 0.000 1.406 313 T HN 0.342 nan 8.240 nan 0.000 0.284 314 L N -0.570 120.600 121.223 -0.089 0.000 2.730 314 L HA 0.372 4.712 4.340 0.000 0.000 0.236 314 L C 2.557 179.378 176.870 -0.082 0.000 1.061 314 L CA 0.233 54.981 54.840 -0.153 0.000 0.898 314 L CB 0.070 42.020 42.059 -0.183 0.000 1.270 314 L HN 0.449 nan 8.230 nan 0.000 0.500 315 E N 0.565 120.751 120.200 -0.024 0.000 2.418 315 E HA -0.182 4.168 4.350 0.000 0.000 0.197 315 E C 1.331 177.940 176.600 0.015 0.000 1.026 315 E CA 0.921 57.332 56.400 0.018 0.000 0.862 315 E CB 0.035 29.747 29.700 0.020 0.000 0.799 315 E HN 0.302 nan 8.360 nan 0.000 0.518 316 D N -0.363 120.032 120.400 -0.008 0.000 2.269 316 D HA -0.068 4.572 4.640 0.000 0.000 0.208 316 D C 0.405 176.708 176.300 0.005 0.000 0.963 316 D CA 0.189 54.186 54.000 -0.005 0.000 0.864 316 D CB 0.088 40.878 40.800 -0.017 0.000 0.936 316 D HN 0.194 nan 8.370 nan 0.000 0.505 317 L N 0.570 121.792 121.223 -0.002 0.000 2.453 317 L HA 0.377 4.717 4.340 0.000 0.000 0.261 317 L C 0.902 177.843 176.870 0.119 0.000 1.179 317 L CA 0.013 54.870 54.840 0.028 0.000 0.813 317 L CB 1.167 43.185 42.059 -0.068 0.000 1.110 317 L HN -0.118 nan 8.230 nan 0.000 0.466 318 G N 1.592 110.480 108.800 0.147 0.000 2.502 318 G HA2 0.518 4.478 3.960 0.000 0.000 0.305 318 G HA3 0.518 4.478 3.960 0.000 0.000 0.305 318 G C -1.377 173.653 174.900 0.217 0.000 1.190 318 G CA -0.269 44.919 45.100 0.146 0.000 0.933 318 G HN 0.708 nan 8.290 nan 0.000 0.503 319 Q N -1.015 118.848 119.800 0.104 0.000 2.378 319 Q HA 0.541 4.881 4.340 0.000 0.000 0.262 319 Q C -1.483 174.497 176.000 -0.034 0.000 0.978 319 Q CA -0.732 55.070 55.803 -0.001 0.000 0.918 319 Q CB 1.840 30.547 28.738 -0.053 0.000 1.415 319 Q HN 1.000 nan 8.270 nan 0.000 0.409 320 A N 2.834 125.615 122.820 -0.065 0.000 2.556 320 A HA 0.424 4.744 4.320 0.000 0.000 0.294 320 A C -0.295 177.248 177.584 -0.069 0.000 1.091 320 A CA -0.619 51.392 52.037 -0.045 0.000 0.704 320 A CB 1.854 20.847 19.000 -0.011 0.000 1.300 320 A HN 0.811 nan 8.150 nan 0.000 0.406 321 K N -0.464 119.906 120.400 -0.051 0.000 2.362 321 K HA -0.009 4.311 4.320 0.000 0.000 0.200 321 K C 0.413 176.986 176.600 -0.045 0.000 1.046 321 K CA 1.236 57.491 56.287 -0.053 0.000 0.952 321 K CB -0.001 32.476 32.500 -0.038 0.000 0.753 321 K HN 0.596 nan 8.250 nan 0.000 0.466 322 R N -0.548 119.931 120.500 -0.035 0.000 3.513 322 R HA 0.084 4.424 4.340 0.000 0.000 0.243 322 R C -1.824 174.465 176.300 -0.019 0.000 1.033 322 R CA -0.533 55.551 56.100 -0.026 0.000 1.083 322 R CB 1.105 31.392 30.300 -0.022 0.000 1.246 322 R HN -0.041 nan 8.270 nan 0.000 0.526 323 V N 0.447 120.351 119.914 -0.016 0.000 3.001 323 V HA 0.941 5.061 4.120 0.000 0.000 0.314 323 V C -1.240 174.842 176.094 -0.021 0.000 1.099 323 V CA -0.646 61.644 62.300 -0.018 0.000 0.989 323 V CB 2.321 34.139 31.823 -0.009 0.000 1.040 323 V HN 0.438 nan 8.190 nan 0.000 0.434 324 V N 4.291 124.183 119.914 -0.037 0.000 2.567 324 V HA 0.541 4.661 4.120 0.000 0.000 0.298 324 V C -0.656 175.409 176.094 -0.048 0.000 1.047 324 V CA -0.140 62.144 62.300 -0.027 0.000 0.880 324 V CB 1.547 33.356 31.823 -0.023 0.000 1.009 324 V HN 0.860 nan 8.190 nan 0.000 0.429 325 I N 6.147 126.712 120.570 -0.008 0.000 2.418 325 I HA 0.519 4.689 4.170 0.000 0.000 0.287 325 I C 0.083 176.262 176.117 0.103 0.000 1.008 325 I CA -0.382 60.918 61.300 0.000 0.000 1.104 325 I CB 1.791 39.807 38.000 0.027 0.000 1.264 325 I HN 0.791 nan 8.210 nan 0.000 0.438 326 N N 5.992 124.708 118.700 0.027 0.000 2.992 326 N HA 0.254 4.994 4.740 0.000 0.000 0.338 326 N C 0.729 176.071 175.510 -0.281 0.000 1.376 326 N CA -0.732 52.369 53.050 0.084 0.000 0.778 326 N CB 0.760 39.269 38.487 0.036 0.000 1.232 326 N HN 0.442 nan 8.380 nan 0.000 0.581 327 K N -0.424 119.782 120.400 -0.323 0.000 2.147 327 K HA -0.156 4.164 4.320 0.000 0.000 0.205 327 K C -0.538 175.725 176.600 -0.561 0.000 1.049 327 K CA 2.218 58.071 56.287 -0.724 0.000 0.936 327 K CB -0.195 32.180 32.500 -0.209 0.000 0.722 327 K HN 0.710 nan 8.250 nan 0.000 0.446 328 D N -1.270 118.946 120.400 -0.306 0.000 2.996 328 D HA 0.118 4.758 4.640 0.000 0.000 0.343 328 D C -1.139 175.074 176.300 -0.145 0.000 1.574 328 D CA -0.469 53.412 54.000 -0.199 0.000 0.773 328 D CB 0.940 41.669 40.800 -0.119 0.000 1.241 328 D HN -0.156 nan 8.370 nan 0.000 0.469 329 T N -0.046 114.399 114.554 -0.182 0.000 3.705 329 T HA 0.420 4.770 4.350 0.000 0.000 0.342 329 T C -0.992 173.548 174.700 -0.266 0.000 1.043 329 T CA -0.447 61.541 62.100 -0.188 0.000 1.071 329 T CB 1.840 70.638 68.868 -0.116 0.000 1.124 329 T HN -0.069 nan 8.240 nan 0.000 0.467 330 T N 2.611 116.871 114.554 -0.491 0.000 2.794 330 T HA 0.703 5.053 4.350 0.000 0.000 0.280 330 T C -0.126 174.203 174.700 -0.620 0.000 0.987 330 T CA -0.566 61.157 62.100 -0.629 0.000 0.993 330 T CB 1.481 69.686 68.868 -1.106 0.000 0.939 330 T HN 0.636 nan 8.240 nan 0.000 0.449 331 T N 3.599 117.957 114.554 -0.327 0.000 3.050 331 T HA 0.547 4.897 4.350 0.000 0.000 0.310 331 T C -0.536 174.108 174.700 -0.092 0.000 0.978 331 T CA -0.686 61.300 62.100 -0.190 0.000 1.013 331 T CB -0.025 68.770 68.868 -0.122 0.000 1.000 331 T HN 0.478 nan 8.240 nan 0.000 0.447 332 I N 5.656 126.209 120.570 -0.029 0.000 2.428 332 I HA 0.441 4.611 4.170 0.000 0.000 0.289 332 I C -0.034 176.086 176.117 0.007 0.000 1.019 332 I CA -0.783 60.526 61.300 0.014 0.000 1.351 332 I CB 1.194 39.239 38.000 0.075 0.000 1.412 332 I HN 0.571 nan 8.210 nan 0.000 0.513 333 I N 5.521 126.089 120.570 -0.003 0.000 2.418 333 I HA 0.263 4.433 4.170 0.000 0.000 0.287 333 I C -0.673 175.439 176.117 -0.008 0.000 1.008 333 I CA -0.581 60.715 61.300 -0.007 0.000 1.104 333 I CB 1.460 39.451 38.000 -0.015 0.000 1.264 333 I HN 0.589 nan 8.210 nan 0.000 0.438 334 D N 4.893 125.290 120.400 -0.005 0.000 4.844 334 D HA -0.113 4.527 4.640 0.000 0.000 0.239 334 D C -0.266 176.030 176.300 -0.007 0.000 1.115 334 D CA 0.887 54.882 54.000 -0.008 0.000 1.241 334 D CB 0.139 40.931 40.800 -0.014 0.000 0.748 334 D HN 0.849 nan 8.370 nan 0.000 0.368 335 G N 1.777 110.576 108.800 -0.001 0.000 2.371 335 G HA2 0.485 4.445 3.960 0.000 0.000 0.326 335 G HA3 0.485 4.445 3.960 0.000 0.000 0.326 335 G C 1.217 176.116 174.900 -0.002 0.000 1.127 335 G CA -0.528 44.573 45.100 0.002 0.000 0.885 335 G HN 0.368 nan 8.290 nan 0.000 0.477 336 V N 2.185 122.097 119.914 -0.004 0.000 3.488 336 V HA 0.035 4.155 4.120 0.000 0.000 0.273 336 V C 1.952 178.049 176.094 0.005 0.000 1.209 336 V CA 0.580 62.878 62.300 -0.003 0.000 1.179 336 V CB -1.262 30.559 31.823 -0.005 0.000 0.842 336 V HN 0.759 nan 8.190 nan 0.000 0.515 337 G N 0.903 109.708 108.800 0.007 0.000 2.353 337 G HA2 0.109 4.069 3.960 0.000 0.000 0.239 337 G HA3 0.109 4.069 3.960 0.000 0.000 0.239 337 G C 0.049 174.953 174.900 0.005 0.000 1.295 337 G CA -0.350 44.755 45.100 0.008 0.000 0.884 337 G HN 0.336 nan 8.290 nan 0.000 0.537 338 E N 2.187 122.390 120.200 0.006 0.000 2.415 338 E HA -0.027 4.323 4.350 0.000 0.000 0.260 338 E C 1.339 177.940 176.600 0.002 0.000 1.016 338 E CA -0.075 56.327 56.400 0.004 0.000 0.924 338 E CB 0.749 30.451 29.700 0.004 0.000 0.961 338 E HN 0.618 nan 8.360 nan 0.000 0.459 339 E N 2.095 122.296 120.200 0.001 0.000 2.333 339 E HA -0.206 4.144 4.350 0.000 0.000 0.200 339 E C 1.270 177.870 176.600 -0.000 0.000 1.010 339 E CA 1.176 57.576 56.400 -0.000 0.000 0.841 339 E CB -0.023 29.677 29.700 -0.001 0.000 0.757 339 E HN 0.502 nan 8.360 nan 0.000 0.508 340 A N 0.795 123.615 122.820 -0.000 0.000 2.063 340 A HA 0.389 4.709 4.320 0.000 0.000 0.211 340 A C 2.296 179.880 177.584 -0.001 0.000 1.177 340 A CA 0.765 52.802 52.037 -0.001 0.000 0.759 340 A CB 0.059 19.059 19.000 -0.000 0.000 0.857 340 A HN 0.240 nan 8.150 nan 0.000 0.468 341 A N 0.291 123.111 122.820 -0.000 0.000 1.898 341 A HA 0.079 4.399 4.320 0.000 0.000 0.214 341 A C 2.013 179.596 177.584 -0.002 0.000 1.183 341 A CA 1.203 53.239 52.037 -0.001 0.000 0.622 341 A CB -0.494 18.507 19.000 0.001 0.000 0.824 341 A HN 0.428 nan 8.150 nan 0.000 0.444 342 I N -0.681 119.889 120.570 -0.001 0.000 2.142 342 I HA -0.271 3.899 4.170 0.000 0.000 0.240 342 I C 2.724 178.839 176.117 -0.004 0.000 1.078 342 I CA 1.783 63.082 61.300 -0.002 0.000 1.343 342 I CB -0.343 37.657 38.000 -0.000 0.000 1.046 342 I HN 0.357 nan 8.210 nan 0.000 0.405 343 Q N 1.491 121.289 119.800 -0.003 0.000 2.197 343 Q HA -0.165 4.175 4.340 0.000 0.000 0.207 343 Q C 1.979 177.976 176.000 -0.005 0.000 0.984 343 Q CA 2.068 57.868 55.803 -0.004 0.000 0.869 343 Q CB -0.733 28.003 28.738 -0.003 0.000 0.906 343 Q HN 0.509 nan 8.270 nan 0.000 0.426 344 G N -0.535 108.262 108.800 -0.005 0.000 2.484 344 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 344 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 344 G C 1.547 176.443 174.900 -0.008 0.000 1.130 344 G CA 0.622 45.718 45.100 -0.006 0.000 0.784 344 G HN 0.329 nan 8.290 nan 0.000 0.543 345 R N 0.388 120.883 120.500 -0.008 0.000 2.073 345 R HA 0.058 4.398 4.340 0.000 0.000 0.229 345 R C 2.440 178.732 176.300 -0.013 0.000 1.120 345 R CA 1.127 57.221 56.100 -0.011 0.000 0.967 345 R CB -0.860 29.433 30.300 -0.012 0.000 0.862 345 R HN 0.130 nan 8.270 nan 0.000 0.436 346 V N 1.363 121.270 119.914 -0.011 0.000 2.688 346 V HA -0.225 3.895 4.120 0.000 0.000 0.256 346 V C 2.268 178.355 176.094 -0.012 0.000 1.084 346 V CA 1.701 63.994 62.300 -0.012 0.000 1.103 346 V CB -0.995 30.823 31.823 -0.009 0.000 0.688 346 V HN 0.525 nan 8.190 nan 0.000 0.480 347 A N -0.488 122.326 122.820 -0.011 0.000 1.835 347 A HA -0.271 4.049 4.320 0.000 0.000 0.215 347 A C 2.194 179.770 177.584 -0.012 0.000 1.199 347 A CA 1.865 53.895 52.037 -0.010 0.000 0.615 347 A CB -0.552 18.443 19.000 -0.009 0.000 0.838 347 A HN 0.549 nan 8.150 nan 0.000 0.444 348 Q N -0.515 119.277 119.800 -0.013 0.000 2.077 348 Q HA -0.197 4.143 4.340 0.000 0.000 0.206 348 Q C 2.093 178.082 176.000 -0.019 0.000 0.989 348 Q CA 1.840 57.634 55.803 -0.016 0.000 0.853 348 Q CB -0.445 28.283 28.738 -0.017 0.000 0.907 348 Q HN 0.755 nan 8.270 nan 0.000 0.418 349 I N 0.114 120.671 120.570 -0.021 0.000 2.361 349 I HA -0.263 3.907 4.170 0.000 0.000 0.251 349 I C 2.186 178.289 176.117 -0.023 0.000 1.133 349 I CA 1.121 62.406 61.300 -0.025 0.000 1.413 349 I CB -0.236 37.748 38.000 -0.026 0.000 1.073 349 I HN 0.136 nan 8.210 nan 0.000 0.424 350 R N -0.015 120.474 120.500 -0.019 0.000 2.236 350 R HA -0.052 4.288 4.340 0.000 0.000 0.208 350 R C 2.217 178.508 176.300 -0.015 0.000 1.036 350 R CA 0.457 56.547 56.100 -0.017 0.000 1.001 350 R CB 0.072 30.363 30.300 -0.013 0.000 0.896 350 R HN 0.390 nan 8.270 nan 0.000 0.464 351 Q N 0.516 120.307 119.800 -0.015 0.000 2.061 351 Q HA -0.080 4.260 4.340 0.000 0.000 0.195 351 Q C 1.840 177.831 176.000 -0.016 0.000 0.967 351 Q CA 1.250 57.045 55.803 -0.014 0.000 0.829 351 Q CB 0.066 28.796 28.738 -0.013 0.000 0.900 351 Q HN 0.395 nan 8.270 nan 0.000 0.450 352 Q N 0.233 120.022 119.800 -0.019 0.000 2.368 352 Q HA -0.095 4.245 4.340 0.000 0.000 0.210 352 Q C 1.965 177.951 176.000 -0.023 0.000 0.982 352 Q CA 0.702 56.492 55.803 -0.022 0.000 0.884 352 Q CB -0.075 28.646 28.738 -0.028 0.000 0.933 352 Q HN 0.378 nan 8.270 nan 0.000 0.460 353 I N 0.330 120.887 120.570 -0.022 0.000 2.333 353 I HA -0.203 3.967 4.170 0.000 0.000 0.246 353 I C 2.067 178.175 176.117 -0.016 0.000 1.106 353 I CA 0.740 62.026 61.300 -0.022 0.000 1.411 353 I CB -0.112 37.875 38.000 -0.022 0.000 1.082 353 I HN 0.175 nan 8.210 nan 0.000 0.420 354 E N 1.279 121.471 120.200 -0.013 0.000 2.047 354 E HA -0.178 4.172 4.350 0.000 0.000 0.191 354 E C 1.226 177.822 176.600 -0.008 0.000 0.987 354 E CA 1.026 57.421 56.400 -0.009 0.000 0.799 354 E CB -0.381 29.315 29.700 -0.008 0.000 0.752 354 E HN 0.567 nan 8.360 nan 0.000 0.449 355 E N 0.987 121.181 120.200 -0.009 0.000 2.441 355 E HA 0.196 4.546 4.350 0.000 0.000 0.210 355 E C -0.324 176.271 176.600 -0.008 0.000 1.306 355 E CA -0.227 56.169 56.400 -0.008 0.000 1.307 355 E CB -0.040 29.655 29.700 -0.009 0.000 1.297 355 E HN 0.054 nan 8.360 nan 0.000 0.440 356 A N 1.547 124.362 122.820 -0.007 0.000 2.341 356 A HA 0.172 4.492 4.320 0.000 0.000 0.326 356 A C 0.839 178.425 177.584 0.003 0.000 1.402 356 A CA -0.774 51.260 52.037 -0.006 0.000 0.957 356 A CB 0.058 19.051 19.000 -0.011 0.000 1.151 356 A HN 0.201 nan 8.150 nan 0.000 0.533 357 T N -0.593 113.965 114.554 0.007 0.000 3.535 357 T HA 0.437 4.787 4.350 0.000 0.000 0.238 357 T C 0.335 175.047 174.700 0.020 0.000 0.909 357 T CA 0.360 62.467 62.100 0.011 0.000 0.928 357 T CB -0.757 68.117 68.868 0.010 0.000 1.134 357 T HN 0.819 nan 8.240 nan 0.000 0.627 358 S N -1.020 114.695 115.700 0.024 0.000 2.655 358 S HA 0.302 4.772 4.470 0.000 0.000 0.266 358 S C -0.597 174.029 174.600 0.042 0.000 1.149 358 S CA -0.472 57.753 58.200 0.042 0.000 0.818 358 S CB 1.417 64.657 63.200 0.066 0.000 1.130 358 S HN 0.271 nan 8.310 nan 0.000 0.476 359 D N -0.461 119.980 120.400 0.068 0.000 2.725 359 D HA 0.002 4.642 4.640 0.000 0.000 0.269 359 D C 1.575 177.925 176.300 0.083 0.000 1.018 359 D CA 0.522 54.559 54.000 0.062 0.000 0.956 359 D CB -0.238 40.600 40.800 0.064 0.000 1.141 359 D HN 0.526 nan 8.370 nan 0.000 0.478 360 Y N 2.396 122.697 120.300 0.002 0.000 2.081 360 Y HA -0.236 4.314 4.550 0.000 0.000 0.280 360 Y C 1.475 177.374 175.900 -0.002 0.000 1.163 360 Y CA 2.554 60.656 58.100 0.004 0.000 1.135 360 Y CB -0.627 37.836 38.460 0.006 0.000 0.970 360 Y HN -0.081 nan 8.280 nan 0.000 0.498 361 D N -0.456 119.938 120.400 -0.010 0.000 2.315 361 D HA -0.177 4.463 4.640 0.000 0.000 0.211 361 D C 2.144 178.363 176.300 -0.135 0.000 0.977 361 D CA 1.344 55.280 54.000 -0.107 0.000 0.894 361 D CB -0.178 40.626 40.800 0.006 0.000 0.910 361 D HN 0.401 nan 8.370 nan 0.000 0.490 362 R N 0.351 120.792 120.500 -0.097 0.000 2.055 362 R HA 0.012 4.352 4.340 0.000 0.000 0.221 362 R C 1.871 178.109 176.300 -0.104 0.000 1.154 362 R CA 0.582 56.637 56.100 -0.076 0.000 0.975 362 R CB 0.103 30.383 30.300 -0.034 0.000 0.869 362 R HN 0.067 nan 8.270 nan 0.000 0.437 363 E N 0.547 120.683 120.200 -0.106 0.000 2.136 363 E HA -0.252 4.098 4.350 0.000 0.000 0.202 363 E C 1.912 178.428 176.600 -0.140 0.000 1.019 363 E CA 1.376 57.717 56.400 -0.099 0.000 0.819 363 E CB 0.060 29.715 29.700 -0.074 0.000 0.739 363 E HN 0.146 nan 8.360 nan 0.000 0.458 364 K N 0.456 120.707 120.400 -0.249 0.000 2.097 364 K HA -0.106 4.214 4.320 0.000 0.000 0.206 364 K C 2.127 178.641 176.600 -0.144 0.000 1.049 364 K CA 0.814 56.960 56.287 -0.236 0.000 0.933 364 K CB -0.297 31.978 32.500 -0.375 0.000 0.717 364 K HN 0.256 nan 8.250 nan 0.000 0.442 365 L N 0.840 121.986 121.223 -0.128 0.000 2.376 365 L HA -0.124 4.216 4.340 0.000 0.000 0.219 365 L C 2.363 179.196 176.870 -0.061 0.000 1.133 365 L CA 0.798 55.587 54.840 -0.085 0.000 0.816 365 L CB -0.217 41.799 42.059 -0.072 0.000 0.933 365 L HN 0.252 nan 8.230 nan 0.000 0.449 366 Q N -0.223 119.541 119.800 -0.060 0.000 2.123 366 Q HA -0.147 4.193 4.340 0.000 0.000 0.196 366 Q C 1.894 177.875 176.000 -0.033 0.000 0.958 366 Q CA 0.860 56.639 55.803 -0.039 0.000 0.841 366 Q CB 0.103 28.821 28.738 -0.034 0.000 0.915 366 Q HN 0.510 nan 8.270 nan 0.000 0.455 367 E N 0.700 120.876 120.200 -0.039 0.000 2.118 367 E HA -0.192 4.158 4.350 0.000 0.000 0.195 367 E C 2.065 178.653 176.600 -0.019 0.000 0.992 367 E CA 0.798 57.183 56.400 -0.024 0.000 0.804 367 E CB 0.043 29.727 29.700 -0.027 0.000 0.741 367 E HN 0.205 nan 8.360 nan 0.000 0.458 368 R N 0.251 120.732 120.500 -0.032 0.000 2.075 368 R HA -0.121 4.219 4.340 0.000 0.000 0.232 368 R C 2.649 178.937 176.300 -0.019 0.000 1.126 368 R CA 1.586 57.670 56.100 -0.027 0.000 0.963 368 R CB -0.404 29.871 30.300 -0.041 0.000 0.858 368 R HN 0.217 nan 8.270 nan 0.000 0.435 369 V N -1.967 117.934 119.914 -0.021 0.000 2.548 369 V HA -0.022 4.098 4.120 0.000 0.000 0.249 369 V C 2.330 178.419 176.094 -0.008 0.000 1.055 369 V CA 1.534 63.825 62.300 -0.015 0.000 1.065 369 V CB -0.939 30.874 31.823 -0.016 0.000 0.681 369 V HN 0.200 nan 8.190 nan 0.000 0.462 370 A N 0.980 123.795 122.820 -0.008 0.000 1.908 370 A HA -0.217 4.103 4.320 0.000 0.000 0.218 370 A C 2.344 179.930 177.584 0.003 0.000 1.181 370 A CA 2.443 54.478 52.037 -0.003 0.000 0.627 370 A CB -0.546 18.453 19.000 -0.002 0.000 0.818 370 A HN 0.640 nan 8.150 nan 0.000 0.445 371 K N -1.177 119.228 120.400 0.008 0.000 1.991 371 K HA -0.013 4.307 4.320 0.000 0.000 0.207 371 K C 1.769 178.379 176.600 0.016 0.000 1.045 371 K CA 1.189 57.488 56.287 0.020 0.000 0.937 371 K CB -0.430 32.090 32.500 0.034 0.000 0.720 371 K HN 0.323 nan 8.250 nan 0.000 0.438 372 L N 0.529 121.757 121.223 0.009 0.000 2.450 372 L HA -0.102 4.238 4.340 0.000 0.000 0.224 372 L C 1.607 178.479 176.870 0.003 0.000 1.149 372 L CA 1.285 56.129 54.840 0.006 0.000 0.816 372 L CB -0.281 41.776 42.059 -0.002 0.000 0.932 372 L HN 0.179 nan 8.230 nan 0.000 0.449 373 A N -2.300 120.521 122.820 0.002 0.000 2.074 373 A HA 0.376 4.696 4.320 0.000 0.000 0.200 373 A C 2.098 179.683 177.584 0.000 0.000 1.335 373 A CA 0.399 52.436 52.037 -0.000 0.000 0.922 373 A CB -0.644 18.354 19.000 -0.003 0.000 0.972 373 A HN 0.321 nan 8.150 nan 0.000 0.475 374 G N -0.067 108.733 108.800 0.002 0.000 2.509 374 G HA2 0.366 4.326 3.960 0.000 0.000 0.218 374 G HA3 0.366 4.326 3.960 0.000 0.000 0.218 374 G C 1.183 176.083 174.900 0.001 0.000 1.124 374 G CA 0.797 45.897 45.100 0.001 0.000 0.776 374 G HN 1.592 nan 8.290 nan 0.000 0.547 375 G N -1.398 107.405 108.800 0.004 0.000 2.682 375 G HA2 -0.074 3.886 3.960 0.000 0.000 0.256 375 G HA3 -0.074 3.886 3.960 0.000 0.000 0.256 375 G C -0.442 174.458 174.900 0.000 0.000 1.333 375 G CA -0.059 45.042 45.100 0.003 0.000 0.904 375 G HN 1.025 nan 8.290 nan 0.000 0.569 376 V N 0.065 119.977 119.914 -0.003 0.000 2.709 376 V HA 0.759 4.879 4.120 0.000 0.000 0.308 376 V C 0.779 176.865 176.094 -0.012 0.000 1.062 376 V CA -0.172 62.123 62.300 -0.009 0.000 0.901 376 V CB 1.458 33.275 31.823 -0.010 0.000 1.003 376 V HN 2.057 nan 8.190 nan 0.000 0.425 377 A N 3.343 126.153 122.820 -0.016 0.000 2.354 377 A HA 0.749 5.069 4.320 0.000 0.000 0.269 377 A C -0.450 177.122 177.584 -0.019 0.000 1.109 377 A CA -0.323 51.704 52.037 -0.017 0.000 0.800 377 A CB 0.882 19.870 19.000 -0.020 0.000 1.045 377 A HN 0.923 nan 8.150 nan 0.000 0.489 378 V N 4.645 124.549 119.914 -0.017 0.000 2.443 378 V HA 0.193 4.313 4.120 0.000 0.000 0.272 378 V C -0.316 175.769 176.094 -0.015 0.000 1.002 378 V CA -0.081 62.209 62.300 -0.017 0.000 0.840 378 V CB 0.498 32.312 31.823 -0.015 0.000 1.042 378 V HN 0.756 nan 8.190 nan 0.000 0.446 379 I N 3.744 124.304 120.570 -0.017 0.000 2.556 379 I HA 0.244 4.414 4.170 0.000 0.000 0.284 379 I C 0.476 176.586 176.117 -0.011 0.000 1.114 379 I CA 0.175 61.466 61.300 -0.014 0.000 1.418 379 I CB 0.592 38.583 38.000 -0.015 0.000 1.394 379 I HN 0.441 nan 8.210 nan 0.000 0.552 380 K N 6.078 126.472 120.400 -0.009 0.000 2.473 380 K HA 0.379 4.699 4.320 0.000 0.000 0.246 380 K C -0.958 175.638 176.600 -0.006 0.000 1.011 380 K CA -0.661 55.621 56.287 -0.007 0.000 0.984 380 K CB 1.674 34.170 32.500 -0.007 0.000 1.250 380 K HN 0.333 nan 8.250 nan 0.000 0.454 381 V N 2.379 122.290 119.914 -0.005 0.000 2.557 381 V HA 0.066 4.186 4.120 0.000 0.000 0.301 381 V C 0.960 177.052 176.094 -0.003 0.000 1.026 381 V CA 0.034 62.332 62.300 -0.004 0.000 1.137 381 V CB 0.567 32.389 31.823 -0.002 0.000 0.917 381 V HN 0.860 nan 8.190 nan 0.000 0.484 382 G N 2.893 111.692 108.800 -0.003 0.000 2.432 382 G HA2 0.843 4.803 3.960 0.000 0.000 0.331 382 G HA3 0.843 4.803 3.960 0.000 0.000 0.331 382 G C -0.527 174.372 174.900 -0.002 0.000 1.170 382 G CA 0.052 45.150 45.100 -0.003 0.000 0.943 382 G HN 1.179 nan 8.290 nan 0.000 0.483 383 A N -0.315 122.504 122.820 -0.002 0.000 2.534 383 A HA 0.842 5.162 4.320 0.000 0.000 0.300 383 A C 0.855 178.438 177.584 -0.001 0.000 1.223 383 A CA 0.428 52.464 52.037 -0.001 0.000 0.666 383 A CB 0.512 19.511 19.000 -0.001 0.000 1.316 383 A HN 1.741 nan 8.150 nan 0.000 0.468 384 A N -0.892 121.928 122.820 -0.001 0.000 1.943 384 A HA 0.460 4.780 4.320 0.000 0.000 0.213 384 A C 1.233 178.817 177.584 -0.001 0.000 1.181 384 A CA 2.181 54.218 52.037 -0.001 0.000 0.653 384 A CB -0.533 18.467 19.000 -0.001 0.000 0.833 384 A HN 1.953 nan 8.150 nan 0.000 0.451 385 T N -4.494 110.059 114.554 -0.001 0.000 2.907 385 T HA 0.458 4.808 4.350 0.000 0.000 0.290 385 T C 0.560 175.260 174.700 -0.000 0.000 1.066 385 T CA 0.078 62.178 62.100 -0.001 0.000 1.012 385 T CB 1.829 70.696 68.868 -0.000 0.000 1.184 385 T HN 0.222 nan 8.240 nan 0.000 0.522 386 E N 0.026 120.226 120.200 -0.000 0.000 2.031 386 E HA -0.142 4.208 4.350 0.000 0.000 0.193 386 E C 1.952 178.552 176.600 0.000 0.000 0.994 386 E CA 1.539 57.939 56.400 -0.000 0.000 0.800 386 E CB -0.249 29.451 29.700 0.000 0.000 0.752 386 E HN 0.519 nan 8.360 nan 0.000 0.447 387 V N 1.611 121.525 119.914 0.000 0.000 2.233 387 V HA -0.297 3.823 4.120 0.000 0.000 0.247 387 V C 2.308 178.403 176.094 0.001 0.000 1.050 387 V CA 2.313 64.614 62.300 0.001 0.000 1.010 387 V CB -0.701 31.122 31.823 0.001 0.000 0.637 387 V HN 0.330 nan 8.190 nan 0.000 0.444 388 E N -0.650 119.550 120.200 0.000 0.000 2.086 388 E HA -0.310 4.040 4.350 0.000 0.000 0.200 388 E C 2.185 178.786 176.600 0.000 0.000 1.012 388 E CA 1.929 58.329 56.400 -0.000 0.000 0.812 388 E CB -0.252 29.448 29.700 -0.000 0.000 0.743 388 E HN 0.451 nan 8.360 nan 0.000 0.453 389 M N 1.126 120.726 119.600 0.000 0.000 2.091 389 M HA -0.176 4.304 4.480 0.000 0.000 0.259 389 M C 1.896 178.197 176.300 0.001 0.000 1.076 389 M CA 1.625 56.925 55.300 0.000 0.000 1.111 389 M CB -0.467 32.133 32.600 -0.000 0.000 1.291 389 M HN -0.148 nan 8.290 nan 0.000 0.417 390 K N 0.469 120.870 120.400 0.001 0.000 2.242 390 K HA -0.219 4.101 4.320 0.000 0.000 0.206 390 K C 1.916 178.518 176.600 0.003 0.000 1.045 390 K CA 1.406 57.694 56.287 0.003 0.000 0.930 390 K CB -0.559 31.943 32.500 0.002 0.000 0.726 390 K HN 0.500 nan 8.250 nan 0.000 0.462 391 E N 1.082 121.284 120.200 0.003 0.000 2.086 391 E HA -0.110 4.240 4.350 0.000 0.000 0.190 391 E C 1.920 178.522 176.600 0.004 0.000 0.975 391 E CA 0.926 57.328 56.400 0.003 0.000 0.813 391 E CB 0.092 29.793 29.700 0.002 0.000 0.768 391 E HN 0.213 nan 8.360 nan 0.000 0.457 392 K N 1.186 121.587 120.400 0.003 0.000 2.026 392 K HA -0.167 4.153 4.320 0.000 0.000 0.208 392 K C 2.274 178.877 176.600 0.004 0.000 1.048 392 K CA 1.683 57.972 56.287 0.003 0.000 0.929 392 K CB -0.179 32.322 32.500 0.001 0.000 0.713 392 K HN -0.081 nan 8.250 nan 0.000 0.439 393 K N 0.029 120.431 120.400 0.004 0.000 2.362 393 K HA -0.145 4.175 4.320 0.000 0.000 0.202 393 K C 1.519 178.125 176.600 0.010 0.000 1.045 393 K CA 1.223 57.513 56.287 0.005 0.000 0.936 393 K CB -0.074 32.428 32.500 0.004 0.000 0.747 393 K HN 0.261 nan 8.250 nan 0.000 0.467 394 A N 0.638 123.465 122.820 0.010 0.000 2.081 394 A HA 0.036 4.356 4.320 0.000 0.000 0.214 394 A C 1.910 179.504 177.584 0.018 0.000 1.158 394 A CA 0.409 52.455 52.037 0.014 0.000 0.724 394 A CB -0.060 18.946 19.000 0.010 0.000 0.826 394 A HN 0.269 nan 8.150 nan 0.000 0.463 395 R N -0.897 119.610 120.500 0.013 0.000 2.075 395 R HA 0.039 4.379 4.340 0.000 0.000 0.220 395 R C 1.910 178.220 176.300 0.017 0.000 1.118 395 R CA 1.105 57.213 56.100 0.014 0.000 0.986 395 R CB -0.286 30.019 30.300 0.008 0.000 0.884 395 R HN 0.311 nan 8.270 nan 0.000 0.439 396 V N 1.356 121.277 119.914 0.011 0.000 2.469 396 V HA -0.244 3.876 4.120 0.000 0.000 0.251 396 V C 2.089 178.189 176.094 0.011 0.000 1.064 396 V CA 1.824 64.128 62.300 0.007 0.000 1.066 396 V CB -0.385 31.438 31.823 0.001 0.000 0.667 396 V HN 0.372 nan 8.190 nan 0.000 0.461 397 E N -0.623 119.590 120.200 0.023 0.000 2.112 397 E HA -0.179 4.171 4.350 0.000 0.000 0.190 397 E C 1.742 178.398 176.600 0.094 0.000 0.979 397 E CA 0.845 57.269 56.400 0.041 0.000 0.814 397 E CB 0.052 29.780 29.700 0.046 0.000 0.762 397 E HN 0.558 nan 8.360 nan 0.000 0.460 398 D N -0.795 119.652 120.400 0.078 0.000 2.348 398 D HA 0.028 4.668 4.640 0.000 0.000 0.211 398 D C 1.263 177.615 176.300 0.088 0.000 0.998 398 D CA 0.418 54.475 54.000 0.095 0.000 0.873 398 D CB 0.576 41.405 40.800 0.047 0.000 0.925 398 D HN 0.165 nan 8.370 nan 0.000 0.524 399 A N 0.399 123.252 122.820 0.056 0.000 2.044 399 A HA 0.017 4.337 4.320 0.000 0.000 0.213 399 A C 1.942 179.545 177.584 0.031 0.000 1.169 399 A CA 0.056 52.117 52.037 0.039 0.000 0.724 399 A CB -0.164 18.848 19.000 0.019 0.000 0.840 399 A HN 0.169 nan 8.150 nan 0.000 0.463 400 L N -0.825 120.404 121.223 0.010 0.000 2.265 400 L HA -0.123 4.217 4.340 0.000 0.000 0.215 400 L C 2.104 178.928 176.870 -0.076 0.000 1.117 400 L CA 1.753 56.565 54.840 -0.048 0.000 0.782 400 L CB -0.551 41.454 42.059 -0.090 0.000 0.914 400 L HN 0.481 nan 8.230 nan 0.000 0.441 401 H N -1.241 117.827 119.070 -0.002 0.000 2.415 401 H HA 0.187 4.743 4.556 0.000 0.000 0.297 401 H C 2.100 177.428 175.328 0.001 0.000 1.048 401 H CA 1.059 57.106 56.048 -0.001 0.000 1.365 401 H CB 0.133 29.894 29.762 -0.002 0.000 1.421 401 H HN 0.442 nan 8.280 nan 0.000 0.533 402 A N 0.082 122.980 122.820 0.131 0.000 1.969 402 A HA -0.120 4.200 4.320 0.000 0.000 0.218 402 A C 2.552 180.165 177.584 0.049 0.000 1.169 402 A CA 1.757 53.839 52.037 0.074 0.000 0.635 402 A CB -0.682 18.347 19.000 0.049 0.000 0.810 402 A HN 0.319 nan 8.150 nan 0.000 0.445 403 T N -0.546 114.028 114.554 0.034 0.000 2.643 403 T HA -0.121 4.229 4.350 0.000 0.000 0.264 403 T C 2.148 176.856 174.700 0.014 0.000 1.045 403 T CA 1.251 63.360 62.100 0.015 0.000 1.155 403 T CB -0.251 68.616 68.868 -0.000 0.000 0.863 403 T HN 0.319 nan 8.240 nan 0.000 0.420 404 R N 1.154 121.658 120.500 0.007 0.000 2.153 404 R HA -0.095 4.245 4.340 0.000 0.000 0.252 404 R C 2.501 178.818 176.300 0.028 0.000 1.158 404 R CA 1.592 57.697 56.100 0.008 0.000 0.975 404 R CB -1.102 29.197 30.300 -0.002 0.000 0.871 404 R HN 0.461 nan 8.270 nan 0.000 0.450 405 A N 0.055 122.901 122.820 0.045 0.000 2.015 405 A HA 0.020 4.340 4.320 0.000 0.000 0.219 405 A C 2.235 179.837 177.584 0.030 0.000 1.163 405 A CA 1.603 53.666 52.037 0.044 0.000 0.646 405 A CB -0.245 18.787 19.000 0.054 0.000 0.806 405 A HN 0.377 nan 8.150 nan 0.000 0.448 406 A N -0.988 121.846 122.820 0.024 0.000 1.871 406 A HA 0.184 4.504 4.320 0.000 0.000 0.211 406 A C 2.095 179.688 177.584 0.015 0.000 1.207 406 A CA 1.093 53.141 52.037 0.018 0.000 0.620 406 A CB -0.903 18.107 19.000 0.016 0.000 0.860 406 A HN 0.296 nan 8.150 nan 0.000 0.450 407 V N 0.695 120.617 119.914 0.012 0.000 2.370 407 V HA -0.344 3.776 4.120 0.000 0.000 0.252 407 V C 2.483 178.584 176.094 0.011 0.000 1.068 407 V CA 2.621 64.926 62.300 0.009 0.000 1.061 407 V CB -0.689 31.137 31.823 0.005 0.000 0.656 407 V HN 0.646 nan 8.190 nan 0.000 0.455 408 E N -0.688 119.520 120.200 0.014 0.000 2.016 408 E HA -0.158 4.192 4.350 0.000 0.000 0.190 408 E C 1.714 178.323 176.600 0.015 0.000 0.985 408 E CA 1.406 57.815 56.400 0.015 0.000 0.802 408 E CB -0.024 29.689 29.700 0.020 0.000 0.762 408 E HN 0.663 nan 8.360 nan 0.000 0.448 409 E N -0.645 119.564 120.200 0.016 0.000 2.630 409 E HA 0.238 4.588 4.350 0.000 0.000 0.218 409 E C 0.136 176.744 176.600 0.014 0.000 0.977 409 E CA 0.089 56.497 56.400 0.014 0.000 1.038 409 E CB 1.637 31.346 29.700 0.014 0.000 1.051 409 E HN 0.255 nan 8.360 nan 0.000 0.487 410 G N 1.158 109.966 108.800 0.014 0.000 2.698 410 G HA2 -0.188 3.772 3.960 0.000 0.000 0.225 410 G HA3 -0.188 3.772 3.960 0.000 0.000 0.225 410 G C -0.450 174.459 174.900 0.015 0.000 1.345 410 G CA -0.477 44.631 45.100 0.013 0.000 0.871 410 G HN 0.528 nan 8.290 nan 0.000 0.540 411 V N -2.199 117.724 119.914 0.014 0.000 3.040 411 V HA 0.992 5.112 4.120 0.000 0.000 0.312 411 V C 0.500 176.603 176.094 0.015 0.000 1.115 411 V CA 0.435 62.743 62.300 0.014 0.000 0.998 411 V CB 1.455 33.286 31.823 0.013 0.000 1.042 411 V HN 2.553 nan 8.190 nan 0.000 0.433 412 V N 0.261 120.184 119.914 0.015 0.000 3.119 412 V HA 1.026 5.146 4.120 0.000 0.000 0.311 412 V C 0.458 176.560 176.094 0.014 0.000 1.259 412 V CA -0.651 61.659 62.300 0.017 0.000 1.067 412 V CB 1.281 33.115 31.823 0.018 0.000 1.123 412 V HN 2.204 nan 8.190 nan 0.000 0.463 413 A N 0.496 123.326 122.820 0.016 0.000 2.488 413 A HA 0.675 4.995 4.320 0.000 0.000 0.249 413 A C 0.824 178.410 177.584 0.004 0.000 1.083 413 A CA 0.557 52.599 52.037 0.010 0.000 0.768 413 A CB -0.485 18.524 19.000 0.015 0.000 1.017 413 A HN 1.943 nan 8.150 nan 0.000 0.496 414 G N 0.829 109.626 108.800 -0.005 0.000 2.504 414 G HA2 0.492 4.452 3.960 0.000 0.000 0.257 414 G HA3 0.492 4.452 3.960 0.000 0.000 0.257 414 G C 1.155 176.048 174.900 -0.011 0.000 1.451 414 G CA -0.003 45.093 45.100 -0.007 0.000 1.059 414 G HN 2.217 nan 8.290 nan 0.000 0.550 415 G N -1.832 106.961 108.800 -0.013 0.000 2.296 415 G HA2 0.182 4.142 3.960 0.000 0.000 0.282 415 G HA3 0.182 4.142 3.960 0.000 0.000 0.282 415 G C 1.566 176.468 174.900 0.004 0.000 1.014 415 G CA 1.309 46.404 45.100 -0.009 0.000 0.812 415 G HN 2.434 nan 8.290 nan 0.000 0.508 416 G N -2.327 106.476 108.800 0.005 0.000 2.196 416 G HA2 -0.172 3.788 3.960 0.000 0.000 0.268 416 G HA3 -0.172 3.788 3.960 0.000 0.000 0.268 416 G C 1.980 176.888 174.900 0.012 0.000 0.975 416 G CA 2.147 47.252 45.100 0.009 0.000 0.648 416 G HN 2.225 nan 8.290 nan 0.000 0.538 417 V N -1.905 118.015 119.914 0.011 0.000 2.427 417 V HA 0.259 4.379 4.120 0.000 0.000 0.248 417 V C 2.897 179.005 176.094 0.024 0.000 1.051 417 V CA 2.099 64.409 62.300 0.017 0.000 1.048 417 V CB -1.109 30.719 31.823 0.007 0.000 0.666 417 V HN 1.468 nan 8.190 nan 0.000 0.456 418 A N 1.098 123.930 122.820 0.021 0.000 1.884 418 A HA -0.181 4.139 4.320 0.000 0.000 0.219 418 A C 2.268 179.866 177.584 0.024 0.000 1.197 418 A CA 2.587 54.638 52.037 0.024 0.000 0.637 418 A CB -0.887 18.125 19.000 0.019 0.000 0.827 418 A HN 0.618 nan 8.150 nan 0.000 0.450 419 L N -1.087 120.147 121.223 0.020 0.000 2.083 419 L HA -0.103 4.237 4.340 0.000 0.000 0.209 419 L C 2.468 179.350 176.870 0.020 0.000 1.083 419 L CA 1.273 56.124 54.840 0.018 0.000 0.752 419 L CB -0.309 41.759 42.059 0.016 0.000 0.899 419 L HN 0.491 nan 8.230 nan 0.000 0.433 420 I N -0.583 120.001 120.570 0.023 0.000 2.928 420 I HA -0.224 3.946 4.170 0.000 0.000 0.266 420 I C 2.642 178.780 176.117 0.035 0.000 1.234 420 I CA 0.493 61.809 61.300 0.026 0.000 1.483 420 I CB 0.059 38.074 38.000 0.026 0.000 1.097 420 I HN 0.196 nan 8.210 nan 0.000 0.455 421 R N 0.883 121.407 120.500 0.039 0.000 2.052 421 R HA -0.106 4.234 4.340 0.000 0.000 0.226 421 R C 2.102 178.423 176.300 0.035 0.000 1.145 421 R CA 2.443 58.571 56.100 0.047 0.000 0.952 421 R CB -1.070 29.262 30.300 0.053 0.000 0.847 421 R HN 0.299 nan 8.270 nan 0.000 0.431 422 V N -0.530 119.401 119.914 0.028 0.000 2.688 422 V HA -0.084 4.036 4.120 0.000 0.000 0.256 422 V C 2.221 178.326 176.094 0.019 0.000 1.084 422 V CA 1.671 63.984 62.300 0.022 0.000 1.103 422 V CB -1.470 30.363 31.823 0.017 0.000 0.688 422 V HN 0.383 nan 8.190 nan 0.000 0.480 423 A N 1.850 124.682 122.820 0.020 0.000 1.873 423 A HA -0.137 4.184 4.320 0.000 0.000 0.215 423 A C 2.591 180.186 177.584 0.018 0.000 1.186 423 A CA 2.338 54.385 52.037 0.017 0.000 0.616 423 A CB -0.969 18.041 19.000 0.017 0.000 0.823 423 A HN 0.847 nan 8.150 nan 0.000 0.442 424 S N -0.380 115.334 115.700 0.023 0.000 2.406 424 S HA -0.065 4.405 4.470 0.000 0.000 0.228 424 S C 1.574 176.186 174.600 0.020 0.000 1.020 424 S CA 1.283 59.497 58.200 0.024 0.000 0.965 424 S CB -0.334 62.885 63.200 0.032 0.000 0.798 424 S HN 0.511 nan 8.310 nan 0.000 0.488 425 K N 0.601 121.014 120.400 0.021 0.000 2.611 425 K HA 0.261 4.582 4.320 0.000 0.000 0.193 425 K C 0.153 176.761 176.600 0.013 0.000 1.026 425 K CA 0.295 56.592 56.287 0.018 0.000 1.063 425 K CB -0.194 32.318 32.500 0.019 0.000 0.839 425 K HN 0.456 nan 8.250 nan 0.000 0.505 426 L N -1.264 119.966 121.223 0.012 0.000 3.439 426 L HA 0.218 4.558 4.340 0.000 0.000 0.313 426 L C 1.216 178.091 176.870 0.008 0.000 1.292 426 L CA -0.180 54.666 54.840 0.009 0.000 1.020 426 L CB 0.792 42.855 42.059 0.008 0.000 1.424 426 L HN -0.037 nan 8.230 nan 0.000 0.612 427 A N -0.288 122.537 122.820 0.009 0.000 2.070 427 A HA -0.154 4.166 4.320 0.000 0.000 0.220 427 A C 1.365 178.953 177.584 0.005 0.000 1.159 427 A CA 1.618 53.659 52.037 0.007 0.000 0.656 427 A CB -0.168 18.837 19.000 0.008 0.000 0.800 427 A HN 0.379 nan 8.150 nan 0.000 0.453 428 D N -1.001 119.402 120.400 0.005 0.000 2.342 428 D HA 0.200 4.840 4.640 0.000 0.000 0.221 428 D C 0.079 176.381 176.300 0.003 0.000 1.101 428 D CA -0.279 53.723 54.000 0.004 0.000 0.837 428 D CB -0.037 40.765 40.800 0.003 0.000 0.938 428 D HN 0.316 nan 8.370 nan 0.000 0.508 429 L N 1.579 122.804 121.223 0.004 0.000 2.456 429 L HA 0.144 4.484 4.340 0.000 0.000 0.272 429 L C 0.193 177.064 176.870 0.002 0.000 1.189 429 L CA 0.620 55.461 54.840 0.003 0.000 0.846 429 L CB 0.215 42.276 42.059 0.003 0.000 1.111 429 L HN -0.190 nan 8.230 nan 0.000 0.475 430 R N 2.617 123.118 120.500 0.002 0.000 2.764 430 R HA 0.731 5.071 4.340 0.000 0.000 0.270 430 R C -0.545 175.755 176.300 0.001 0.000 1.014 430 R CA -0.441 55.660 56.100 0.002 0.000 0.904 430 R CB 1.489 31.790 30.300 0.001 0.000 1.236 430 R HN 0.796 nan 8.270 nan 0.000 0.466 431 G N -0.429 108.372 108.800 0.001 0.000 3.140 431 G HA2 0.297 4.257 3.960 0.000 0.000 0.271 431 G HA3 0.297 4.257 3.960 0.000 0.000 0.271 431 G C 0.132 175.032 174.900 0.001 0.000 1.370 431 G CA -0.345 44.755 45.100 0.001 0.000 1.014 431 G HN 0.392 nan 8.290 nan 0.000 0.541 432 Q N -0.502 119.299 119.800 0.001 0.000 1.985 432 Q HA -0.138 4.202 4.340 0.000 0.000 0.207 432 Q C 0.839 176.839 176.000 0.001 0.000 0.996 432 Q CA 2.034 57.837 55.803 0.001 0.000 0.851 432 Q CB -0.211 28.527 28.738 0.001 0.000 0.921 432 Q HN 0.682 nan 8.270 nan 0.000 0.418 433 N N -0.907 117.793 118.700 0.001 0.000 2.671 433 N HA 0.069 4.809 4.740 0.000 0.000 0.303 433 N C 0.220 175.731 175.510 0.001 0.000 1.277 433 N CA -0.420 52.631 53.050 0.001 0.000 0.933 433 N CB 0.375 38.862 38.487 0.001 0.000 1.190 433 N HN -0.179 nan 8.380 nan 0.000 0.600 434 E N -0.610 119.590 120.200 0.001 0.000 2.106 434 E HA -0.116 4.234 4.350 0.000 0.000 0.192 434 E C 0.550 177.151 176.600 0.002 0.000 0.984 434 E CA 1.244 57.645 56.400 0.001 0.000 0.806 434 E CB -0.330 29.371 29.700 0.001 0.000 0.750 434 E HN 0.550 nan 8.360 nan 0.000 0.458 435 D N 0.366 120.767 120.400 0.002 0.000 2.103 435 D HA -0.211 4.429 4.640 0.000 0.000 0.190 435 D C 1.911 178.212 176.300 0.002 0.000 0.997 435 D CA 1.257 55.258 54.000 0.002 0.000 0.833 435 D CB -0.386 40.416 40.800 0.003 0.000 0.961 435 D HN 0.340 nan 8.370 nan 0.000 0.447 436 Q N 0.215 120.016 119.800 0.002 0.000 2.173 436 Q HA -0.181 4.159 4.340 0.000 0.000 0.208 436 Q C 1.900 177.901 176.000 0.002 0.000 0.989 436 Q CA 1.060 56.865 55.803 0.002 0.000 0.872 436 Q CB -0.099 28.640 28.738 0.002 0.000 0.909 436 Q HN 0.283 nan 8.270 nan 0.000 0.420 437 N N -0.259 118.442 118.700 0.002 0.000 2.166 437 N HA -0.114 4.626 4.740 0.000 0.000 0.186 437 N C 1.800 177.311 175.510 0.002 0.000 1.019 437 N CA 0.989 54.040 53.050 0.002 0.000 0.856 437 N CB -0.204 38.284 38.487 0.002 0.000 0.993 437 N HN 0.075 nan 8.380 nan 0.000 0.426 438 V N 0.896 120.811 119.914 0.002 0.000 2.427 438 V HA -0.119 4.001 4.120 0.000 0.000 0.248 438 V C 2.450 178.546 176.094 0.003 0.000 1.051 438 V CA 1.909 64.211 62.300 0.003 0.000 1.048 438 V CB -1.166 30.658 31.823 0.003 0.000 0.666 438 V HN 0.321 nan 8.190 nan 0.000 0.456 439 G N -0.057 108.745 108.800 0.003 0.000 2.442 439 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 439 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 439 G C 1.512 176.414 174.900 0.003 0.000 1.141 439 G CA 1.137 46.239 45.100 0.004 0.000 0.763 439 G HN 0.438 nan 8.290 nan 0.000 0.554 440 I N 0.672 121.244 120.570 0.003 0.000 2.133 440 I HA -0.057 4.113 4.170 0.000 0.000 0.238 440 I C 2.550 178.669 176.117 0.004 0.000 1.074 440 I CA 1.139 62.441 61.300 0.003 0.000 1.342 440 I CB -0.113 37.888 38.000 0.003 0.000 1.053 440 I HN -0.077 nan 8.210 nan 0.000 0.404 441 K N 0.156 120.559 120.400 0.004 0.000 2.281 441 K HA -0.075 4.245 4.320 0.000 0.000 0.203 441 K C 2.163 178.766 176.600 0.004 0.000 1.046 441 K CA 0.939 57.228 56.287 0.004 0.000 0.938 441 K CB -0.681 31.821 32.500 0.004 0.000 0.737 441 K HN 0.227 nan 8.250 nan 0.000 0.458 442 V N 1.024 120.941 119.914 0.004 0.000 2.323 442 V HA -0.166 3.954 4.120 0.000 0.000 0.244 442 V C 2.355 178.452 176.094 0.006 0.000 1.041 442 V CA 1.772 64.075 62.300 0.005 0.000 1.025 442 V CB -0.480 31.346 31.823 0.005 0.000 0.656 442 V HN 0.276 nan 8.190 nan 0.000 0.451 443 A N -0.329 122.494 122.820 0.006 0.000 1.902 443 A HA -0.129 4.191 4.320 0.000 0.000 0.217 443 A C 2.156 179.744 177.584 0.007 0.000 1.181 443 A CA 1.621 53.661 52.037 0.006 0.000 0.623 443 A CB -0.493 18.510 19.000 0.005 0.000 0.818 443 A HN 0.503 nan 8.150 nan 0.000 0.443 444 L N -1.367 119.860 121.223 0.006 0.000 2.093 444 L HA -0.134 4.206 4.340 0.000 0.000 0.208 444 L C 2.778 179.652 176.870 0.008 0.000 1.085 444 L CA 1.526 56.371 54.840 0.007 0.000 0.755 444 L CB -0.511 41.553 42.059 0.007 0.000 0.904 444 L HN 0.401 nan 8.230 nan 0.000 0.435 445 R N 0.200 120.704 120.500 0.007 0.000 2.120 445 R HA -0.136 4.204 4.340 0.000 0.000 0.234 445 R C 2.280 178.583 176.300 0.006 0.000 1.123 445 R CA 1.257 57.360 56.100 0.006 0.000 0.975 445 R CB -0.112 30.191 30.300 0.005 0.000 0.866 445 R HN 0.357 nan 8.270 nan 0.000 0.446 446 A N 0.185 123.009 122.820 0.007 0.000 1.970 446 A HA -0.067 4.253 4.320 0.000 0.000 0.216 446 A C 1.935 179.524 177.584 0.009 0.000 1.170 446 A CA 0.739 52.781 52.037 0.008 0.000 0.645 446 A CB -0.207 18.798 19.000 0.009 0.000 0.816 446 A HN 0.267 nan 8.150 nan 0.000 0.447 447 M N -0.324 119.282 119.600 0.010 0.000 2.706 447 M HA -0.107 4.373 4.480 0.000 0.000 0.251 447 M C 1.351 177.658 176.300 0.011 0.000 1.070 447 M CA 0.930 56.237 55.300 0.011 0.000 1.073 447 M CB -0.186 32.421 32.600 0.012 0.000 1.449 447 M HN 0.482 nan 8.290 nan 0.000 0.531 448 E N -0.063 120.142 120.200 0.008 0.000 2.276 448 E HA 0.045 4.395 4.350 0.000 0.000 0.193 448 E C 2.124 178.726 176.600 0.004 0.000 0.983 448 E CA 0.475 56.878 56.400 0.006 0.000 0.861 448 E CB 0.064 29.766 29.700 0.005 0.000 0.817 448 E HN 0.484 nan 8.360 nan 0.000 0.485 449 A N 2.503 125.326 122.820 0.004 0.000 1.906 449 A HA -0.243 4.077 4.320 0.000 0.000 0.222 449 A C -0.345 177.241 177.584 0.003 0.000 1.282 449 A CA 2.106 54.145 52.037 0.003 0.000 0.675 449 A CB -1.834 17.169 19.000 0.006 0.000 0.838 449 A HN 0.156 nan 8.150 nan 0.000 0.469 450 P HA -0.181 nan 4.420 nan 0.000 0.213 450 P C 1.885 179.188 177.300 0.005 0.000 1.170 450 P CA 1.344 64.447 63.100 0.006 0.000 0.902 450 P CB -0.148 31.557 31.700 0.009 0.000 0.789 451 L N -0.838 120.387 121.223 0.004 0.000 1.994 451 L HA -0.182 4.158 4.340 0.000 0.000 0.208 451 L C 2.499 179.365 176.870 -0.007 0.000 1.071 451 L CA 1.712 56.554 54.840 0.003 0.000 0.745 451 L CB -0.379 41.681 42.059 0.001 0.000 0.892 451 L HN -0.200 nan 8.230 nan 0.000 0.431 452 R N -0.612 119.880 120.500 -0.013 0.000 2.133 452 R HA -0.281 4.059 4.340 0.000 0.000 0.247 452 R C 2.274 178.566 176.300 -0.013 0.000 1.151 452 R CA 1.976 58.063 56.100 -0.020 0.000 0.971 452 R CB -0.325 29.966 30.300 -0.015 0.000 0.866 452 R HN 0.434 nan 8.270 nan 0.000 0.447 453 Q N 0.772 120.569 119.800 -0.005 0.000 2.123 453 Q HA -0.034 4.306 4.340 0.000 0.000 0.199 453 Q C 1.753 177.754 176.000 0.002 0.000 0.966 453 Q CA 1.384 57.186 55.803 -0.002 0.000 0.845 453 Q CB 0.038 28.776 28.738 0.000 0.000 0.907 453 Q HN 0.371 nan 8.270 nan 0.000 0.439 454 I N -0.864 119.710 120.570 0.007 0.000 2.233 454 I HA -0.208 3.962 4.170 0.000 0.000 0.243 454 I C 1.988 178.121 176.117 0.026 0.000 1.093 454 I CA 0.721 62.031 61.300 0.016 0.000 1.380 454 I CB -0.307 37.707 38.000 0.024 0.000 1.067 454 I HN 0.031 nan 8.210 nan 0.000 0.413 455 V N 0.967 120.893 119.914 0.020 0.000 2.469 455 V HA -0.267 3.853 4.120 0.000 0.000 0.251 455 V C 2.378 178.473 176.094 0.001 0.000 1.064 455 V CA 1.573 63.878 62.300 0.009 0.000 1.066 455 V CB -0.439 31.336 31.823 -0.079 0.000 0.667 455 V HN 0.349 nan 8.190 nan 0.000 0.461 456 L N 0.720 121.940 121.223 -0.005 0.000 2.027 456 L HA -0.063 4.277 4.340 0.000 0.000 0.206 456 L C 2.087 178.959 176.870 0.004 0.000 1.074 456 L CA 1.849 56.687 54.840 -0.004 0.000 0.745 456 L CB -1.073 40.983 42.059 -0.006 0.000 0.898 456 L HN 0.299 nan 8.230 nan 0.000 0.433 457 N N -1.047 117.656 118.700 0.006 0.000 2.513 457 N HA -0.151 4.589 4.740 0.000 0.000 0.187 457 N C 1.444 176.960 175.510 0.010 0.000 1.056 457 N CA 1.323 54.377 53.050 0.006 0.000 0.907 457 N CB -0.612 37.877 38.487 0.005 0.000 0.954 457 N HN 0.416 nan 8.380 nan 0.000 0.445 458 C N -0.388 118.923 119.300 0.018 0.000 2.754 458 C HA 0.357 4.817 4.460 0.000 0.000 0.276 458 C C 1.403 176.408 174.990 0.025 0.000 1.264 458 C CA -0.282 58.752 59.018 0.026 0.000 1.700 458 C CB -1.112 26.660 27.740 0.052 0.000 1.885 458 C HN 0.539 nan 8.230 nan 0.000 0.607 459 G N 1.963 110.773 108.800 0.015 0.000 2.314 459 G HA2 -0.173 3.787 3.960 0.000 0.000 0.292 459 G HA3 -0.173 3.787 3.960 0.000 0.000 0.292 459 G C -0.205 174.704 174.900 0.015 0.000 1.059 459 G CA 0.329 45.436 45.100 0.012 0.000 0.982 459 G HN 0.498 nan 8.290 nan 0.000 0.505 460 E N -1.028 119.177 120.200 0.009 0.000 2.447 460 E HA 0.620 4.970 4.350 0.000 0.000 0.251 460 E C 0.040 176.626 176.600 -0.022 0.000 0.910 460 E CA -1.175 55.224 56.400 -0.001 0.000 0.841 460 E CB 0.991 30.688 29.700 -0.006 0.000 1.403 460 E HN 0.064 nan 8.360 nan 0.000 0.400 461 K N 1.673 122.049 120.400 -0.040 0.000 2.296 461 K HA 0.292 4.612 4.320 0.000 0.000 0.257 461 K C -2.144 174.415 176.600 -0.069 0.000 1.088 461 K CA -2.055 54.208 56.287 -0.040 0.000 0.980 461 K CB 0.734 33.218 32.500 -0.027 0.000 1.430 461 K HN 0.050 nan 8.250 nan 0.000 0.441 462 P HA -0.284 nan 4.420 nan 0.000 0.213 462 P C 0.873 178.136 177.300 -0.062 0.000 1.176 462 P CA 1.813 64.871 63.100 -0.069 0.000 0.919 462 P CB 0.107 31.782 31.700 -0.041 0.000 0.791 463 S N -0.964 114.714 115.700 -0.037 0.000 2.389 463 S HA -0.214 4.256 4.470 0.000 0.000 0.231 463 S C 1.996 176.581 174.600 -0.025 0.000 1.052 463 S CA 2.091 60.276 58.200 -0.025 0.000 1.053 463 S CB -1.925 61.265 63.200 -0.016 0.000 0.886 463 S HN -0.043 nan 8.310 nan 0.000 0.456 464 V N 1.767 121.662 119.914 -0.031 0.000 2.221 464 V HA -0.139 3.981 4.120 0.000 0.000 0.242 464 V C 2.670 178.751 176.094 -0.022 0.000 1.041 464 V CA 1.717 64.005 62.300 -0.020 0.000 0.995 464 V CB -0.947 30.867 31.823 -0.015 0.000 0.635 464 V HN 0.468 nan 8.190 nan 0.000 0.448 465 V N 0.485 120.343 119.914 -0.092 0.000 2.317 465 V HA -0.364 3.756 4.120 0.000 0.000 0.251 465 V C 2.675 178.726 176.094 -0.072 0.000 1.065 465 V CA 2.343 64.536 62.300 -0.178 0.000 1.049 465 V CB -1.374 30.113 31.823 -0.560 0.000 0.651 465 V HN 0.591 nan 8.190 nan 0.000 0.450 466 A N 0.329 123.110 122.820 -0.065 0.000 1.841 466 A HA -0.318 4.003 4.320 0.000 0.000 0.216 466 A C 2.052 179.651 177.584 0.024 0.000 1.199 466 A CA 2.485 54.510 52.037 -0.019 0.000 0.621 466 A CB -1.041 17.947 19.000 -0.020 0.000 0.835 466 A HN 0.688 nan 8.150 nan 0.000 0.445 467 N N -0.884 117.829 118.700 0.021 0.000 2.061 467 N HA -0.156 4.584 4.740 0.000 0.000 0.193 467 N C 1.764 177.311 175.510 0.061 0.000 1.030 467 N CA 1.865 54.935 53.050 0.032 0.000 0.856 467 N CB -0.372 38.126 38.487 0.018 0.000 1.023 467 N HN 0.530 nan 8.380 nan 0.000 0.424 468 T N 0.735 115.337 114.554 0.080 0.000 2.652 468 T HA -0.122 4.228 4.350 0.000 0.000 0.267 468 T C 2.159 176.994 174.700 0.225 0.000 1.039 468 T CA 1.128 63.303 62.100 0.124 0.000 1.153 468 T CB -0.481 68.473 68.868 0.144 0.000 0.863 468 T HN 0.015 nan 8.240 nan 0.000 0.428 469 V N 1.555 121.608 119.914 0.232 0.000 2.392 469 V HA -0.195 3.925 4.120 0.000 0.000 0.249 469 V C 2.441 178.657 176.094 0.202 0.000 1.059 469 V CA 1.604 64.039 62.300 0.226 0.000 1.051 469 V CB -0.538 31.350 31.823 0.109 0.000 0.658 469 V HN 0.488 nan 8.190 nan 0.000 0.455 470 K N 0.274 120.751 120.400 0.128 0.000 2.148 470 K HA -0.061 4.259 4.320 0.000 0.000 0.204 470 K C 1.997 178.654 176.600 0.096 0.000 1.050 470 K CA 1.208 57.553 56.287 0.096 0.000 0.942 470 K CB -0.461 32.074 32.500 0.059 0.000 0.724 470 K HN 0.563 nan 8.250 nan 0.000 0.446 471 G N 0.804 109.665 108.800 0.102 0.000 2.882 471 G HA2 0.013 3.973 3.960 0.000 0.000 0.206 471 G HA3 0.013 3.973 3.960 0.000 0.000 0.206 471 G C 0.477 175.407 174.900 0.050 0.000 1.155 471 G CA 0.316 45.454 45.100 0.064 0.000 0.800 471 G HN 0.318 nan 8.290 nan 0.000 0.524 472 G N -1.101 107.770 108.800 0.118 0.000 2.971 472 G HA2 0.533 4.493 3.960 0.000 0.000 0.235 472 G HA3 0.533 4.493 3.960 0.000 0.000 0.235 472 G C -1.720 173.216 174.900 0.061 0.000 1.351 472 G CA -0.386 44.732 45.100 0.031 0.000 1.039 472 G HN 0.107 nan 8.290 nan 0.000 0.563 473 D N -3.011 117.419 120.400 0.050 0.000 2.661 473 D HA 0.540 5.180 4.640 0.000 0.000 0.228 473 D C 0.551 176.909 176.300 0.097 0.000 1.210 473 D CA 1.169 55.205 54.000 0.060 0.000 0.826 473 D CB 1.623 42.429 40.800 0.010 0.000 1.542 473 D HN 1.314 nan 8.370 nan 0.000 0.447 474 G N 2.213 111.062 108.800 0.083 0.000 2.512 474 G HA2 -0.281 3.679 3.960 0.000 0.000 0.254 474 G HA3 -0.281 3.679 3.960 0.000 0.000 0.254 474 G C 0.145 175.110 174.900 0.108 0.000 1.199 474 G CA 0.185 45.335 45.100 0.084 0.000 0.941 474 G HN 0.590 nan 8.290 nan 0.000 0.569 475 N N 0.185 118.949 118.700 0.107 0.000 2.378 475 N HA 0.347 5.087 4.740 0.000 0.000 0.243 475 N C -0.107 175.482 175.510 0.132 0.000 1.137 475 N CA 0.028 53.135 53.050 0.095 0.000 0.862 475 N CB 0.233 38.757 38.487 0.062 0.000 1.116 475 N HN 0.553 nan 8.380 nan 0.000 0.499 476 Y N 0.732 121.063 120.300 0.052 0.000 2.393 476 Y HA 0.535 5.085 4.550 0.000 0.000 0.338 476 Y C 0.691 176.651 175.900 0.099 0.000 1.029 476 Y CA -0.286 57.859 58.100 0.075 0.000 1.239 476 Y CB 0.137 38.642 38.460 0.075 0.000 1.170 476 Y HN 0.061 nan 8.280 nan 0.000 0.515 477 G N 4.157 112.735 108.800 -0.369 0.000 2.911 477 G HA2 0.264 4.224 3.960 0.000 0.000 0.299 477 G HA3 0.264 4.224 3.960 0.000 0.000 0.299 477 G C -2.382 172.331 174.900 -0.312 0.000 1.283 477 G CA -0.892 44.047 45.100 -0.269 0.000 0.805 477 G HN 0.561 nan 8.290 nan 0.000 0.548 478 Y N 1.432 121.515 120.300 -0.360 0.000 2.338 478 Y HA 0.547 5.097 4.550 0.000 0.000 0.328 478 Y C -0.265 175.437 175.900 -0.329 0.000 0.965 478 Y CA -1.314 56.474 58.100 -0.521 0.000 1.208 478 Y CB 1.389 39.460 38.460 -0.649 0.000 1.132 478 Y HN 0.432 nan 8.280 nan 0.000 0.469 479 N N 4.766 123.075 118.700 -0.651 0.000 2.399 479 N HA 0.137 4.877 4.740 0.000 0.000 0.259 479 N C 0.522 175.525 175.510 -0.846 0.000 1.160 479 N CA 0.643 53.385 53.050 -0.514 0.000 0.946 479 N CB 1.391 39.672 38.487 -0.344 0.000 1.156 479 N HN 0.859 nan 8.380 nan 0.000 0.489 480 A N 3.523 126.005 122.820 -0.564 0.000 2.172 480 A HA 0.065 4.385 4.320 0.000 0.000 0.216 480 A C 1.882 179.315 177.584 -0.253 0.000 1.154 480 A CA 1.289 53.089 52.037 -0.395 0.000 0.701 480 A CB -0.368 18.633 19.000 0.002 0.000 0.789 480 A HN 0.729 nan 8.150 nan 0.000 0.465 481 A N -0.581 122.098 122.820 -0.235 0.000 2.021 481 A HA 0.062 4.382 4.320 0.000 0.000 0.216 481 A C 2.234 179.728 177.584 -0.149 0.000 1.163 481 A CA 1.999 53.949 52.037 -0.146 0.000 0.676 481 A CB -0.532 18.401 19.000 -0.112 0.000 0.818 481 A HN 0.711 nan 8.150 nan 0.000 0.453 482 T N -4.647 109.777 114.554 -0.216 0.000 2.971 482 T HA 0.235 4.585 4.350 0.000 0.000 0.252 482 T C 0.432 175.021 174.700 -0.184 0.000 1.022 482 T CA 0.859 62.861 62.100 -0.164 0.000 0.980 482 T CB -0.134 68.651 68.868 -0.139 0.000 1.044 482 T HN 0.524 nan 8.240 nan 0.000 0.501 483 E N 0.687 120.669 120.200 -0.364 0.000 3.413 483 E HA -0.146 4.204 4.350 0.000 0.000 0.300 483 E C -0.841 175.656 176.600 -0.171 0.000 0.891 483 E CA 0.767 56.980 56.400 -0.312 0.000 1.050 483 E CB -1.718 27.975 29.700 -0.013 0.000 1.534 483 E HN 0.753 nan 8.360 nan 0.000 0.436 484 E N 0.607 120.663 120.200 -0.241 0.000 2.141 484 E HA 0.263 4.613 4.350 0.000 0.000 0.259 484 E C -0.614 175.969 176.600 -0.027 0.000 0.883 484 E CA -0.643 55.751 56.400 -0.009 0.000 0.744 484 E CB 0.717 30.422 29.700 0.007 0.000 1.150 484 E HN 0.049 nan 8.360 nan 0.000 0.420 485 Y N 1.531 121.824 120.300 -0.012 0.000 2.546 485 Y HA 0.321 4.871 4.550 0.000 0.000 0.351 485 Y C 1.456 177.333 175.900 -0.038 0.000 1.266 485 Y CA 0.804 58.860 58.100 -0.074 0.000 1.487 485 Y CB 0.424 38.871 38.460 -0.022 0.000 1.365 485 Y HN 0.697 nan 8.280 nan 0.000 0.642 486 G N 0.146 108.975 108.800 0.047 0.000 2.452 486 G HA2 0.008 3.968 3.960 0.000 0.000 0.224 486 G HA3 0.008 3.968 3.960 0.000 0.000 0.224 486 G C -1.643 173.337 174.900 0.134 0.000 1.208 486 G CA -0.987 44.214 45.100 0.169 0.000 0.946 486 G HN 0.603 nan 8.290 nan 0.000 0.481 487 N N 1.299 120.071 118.700 0.121 0.000 2.462 487 N HA 0.206 4.947 4.740 0.000 0.000 0.242 487 N C 1.680 177.209 175.510 0.030 0.000 1.010 487 N CA -0.589 52.522 53.050 0.102 0.000 0.939 487 N CB 0.954 39.502 38.487 0.101 0.000 1.127 487 N HN 0.352 nan 8.380 nan 0.000 0.509 488 M N 3.102 122.703 119.600 0.003 0.000 2.108 488 M HA -0.200 4.280 4.480 0.000 0.000 0.257 488 M C 1.546 177.841 176.300 -0.007 0.000 1.071 488 M CA 1.273 56.560 55.300 -0.022 0.000 1.093 488 M CB -0.575 32.009 32.600 -0.026 0.000 1.345 488 M HN 0.556 nan 8.290 nan 0.000 0.403 489 I N -0.112 120.465 120.570 0.011 0.000 2.286 489 I HA -0.216 3.954 4.170 0.000 0.000 0.245 489 I C 1.737 177.859 176.117 0.009 0.000 1.104 489 I CA 1.358 62.664 61.300 0.010 0.000 1.397 489 I CB -1.531 36.480 38.000 0.019 0.000 1.072 489 I HN 0.209 nan 8.210 nan 0.000 0.417 490 D N 0.729 121.139 120.400 0.016 0.000 2.144 490 D HA -0.138 4.502 4.640 0.000 0.000 0.199 490 D C 2.119 178.420 176.300 0.003 0.000 0.984 490 D CA 1.091 55.100 54.000 0.014 0.000 0.834 490 D CB -0.115 40.700 40.800 0.025 0.000 0.955 490 D HN 0.241 nan 8.370 nan 0.000 0.465 491 M N -0.647 118.949 119.600 -0.007 0.000 2.618 491 M HA 0.156 4.636 4.480 0.000 0.000 0.240 491 M C 0.706 176.991 176.300 -0.026 0.000 1.123 491 M CA 0.302 55.589 55.300 -0.022 0.000 1.060 491 M CB 0.405 32.980 32.600 -0.042 0.000 1.535 491 M HN 0.071 nan 8.290 nan 0.000 0.507 492 G N 2.288 111.078 108.800 -0.017 0.000 2.324 492 G HA2 -0.235 3.725 3.960 0.000 0.000 0.292 492 G HA3 -0.235 3.725 3.960 0.000 0.000 0.292 492 G C -0.163 174.723 174.900 -0.023 0.000 1.079 492 G CA -0.229 44.861 45.100 -0.016 0.000 1.026 492 G HN 0.573 nan 8.290 nan 0.000 0.506 493 I N 0.768 121.323 120.570 -0.025 0.000 2.871 493 I HA 0.242 4.412 4.170 0.000 0.000 0.284 493 I C 0.149 176.255 176.117 -0.019 0.000 1.390 493 I CA -0.803 60.478 61.300 -0.030 0.000 0.958 493 I CB 0.298 38.267 38.000 -0.052 0.000 1.618 493 I HN 0.182 nan 8.210 nan 0.000 0.595 494 L N 0.858 122.076 121.223 -0.010 0.000 2.341 494 L HA 0.840 5.180 4.340 0.000 0.000 0.267 494 L C -0.595 176.275 176.870 0.001 0.000 1.022 494 L CA -0.773 54.066 54.840 -0.002 0.000 0.844 494 L CB 0.567 42.628 42.059 0.003 0.000 1.436 494 L HN -0.023 nan 8.230 nan 0.000 0.483 495 D N -1.335 119.069 120.400 0.007 0.000 2.861 495 D HA 0.306 4.946 4.640 0.000 0.000 0.216 495 D C -2.844 173.465 176.300 0.014 0.000 1.323 495 D CA -0.825 53.181 54.000 0.010 0.000 0.917 495 D CB 2.406 43.212 40.800 0.009 0.000 1.582 495 D HN 0.321 nan 8.370 nan 0.000 0.576 496 P HA 0.000 nan 4.420 nan 0.000 0.260 496 P C 0.996 178.308 177.300 0.021 0.000 1.185 496 P CA 0.298 63.410 63.100 0.021 0.000 0.763 496 P CB 0.605 32.322 31.700 0.027 0.000 0.776 497 T N 3.191 117.756 114.554 0.019 0.000 2.680 497 T HA -0.270 4.080 4.350 0.000 0.000 0.268 497 T C 1.634 176.345 174.700 0.019 0.000 1.033 497 T CA 1.503 63.613 62.100 0.017 0.000 1.152 497 T CB -0.353 68.523 68.868 0.015 0.000 0.859 497 T HN 0.502 nan 8.240 nan 0.000 0.452 498 K N 0.692 121.105 120.400 0.022 0.000 2.074 498 K HA -0.153 4.167 4.320 0.000 0.000 0.209 498 K C 2.454 179.074 176.600 0.034 0.000 1.048 498 K CA 1.742 58.045 56.287 0.027 0.000 0.926 498 K CB -0.414 32.105 32.500 0.033 0.000 0.713 498 K HN 0.368 nan 8.250 nan 0.000 0.444 499 V N -0.222 119.713 119.914 0.035 0.000 2.283 499 V HA -0.178 3.942 4.120 0.000 0.000 0.243 499 V C 1.802 177.920 176.094 0.039 0.000 1.039 499 V CA 2.437 64.761 62.300 0.040 0.000 1.016 499 V CB -0.852 30.989 31.823 0.030 0.000 0.650 499 V HN 0.341 nan 8.190 nan 0.000 0.449 500 T N 0.411 114.982 114.554 0.028 0.000 2.759 500 T HA -0.218 4.132 4.350 0.000 0.000 0.269 500 T C 1.961 176.675 174.700 0.023 0.000 1.042 500 T CA 2.300 64.415 62.100 0.024 0.000 1.140 500 T CB -0.423 68.456 68.868 0.018 0.000 0.864 500 T HN 0.626 nan 8.240 nan 0.000 0.455 501 R N 0.790 121.301 120.500 0.017 0.000 2.070 501 R HA -0.091 4.249 4.340 0.000 0.000 0.232 501 R C 2.676 178.973 176.300 -0.004 0.000 1.138 501 R CA 1.788 57.889 56.100 0.001 0.000 0.936 501 R CB -0.446 29.851 30.300 -0.005 0.000 0.839 501 R HN 0.241 nan 8.270 nan 0.000 0.429 502 S N 0.775 116.488 115.700 0.022 0.000 2.359 502 S HA -0.245 4.225 4.470 0.000 0.000 0.222 502 S C 2.081 176.766 174.600 0.142 0.000 1.038 502 S CA 1.499 59.736 58.200 0.062 0.000 1.051 502 S CB -0.577 62.722 63.200 0.165 0.000 0.944 502 S HN 0.604 nan 8.310 nan 0.000 0.433 503 A N 1.290 124.190 122.820 0.134 0.000 1.903 503 A HA -0.177 4.143 4.320 0.000 0.000 0.219 503 A C 2.178 179.821 177.584 0.098 0.000 1.191 503 A CA 1.987 54.099 52.037 0.125 0.000 0.638 503 A CB -0.882 18.159 19.000 0.069 0.000 0.823 503 A HN 0.426 nan 8.150 nan 0.000 0.451 504 L N -0.343 120.909 121.223 0.048 0.000 2.056 504 L HA -0.162 4.178 4.340 0.000 0.000 0.207 504 L C 2.505 179.376 176.870 0.003 0.000 1.078 504 L CA 2.241 57.096 54.840 0.025 0.000 0.749 504 L CB -0.777 41.287 42.059 0.008 0.000 0.901 504 L HN 0.481 nan 8.230 nan 0.000 0.433 505 Q N -1.369 118.400 119.800 -0.051 0.000 2.096 505 Q HA -0.243 4.097 4.340 0.000 0.000 0.204 505 Q C 2.203 178.108 176.000 -0.159 0.000 0.982 505 Q CA 2.031 57.743 55.803 -0.151 0.000 0.850 505 Q CB -0.432 28.129 28.738 -0.295 0.000 0.901 505 Q HN 0.537 nan 8.270 nan 0.000 0.422 506 Y N 0.371 120.671 120.300 0.001 0.000 2.243 506 Y HA -0.072 4.478 4.550 0.000 0.000 0.293 506 Y C 2.493 178.393 175.900 0.000 0.000 1.124 506 Y CA 0.751 58.851 58.100 -0.000 0.000 1.159 506 Y CB -0.741 37.718 38.460 -0.002 0.000 1.008 506 Y HN 0.103 nan 8.280 nan 0.000 0.527 507 A N 0.219 123.138 122.820 0.165 0.000 1.917 507 A HA -0.223 4.097 4.320 0.000 0.000 0.219 507 A C 2.473 180.096 177.584 0.065 0.000 1.182 507 A CA 2.189 54.281 52.037 0.092 0.000 0.633 507 A CB -1.314 17.723 19.000 0.062 0.000 0.819 507 A HN 0.408 nan 8.150 nan 0.000 0.448 508 A N -0.855 121.992 122.820 0.046 0.000 1.908 508 A HA -0.129 4.191 4.320 0.000 0.000 0.218 508 A C 2.474 180.077 177.584 0.031 0.000 1.181 508 A CA 2.301 54.353 52.037 0.024 0.000 0.627 508 A CB -1.034 17.966 19.000 0.000 0.000 0.818 508 A HN 0.614 nan 8.150 nan 0.000 0.445 509 S N -0.870 114.859 115.700 0.048 0.000 2.354 509 S HA -0.166 4.304 4.470 0.000 0.000 0.219 509 S C 2.007 176.643 174.600 0.060 0.000 1.035 509 S CA 1.916 60.151 58.200 0.058 0.000 1.037 509 S CB -0.716 62.550 63.200 0.110 0.000 0.956 509 S HN 0.688 nan 8.310 nan 0.000 0.428 510 V N 1.883 121.843 119.914 0.076 0.000 2.407 510 V HA -0.038 4.082 4.120 0.000 0.000 0.248 510 V C 2.547 178.664 176.094 0.037 0.000 1.055 510 V CA 2.141 64.473 62.300 0.053 0.000 1.049 510 V CB -1.221 30.631 31.823 0.050 0.000 0.662 510 V HN 0.606 nan 8.190 nan 0.000 0.455 511 A N 0.285 123.126 122.820 0.036 0.000 1.865 511 A HA -0.084 4.236 4.320 0.000 0.000 0.217 511 A C 2.434 180.031 177.584 0.022 0.000 1.191 511 A CA 2.146 54.199 52.037 0.026 0.000 0.623 511 A CB -1.657 17.358 19.000 0.024 0.000 0.826 511 A HN 0.685 nan 8.150 nan 0.000 0.444 512 G N -0.161 108.652 108.800 0.021 0.000 2.476 512 G HA2 -0.226 3.734 3.960 0.000 0.000 0.218 512 G HA3 -0.226 3.734 3.960 0.000 0.000 0.218 512 G C 1.570 176.481 174.900 0.018 0.000 1.164 512 G CA 1.150 46.260 45.100 0.017 0.000 0.768 512 G HN 0.444 nan 8.290 nan 0.000 0.560 513 L N -0.206 121.031 121.223 0.022 0.000 2.013 513 L HA -0.159 4.181 4.340 0.000 0.000 0.212 513 L C 3.165 180.047 176.870 0.020 0.000 1.073 513 L CA 1.485 56.339 54.840 0.022 0.000 0.753 513 L CB -0.404 41.670 42.059 0.026 0.000 0.890 513 L HN 0.267 nan 8.230 nan 0.000 0.432 514 M N -0.679 118.933 119.600 0.020 0.000 2.132 514 M HA -0.186 4.294 4.480 0.000 0.000 0.263 514 M C 2.311 178.619 176.300 0.014 0.000 1.065 514 M CA 1.734 57.044 55.300 0.017 0.000 1.122 514 M CB -0.405 32.205 32.600 0.017 0.000 1.365 514 M HN 0.195 nan 8.290 nan 0.000 0.411 515 I N 0.284 120.863 120.570 0.014 0.000 2.423 515 I HA -0.214 3.956 4.170 0.000 0.000 0.254 515 I C 1.766 177.891 176.117 0.014 0.000 1.151 515 I CA 1.470 62.777 61.300 0.012 0.000 1.421 515 I CB -0.661 37.345 38.000 0.011 0.000 1.079 515 I HN 0.419 nan 8.210 nan 0.000 0.431 516 T N -3.256 111.307 114.554 0.016 0.000 3.223 516 T HA 0.163 4.513 4.350 0.000 0.000 0.259 516 T C 0.529 175.241 174.700 0.021 0.000 1.015 516 T CA -0.307 61.804 62.100 0.018 0.000 0.908 516 T CB -0.367 68.511 68.868 0.017 0.000 1.054 516 T HN -0.045 nan 8.240 nan 0.000 0.567 517 T N 2.175 116.741 114.554 0.020 0.000 2.882 517 T HA 0.359 4.709 4.350 0.000 0.000 0.287 517 T C 0.551 175.267 174.700 0.026 0.000 0.992 517 T CA -0.528 61.585 62.100 0.021 0.000 1.076 517 T CB 1.613 70.490 68.868 0.015 0.000 0.961 517 T HN 0.049 nan 8.240 nan 0.000 0.490 518 E N 0.148 120.371 120.200 0.039 0.000 2.541 518 E HA 0.206 4.556 4.350 0.000 0.000 0.219 518 E C -0.206 176.443 176.600 0.082 0.000 0.922 518 E CA 0.055 56.498 56.400 0.072 0.000 1.095 518 E CB 0.759 30.519 29.700 0.100 0.000 1.112 518 E HN 0.603 nan 8.360 nan 0.000 0.516 519 C N 0.631 119.933 119.300 0.003 0.000 3.113 519 C HA 0.632 5.092 4.460 0.000 0.000 0.376 519 C C -1.487 173.422 174.990 -0.135 0.000 1.077 519 C CA -0.641 58.287 59.018 -0.149 0.000 1.253 519 C CB 0.135 27.787 27.740 -0.147 0.000 1.637 519 C HN 0.114 nan 8.230 nan 0.000 0.535 520 M N 4.954 124.455 119.600 -0.165 0.000 2.465 520 M HA 0.661 5.141 4.480 0.000 0.000 0.316 520 M C -0.955 175.380 176.300 0.059 0.000 1.121 520 M CA -0.662 54.648 55.300 0.016 0.000 0.934 520 M CB 2.141 34.852 32.600 0.185 0.000 1.692 520 M HN 0.414 nan 8.290 nan 0.000 0.444 521 V N 1.315 121.251 119.914 0.036 0.000 2.483 521 V HA 0.745 4.865 4.120 0.000 0.000 0.297 521 V C -0.355 175.699 176.094 -0.066 0.000 1.027 521 V CA -0.335 61.964 62.300 -0.003 0.000 0.855 521 V CB 1.977 33.782 31.823 -0.029 0.000 0.995 521 V HN 0.971 nan 8.190 nan 0.000 0.424 522 T N 2.403 116.863 114.554 -0.156 0.000 2.792 522 T HA 0.426 4.776 4.350 0.000 0.000 0.303 522 T C -1.201 173.365 174.700 -0.223 0.000 1.310 522 T CA -0.555 61.389 62.100 -0.260 0.000 1.007 522 T CB 1.849 70.402 68.868 -0.525 0.000 1.335 522 T HN 0.649 nan 8.240 nan 0.000 0.504 523 D N 1.172 121.459 120.400 -0.189 0.000 2.368 523 D HA 0.375 5.015 4.640 0.000 0.000 0.240 523 D C -0.278 175.942 176.300 -0.133 0.000 1.169 523 D CA -0.190 53.734 54.000 -0.128 0.000 0.906 523 D CB 0.359 41.102 40.800 -0.095 0.000 1.187 523 D HN 0.187 nan 8.370 nan 0.000 0.435 524 L N 3.194 124.371 121.223 -0.076 0.000 2.360 524 L HA 0.251 4.591 4.340 0.000 0.000 0.276 524 L C -1.449 175.392 176.870 -0.048 0.000 1.121 524 L CA -1.274 53.536 54.840 -0.051 0.000 0.845 524 L CB -0.297 41.749 42.059 -0.022 0.000 1.143 524 L HN 0.413 nan 8.230 nan 0.000 0.452 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.081 63.100 -0.032 0.000 0.800 525 P CB 0.000 31.692 31.700 -0.014 0.000 0.726