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_F 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 0.000 177.582 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 0.557 123.376 122.820 -0.001 0.000 2.561 3 A HA 0.491 4.811 4.320 0.000 0.000 0.234 3 A C 0.094 177.676 177.584 -0.002 0.000 1.055 3 A CA 0.628 52.667 52.037 0.004 0.000 0.756 3 A CB -0.244 18.760 19.000 0.007 0.000 0.986 3 A HN 0.523 nan 8.150 nan 0.000 0.505 4 K N 0.975 121.378 120.400 0.005 0.000 2.352 4 K HA 0.512 4.832 4.320 0.000 0.000 0.240 4 K C -1.345 175.268 176.600 0.021 0.000 1.017 4 K CA -0.739 55.546 56.287 -0.003 0.000 0.851 4 K CB 1.713 34.211 32.500 -0.003 0.000 1.261 4 K HN 0.735 nan 8.250 nan 0.000 0.451 5 D N 0.562 120.974 120.400 0.021 0.000 2.362 5 D HA 0.449 5.089 4.640 0.000 0.000 0.247 5 D C -1.418 174.987 176.300 0.176 0.000 1.050 5 D CA -0.564 53.501 54.000 0.108 0.000 0.839 5 D CB 1.535 42.414 40.800 0.131 0.000 1.283 5 D HN 0.083 nan 8.370 nan 0.000 0.477 6 V N 4.064 124.071 119.914 0.155 0.000 2.577 6 V HA 0.437 4.557 4.120 0.000 0.000 0.303 6 V C 0.091 176.117 176.094 -0.114 0.000 1.042 6 V CA -0.863 61.442 62.300 0.008 0.000 0.872 6 V CB 1.830 33.600 31.823 -0.087 0.000 0.998 6 V HN 0.388 nan 8.190 nan 0.000 0.423 7 K N 3.208 123.429 120.400 -0.298 0.000 2.221 7 K HA 0.773 5.093 4.320 0.000 0.000 0.243 7 K C -1.569 174.723 176.600 -0.512 0.000 0.968 7 K CA -0.595 55.462 56.287 -0.384 0.000 0.846 7 K CB 2.386 34.466 32.500 -0.700 0.000 1.141 7 K HN 0.440 nan 8.250 nan 0.000 0.434 8 F N -0.464 119.427 119.950 -0.098 0.000 2.577 8 F HA 0.320 4.847 4.527 0.000 0.000 0.318 8 F C 1.167 176.931 175.800 -0.060 0.000 1.065 8 F CA 0.083 58.050 58.000 -0.056 0.000 0.929 8 F CB 1.745 40.725 39.000 -0.034 0.000 1.237 8 F HN 0.845 nan 8.300 nan 0.000 0.468 9 G N 2.374 111.287 108.800 0.189 0.000 2.684 9 G HA2 -0.461 3.499 3.960 0.000 0.000 0.342 9 G HA3 -0.461 3.499 3.960 0.000 0.000 0.342 9 G C 1.400 176.318 174.900 0.031 0.000 1.316 9 G CA 0.987 46.142 45.100 0.091 0.000 0.994 9 G HN 0.768 nan 8.290 nan 0.000 0.541 10 N N 0.393 119.106 118.700 0.022 0.000 2.049 10 N HA -0.226 4.514 4.740 0.000 0.000 0.198 10 N C 1.872 177.368 175.510 -0.024 0.000 1.030 10 N CA 2.429 55.479 53.050 -0.001 0.000 0.870 10 N CB -0.405 38.082 38.487 0.001 0.000 1.045 10 N HN 0.594 nan 8.380 nan 0.000 0.434 11 D N 0.387 120.771 120.400 -0.028 0.000 2.127 11 D HA -0.133 4.507 4.640 0.000 0.000 0.190 11 D C 1.694 177.912 176.300 -0.137 0.000 1.000 11 D CA 1.830 55.787 54.000 -0.071 0.000 0.839 11 D CB -0.509 40.252 40.800 -0.064 0.000 0.955 11 D HN 0.370 nan 8.370 nan 0.000 0.446 12 A N 0.109 122.832 122.820 -0.161 0.000 2.070 12 A HA -0.143 4.177 4.320 0.000 0.000 0.220 12 A C 2.309 179.820 177.584 -0.121 0.000 1.159 12 A CA 1.205 53.103 52.037 -0.231 0.000 0.656 12 A CB -0.344 18.528 19.000 -0.213 0.000 0.800 12 A HN 0.220 nan 8.150 nan 0.000 0.453 13 R N -0.603 119.857 120.500 -0.066 0.000 2.057 13 R HA -0.058 4.282 4.340 0.000 0.000 0.224 13 R C 2.259 178.543 176.300 -0.027 0.000 1.136 13 R CA 1.400 57.481 56.100 -0.031 0.000 0.968 13 R CB -0.687 29.605 30.300 -0.013 0.000 0.863 13 R HN 0.542 nan 8.270 nan 0.000 0.433 14 V N 0.390 120.285 119.914 -0.032 0.000 2.453 14 V HA -0.257 3.863 4.120 0.000 0.000 0.252 14 V C 1.961 178.044 176.094 -0.019 0.000 1.068 14 V CA 1.621 63.907 62.300 -0.022 0.000 1.070 14 V CB -0.480 31.328 31.823 -0.025 0.000 0.664 14 V HN 0.117 nan 8.190 nan 0.000 0.461 15 K N -0.001 120.375 120.400 -0.040 0.000 2.026 15 K HA -0.047 4.273 4.320 0.000 0.000 0.208 15 K C 2.241 178.860 176.600 0.032 0.000 1.048 15 K CA 2.264 58.545 56.287 -0.010 0.000 0.929 15 K CB -0.553 31.911 32.500 -0.059 0.000 0.713 15 K HN 0.578 nan 8.250 nan 0.000 0.439 16 M N 0.257 119.873 119.600 0.027 0.000 2.067 16 M HA -0.203 4.277 4.480 0.000 0.000 0.260 16 M C 2.299 178.614 176.300 0.025 0.000 1.069 16 M CA 1.262 56.585 55.300 0.039 0.000 1.117 16 M CB -0.506 32.113 32.600 0.031 0.000 1.334 16 M HN 0.051 nan 8.290 nan 0.000 0.407 17 L N 0.796 122.027 121.223 0.014 0.000 1.990 17 L HA -0.241 4.099 4.340 0.000 0.000 0.213 17 L C 2.503 179.380 176.870 0.012 0.000 1.072 17 L CA 2.107 56.954 54.840 0.011 0.000 0.755 17 L CB -0.760 41.303 42.059 0.006 0.000 0.889 17 L HN 0.196 nan 8.230 nan 0.000 0.432 18 R N -0.371 120.136 120.500 0.012 0.000 2.119 18 R HA -0.160 4.180 4.340 0.000 0.000 0.246 18 R C 2.099 178.409 176.300 0.018 0.000 1.146 18 R CA 1.941 58.049 56.100 0.013 0.000 0.962 18 R CB -1.141 29.168 30.300 0.014 0.000 0.863 18 R HN 0.575 nan 8.270 nan 0.000 0.442 19 G N -0.399 108.416 108.800 0.025 0.000 2.454 19 G HA2 -0.236 3.724 3.960 0.000 0.000 0.214 19 G HA3 -0.236 3.724 3.960 0.000 0.000 0.214 19 G C 1.414 176.324 174.900 0.017 0.000 1.217 19 G CA 0.635 45.750 45.100 0.025 0.000 0.799 19 G HN 0.292 nan 8.290 nan 0.000 0.538 20 V N 1.369 121.293 119.914 0.016 0.000 2.546 20 V HA -0.212 3.908 4.120 0.000 0.000 0.254 20 V C 2.398 178.497 176.094 0.009 0.000 1.076 20 V CA 2.579 64.886 62.300 0.011 0.000 1.087 20 V CB -0.564 31.266 31.823 0.013 0.000 0.674 20 V HN 0.301 nan 8.190 nan 0.000 0.470 21 N N 0.198 118.903 118.700 0.009 0.000 2.120 21 N HA -0.123 4.617 4.740 0.000 0.000 0.188 21 N C 1.759 177.272 175.510 0.005 0.000 1.024 21 N CA 1.838 54.892 53.050 0.007 0.000 0.852 21 N CB -0.472 38.019 38.487 0.007 0.000 1.003 21 N HN 0.499 nan 8.380 nan 0.000 0.424 22 V N 1.549 121.467 119.914 0.006 0.000 2.295 22 V HA -0.196 3.924 4.120 0.000 0.000 0.246 22 V C 2.416 178.511 176.094 0.001 0.000 1.049 22 V CA 1.138 63.440 62.300 0.003 0.000 1.024 22 V CB -0.651 31.175 31.823 0.004 0.000 0.648 22 V HN 0.196 nan 8.190 nan 0.000 0.447 23 L N 1.169 122.393 121.223 0.001 0.000 1.976 23 L HA -0.102 4.238 4.340 0.000 0.000 0.209 23 L C 2.495 179.364 176.870 -0.002 0.000 1.071 23 L CA 2.546 57.385 54.840 -0.001 0.000 0.746 23 L CB -1.194 40.864 42.059 -0.001 0.000 0.890 23 L HN 0.208 nan 8.230 nan 0.000 0.432 24 A N -0.710 122.111 122.820 0.001 0.000 1.883 24 A HA -0.241 4.079 4.320 0.000 0.000 0.217 24 A C 2.008 179.593 177.584 0.000 0.000 1.186 24 A CA 2.028 54.066 52.037 0.001 0.000 0.624 24 A CB -0.988 18.014 19.000 0.004 0.000 0.822 24 A HN 0.624 nan 8.150 nan 0.000 0.444 25 D N -0.052 120.348 120.400 0.001 0.000 2.178 25 D HA -0.017 4.623 4.640 0.000 0.000 0.202 25 D C 2.127 178.426 176.300 -0.001 0.000 0.974 25 D CA 1.371 55.372 54.000 0.000 0.000 0.841 25 D CB -0.327 40.474 40.800 0.001 0.000 0.953 25 D HN 0.465 nan 8.370 nan 0.000 0.478 26 A N 0.543 123.361 122.820 -0.003 0.000 1.968 26 A HA -0.049 4.271 4.320 0.000 0.000 0.217 26 A C 2.334 179.915 177.584 -0.006 0.000 1.169 26 A CA 0.703 52.737 52.037 -0.004 0.000 0.638 26 A CB -0.394 18.603 19.000 -0.005 0.000 0.812 26 A HN 0.174 nan 8.150 nan 0.000 0.446 27 V N 0.840 120.751 119.914 -0.005 0.000 2.725 27 V HA -0.116 4.004 4.120 0.000 0.000 0.247 27 V C 2.342 178.433 176.094 -0.006 0.000 1.058 27 V CA 1.984 64.280 62.300 -0.007 0.000 1.080 27 V CB -0.359 31.459 31.823 -0.008 0.000 0.713 27 V HN 0.798 nan 8.190 nan 0.000 0.465 28 K N 0.880 121.278 120.400 -0.003 0.000 2.439 28 K HA -0.014 4.306 4.320 0.000 0.000 0.197 28 K C 1.288 177.887 176.600 -0.002 0.000 1.041 28 K CA 1.478 57.764 56.287 -0.002 0.000 0.970 28 K CB -0.491 32.009 32.500 0.001 0.000 0.773 28 K HN 0.503 nan 8.250 nan 0.000 0.479 29 V N -0.159 119.754 119.914 -0.003 0.000 3.570 29 V HA 0.033 4.153 4.120 0.000 0.000 0.293 29 V C 1.232 177.324 176.094 -0.004 0.000 1.237 29 V CA 0.956 63.255 62.300 -0.003 0.000 1.226 29 V CB -1.106 30.715 31.823 -0.003 0.000 1.028 29 V HN 0.560 nan 8.190 nan 0.000 0.430 30 T N -3.882 110.669 114.554 -0.005 0.000 3.177 30 T HA 0.271 4.621 4.350 0.000 0.000 0.262 30 T C 0.608 175.304 174.700 -0.007 0.000 0.959 30 T CA -0.195 61.901 62.100 -0.007 0.000 0.996 30 T CB -0.210 68.653 68.868 -0.009 0.000 1.185 30 T HN 0.237 nan 8.240 nan 0.000 0.486 31 L N 3.652 124.872 121.223 -0.006 0.000 2.972 31 L HA 0.264 4.604 4.340 0.000 0.000 0.312 31 L C 1.243 178.109 176.870 -0.006 0.000 1.169 31 L CA 1.843 56.680 54.840 -0.005 0.000 0.873 31 L CB -1.527 40.531 42.059 -0.002 0.000 1.237 31 L HN 0.964 nan 8.230 nan 0.000 0.510 32 G N 5.468 114.262 108.800 -0.010 0.000 3.408 32 G HA2 -0.184 3.776 3.960 0.000 0.000 0.676 32 G HA3 -0.184 3.776 3.960 0.000 0.000 0.676 32 G C -1.391 173.499 174.900 -0.017 0.000 1.517 32 G CA -0.513 44.578 45.100 -0.015 0.000 1.245 32 G HN 0.724 nan 8.290 nan 0.000 0.597 33 P HA -0.289 nan 4.420 nan 0.000 0.274 33 P C 1.096 178.384 177.300 -0.021 0.000 0.809 33 P CA 2.271 65.353 63.100 -0.030 0.000 1.024 33 P CB -0.296 31.377 31.700 -0.045 0.000 0.888 34 K N 0.911 121.300 120.400 -0.018 0.000 3.319 34 K HA 0.215 4.535 4.320 0.000 0.000 0.296 34 K C 1.020 177.616 176.600 -0.007 0.000 0.916 34 K CA 0.590 56.871 56.287 -0.011 0.000 1.103 34 K CB -1.487 31.009 32.500 -0.006 0.000 1.142 34 K HN 0.399 nan 8.250 nan 0.000 0.416 35 G N 1.261 110.055 108.800 -0.009 0.000 2.527 35 G HA2 0.193 4.153 3.960 0.000 0.000 0.248 35 G HA3 0.193 4.153 3.960 0.000 0.000 0.248 35 G C 0.135 175.031 174.900 -0.006 0.000 1.231 35 G CA -0.577 44.519 45.100 -0.007 0.000 0.838 35 G HN 0.150 nan 8.290 nan 0.000 0.570 36 R N 0.525 121.022 120.500 -0.005 0.000 2.606 36 R HA 0.291 4.631 4.340 0.000 0.000 0.249 36 R C -0.113 176.183 176.300 -0.006 0.000 1.127 36 R CA -0.917 55.180 56.100 -0.005 0.000 1.133 36 R CB 0.118 30.416 30.300 -0.004 0.000 1.243 36 R HN 0.617 nan 8.270 nan 0.000 0.558 37 N N -1.041 117.655 118.700 -0.006 0.000 2.508 37 N HA 0.414 5.154 4.740 0.000 0.000 0.285 37 N C -1.072 174.434 175.510 -0.007 0.000 1.144 37 N CA -0.572 52.474 53.050 -0.007 0.000 0.978 37 N CB 1.430 39.913 38.487 -0.006 0.000 1.180 37 N HN 0.099 nan 8.380 nan 0.000 0.484 38 V N 1.338 121.247 119.914 -0.008 0.000 2.483 38 V HA 0.295 4.415 4.120 0.000 0.000 0.297 38 V C -0.517 175.572 176.094 -0.009 0.000 1.027 38 V CA -0.900 61.395 62.300 -0.008 0.000 0.855 38 V CB 1.562 33.380 31.823 -0.009 0.000 0.995 38 V HN 0.364 nan 8.190 nan 0.000 0.424 39 V N 6.391 126.299 119.914 -0.010 0.000 2.368 39 V HA 0.344 4.464 4.120 0.000 0.000 0.266 39 V C 0.057 176.143 176.094 -0.012 0.000 1.045 39 V CA -0.281 62.013 62.300 -0.011 0.000 0.899 39 V CB 0.888 32.705 31.823 -0.011 0.000 1.006 39 V HN 0.654 nan 8.190 nan 0.000 0.470 40 L N 4.209 125.425 121.223 -0.012 0.000 2.270 40 L HA 0.393 4.733 4.340 0.000 0.000 0.286 40 L C 0.310 177.171 176.870 -0.014 0.000 1.059 40 L CA -0.393 54.439 54.840 -0.013 0.000 0.839 40 L CB 0.753 42.806 42.059 -0.011 0.000 1.221 40 L HN 0.587 nan 8.230 nan 0.000 0.431 41 D N 3.594 123.983 120.400 -0.019 0.000 2.443 41 D HA 0.055 4.695 4.640 0.000 0.000 0.239 41 D C -0.221 176.066 176.300 -0.022 0.000 1.136 41 D CA 0.318 54.303 54.000 -0.026 0.000 0.879 41 D CB 0.829 41.607 40.800 -0.036 0.000 1.195 41 D HN 0.357 nan 8.370 nan 0.000 0.443 42 K N 2.382 122.769 120.400 -0.020 0.000 2.463 42 K HA 0.248 4.568 4.320 0.000 0.000 0.255 42 K C 1.099 177.695 176.600 -0.006 0.000 0.942 42 K CA -0.344 55.940 56.287 -0.005 0.000 0.814 42 K CB 1.031 33.536 32.500 0.008 0.000 1.122 42 K HN 0.653 nan 8.250 nan 0.000 0.425 43 S N 3.784 119.487 115.700 0.005 0.000 2.068 43 S HA -0.308 4.162 4.470 0.000 0.000 0.498 43 S C 0.449 175.040 174.600 -0.014 0.000 0.963 43 S CA 1.286 59.498 58.200 0.021 0.000 3.049 43 S CB -0.841 62.416 63.200 0.095 0.000 2.163 43 S HN 0.528 nan 8.310 nan 0.000 0.541 44 F N 2.444 122.391 119.950 -0.005 0.000 2.507 44 F HA 0.675 5.202 4.527 0.000 0.000 0.325 44 F C 0.904 176.702 175.800 -0.004 0.000 1.116 44 F CA 0.665 58.662 58.000 -0.004 0.000 0.930 44 F CB 1.763 40.761 39.000 -0.004 0.000 1.146 44 F HN 0.955 nan 8.300 nan 0.000 0.447 45 G N 1.769 110.682 108.800 0.189 0.000 2.280 45 G HA2 0.414 4.374 3.960 0.000 0.000 0.277 45 G HA3 0.414 4.374 3.960 0.000 0.000 0.277 45 G C -1.797 173.130 174.900 0.045 0.000 1.288 45 G CA -0.449 44.722 45.100 0.118 0.000 1.075 45 G HN 0.985 nan 8.290 nan 0.000 0.480 46 A N 0.601 123.441 122.820 0.033 0.000 2.306 46 A HA 0.872 5.192 4.320 0.000 0.000 0.314 46 A C -1.635 175.951 177.584 0.004 0.000 1.164 46 A CA -0.826 51.218 52.037 0.012 0.000 0.822 46 A CB 0.254 19.262 19.000 0.013 0.000 1.130 46 A HN 0.607 nan 8.150 nan 0.000 0.496 47 P HA 0.185 nan 4.420 nan 0.000 0.272 47 P C -0.267 177.031 177.300 -0.004 0.000 1.243 47 P CA 0.258 63.353 63.100 -0.009 0.000 0.803 47 P CB 0.360 32.051 31.700 -0.014 0.000 0.974 48 T N 1.061 115.612 114.554 -0.006 0.000 2.792 48 T HA 0.525 4.875 4.350 0.000 0.000 0.280 48 T C -0.023 174.674 174.700 -0.006 0.000 0.990 48 T CA -0.320 61.778 62.100 -0.004 0.000 0.960 48 T CB 0.193 69.059 68.868 -0.004 0.000 0.939 48 T HN 0.154 nan 8.240 nan 0.000 0.439 49 I N 2.958 123.524 120.570 -0.005 0.000 2.330 49 I HA 0.453 4.623 4.170 0.000 0.000 0.289 49 I C 0.448 176.561 176.117 -0.007 0.000 1.001 49 I CA -0.369 60.927 61.300 -0.006 0.000 1.193 49 I CB 1.499 39.495 38.000 -0.006 0.000 1.345 49 I HN 0.491 nan 8.210 nan 0.000 0.461 50 T N 4.700 119.249 114.554 -0.008 0.000 2.883 50 T HA 0.418 4.768 4.350 0.000 0.000 0.296 50 T C 0.171 174.865 174.700 -0.009 0.000 1.117 50 T CA -0.518 61.577 62.100 -0.008 0.000 1.006 50 T CB 1.817 70.679 68.868 -0.009 0.000 1.191 50 T HN 0.623 nan 8.240 nan 0.000 0.508 51 K N 0.925 121.320 120.400 -0.009 0.000 2.447 51 K HA 0.192 4.512 4.320 0.000 0.000 0.205 51 K C -0.700 175.894 176.600 -0.011 0.000 1.059 51 K CA -0.211 56.070 56.287 -0.010 0.000 1.065 51 K CB 0.583 33.077 32.500 -0.010 0.000 0.885 51 K HN 0.431 nan 8.250 nan 0.000 0.545 52 D N 0.437 120.830 120.400 -0.012 0.000 2.352 52 D HA 0.076 4.716 4.640 0.000 0.000 0.245 52 D C 1.267 177.558 176.300 -0.016 0.000 1.224 52 D CA 0.024 54.016 54.000 -0.014 0.000 0.879 52 D CB 1.117 41.908 40.800 -0.015 0.000 1.057 52 D HN 0.220 nan 8.370 nan 0.000 0.491 53 G N 2.560 111.351 108.800 -0.016 0.000 2.475 53 G HA2 -0.251 3.709 3.960 0.000 0.000 0.220 53 G HA3 -0.251 3.709 3.960 0.000 0.000 0.220 53 G C 1.495 176.383 174.900 -0.020 0.000 1.125 53 G CA 1.056 46.146 45.100 -0.016 0.000 0.755 53 G HN 0.495 nan 8.290 nan 0.000 0.565 54 V N 0.973 120.873 119.914 -0.024 0.000 2.343 54 V HA -0.192 3.928 4.120 0.000 0.000 0.247 54 V C 2.973 179.052 176.094 -0.026 0.000 1.051 54 V CA 2.263 64.546 62.300 -0.028 0.000 1.036 54 V CB -0.946 30.857 31.823 -0.033 0.000 0.654 54 V HN 0.342 nan 8.190 nan 0.000 0.451 55 S N 0.031 115.718 115.700 -0.022 0.000 2.368 55 S HA -0.117 4.353 4.470 0.000 0.000 0.224 55 S C 2.063 176.653 174.600 -0.018 0.000 1.029 55 S CA 1.336 59.524 58.200 -0.019 0.000 0.988 55 S CB -0.242 62.949 63.200 -0.016 0.000 0.838 55 S HN 0.365 nan 8.310 nan 0.000 0.462 56 V N 2.068 121.972 119.914 -0.016 0.000 2.343 56 V HA -0.214 3.906 4.120 0.000 0.000 0.247 56 V C 2.650 178.735 176.094 -0.016 0.000 1.051 56 V CA 1.751 64.042 62.300 -0.015 0.000 1.036 56 V CB -1.106 30.710 31.823 -0.013 0.000 0.654 56 V HN 0.546 nan 8.190 nan 0.000 0.451 57 A N -0.383 122.426 122.820 -0.018 0.000 1.898 57 A HA -0.243 4.077 4.320 0.000 0.000 0.216 57 A C 2.398 179.969 177.584 -0.022 0.000 1.181 57 A CA 1.849 53.875 52.037 -0.019 0.000 0.620 57 A CB -0.602 18.384 19.000 -0.023 0.000 0.819 57 A HN 0.460 nan 8.150 nan 0.000 0.442 58 R N -0.416 120.069 120.500 -0.024 0.000 2.117 58 R HA -0.175 4.165 4.340 0.000 0.000 0.243 58 R C 1.708 177.994 176.300 -0.023 0.000 1.143 58 R CA 1.753 57.838 56.100 -0.026 0.000 0.968 58 R CB -0.130 30.154 30.300 -0.028 0.000 0.863 58 R HN 0.524 nan 8.270 nan 0.000 0.444 59 E N 0.311 120.500 120.200 -0.019 0.000 2.122 59 E HA -0.034 4.316 4.350 0.000 0.000 0.190 59 E C 0.732 177.323 176.600 -0.015 0.000 0.977 59 E CA 0.104 56.495 56.400 -0.017 0.000 0.820 59 E CB -0.017 29.674 29.700 -0.015 0.000 0.770 59 E HN 0.219 nan 8.360 nan 0.000 0.462 60 I N 2.272 122.834 120.570 -0.015 0.000 2.826 60 I HA -0.095 4.075 4.170 0.000 0.000 0.295 60 I C 0.551 176.660 176.117 -0.013 0.000 1.213 60 I CA 1.006 62.299 61.300 -0.012 0.000 1.436 60 I CB -0.327 37.667 38.000 -0.011 0.000 1.348 60 I HN 0.111 nan 8.210 nan 0.000 0.570 61 E N 7.057 127.251 120.200 -0.011 0.000 2.651 61 E HA 0.247 4.597 4.350 0.000 0.000 0.360 61 E C -1.412 175.182 176.600 -0.010 0.000 0.932 61 E CA -0.456 55.937 56.400 -0.012 0.000 0.761 61 E CB 0.824 30.515 29.700 -0.015 0.000 1.462 61 E HN 0.438 nan 8.360 nan 0.000 0.392 62 L N 2.576 123.795 121.223 -0.006 0.000 2.476 62 L HA 0.262 4.602 4.340 0.000 0.000 0.255 62 L C 1.756 178.622 176.870 -0.007 0.000 1.218 62 L CA -0.043 54.795 54.840 -0.003 0.000 0.819 62 L CB 0.443 42.505 42.059 0.006 0.000 1.119 62 L HN 0.680 nan 8.230 nan 0.000 0.485 63 E N 0.209 120.408 120.200 -0.003 0.000 2.060 63 E HA -0.145 4.205 4.350 0.000 0.000 0.189 63 E C 0.503 177.099 176.600 -0.007 0.000 0.974 63 E CA 0.137 56.533 56.400 -0.007 0.000 0.808 63 E CB 0.260 29.959 29.700 -0.003 0.000 0.768 63 E HN 0.665 nan 8.360 nan 0.000 0.453 64 D N 1.149 121.555 120.400 0.011 0.000 2.412 64 D HA -0.076 4.564 4.640 0.000 0.000 0.257 64 D C 0.761 177.059 176.300 -0.004 0.000 1.217 64 D CA 0.027 54.044 54.000 0.029 0.000 0.897 64 D CB 0.844 41.688 40.800 0.074 0.000 1.132 64 D HN 0.066 nan 8.370 nan 0.000 0.493 65 K N 3.809 124.158 120.400 -0.084 0.000 2.144 65 K HA -0.213 4.107 4.320 0.000 0.000 0.209 65 K C 1.866 178.320 176.600 -0.243 0.000 1.047 65 K CA 1.332 57.490 56.287 -0.214 0.000 0.927 65 K CB -0.480 31.795 32.500 -0.375 0.000 0.716 65 K HN 0.470 nan 8.250 nan 0.000 0.454 66 F N 1.569 121.507 119.950 -0.020 0.000 2.118 66 F HA -0.027 4.500 4.527 0.000 0.000 0.293 66 F C 2.506 178.294 175.800 -0.019 0.000 1.102 66 F CA 0.981 58.967 58.000 -0.024 0.000 1.247 66 F CB -0.620 38.364 39.000 -0.026 0.000 1.017 66 F HN 0.070 nan 8.300 nan 0.000 0.475 67 E N 0.036 120.346 120.200 0.183 0.000 2.118 67 E HA -0.271 4.079 4.350 0.000 0.000 0.195 67 E C 1.845 178.478 176.600 0.054 0.000 0.992 67 E CA 1.388 57.845 56.400 0.095 0.000 0.804 67 E CB -0.300 29.440 29.700 0.068 0.000 0.741 67 E HN 0.303 nan 8.360 nan 0.000 0.458 68 N N 0.496 119.215 118.700 0.032 0.000 2.039 68 N HA -0.176 4.564 4.740 0.000 0.000 0.193 68 N C 1.734 177.247 175.510 0.006 0.000 1.044 68 N CA 1.520 54.573 53.050 0.004 0.000 0.847 68 N CB -0.047 38.427 38.487 -0.021 0.000 1.030 68 N HN 0.037 nan 8.380 nan 0.000 0.422 69 M N -0.337 119.265 119.600 0.004 0.000 2.113 69 M HA -0.194 4.286 4.480 0.000 0.000 0.255 69 M C 2.197 178.510 176.300 0.023 0.000 1.073 69 M CA 2.074 57.379 55.300 0.009 0.000 1.091 69 M CB -0.992 31.623 32.600 0.024 0.000 1.309 69 M HN 0.395 nan 8.290 nan 0.000 0.407 70 G N -0.383 108.442 108.800 0.041 0.000 2.491 70 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 70 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 70 G C 1.585 176.497 174.900 0.019 0.000 1.180 70 G CA 1.264 46.384 45.100 0.034 0.000 0.774 70 G HN 0.594 nan 8.290 nan 0.000 0.562 71 A N -0.513 122.317 122.820 0.016 0.000 1.930 71 A HA -0.015 4.305 4.320 0.000 0.000 0.217 71 A C 2.374 179.958 177.584 0.000 0.000 1.175 71 A CA 1.835 53.876 52.037 0.007 0.000 0.627 71 A CB -0.311 18.692 19.000 0.005 0.000 0.815 71 A HN 0.317 nan 8.150 nan 0.000 0.443 72 Q N -0.812 118.988 119.800 -0.002 0.000 2.224 72 Q HA -0.052 4.288 4.340 0.000 0.000 0.203 72 Q C 2.038 178.034 176.000 -0.007 0.000 0.970 72 Q CA 1.165 56.963 55.803 -0.008 0.000 0.865 72 Q CB -0.352 28.379 28.738 -0.012 0.000 0.922 72 Q HN 0.767 nan 8.270 nan 0.000 0.445 73 M N -0.251 119.350 119.600 0.000 0.000 2.156 73 M HA -0.124 4.356 4.480 0.000 0.000 0.264 73 M C 2.202 178.503 176.300 0.001 0.000 1.067 73 M CA 1.259 56.560 55.300 0.003 0.000 1.131 73 M CB -0.197 32.410 32.600 0.012 0.000 1.368 73 M HN 0.146 nan 8.290 nan 0.000 0.416 74 V N -1.681 118.234 119.914 0.003 0.000 2.809 74 V HA -0.153 3.967 4.120 0.000 0.000 0.256 74 V C 1.836 177.922 176.094 -0.013 0.000 1.080 74 V CA 1.511 63.813 62.300 0.002 0.000 1.102 74 V CB -0.720 31.108 31.823 0.007 0.000 0.705 74 V HN 0.383 nan 8.190 nan 0.000 0.475 75 K N 0.473 120.862 120.400 -0.018 0.000 2.057 75 K HA -0.141 4.179 4.320 0.000 0.000 0.206 75 K C 2.291 178.863 176.600 -0.047 0.000 1.050 75 K CA 1.670 57.939 56.287 -0.031 0.000 0.935 75 K CB -0.260 32.224 32.500 -0.027 0.000 0.715 75 K HN 0.720 nan 8.250 nan 0.000 0.439 76 E N 1.026 121.203 120.200 -0.039 0.000 2.049 76 E HA -0.232 4.118 4.350 0.000 0.000 0.198 76 E C 1.994 178.543 176.600 -0.086 0.000 1.007 76 E CA 2.142 58.512 56.400 -0.050 0.000 0.809 76 E CB -0.020 29.663 29.700 -0.029 0.000 0.749 76 E HN 0.205 nan 8.360 nan 0.000 0.450 77 V N -0.882 118.988 119.914 -0.073 0.000 2.283 77 V HA -0.010 4.110 4.120 0.000 0.000 0.243 77 V C 2.457 178.422 176.094 -0.216 0.000 1.039 77 V CA 1.768 63.992 62.300 -0.127 0.000 1.016 77 V CB -1.115 30.711 31.823 0.006 0.000 0.650 77 V HN 0.332 nan 8.190 nan 0.000 0.449 78 A N 1.596 124.352 122.820 -0.107 0.000 1.997 78 A HA -0.228 4.092 4.320 0.000 0.000 0.221 78 A C 2.542 180.037 177.584 -0.148 0.000 1.172 78 A CA 3.020 55.000 52.037 -0.096 0.000 0.645 78 A CB -1.166 17.809 19.000 -0.043 0.000 0.813 78 A HN 1.099 nan 8.150 nan 0.000 0.454 79 S N -0.535 115.072 115.700 -0.155 0.000 2.436 79 S HA -0.070 4.400 4.470 0.000 0.000 0.228 79 S C 1.698 176.163 174.600 -0.225 0.000 1.014 79 S CA 1.059 59.171 58.200 -0.147 0.000 0.950 79 S CB -0.269 62.867 63.200 -0.105 0.000 0.784 79 S HN 0.624 nan 8.310 nan 0.000 0.504 80 K N 1.576 121.752 120.400 -0.374 0.000 2.211 80 K HA 0.033 4.353 4.320 0.000 0.000 0.204 80 K C 2.364 178.608 176.600 -0.593 0.000 1.047 80 K CA 1.197 57.146 56.287 -0.563 0.000 0.935 80 K CB -0.444 31.477 32.500 -0.965 0.000 0.728 80 K HN 0.537 nan 8.250 nan 0.000 0.452 81 A N 1.296 123.807 122.820 -0.514 0.000 1.929 81 A HA -0.153 4.167 4.320 0.000 0.000 0.216 81 A C 1.880 179.429 177.584 -0.058 0.000 1.176 81 A CA 1.534 53.497 52.037 -0.125 0.000 0.628 81 A CB -0.476 18.545 19.000 0.035 0.000 0.816 81 A HN 0.266 nan 8.150 nan 0.000 0.444 82 N N 0.146 118.786 118.700 -0.100 0.000 2.244 82 N HA -0.121 4.619 4.740 0.000 0.000 0.183 82 N C 1.003 176.455 175.510 -0.096 0.000 1.016 82 N CA 1.423 54.422 53.050 -0.086 0.000 0.866 82 N CB -0.120 38.313 38.487 -0.089 0.000 0.980 82 N HN 0.348 nan 8.380 nan 0.000 0.430 83 D N -0.795 119.547 120.400 -0.096 0.000 2.312 83 D HA 0.017 4.657 4.640 0.000 0.000 0.211 83 D C 1.350 177.633 176.300 -0.029 0.000 0.964 83 D CA 0.578 54.535 54.000 -0.072 0.000 0.877 83 D CB 0.078 40.834 40.800 -0.073 0.000 0.924 83 D HN 0.407 nan 8.370 nan 0.000 0.515 84 A N 0.300 123.118 122.820 -0.004 0.000 1.924 84 A HA 0.362 4.682 4.320 0.000 0.000 0.211 84 A C 1.882 179.498 177.584 0.054 0.000 1.198 84 A CA 1.037 53.106 52.037 0.054 0.000 0.657 84 A CB 0.279 19.358 19.000 0.132 0.000 0.852 84 A HN 0.150 nan 8.150 nan 0.000 0.454 85 A N -1.968 120.871 122.820 0.032 0.000 2.545 85 A HA 0.477 4.798 4.320 0.000 0.000 0.263 85 A C 1.463 179.039 177.584 -0.013 0.000 1.202 85 A CA 0.934 52.992 52.037 0.035 0.000 0.959 85 A CB -0.516 18.510 19.000 0.042 0.000 1.124 85 A HN 1.792 nan 8.150 nan 0.000 0.543 86 G N -0.392 108.345 108.800 -0.105 0.000 2.168 86 G HA2 -0.190 3.770 3.960 0.000 0.000 0.257 86 G HA3 -0.190 3.770 3.960 0.000 0.000 0.257 86 G C -0.136 174.676 174.900 -0.147 0.000 0.997 86 G CA 0.983 45.925 45.100 -0.262 0.000 0.708 86 G HN 1.065 nan 8.290 nan 0.000 0.520 87 D N -3.165 117.190 120.400 -0.077 0.000 2.926 87 D HA 0.566 5.206 4.640 0.000 0.000 0.282 87 D C 0.474 176.761 176.300 -0.021 0.000 1.201 87 D CA 1.351 55.322 54.000 -0.047 0.000 0.735 87 D CB -0.112 40.670 40.800 -0.030 0.000 1.257 87 D HN 1.549 nan 8.370 nan 0.000 0.428 88 G N 0.156 108.947 108.800 -0.015 0.000 2.270 88 G HA2 -0.183 3.777 3.960 0.000 0.000 0.224 88 G HA3 -0.183 3.777 3.960 0.000 0.000 0.224 88 G C 0.670 175.568 174.900 -0.003 0.000 1.079 88 G CA 0.589 45.689 45.100 0.000 0.000 0.807 88 G HN 0.510 nan 8.290 nan 0.000 0.492 89 T N 0.138 114.681 114.554 -0.019 0.000 2.904 89 T HA 0.011 4.361 4.350 0.000 0.000 0.243 89 T C 2.694 177.386 174.700 -0.014 0.000 1.024 89 T CA 1.998 64.083 62.100 -0.026 0.000 1.158 89 T CB -0.335 68.509 68.868 -0.041 0.000 0.867 89 T HN 0.421 nan 8.240 nan 0.000 0.429 90 T N 2.450 116.996 114.554 -0.014 0.000 2.685 90 T HA -0.176 4.174 4.350 0.000 0.000 0.268 90 T C 2.120 176.820 174.700 -0.001 0.000 1.034 90 T CA 1.940 64.035 62.100 -0.008 0.000 1.149 90 T CB -0.936 67.926 68.868 -0.009 0.000 0.860 90 T HN 0.431 nan 8.240 nan 0.000 0.449 91 T N 2.435 116.990 114.554 0.003 0.000 2.595 91 T HA -0.074 4.276 4.350 0.000 0.000 0.264 91 T C 2.482 177.193 174.700 0.018 0.000 1.058 91 T CA 1.297 63.403 62.100 0.010 0.000 1.166 91 T CB -0.930 67.946 68.868 0.014 0.000 0.863 91 T HN 0.473 nan 8.240 nan 0.000 0.415 92 A N 1.360 124.195 122.820 0.026 0.000 1.997 92 A HA -0.214 4.106 4.320 0.000 0.000 0.221 92 A C 2.514 180.115 177.584 0.028 0.000 1.172 92 A CA 2.378 54.439 52.037 0.041 0.000 0.645 92 A CB -1.444 17.588 19.000 0.055 0.000 0.813 92 A HN 0.544 nan 8.150 nan 0.000 0.454 93 T N -0.434 114.128 114.554 0.014 0.000 2.698 93 T HA -0.113 4.237 4.350 0.000 0.000 0.260 93 T C 2.033 176.740 174.700 0.011 0.000 1.044 93 T CA 2.014 64.120 62.100 0.009 0.000 1.149 93 T CB -0.899 67.969 68.868 0.000 0.000 0.864 93 T HN 0.792 nan 8.240 nan 0.000 0.419 94 V N 0.833 120.753 119.914 0.009 0.000 2.688 94 V HA -0.095 4.025 4.120 0.000 0.000 0.256 94 V C 2.111 178.212 176.094 0.012 0.000 1.084 94 V CA 1.539 63.844 62.300 0.009 0.000 1.103 94 V CB -1.057 30.770 31.823 0.008 0.000 0.688 94 V HN 0.452 nan 8.190 nan 0.000 0.480 95 L N 0.071 121.304 121.223 0.017 0.000 2.044 95 L HA 0.051 4.391 4.340 0.000 0.000 0.205 95 L C 3.011 179.893 176.870 0.020 0.000 1.075 95 L CA 1.537 56.389 54.840 0.019 0.000 0.747 95 L CB -0.815 41.259 42.059 0.026 0.000 0.903 95 L HN 0.451 nan 8.230 nan 0.000 0.435 96 A N -0.544 122.290 122.820 0.023 0.000 1.902 96 A HA -0.285 4.035 4.320 0.000 0.000 0.217 96 A C 2.202 179.796 177.584 0.017 0.000 1.181 96 A CA 1.783 53.834 52.037 0.023 0.000 0.623 96 A CB -0.585 18.431 19.000 0.026 0.000 0.818 96 A HN 0.495 nan 8.150 nan 0.000 0.443 97 Q N -0.361 119.447 119.800 0.014 0.000 2.061 97 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 97 Q C 2.197 178.203 176.000 0.011 0.000 0.984 97 Q CA 1.942 57.752 55.803 0.011 0.000 0.846 97 Q CB -0.394 28.350 28.738 0.009 0.000 0.902 97 Q HN 0.596 nan 8.270 nan 0.000 0.421 98 A N 1.063 123.889 122.820 0.011 0.000 1.851 98 A HA -0.215 4.105 4.320 0.000 0.000 0.216 98 A C 2.047 179.637 177.584 0.010 0.000 1.195 98 A CA 1.743 53.786 52.037 0.010 0.000 0.622 98 A CB -0.949 18.057 19.000 0.010 0.000 0.831 98 A HN 0.515 nan 8.150 nan 0.000 0.444 99 I N -0.229 120.348 120.570 0.012 0.000 2.118 99 I HA -0.318 3.852 4.170 0.000 0.000 0.241 99 I C 2.417 178.541 176.117 0.011 0.000 1.070 99 I CA 1.803 63.110 61.300 0.012 0.000 1.327 99 I CB -0.520 37.488 38.000 0.014 0.000 1.034 99 I HN 0.332 nan 8.210 nan 0.000 0.405 100 I N 0.301 120.878 120.570 0.012 0.000 2.208 100 I HA -0.290 3.881 4.170 0.000 0.000 0.245 100 I C 2.596 178.718 176.117 0.009 0.000 1.097 100 I CA 1.585 62.892 61.300 0.011 0.000 1.363 100 I CB -0.674 37.334 38.000 0.013 0.000 1.051 100 I HN 0.313 nan 8.210 nan 0.000 0.413 101 T N 0.394 114.953 114.554 0.008 0.000 2.595 101 T HA -0.171 4.179 4.350 0.000 0.000 0.264 101 T C 1.811 176.515 174.700 0.006 0.000 1.058 101 T CA 1.384 63.488 62.100 0.007 0.000 1.166 101 T CB -0.205 68.666 68.868 0.006 0.000 0.863 101 T HN 0.308 nan 8.240 nan 0.000 0.415 102 E N 0.686 120.890 120.200 0.006 0.000 2.153 102 E HA -0.036 4.314 4.350 0.000 0.000 0.194 102 E C 2.480 179.084 176.600 0.005 0.000 0.988 102 E CA 1.011 57.414 56.400 0.005 0.000 0.811 102 E CB -0.850 28.854 29.700 0.005 0.000 0.746 102 E HN 0.574 nan 8.360 nan 0.000 0.466 103 G N 1.828 110.632 108.800 0.006 0.000 2.480 103 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 103 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 103 G C 1.716 176.620 174.900 0.006 0.000 1.200 103 G CA 0.717 45.821 45.100 0.007 0.000 0.782 103 G HN 0.195 nan 8.290 nan 0.000 0.554 104 L N 0.206 121.433 121.223 0.006 0.000 2.191 104 L HA -0.056 4.284 4.340 0.000 0.000 0.212 104 L C 2.784 179.657 176.870 0.004 0.000 1.103 104 L CA 1.383 56.226 54.840 0.005 0.000 0.769 104 L CB -0.322 41.740 42.059 0.004 0.000 0.908 104 L HN 0.258 nan 8.230 nan 0.000 0.438 105 K N 0.514 120.916 120.400 0.004 0.000 2.057 105 K HA -0.149 4.171 4.320 0.000 0.000 0.206 105 K C 2.165 178.766 176.600 0.003 0.000 1.050 105 K CA 1.280 57.569 56.287 0.003 0.000 0.935 105 K CB -0.062 32.439 32.500 0.003 0.000 0.715 105 K HN 0.257 nan 8.250 nan 0.000 0.439 106 A N 0.285 123.107 122.820 0.003 0.000 1.969 106 A HA -0.062 4.258 4.320 0.000 0.000 0.218 106 A C 2.150 179.736 177.584 0.004 0.000 1.169 106 A CA 1.286 53.325 52.037 0.003 0.000 0.635 106 A CB -0.408 18.595 19.000 0.004 0.000 0.810 106 A HN 0.154 nan 8.150 nan 0.000 0.445 107 V N -0.078 119.839 119.914 0.004 0.000 2.307 107 V HA -0.236 3.884 4.120 0.000 0.000 0.245 107 V C 3.051 179.147 176.094 0.004 0.000 1.045 107 V CA 1.874 64.177 62.300 0.005 0.000 1.024 107 V CB -1.263 30.564 31.823 0.006 0.000 0.651 107 V HN 0.586 nan 8.190 nan 0.000 0.449 108 A N 0.211 123.032 122.820 0.003 0.000 1.978 108 A HA -0.106 4.214 4.320 0.000 0.000 0.220 108 A C 2.246 179.830 177.584 0.001 0.000 1.170 108 A CA 1.792 53.830 52.037 0.001 0.000 0.636 108 A CB -0.718 18.282 19.000 0.000 0.000 0.810 108 A HN 0.628 nan 8.150 nan 0.000 0.448 109 A N -1.702 121.119 122.820 0.001 0.000 2.248 109 A HA 0.344 4.664 4.320 0.000 0.000 0.210 109 A C 1.958 179.543 177.584 0.001 0.000 1.174 109 A CA 1.345 53.383 52.037 0.001 0.000 0.750 109 A CB -1.211 17.790 19.000 0.002 0.000 0.780 109 A HN 1.926 nan 8.150 nan 0.000 0.478 110 G N -1.942 106.858 108.800 0.001 0.000 2.225 110 G HA2 -0.305 3.655 3.960 0.000 0.000 0.254 110 G HA3 -0.305 3.655 3.960 0.000 0.000 0.254 110 G C 0.395 175.296 174.900 0.002 0.000 0.988 110 G CA 0.439 45.539 45.100 0.001 0.000 0.625 110 G HN 0.448 nan 8.290 nan 0.000 0.527 111 M N 0.528 120.130 119.600 0.003 0.000 2.184 111 M HA 0.168 4.648 4.480 0.000 0.000 0.296 111 M C 0.868 177.171 176.300 0.004 0.000 1.165 111 M CA -0.145 55.157 55.300 0.003 0.000 1.175 111 M CB 0.112 32.714 32.600 0.003 0.000 1.392 111 M HN 0.263 nan 8.290 nan 0.000 0.457 112 N N 1.275 119.978 118.700 0.004 0.000 2.514 112 N HA 0.168 4.908 4.740 0.000 0.000 0.277 112 N C -2.287 173.227 175.510 0.007 0.000 1.126 112 N CA -1.500 51.553 53.050 0.005 0.000 0.978 112 N CB 1.494 39.984 38.487 0.005 0.000 1.106 112 N HN 0.208 nan 8.380 nan 0.000 0.461 113 P HA 0.008 nan 4.420 nan 0.000 0.214 113 P C 1.672 178.977 177.300 0.009 0.000 1.162 113 P CA 1.132 64.237 63.100 0.010 0.000 0.874 113 P CB 0.205 31.913 31.700 0.013 0.000 0.784 114 M N -0.503 119.103 119.600 0.009 0.000 2.337 114 M HA -0.152 4.328 4.480 0.000 0.000 0.261 114 M C 1.176 177.480 176.300 0.006 0.000 1.067 114 M CA 1.592 56.897 55.300 0.008 0.000 1.074 114 M CB -1.409 31.196 32.600 0.009 0.000 1.395 114 M HN 0.044 nan 8.290 nan 0.000 0.431 115 D N -0.306 120.097 120.400 0.006 0.000 2.259 115 D HA 0.058 4.698 4.640 0.000 0.000 0.216 115 D C 2.248 178.551 176.300 0.004 0.000 0.961 115 D CA 0.534 54.536 54.000 0.004 0.000 0.878 115 D CB 0.162 40.964 40.800 0.004 0.000 1.009 115 D HN 0.299 nan 8.370 nan 0.000 0.490 116 L N 1.311 122.537 121.223 0.005 0.000 2.043 116 L HA -0.222 4.118 4.340 0.000 0.000 0.212 116 L C 2.583 179.456 176.870 0.005 0.000 1.075 116 L CA 1.289 56.132 54.840 0.005 0.000 0.752 116 L CB -0.361 41.702 42.059 0.006 0.000 0.891 116 L HN 0.023 nan 8.230 nan 0.000 0.432 117 K N 0.523 120.927 120.400 0.006 0.000 1.969 117 K HA -0.266 4.054 4.320 0.000 0.000 0.216 117 K C 2.293 178.895 176.600 0.003 0.000 1.048 117 K CA 1.765 58.055 56.287 0.006 0.000 0.948 117 K CB -0.194 32.310 32.500 0.007 0.000 0.726 117 K HN 0.028 nan 8.250 nan 0.000 0.442 118 R N -0.237 120.265 120.500 0.003 0.000 2.133 118 R HA -0.155 4.185 4.340 0.000 0.000 0.247 118 R C 2.308 178.608 176.300 0.000 0.000 1.151 118 R CA 1.874 57.975 56.100 0.001 0.000 0.971 118 R CB -0.686 29.615 30.300 0.001 0.000 0.866 118 R HN 0.528 nan 8.270 nan 0.000 0.447 119 G N 0.339 109.140 108.800 0.002 0.000 2.422 119 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 119 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 119 G C 1.402 176.302 174.900 0.001 0.000 1.146 119 G CA 0.835 45.936 45.100 0.001 0.000 0.769 119 G HN 0.288 nan 8.290 nan 0.000 0.547 120 I N 0.764 121.335 120.570 0.002 0.000 2.286 120 I HA -0.077 4.093 4.170 0.000 0.000 0.245 120 I C 2.088 178.204 176.117 -0.002 0.000 1.104 120 I CA 0.946 62.246 61.300 0.002 0.000 1.397 120 I CB -0.113 37.889 38.000 0.004 0.000 1.072 120 I HN 0.023 nan 8.210 nan 0.000 0.417 121 D N 0.826 121.224 120.400 -0.003 0.000 2.218 121 D HA -0.201 4.439 4.640 0.000 0.000 0.204 121 D C 1.998 178.293 176.300 -0.009 0.000 0.976 121 D CA 1.098 55.093 54.000 -0.008 0.000 0.853 121 D CB -0.086 40.709 40.800 -0.008 0.000 0.939 121 D HN 0.315 nan 8.370 nan 0.000 0.481 122 K N 0.826 121.223 120.400 -0.005 0.000 2.007 122 K HA -0.016 4.304 4.320 0.000 0.000 0.206 122 K C 2.084 178.681 176.600 -0.004 0.000 1.047 122 K CA 1.099 57.383 56.287 -0.005 0.000 0.937 122 K CB -0.081 32.417 32.500 -0.003 0.000 0.718 122 K HN -0.037 nan 8.250 nan 0.000 0.438 123 A N 0.667 123.486 122.820 -0.002 0.000 1.997 123 A HA -0.154 4.166 4.320 0.000 0.000 0.221 123 A C 2.162 179.744 177.584 -0.003 0.000 1.172 123 A CA 1.931 53.968 52.037 -0.001 0.000 0.645 123 A CB -0.633 18.368 19.000 0.001 0.000 0.813 123 A HN 0.219 nan 8.150 nan 0.000 0.454 124 V N -1.714 118.196 119.914 -0.006 0.000 2.331 124 V HA -0.145 3.975 4.120 0.000 0.000 0.242 124 V C 2.605 178.690 176.094 -0.014 0.000 1.034 124 V CA 2.146 64.440 62.300 -0.011 0.000 1.027 124 V CB -1.122 30.691 31.823 -0.016 0.000 0.667 124 V HN 0.543 nan 8.190 nan 0.000 0.457 125 T N 0.355 114.899 114.554 -0.016 0.000 2.714 125 T HA -0.284 4.066 4.350 0.000 0.000 0.268 125 T C 1.899 176.592 174.700 -0.011 0.000 1.036 125 T CA 2.039 64.129 62.100 -0.017 0.000 1.148 125 T CB -0.300 68.560 68.868 -0.014 0.000 0.856 125 T HN 0.568 nan 8.240 nan 0.000 0.462 126 A N 0.839 123.654 122.820 -0.007 0.000 1.855 126 A HA 0.337 4.657 4.320 0.000 0.000 0.213 126 A C 2.643 180.226 177.584 -0.002 0.000 1.195 126 A CA 1.594 53.629 52.037 -0.004 0.000 0.610 126 A CB -1.140 17.859 19.000 -0.001 0.000 0.837 126 A HN 0.510 nan 8.150 nan 0.000 0.444 127 A N -0.427 122.392 122.820 -0.002 0.000 1.986 127 A HA -0.043 4.277 4.320 0.000 0.000 0.220 127 A C 2.163 179.746 177.584 -0.002 0.000 1.171 127 A CA 1.888 53.925 52.037 0.000 0.000 0.640 127 A CB -0.842 18.159 19.000 0.001 0.000 0.811 127 A HN 0.394 nan 8.150 nan 0.000 0.451 128 V N -0.066 119.844 119.914 -0.008 0.000 2.427 128 V HA -0.163 3.957 4.120 0.000 0.000 0.248 128 V C 2.500 178.590 176.094 -0.006 0.000 1.051 128 V CA 1.962 64.256 62.300 -0.010 0.000 1.048 128 V CB -0.562 31.248 31.823 -0.020 0.000 0.666 128 V HN 0.513 nan 8.190 nan 0.000 0.456 129 E N 0.006 120.204 120.200 -0.004 0.000 2.072 129 E HA -0.187 4.163 4.350 0.000 0.000 0.190 129 E C 2.153 178.755 176.600 0.002 0.000 0.982 129 E CA 0.851 57.250 56.400 -0.001 0.000 0.803 129 E CB -0.152 29.547 29.700 -0.002 0.000 0.755 129 E HN 0.583 nan 8.360 nan 0.000 0.453 130 E N 0.439 120.641 120.200 0.004 0.000 2.409 130 E HA -0.109 4.242 4.350 0.000 0.000 0.198 130 E C 1.617 178.223 176.600 0.010 0.000 1.024 130 E CA 0.225 56.630 56.400 0.007 0.000 0.861 130 E CB -0.015 29.690 29.700 0.008 0.000 0.788 130 E HN 0.055 nan 8.360 nan 0.000 0.521 131 L N -0.249 120.979 121.223 0.007 0.000 2.357 131 L HA 0.162 4.502 4.340 0.000 0.000 0.211 131 L C 1.620 178.496 176.870 0.009 0.000 1.075 131 L CA 1.007 55.853 54.840 0.009 0.000 0.830 131 L CB 0.072 42.135 42.059 0.006 0.000 0.996 131 L HN -0.098 nan 8.230 nan 0.000 0.467 132 K N -0.564 119.840 120.400 0.006 0.000 2.211 132 K HA -0.028 4.292 4.320 0.000 0.000 0.203 132 K C 1.967 178.573 176.600 0.009 0.000 1.050 132 K CA 1.071 57.362 56.287 0.007 0.000 0.945 132 K CB -0.137 32.366 32.500 0.004 0.000 0.732 132 K HN 0.383 nan 8.250 nan 0.000 0.451 133 A N 1.229 124.055 122.820 0.009 0.000 1.930 133 A HA -0.057 4.263 4.320 0.000 0.000 0.215 133 A C 1.980 179.573 177.584 0.014 0.000 1.176 133 A CA 0.758 52.801 52.037 0.011 0.000 0.632 133 A CB -0.368 18.639 19.000 0.010 0.000 0.819 133 A HN 0.239 nan 8.150 nan 0.000 0.445 134 L N -0.076 121.157 121.223 0.016 0.000 2.376 134 L HA 0.016 4.356 4.340 0.000 0.000 0.219 134 L C 1.238 178.119 176.870 0.019 0.000 1.133 134 L CA 0.401 55.253 54.840 0.020 0.000 0.816 134 L CB -0.055 42.018 42.059 0.023 0.000 0.933 134 L HN 0.357 nan 8.230 nan 0.000 0.449 135 S N 0.122 115.832 115.700 0.016 0.000 2.481 135 S HA 0.096 4.566 4.470 0.000 0.000 0.282 135 S C -0.050 174.558 174.600 0.014 0.000 1.243 135 S CA -0.578 57.630 58.200 0.014 0.000 1.078 135 S CB 0.317 63.525 63.200 0.012 0.000 0.916 135 S HN 0.065 nan 8.310 nan 0.000 0.495 136 V N 9.393 129.316 119.914 0.015 0.000 2.455 136 V HA 0.247 4.368 4.120 0.000 0.000 0.273 136 V C -1.688 174.413 176.094 0.012 0.000 1.045 136 V CA -1.568 60.741 62.300 0.014 0.000 0.976 136 V CB 0.476 32.308 31.823 0.015 0.000 0.993 136 V HN 0.762 nan 8.190 nan 0.000 0.475 137 P HA 0.071 nan 4.420 nan 0.000 0.272 137 P C -0.396 176.909 177.300 0.009 0.000 1.243 137 P CA -0.125 62.981 63.100 0.010 0.000 0.803 137 P CB 0.332 32.038 31.700 0.009 0.000 0.974 138 C N 0.637 119.942 119.300 0.009 0.000 3.212 138 C HA 0.388 4.848 4.460 0.000 0.000 0.367 138 C C 0.772 175.766 174.990 0.007 0.000 0.979 138 C CA 0.055 59.078 59.018 0.008 0.000 1.283 138 C CB -1.235 26.510 27.740 0.008 0.000 1.644 138 C HN 0.533 nan 8.230 nan 0.000 0.575 139 S N 1.307 117.011 115.700 0.006 0.000 2.741 139 S HA 0.149 4.619 4.470 0.000 0.000 0.245 139 S C 0.197 174.799 174.600 0.003 0.000 1.083 139 S CA 0.167 58.370 58.200 0.005 0.000 0.873 139 S CB 0.087 63.290 63.200 0.005 0.000 0.814 139 S HN 0.941 nan 8.310 nan 0.000 0.476 140 D N 2.516 122.918 120.400 0.003 0.000 2.390 140 D HA 0.056 4.696 4.640 0.000 0.000 0.249 140 D C 0.936 177.237 176.300 0.002 0.000 1.144 140 D CA 0.186 54.188 54.000 0.003 0.000 0.880 140 D CB 1.087 41.888 40.800 0.003 0.000 1.182 140 D HN 0.213 nan 8.370 nan 0.000 0.451 141 S N 1.627 117.327 115.700 0.001 0.000 2.559 141 S HA -0.261 4.209 4.470 0.000 0.000 0.250 141 S C 1.393 175.993 174.600 0.000 0.000 0.977 141 S CA 0.848 59.048 58.200 -0.000 0.000 0.958 141 S CB -0.359 62.840 63.200 -0.001 0.000 0.751 141 S HN 0.637 nan 8.310 nan 0.000 0.534 142 K N 0.773 121.173 120.400 0.001 0.000 2.243 142 K HA 0.213 4.534 4.320 0.000 0.000 0.201 142 K C 2.087 178.688 176.600 0.002 0.000 1.051 142 K CA 0.799 57.086 56.287 0.001 0.000 0.970 142 K CB -0.379 32.123 32.500 0.002 0.000 0.755 142 K HN 0.452 nan 8.250 nan 0.000 0.465 143 A N 1.098 123.919 122.820 0.002 0.000 1.911 143 A HA 0.061 4.381 4.320 0.000 0.000 0.212 143 A C 1.957 179.543 177.584 0.003 0.000 1.189 143 A CA 0.434 52.473 52.037 0.003 0.000 0.639 143 A CB -0.346 18.657 19.000 0.004 0.000 0.839 143 A HN 0.232 nan 8.150 nan 0.000 0.449 144 I N 0.294 120.866 120.570 0.002 0.000 2.091 144 I HA -0.354 3.816 4.170 0.000 0.000 0.239 144 I C 2.914 179.031 176.117 0.000 0.000 1.061 144 I CA 1.425 62.725 61.300 0.001 0.000 1.317 144 I CB -0.362 37.638 38.000 -0.001 0.000 1.031 144 I HN 0.351 nan 8.210 nan 0.000 0.401 145 A N -0.313 122.506 122.820 -0.001 0.000 2.131 145 A HA -0.286 4.034 4.320 0.000 0.000 0.220 145 A C 2.152 179.736 177.584 -0.000 0.000 1.158 145 A CA 2.086 54.123 52.037 -0.001 0.000 0.665 145 A CB -0.546 18.453 19.000 -0.002 0.000 0.795 145 A HN 0.551 nan 8.150 nan 0.000 0.460 146 Q N -0.832 118.968 119.800 0.001 0.000 2.165 146 Q HA 0.022 4.362 4.340 0.000 0.000 0.197 146 Q C 1.749 177.750 176.000 0.001 0.000 0.952 146 Q CA 1.514 57.318 55.803 0.001 0.000 0.848 146 Q CB -0.175 28.564 28.738 0.001 0.000 0.931 146 Q HN 0.286 nan 8.270 nan 0.000 0.470 147 V N 0.310 120.226 119.914 0.003 0.000 2.307 147 V HA -0.120 4.000 4.120 0.000 0.000 0.245 147 V C 2.233 178.330 176.094 0.005 0.000 1.045 147 V CA 1.846 64.149 62.300 0.004 0.000 1.024 147 V CB -1.273 30.555 31.823 0.007 0.000 0.651 147 V HN 0.599 nan 8.190 nan 0.000 0.449 148 G N -0.472 108.331 108.800 0.004 0.000 2.450 148 G HA2 -0.259 3.701 3.960 0.000 0.000 0.220 148 G HA3 -0.259 3.701 3.960 0.000 0.000 0.220 148 G C 1.674 176.576 174.900 0.003 0.000 1.130 148 G CA 1.692 46.795 45.100 0.004 0.000 0.760 148 G HN 0.473 nan 8.290 nan 0.000 0.557 149 T N 1.304 115.858 114.554 0.001 0.000 2.668 149 T HA -0.031 4.319 4.350 0.000 0.000 0.262 149 T C 2.407 177.106 174.700 -0.002 0.000 1.045 149 T CA 1.023 63.122 62.100 -0.001 0.000 1.152 149 T CB -0.214 68.653 68.868 -0.002 0.000 0.864 149 T HN 0.259 nan 8.240 nan 0.000 0.419 150 I N 1.241 121.809 120.570 -0.002 0.000 2.315 150 I HA -0.127 4.043 4.170 0.000 0.000 0.251 150 I C 1.418 177.533 176.117 -0.003 0.000 1.125 150 I CA 0.862 62.159 61.300 -0.005 0.000 1.392 150 I CB -0.344 37.653 38.000 -0.005 0.000 1.065 150 I HN 0.066 nan 8.210 nan 0.000 0.424 151 S N 1.227 116.928 115.700 0.002 0.000 3.456 151 S HA 0.487 4.957 4.470 0.000 0.000 0.229 151 S C 0.479 175.082 174.600 0.006 0.000 1.416 151 S CA 0.294 58.497 58.200 0.005 0.000 1.197 151 S CB -0.143 63.065 63.200 0.013 0.000 1.201 151 S HN 0.480 nan 8.310 nan 0.000 0.479 152 A N 1.604 124.424 122.820 0.001 0.000 2.948 152 A HA 0.375 4.695 4.320 0.000 0.000 0.220 152 A C 0.342 177.924 177.584 -0.003 0.000 1.392 152 A CA -0.852 51.185 52.037 0.001 0.000 1.430 152 A CB -0.938 18.064 19.000 0.002 0.000 1.161 152 A HN 0.349 nan 8.150 nan 0.000 0.840 153 N N 0.659 119.356 118.700 -0.006 0.000 2.666 153 N HA -0.216 4.524 4.740 0.000 0.000 0.248 153 N C 0.398 175.903 175.510 -0.009 0.000 1.118 153 N CA 1.710 54.755 53.050 -0.009 0.000 0.722 153 N CB -1.033 37.448 38.487 -0.009 0.000 1.050 153 N HN 1.204 nan 8.380 nan 0.000 0.550 154 S N -1.745 113.950 115.700 -0.008 0.000 3.909 154 S HA -0.190 4.280 4.470 0.000 0.000 0.326 154 S C -0.477 174.119 174.600 -0.006 0.000 1.083 154 S CA 0.570 58.765 58.200 -0.007 0.000 0.939 154 S CB -0.817 62.378 63.200 -0.010 0.000 0.886 154 S HN 0.590 nan 8.310 nan 0.000 0.496 155 D N 1.445 121.842 120.400 -0.004 0.000 2.479 155 D HA 0.201 4.841 4.640 0.000 0.000 0.218 155 D C 1.126 177.424 176.300 -0.003 0.000 1.131 155 D CA -0.354 53.644 54.000 -0.004 0.000 0.916 155 D CB 0.422 41.221 40.800 -0.003 0.000 1.022 155 D HN 0.474 nan 8.370 nan 0.000 0.515 156 E N 1.223 121.421 120.200 -0.003 0.000 2.455 156 E HA -0.122 4.228 4.350 0.000 0.000 0.202 156 E C 1.111 177.709 176.600 -0.003 0.000 1.045 156 E CA 0.799 57.197 56.400 -0.003 0.000 0.872 156 E CB 0.375 30.073 29.700 -0.003 0.000 0.792 156 E HN 0.490 nan 8.360 nan 0.000 0.542 157 T N 0.381 114.933 114.554 -0.003 0.000 2.732 157 T HA -0.101 4.249 4.350 0.000 0.000 0.261 157 T C 2.158 176.856 174.700 -0.003 0.000 1.040 157 T CA 0.895 62.993 62.100 -0.003 0.000 1.145 157 T CB -0.225 68.641 68.868 -0.003 0.000 0.866 157 T HN -0.008 nan 8.240 nan 0.000 0.427 158 V N 1.816 121.728 119.914 -0.003 0.000 2.231 158 V HA -0.205 3.915 4.120 0.000 0.000 0.248 158 V C 2.910 179.002 176.094 -0.003 0.000 1.054 158 V CA 2.196 64.494 62.300 -0.003 0.000 1.015 158 V CB -1.553 30.270 31.823 -0.001 0.000 0.638 158 V HN 0.627 nan 8.190 nan 0.000 0.444 159 G N -0.582 108.216 108.800 -0.002 0.000 2.513 159 G HA2 -0.379 3.581 3.960 0.000 0.000 0.219 159 G HA3 -0.379 3.581 3.960 0.000 0.000 0.219 159 G C 1.652 176.550 174.900 -0.003 0.000 1.160 159 G CA 1.355 46.454 45.100 -0.002 0.000 0.767 159 G HN 0.526 nan 8.290 nan 0.000 0.571 160 K N -0.083 120.315 120.400 -0.004 0.000 2.026 160 K HA 0.066 4.386 4.320 0.000 0.000 0.208 160 K C 2.515 179.112 176.600 -0.005 0.000 1.048 160 K CA 0.857 57.141 56.287 -0.004 0.000 0.929 160 K CB -0.313 32.185 32.500 -0.004 0.000 0.713 160 K HN 0.340 nan 8.250 nan 0.000 0.439 161 L N 1.174 122.393 121.223 -0.006 0.000 1.990 161 L HA -0.248 4.092 4.340 0.000 0.000 0.213 161 L C 2.419 179.284 176.870 -0.010 0.000 1.072 161 L CA 1.449 56.284 54.840 -0.008 0.000 0.755 161 L CB -0.293 41.761 42.059 -0.008 0.000 0.889 161 L HN 0.318 nan 8.230 nan 0.000 0.432 162 I N -0.577 119.987 120.570 -0.010 0.000 2.127 162 I HA -0.356 3.814 4.170 0.000 0.000 0.241 162 I C 2.781 178.890 176.117 -0.012 0.000 1.075 162 I CA 1.366 62.657 61.300 -0.014 0.000 1.334 162 I CB -0.597 37.395 38.000 -0.012 0.000 1.040 162 I HN 0.299 nan 8.210 nan 0.000 0.405 163 A N 0.648 123.463 122.820 -0.009 0.000 1.873 163 A HA -0.271 4.049 4.320 0.000 0.000 0.218 163 A C 2.173 179.753 177.584 -0.007 0.000 1.193 163 A CA 2.061 54.094 52.037 -0.007 0.000 0.629 163 A CB -0.813 18.184 19.000 -0.005 0.000 0.826 163 A HN 0.507 nan 8.150 nan 0.000 0.447 164 E N -0.367 119.828 120.200 -0.007 0.000 2.160 164 E HA -0.152 4.198 4.350 0.000 0.000 0.195 164 E C 2.219 178.813 176.600 -0.009 0.000 0.991 164 E CA 0.924 57.320 56.400 -0.007 0.000 0.810 164 E CB -0.287 29.409 29.700 -0.007 0.000 0.742 164 E HN 0.667 nan 8.360 nan 0.000 0.466 165 A N 1.282 124.095 122.820 -0.011 0.000 1.843 165 A HA -0.105 4.215 4.320 0.000 0.000 0.213 165 A C 2.168 179.744 177.584 -0.013 0.000 1.202 165 A CA 0.923 52.952 52.037 -0.014 0.000 0.607 165 A CB -0.411 18.578 19.000 -0.018 0.000 0.847 165 A HN 0.088 nan 8.150 nan 0.000 0.445 166 M N -0.349 119.243 119.600 -0.014 0.000 2.260 166 M HA -0.207 4.273 4.480 0.000 0.000 0.261 166 M C 1.712 178.006 176.300 -0.009 0.000 1.066 166 M CA 1.998 57.291 55.300 -0.013 0.000 1.082 166 M CB -0.626 31.967 32.600 -0.011 0.000 1.388 166 M HN 0.586 nan 8.290 nan 0.000 0.419 167 D N 0.473 120.868 120.400 -0.008 0.000 2.183 167 D HA -0.107 4.533 4.640 0.000 0.000 0.203 167 D C 1.827 178.124 176.300 -0.006 0.000 0.969 167 D CA 1.202 55.198 54.000 -0.006 0.000 0.842 167 D CB 0.194 40.991 40.800 -0.005 0.000 0.957 167 D HN 0.228 nan 8.370 nan 0.000 0.484 168 K N -0.607 119.788 120.400 -0.007 0.000 2.186 168 K HA 0.011 4.331 4.320 0.000 0.000 0.202 168 K C 1.632 178.227 176.600 -0.007 0.000 1.052 168 K CA 1.140 57.423 56.287 -0.007 0.000 0.965 168 K CB 0.591 33.086 32.500 -0.008 0.000 0.746 168 K HN 0.211 nan 8.250 nan 0.000 0.457 169 V N -3.356 116.553 119.914 -0.009 0.000 3.477 169 V HA 0.392 4.512 4.120 0.000 0.000 0.297 169 V C 0.465 176.555 176.094 -0.008 0.000 1.433 169 V CA -0.057 62.238 62.300 -0.008 0.000 1.052 169 V CB 0.025 31.841 31.823 -0.011 0.000 0.895 169 V HN 0.295 nan 8.190 nan 0.000 0.438 170 G N 1.255 110.051 108.800 -0.007 0.000 2.699 170 G HA2 -0.172 3.788 3.960 0.000 0.000 0.686 170 G HA3 -0.172 3.788 3.960 0.000 0.000 0.686 170 G C 0.017 174.913 174.900 -0.007 0.000 1.301 170 G CA -0.005 45.092 45.100 -0.006 0.000 0.816 170 G HN 0.276 nan 8.290 nan 0.000 0.595 171 K N 0.043 120.440 120.400 -0.005 0.000 2.209 171 K HA -0.060 4.260 4.320 0.000 0.000 0.204 171 K C 1.660 178.256 176.600 -0.006 0.000 1.048 171 K CA 1.635 57.919 56.287 -0.005 0.000 0.940 171 K CB 0.023 32.522 32.500 -0.002 0.000 0.729 171 K HN 0.496 nan 8.250 nan 0.000 0.451 172 E N 0.338 120.536 120.200 -0.004 0.000 2.474 172 E HA 0.050 4.400 4.350 0.000 0.000 0.195 172 E C 1.053 177.649 176.600 -0.007 0.000 1.039 172 E CA 0.035 56.433 56.400 -0.003 0.000 0.881 172 E CB 0.198 29.899 29.700 0.001 0.000 0.970 172 E HN 0.278 nan 8.360 nan 0.000 0.486 173 G N 1.151 109.945 108.800 -0.010 0.000 2.527 173 G HA2 0.207 4.167 3.960 0.000 0.000 0.279 173 G HA3 0.207 4.167 3.960 0.000 0.000 0.279 173 G C 0.023 174.911 174.900 -0.019 0.000 1.374 173 G CA -0.267 44.826 45.100 -0.012 0.000 1.053 173 G HN 0.029 nan 8.290 nan 0.000 0.539 174 V N -0.102 119.799 119.914 -0.021 0.000 2.407 174 V HA 0.487 4.607 4.120 0.000 0.000 0.291 174 V C -0.263 175.809 176.094 -0.036 0.000 1.018 174 V CA -0.523 61.759 62.300 -0.031 0.000 0.842 174 V CB 1.183 32.991 31.823 -0.025 0.000 0.996 174 V HN 0.510 nan 8.190 nan 0.000 0.426 175 I N 3.475 124.015 120.570 -0.050 0.000 2.406 175 I HA 0.563 4.733 4.170 0.000 0.000 0.290 175 I C 0.082 176.164 176.117 -0.059 0.000 0.999 175 I CA -0.113 61.157 61.300 -0.051 0.000 1.124 175 I CB 2.146 40.113 38.000 -0.055 0.000 1.289 175 I HN 0.554 nan 8.210 nan 0.000 0.441 176 T N 5.330 119.857 114.554 -0.045 0.000 2.856 176 T HA 0.558 4.908 4.350 0.000 0.000 0.283 176 T C -0.364 174.316 174.700 -0.034 0.000 1.008 176 T CA -0.513 61.562 62.100 -0.042 0.000 0.997 176 T CB 2.314 71.162 68.868 -0.034 0.000 0.992 176 T HN 0.184 nan 8.240 nan 0.000 0.454 177 V N 3.296 123.192 119.914 -0.030 0.000 2.448 177 V HA 0.508 4.628 4.120 0.000 0.000 0.295 177 V C -0.071 176.014 176.094 -0.014 0.000 1.025 177 V CA -0.703 61.584 62.300 -0.021 0.000 0.859 177 V CB 1.571 33.383 31.823 -0.018 0.000 0.988 177 V HN 0.871 nan 8.190 nan 0.000 0.431 178 E N 1.905 122.098 120.200 -0.012 0.000 2.428 178 E HA 0.449 4.799 4.350 0.000 0.000 0.259 178 E C -1.426 175.170 176.600 -0.008 0.000 0.930 178 E CA -1.075 55.319 56.400 -0.010 0.000 0.823 178 E CB 1.549 31.242 29.700 -0.012 0.000 1.403 178 E HN 0.567 nan 8.360 nan 0.000 0.415 179 D N 0.519 120.915 120.400 -0.007 0.000 2.341 179 D HA 0.249 4.889 4.640 0.000 0.000 0.245 179 D C -0.036 176.260 176.300 -0.006 0.000 1.106 179 D CA 0.107 54.104 54.000 -0.005 0.000 0.905 179 D CB 1.284 42.081 40.800 -0.005 0.000 1.202 179 D HN 0.467 nan 8.370 nan 0.000 0.426 180 G N -0.660 108.137 108.800 -0.006 0.000 2.504 180 G HA2 0.310 4.270 3.960 0.000 0.000 0.288 180 G HA3 0.310 4.270 3.960 0.000 0.000 0.288 180 G C 0.690 175.587 174.900 -0.006 0.000 1.182 180 G CA -0.504 44.593 45.100 -0.006 0.000 0.894 180 G HN 0.417 nan 8.290 nan 0.000 0.521 181 T N -2.253 112.297 114.554 -0.006 0.000 3.312 181 T HA 0.537 4.887 4.350 0.000 0.000 0.251 181 T C 1.010 175.707 174.700 -0.005 0.000 1.012 181 T CA 0.513 62.610 62.100 -0.006 0.000 0.925 181 T CB -0.379 68.486 68.868 -0.006 0.000 1.049 181 T HN 1.895 nan 8.240 nan 0.000 0.583 182 G N 0.864 109.662 108.800 -0.004 0.000 2.278 182 G HA2 0.164 4.124 3.960 0.000 0.000 0.265 182 G HA3 0.164 4.124 3.960 0.000 0.000 0.265 182 G C -1.454 173.444 174.900 -0.004 0.000 1.329 182 G CA -0.625 44.472 45.100 -0.004 0.000 1.017 182 G HN 0.392 nan 8.290 nan 0.000 0.472 183 L N 0.884 122.105 121.223 -0.003 0.000 2.452 183 L HA 0.623 4.963 4.340 0.000 0.000 0.267 183 L C 0.356 177.224 176.870 -0.003 0.000 1.188 183 L CA 0.710 55.548 54.840 -0.003 0.000 0.821 183 L CB 0.412 42.469 42.059 -0.003 0.000 1.102 183 L HN 1.026 nan 8.230 nan 0.000 0.470 184 Q N 2.113 121.911 119.800 -0.004 0.000 3.215 184 Q HA -0.090 4.250 4.340 0.000 0.000 0.034 184 Q C -1.469 174.529 176.000 -0.004 0.000 1.698 184 Q CA 0.257 56.058 55.803 -0.004 0.000 0.248 184 Q CB -0.243 28.493 28.738 -0.004 0.000 0.583 184 Q HN 0.655 nan 8.270 nan 0.000 0.322 185 D N 2.534 122.931 120.400 -0.005 0.000 2.253 185 D HA 0.357 4.997 4.640 0.000 0.000 0.249 185 D C -0.201 176.096 176.300 -0.006 0.000 1.049 185 D CA -0.151 53.846 54.000 -0.006 0.000 0.929 185 D CB 1.070 41.866 40.800 -0.006 0.000 1.176 185 D HN 0.319 nan 8.370 nan 0.000 0.437 186 E N 0.105 120.301 120.200 -0.007 0.000 2.288 186 E HA 0.589 4.939 4.350 0.000 0.000 0.268 186 E C -1.144 175.451 176.600 -0.008 0.000 0.885 186 E CA -0.939 55.456 56.400 -0.007 0.000 0.767 186 E CB 2.683 32.378 29.700 -0.007 0.000 1.220 186 E HN 0.123 nan 8.360 nan 0.000 0.427 187 L N 2.515 123.733 121.223 -0.008 0.000 2.482 187 L HA 0.559 4.899 4.340 0.000 0.000 0.263 187 L C -2.210 174.654 176.870 -0.009 0.000 0.957 187 L CA -0.224 54.611 54.840 -0.010 0.000 0.836 187 L CB 2.006 44.059 42.059 -0.010 0.000 1.324 187 L HN 0.686 nan 8.230 nan 0.000 0.406 188 D N 2.885 123.279 120.400 -0.010 0.000 2.783 188 D HA 0.296 4.936 4.640 0.000 0.000 0.253 188 D C -1.600 174.694 176.300 -0.010 0.000 1.206 188 D CA -0.413 53.582 54.000 -0.009 0.000 0.740 188 D CB 1.526 42.321 40.800 -0.008 0.000 1.313 188 D HN 0.390 nan 8.370 nan 0.000 0.427 189 V N 0.153 120.062 119.914 -0.009 0.000 2.481 189 V HA 0.629 4.749 4.120 0.000 0.000 0.286 189 V C 0.525 176.615 176.094 -0.007 0.000 1.042 189 V CA -0.627 61.668 62.300 -0.008 0.000 0.928 189 V CB 1.255 33.074 31.823 -0.007 0.000 0.986 189 V HN 0.619 nan 8.190 nan 0.000 0.462 190 V N 0.776 120.686 119.914 -0.007 0.000 2.962 190 V HA 0.637 4.757 4.120 0.000 0.000 0.313 190 V C -0.290 175.802 176.094 -0.002 0.000 1.099 190 V CA -1.058 61.239 62.300 -0.005 0.000 0.971 190 V CB 2.080 33.898 31.823 -0.007 0.000 1.028 190 V HN 0.713 nan 8.190 nan 0.000 0.430 191 E N 2.346 122.545 120.200 -0.000 0.000 2.406 191 E HA 0.440 4.790 4.350 0.000 0.000 0.247 191 E C 0.350 176.955 176.600 0.008 0.000 1.160 191 E CA 0.889 57.292 56.400 0.004 0.000 0.950 191 E CB 0.537 30.240 29.700 0.005 0.000 0.993 191 E HN 1.103 nan 8.360 nan 0.000 0.472 192 G N 1.625 110.432 108.800 0.010 0.000 2.827 192 G HA2 0.730 4.690 3.960 0.000 0.000 0.296 192 G HA3 0.730 4.690 3.960 0.000 0.000 0.296 192 G C -0.998 173.919 174.900 0.028 0.000 1.362 192 G CA -0.596 44.513 45.100 0.016 0.000 0.809 192 G HN 0.395 nan 8.290 nan 0.000 0.522 193 M N -0.588 119.035 119.600 0.039 0.000 2.732 193 M HA 0.579 5.059 4.480 0.000 0.000 0.272 193 M C -2.400 173.932 176.300 0.053 0.000 1.203 193 M CA -0.686 54.654 55.300 0.066 0.000 0.841 193 M CB 2.474 35.143 32.600 0.115 0.000 1.685 193 M HN 0.700 nan 8.290 nan 0.000 0.492 194 Q N 2.953 122.795 119.800 0.070 0.000 2.280 194 Q HA 0.522 4.862 4.340 0.000 0.000 0.259 194 Q C -2.290 173.748 176.000 0.063 0.000 0.964 194 Q CA -0.631 55.153 55.803 -0.031 0.000 0.844 194 Q CB 1.620 30.316 28.738 -0.070 0.000 1.334 194 Q HN 0.591 nan 8.270 nan 0.000 0.423 195 F N 0.161 120.109 119.950 -0.004 0.000 2.575 195 F HA 0.582 5.109 4.527 0.000 0.000 0.330 195 F C -0.140 175.658 175.800 -0.003 0.000 1.056 195 F CA -1.229 56.771 58.000 -0.001 0.000 0.964 195 F CB 0.923 39.923 39.000 0.001 0.000 1.258 195 F HN 0.294 nan 8.300 nan 0.000 0.484 196 D N 2.585 123.102 120.400 0.194 0.000 2.713 196 D HA 0.162 4.802 4.640 0.000 0.000 0.229 196 D C -0.221 176.143 176.300 0.106 0.000 1.136 196 D CA 0.183 54.235 54.000 0.086 0.000 1.010 196 D CB -0.015 40.830 40.800 0.074 0.000 1.084 196 D HN 0.250 nan 8.370 nan 0.000 0.495 197 R N 0.241 120.793 120.500 0.086 0.000 2.575 197 R HA 0.552 4.892 4.340 0.000 0.000 0.293 197 R C 0.342 176.615 176.300 -0.046 0.000 0.983 197 R CA -0.732 55.423 56.100 0.092 0.000 0.887 197 R CB 2.262 32.739 30.300 0.295 0.000 1.184 197 R HN 0.195 nan 8.270 nan 0.000 0.445 198 G N 1.045 109.784 108.800 -0.103 0.000 2.531 198 G HA2 0.422 4.382 3.960 0.000 0.000 0.313 198 G HA3 0.422 4.382 3.960 0.000 0.000 0.313 198 G C -0.674 174.115 174.900 -0.184 0.000 1.238 198 G CA -0.544 44.402 45.100 -0.257 0.000 0.994 198 G HN 0.458 nan 8.290 nan 0.000 0.493 199 Y N -1.203 119.104 120.300 0.012 0.000 2.578 199 Y HA 0.299 4.849 4.550 0.000 0.000 0.339 199 Y C 1.159 177.102 175.900 0.072 0.000 1.231 199 Y CA -1.077 57.032 58.100 0.015 0.000 1.461 199 Y CB 0.450 38.954 38.460 0.072 0.000 1.323 199 Y HN 0.167 nan 8.280 nan 0.000 0.590 200 L N 2.176 123.562 121.223 0.272 0.000 2.675 200 L HA 0.113 4.453 4.340 0.000 0.000 0.239 200 L C 0.446 177.566 176.870 0.416 0.000 1.151 200 L CA 0.731 55.732 54.840 0.269 0.000 0.905 200 L CB -0.571 41.604 42.059 0.193 0.000 1.057 200 L HN 0.851 nan 8.230 nan 0.000 0.435 201 S N -2.087 113.980 115.700 0.612 0.000 2.756 201 S HA 0.230 4.700 4.470 0.000 0.000 0.295 201 S C -2.636 172.154 174.600 0.316 0.000 0.945 201 S CA -0.932 57.550 58.200 0.470 0.000 0.838 201 S CB 1.063 64.490 63.200 0.378 0.000 1.042 201 S HN -0.207 nan 8.310 nan 0.000 0.467 202 P HA 0.342 nan 4.420 nan 0.000 0.335 202 P C 0.323 177.458 177.300 -0.276 0.000 1.416 202 P CA 0.673 63.501 63.100 -0.453 0.000 0.828 202 P CB -0.020 31.381 31.700 -0.498 0.000 1.966 203 Y N -4.617 115.541 120.300 -0.236 0.000 2.742 203 Y HA -0.334 4.216 4.550 0.000 0.000 0.485 203 Y C 1.989 177.759 175.900 -0.217 0.000 1.119 203 Y CA 1.696 59.648 58.100 -0.246 0.000 2.917 203 Y CB -3.047 35.209 38.460 -0.340 0.000 0.951 203 Y HN 0.088 nan 8.280 nan 0.000 0.562 204 F N 0.721 120.684 119.950 0.022 0.000 2.184 204 F HA -0.172 4.355 4.527 0.000 0.000 0.301 204 F C 1.552 177.313 175.800 -0.065 0.000 1.076 204 F CA 1.345 59.337 58.000 -0.014 0.000 1.295 204 F CB -0.820 38.170 39.000 -0.016 0.000 1.026 204 F HN 0.012 nan 8.300 nan 0.000 0.494 205 I N 1.916 122.493 120.570 0.011 0.000 3.017 205 I HA -0.217 3.953 4.170 0.000 0.000 0.310 205 I C 0.606 176.720 176.117 -0.005 0.000 1.220 205 I CA 0.818 62.083 61.300 -0.059 0.000 1.450 205 I CB -0.008 37.887 38.000 -0.175 0.000 1.317 205 I HN 0.256 nan 8.210 nan 0.000 0.570 206 N N 2.733 121.436 118.700 0.006 0.000 2.036 206 N HA 0.073 4.813 4.740 0.000 0.000 0.228 206 N C -0.255 175.258 175.510 0.006 0.000 1.368 206 N CA -0.324 52.733 53.050 0.012 0.000 0.846 206 N CB 0.524 39.028 38.487 0.029 0.000 1.145 206 N HN 0.391 nan 8.380 nan 0.000 0.502 207 K N 1.320 121.720 120.400 0.001 0.000 3.206 207 K HA 0.298 4.618 4.320 0.000 0.000 0.180 207 K C -2.081 174.517 176.600 -0.004 0.000 1.088 207 K CA -1.304 54.985 56.287 0.003 0.000 0.872 207 K CB 1.741 34.247 32.500 0.010 0.000 0.976 207 K HN 0.064 nan 8.250 nan 0.000 0.564 208 P HA -0.180 nan 4.420 nan 0.000 0.225 208 P C 0.408 177.700 177.300 -0.013 0.000 1.141 208 P CA 1.151 64.237 63.100 -0.022 0.000 0.774 208 P CB 0.483 32.167 31.700 -0.028 0.000 0.760 209 E N -0.172 120.025 120.200 -0.005 0.000 2.204 209 E HA -0.095 4.255 4.350 0.000 0.000 0.194 209 E C 1.806 178.407 176.600 0.001 0.000 0.989 209 E CA 1.964 58.363 56.400 -0.002 0.000 0.824 209 E CB -0.887 28.814 29.700 0.002 0.000 0.756 209 E HN 0.463 nan 8.360 nan 0.000 0.477 210 T N -5.092 109.467 114.554 0.008 0.000 2.975 210 T HA 0.367 4.717 4.350 0.000 0.000 0.261 210 T C 1.303 176.018 174.700 0.025 0.000 0.984 210 T CA 0.009 62.120 62.100 0.018 0.000 0.911 210 T CB 0.714 69.603 68.868 0.036 0.000 1.127 210 T HN 0.196 nan 8.240 nan 0.000 0.514 211 G N 1.365 110.174 108.800 0.015 0.000 2.289 211 G HA2 0.236 4.196 3.960 0.000 0.000 0.280 211 G HA3 0.236 4.196 3.960 0.000 0.000 0.280 211 G C 0.057 174.995 174.900 0.062 0.000 1.089 211 G CA -0.056 45.054 45.100 0.017 0.000 0.939 211 G HN 1.271 nan 8.290 nan 0.000 0.499 212 A N -1.343 121.503 122.820 0.045 0.000 2.569 212 A HA 0.961 5.281 4.320 0.000 0.000 0.290 212 A C 0.110 177.721 177.584 0.044 0.000 1.136 212 A CA -0.087 52.000 52.037 0.083 0.000 0.710 212 A CB 1.663 20.715 19.000 0.087 0.000 1.303 212 A HN 1.276 nan 8.150 nan 0.000 0.413 213 V N 0.050 120.005 119.914 0.069 0.000 3.262 213 V HA 0.704 4.824 4.120 0.000 0.000 0.313 213 V C 0.161 176.276 176.094 0.034 0.000 1.070 213 V CA -0.256 62.075 62.300 0.051 0.000 1.049 213 V CB 1.517 33.378 31.823 0.064 0.000 1.157 213 V HN 0.966 nan 8.190 nan 0.000 0.454 214 E N 0.704 120.920 120.200 0.026 0.000 2.647 214 E HA 0.455 4.805 4.350 0.000 0.000 0.320 214 E C -2.160 174.447 176.600 0.011 0.000 0.951 214 E CA -0.446 55.961 56.400 0.013 0.000 0.809 214 E CB 1.243 30.950 29.700 0.011 0.000 1.295 214 E HN 0.581 nan 8.360 nan 0.000 0.407 215 L N 2.924 124.147 121.223 0.000 0.000 2.386 215 L HA 0.544 4.884 4.340 0.000 0.000 0.271 215 L C -0.368 176.491 176.870 -0.019 0.000 0.993 215 L CA -0.933 53.905 54.840 -0.003 0.000 0.819 215 L CB 2.127 44.186 42.059 0.000 0.000 1.294 215 L HN 0.478 nan 8.230 nan 0.000 0.414 216 E N 1.142 121.327 120.200 -0.024 0.000 2.174 216 E HA 0.231 4.581 4.350 0.000 0.000 0.282 216 E C -0.086 176.473 176.600 -0.069 0.000 0.992 216 E CA -0.373 56.004 56.400 -0.038 0.000 0.803 216 E CB 1.311 30.994 29.700 -0.029 0.000 1.090 216 E HN 0.629 nan 8.360 nan 0.000 0.396 217 S N 2.366 118.015 115.700 -0.085 0.000 3.491 217 S HA -0.137 4.333 4.470 0.000 0.000 0.371 217 S C -1.991 172.474 174.600 -0.225 0.000 0.980 217 S CA 0.329 58.446 58.200 -0.139 0.000 1.204 217 S CB -1.314 61.805 63.200 -0.135 0.000 0.915 217 S HN 0.518 nan 8.310 nan 0.000 0.482 218 P HA 0.415 nan 4.420 nan 0.000 0.277 218 P C -0.090 177.064 177.300 -0.245 0.000 1.276 218 P CA -0.460 62.541 63.100 -0.165 0.000 0.788 218 P CB 0.480 32.156 31.700 -0.040 0.000 1.114 219 F N -0.756 119.202 119.950 0.012 0.000 2.458 219 F HA 0.471 4.998 4.527 0.000 0.000 0.330 219 F C 0.615 176.424 175.800 0.014 0.000 1.082 219 F CA -0.610 57.398 58.000 0.013 0.000 0.995 219 F CB 0.998 40.005 39.000 0.012 0.000 1.170 219 F HN 0.025 nan 8.300 nan 0.000 0.478 220 I N 4.531 125.255 120.570 0.257 0.000 2.418 220 I HA 0.277 4.447 4.170 0.000 0.000 0.287 220 I C -1.244 174.939 176.117 0.110 0.000 1.008 220 I CA -0.958 60.429 61.300 0.145 0.000 1.104 220 I CB 1.749 39.816 38.000 0.112 0.000 1.264 220 I HN 0.237 nan 8.210 nan 0.000 0.438 221 L N 8.259 129.527 121.223 0.075 0.000 2.255 221 L HA 0.465 4.805 4.340 0.000 0.000 0.289 221 L C -0.863 176.023 176.870 0.027 0.000 1.046 221 L CA -0.041 54.822 54.840 0.038 0.000 0.816 221 L CB 0.623 42.697 42.059 0.024 0.000 1.197 221 L HN 0.475 nan 8.230 nan 0.000 0.427 222 L N 6.405 127.638 121.223 0.015 0.000 2.283 222 L HA 0.709 5.049 4.340 0.000 0.000 0.281 222 L C -0.125 176.741 176.870 -0.007 0.000 1.033 222 L CA -0.428 54.412 54.840 0.001 0.000 0.848 222 L CB 1.003 43.059 42.059 -0.005 0.000 1.226 222 L HN 0.793 nan 8.230 nan 0.000 0.429 223 A N 1.919 124.735 122.820 -0.007 0.000 2.335 223 A HA 0.400 4.720 4.320 0.000 0.000 0.304 223 A C -0.796 176.783 177.584 -0.008 0.000 1.118 223 A CA -0.588 51.446 52.037 -0.007 0.000 0.757 223 A CB 1.202 20.201 19.000 -0.001 0.000 1.188 223 A HN 0.643 nan 8.150 nan 0.000 0.460 224 D N 2.786 123.179 120.400 -0.011 0.000 2.435 224 D HA 0.456 5.096 4.640 0.000 0.000 0.230 224 D C -0.064 176.235 176.300 -0.003 0.000 1.215 224 D CA 0.405 54.399 54.000 -0.011 0.000 0.947 224 D CB -0.435 40.356 40.800 -0.016 0.000 1.048 224 D HN 0.630 nan 8.370 nan 0.000 0.512 225 K N 0.615 121.017 120.400 0.003 0.000 3.076 225 K HA 0.201 4.521 4.320 0.000 0.000 0.314 225 K C -1.228 175.381 176.600 0.015 0.000 1.113 225 K CA -1.160 55.132 56.287 0.009 0.000 0.860 225 K CB 0.368 32.872 32.500 0.007 0.000 1.435 225 K HN -0.050 nan 8.250 nan 0.000 0.374 226 K N 0.814 121.225 120.400 0.018 0.000 2.118 226 K HA 0.529 4.849 4.320 0.000 0.000 0.264 226 K C -0.528 176.086 176.600 0.022 0.000 1.000 226 K CA -0.593 55.708 56.287 0.023 0.000 0.929 226 K CB 0.763 33.278 32.500 0.025 0.000 1.021 226 K HN 0.413 nan 8.250 nan 0.000 0.463 227 I N 1.389 121.976 120.570 0.028 0.000 2.500 227 I HA 0.072 4.242 4.170 0.000 0.000 0.286 227 I C -0.152 175.985 176.117 0.033 0.000 1.063 227 I CA -0.122 61.194 61.300 0.028 0.000 1.062 227 I CB 2.066 40.083 38.000 0.029 0.000 1.223 227 I HN 0.591 nan 8.210 nan 0.000 0.435 228 S N 3.304 119.021 115.700 0.028 0.000 2.687 228 S HA 0.272 4.742 4.470 0.000 0.000 0.247 228 S C 0.243 174.858 174.600 0.025 0.000 1.050 228 S CA -0.299 57.918 58.200 0.030 0.000 1.063 228 S CB 0.250 63.465 63.200 0.026 0.000 1.039 228 S HN 0.557 nan 8.310 nan 0.000 0.580 229 N N 1.699 120.411 118.700 0.021 0.000 2.483 229 N HA 0.360 5.100 4.740 0.000 0.000 0.267 229 N C 0.304 175.824 175.510 0.017 0.000 0.998 229 N CA -0.206 52.854 53.050 0.017 0.000 0.918 229 N CB 1.741 40.236 38.487 0.013 0.000 1.215 229 N HN 0.122 nan 8.380 nan 0.000 0.500 230 I N 2.093 122.674 120.570 0.018 0.000 2.530 230 I HA -0.229 3.941 4.170 0.000 0.000 0.257 230 I C 2.267 178.391 176.117 0.012 0.000 1.179 230 I CA 1.186 62.496 61.300 0.018 0.000 1.440 230 I CB 0.192 38.203 38.000 0.018 0.000 1.087 230 I HN 0.449 nan 8.210 nan 0.000 0.440 231 R N 1.116 121.622 120.500 0.009 0.000 2.316 231 R HA -0.192 4.148 4.340 0.000 0.000 0.232 231 R C 1.356 177.658 176.300 0.003 0.000 1.137 231 R CA 1.594 57.697 56.100 0.005 0.000 1.012 231 R CB -0.112 30.190 30.300 0.004 0.000 0.859 231 R HN 0.569 nan 8.270 nan 0.000 0.474 232 E N -0.995 119.209 120.200 0.005 0.000 2.476 232 E HA 0.014 4.364 4.350 0.000 0.000 0.199 232 E C 1.353 177.953 176.600 0.001 0.000 1.021 232 E CA -0.017 56.384 56.400 0.002 0.000 0.907 232 E CB 0.406 30.109 29.700 0.004 0.000 0.974 232 E HN 0.281 nan 8.360 nan 0.000 0.489 233 M N 0.116 119.719 119.600 0.004 0.000 2.552 233 M HA 0.087 4.567 4.480 0.000 0.000 0.264 233 M C 2.168 178.466 176.300 -0.003 0.000 1.159 233 M CA 0.692 55.993 55.300 0.003 0.000 1.176 233 M CB -0.608 32.000 32.600 0.013 0.000 1.327 233 M HN 0.125 nan 8.290 nan 0.000 0.481 234 L N 1.097 122.320 121.223 -0.000 0.000 2.040 234 L HA -0.276 4.064 4.340 0.000 0.000 0.228 234 L C -0.167 176.697 176.870 -0.010 0.000 1.092 234 L CA 2.122 56.960 54.840 -0.003 0.000 0.805 234 L CB -2.802 39.256 42.059 -0.002 0.000 0.905 234 L HN 0.190 nan 8.230 nan 0.000 0.443 235 P HA -0.143 nan 4.420 nan 0.000 0.214 235 P C 1.239 178.520 177.300 -0.031 0.000 1.163 235 P CA 1.745 64.833 63.100 -0.020 0.000 0.889 235 P CB -0.034 31.654 31.700 -0.019 0.000 0.790 236 V N -0.095 119.797 119.914 -0.036 0.000 3.110 236 V HA 0.180 4.300 4.120 0.000 0.000 0.368 236 V C 1.820 177.882 176.094 -0.052 0.000 1.332 236 V CA 0.240 62.506 62.300 -0.058 0.000 1.287 236 V CB -0.304 31.480 31.823 -0.065 0.000 1.277 236 V HN 0.052 nan 8.190 nan 0.000 0.502 237 L N -1.134 120.071 121.223 -0.030 0.000 2.713 237 L HA 0.319 4.659 4.340 0.000 0.000 0.223 237 L C 2.127 178.994 176.870 -0.004 0.000 1.040 237 L CA 0.655 55.489 54.840 -0.011 0.000 0.894 237 L CB 0.699 42.762 42.059 0.006 0.000 1.361 237 L HN 0.193 nan 8.230 nan 0.000 0.490 238 E N 0.563 120.759 120.200 -0.007 0.000 2.274 238 E HA -0.056 4.294 4.350 0.000 0.000 0.194 238 E C 1.785 178.381 176.600 -0.007 0.000 0.996 238 E CA 0.811 57.210 56.400 -0.001 0.000 0.840 238 E CB 0.069 29.768 29.700 -0.002 0.000 0.772 238 E HN 0.546 nan 8.360 nan 0.000 0.491 239 A N 0.727 123.532 122.820 -0.026 0.000 2.239 239 A HA -0.009 4.311 4.320 0.000 0.000 0.209 239 A C 1.970 179.526 177.584 -0.047 0.000 1.171 239 A CA 0.556 52.569 52.037 -0.040 0.000 0.768 239 A CB 0.154 19.114 19.000 -0.066 0.000 0.790 239 A HN 0.089 nan 8.150 nan 0.000 0.478 240 V N -1.567 118.331 119.914 -0.027 0.000 3.661 240 V HA 0.105 4.225 4.120 0.000 0.000 0.271 240 V C 2.483 178.618 176.094 0.067 0.000 1.315 240 V CA 0.851 63.160 62.300 0.015 0.000 1.072 240 V CB 0.026 31.856 31.823 0.012 0.000 0.830 240 V HN 0.506 nan 8.190 nan 0.000 0.443 241 A N -0.046 122.798 122.820 0.041 0.000 2.014 241 A HA -0.019 4.301 4.320 0.000 0.000 0.218 241 A C 1.351 178.964 177.584 0.048 0.000 1.163 241 A CA 0.901 52.965 52.037 0.044 0.000 0.652 241 A CB -0.132 18.885 19.000 0.028 0.000 0.808 241 A HN 0.486 nan 8.150 nan 0.000 0.449 242 K N -1.854 118.572 120.400 0.044 0.000 2.168 242 K HA 0.444 4.765 4.320 0.000 0.000 0.258 242 K C 0.982 177.631 176.600 0.081 0.000 1.010 242 K CA 0.329 56.644 56.287 0.047 0.000 0.929 242 K CB 0.581 33.099 32.500 0.031 0.000 0.998 242 K HN 0.592 nan 8.250 nan 0.000 0.479 243 A N 1.317 124.184 122.820 0.079 0.000 4.159 243 A HA -0.251 4.069 4.320 0.000 0.000 0.263 243 A C 1.436 179.076 177.584 0.092 0.000 0.889 243 A CA 1.881 53.981 52.037 0.105 0.000 1.227 243 A CB -2.420 16.696 19.000 0.194 0.000 1.051 243 A HN 1.383 nan 8.150 nan 0.000 0.820 244 G N -1.193 107.659 108.800 0.087 0.000 2.216 244 G HA2 -0.400 3.560 3.960 0.000 0.000 0.269 244 G HA3 -0.400 3.560 3.960 0.000 0.000 0.269 244 G C 0.162 175.107 174.900 0.074 0.000 0.981 244 G CA 1.510 46.651 45.100 0.068 0.000 0.658 244 G HN 1.259 nan 8.290 nan 0.000 0.539 245 K N 2.175 122.640 120.400 0.108 0.000 2.382 245 K HA 0.231 4.551 4.320 0.000 0.000 0.286 245 K C -1.780 174.898 176.600 0.130 0.000 1.062 245 K CA -0.952 55.369 56.287 0.057 0.000 1.000 245 K CB 0.701 33.160 32.500 -0.068 0.000 0.954 245 K HN 0.262 nan 8.250 nan 0.000 0.470 246 P HA -0.085 nan 4.420 nan 0.000 0.269 246 P C -0.790 176.590 177.300 0.134 0.000 1.211 246 P CA -0.257 62.895 63.100 0.086 0.000 0.781 246 P CB 0.578 32.305 31.700 0.045 0.000 0.877 247 L N 2.372 123.673 121.223 0.131 0.000 2.386 247 L HA 0.555 4.895 4.340 0.000 0.000 0.271 247 L C -1.323 175.596 176.870 0.082 0.000 0.993 247 L CA -1.003 53.927 54.840 0.150 0.000 0.819 247 L CB 1.564 43.709 42.059 0.144 0.000 1.294 247 L HN 0.181 nan 8.230 nan 0.000 0.414 248 L N 5.952 127.225 121.223 0.083 0.000 2.305 248 L HA 0.628 4.968 4.340 0.000 0.000 0.284 248 L C -1.137 175.761 176.870 0.046 0.000 1.013 248 L CA -0.199 54.664 54.840 0.039 0.000 0.819 248 L CB 1.155 43.242 42.059 0.047 0.000 1.227 248 L HN 0.440 nan 8.230 nan 0.000 0.417 249 I N 6.749 127.329 120.570 0.016 0.000 2.354 249 I HA 0.356 4.526 4.170 0.000 0.000 0.292 249 I C -0.214 175.920 176.117 0.028 0.000 0.989 249 I CA -0.324 60.990 61.300 0.024 0.000 1.188 249 I CB 1.315 39.326 38.000 0.018 0.000 1.342 249 I HN 0.555 nan 8.210 nan 0.000 0.457 250 I N 5.553 126.143 120.570 0.033 0.000 2.420 250 I HA 0.610 4.780 4.170 0.000 0.000 0.282 250 I C -0.023 176.098 176.117 0.006 0.000 1.019 250 I CA -0.223 61.094 61.300 0.029 0.000 1.130 250 I CB 1.697 39.712 38.000 0.025 0.000 1.262 250 I HN 0.723 nan 8.210 nan 0.000 0.454 251 A N 4.453 127.280 122.820 0.010 0.000 2.569 251 A HA 0.403 4.723 4.320 0.000 0.000 0.290 251 A C 0.720 178.310 177.584 0.010 0.000 1.136 251 A CA -0.565 51.476 52.037 0.007 0.000 0.710 251 A CB 1.489 20.498 19.000 0.015 0.000 1.303 251 A HN 0.754 nan 8.150 nan 0.000 0.413 252 E N -0.452 119.754 120.200 0.010 0.000 2.233 252 E HA -0.172 4.178 4.350 0.000 0.000 0.199 252 E C -0.293 176.326 176.600 0.031 0.000 1.004 252 E CA 1.818 58.230 56.400 0.020 0.000 0.819 252 E CB 0.099 29.813 29.700 0.023 0.000 0.738 252 E HN 0.609 nan 8.360 nan 0.000 0.478 253 D N -2.287 118.133 120.400 0.032 0.000 3.020 253 D HA 0.048 4.688 4.640 0.000 0.000 0.268 253 D C -1.992 174.334 176.300 0.044 0.000 1.078 253 D CA -0.389 53.635 54.000 0.041 0.000 0.725 253 D CB 1.090 41.915 40.800 0.041 0.000 1.639 253 D HN -0.119 nan 8.370 nan 0.000 0.455 254 V N 2.599 122.547 119.914 0.057 0.000 2.487 254 V HA 0.599 4.719 4.120 0.000 0.000 0.298 254 V C -0.206 175.930 176.094 0.070 0.000 1.028 254 V CA -0.495 61.844 62.300 0.064 0.000 0.860 254 V CB 1.671 33.543 31.823 0.081 0.000 0.991 254 V HN 0.439 nan 8.190 nan 0.000 0.427 255 E N 2.400 122.635 120.200 0.058 0.000 2.312 255 E HA 0.632 4.982 4.350 0.000 0.000 0.267 255 E C 0.881 177.510 176.600 0.047 0.000 0.894 255 E CA -0.151 56.281 56.400 0.053 0.000 0.773 255 E CB 2.234 31.959 29.700 0.041 0.000 1.241 255 E HN 0.805 nan 8.360 nan 0.000 0.432 256 G N 2.471 111.298 108.800 0.044 0.000 2.684 256 G HA2 -0.495 3.465 3.960 0.000 0.000 0.358 256 G HA3 -0.495 3.465 3.960 0.000 0.000 0.358 256 G C 1.221 176.138 174.900 0.029 0.000 1.164 256 G CA 1.088 46.208 45.100 0.034 0.000 0.935 256 G HN 0.703 nan 8.290 nan 0.000 0.574 257 E N 1.406 121.619 120.200 0.022 0.000 2.048 257 E HA -0.223 4.127 4.350 0.000 0.000 0.202 257 E C 2.981 179.595 176.600 0.024 0.000 1.021 257 E CA 2.687 59.098 56.400 0.017 0.000 0.825 257 E CB -0.741 28.967 29.700 0.014 0.000 0.756 257 E HN 0.840 nan 8.360 nan 0.000 0.454 258 A N 1.319 124.159 122.820 0.033 0.000 1.845 258 A HA -0.194 4.126 4.320 0.000 0.000 0.215 258 A C 2.318 179.940 177.584 0.064 0.000 1.195 258 A CA 1.768 53.831 52.037 0.044 0.000 0.616 258 A CB -0.979 18.049 19.000 0.046 0.000 0.832 258 A HN 0.368 nan 8.150 nan 0.000 0.443 259 L N -0.085 121.184 121.223 0.078 0.000 1.971 259 L HA -0.149 4.191 4.340 0.000 0.000 0.215 259 L C 2.696 179.613 176.870 0.077 0.000 1.072 259 L CA 2.677 57.586 54.840 0.115 0.000 0.758 259 L CB -1.059 41.071 42.059 0.118 0.000 0.889 259 L HN 0.385 nan 8.230 nan 0.000 0.433 260 A N -1.456 121.384 122.820 0.034 0.000 1.873 260 A HA -0.276 4.044 4.320 0.000 0.000 0.218 260 A C 2.277 179.840 177.584 -0.035 0.000 1.193 260 A CA 2.733 54.761 52.037 -0.016 0.000 0.629 260 A CB -1.496 17.494 19.000 -0.017 0.000 0.826 260 A HN 0.573 nan 8.150 nan 0.000 0.447 261 T N 0.423 114.972 114.554 -0.008 0.000 2.760 261 T HA -0.160 4.190 4.350 0.000 0.000 0.269 261 T C 1.706 176.403 174.700 -0.005 0.000 1.047 261 T CA 1.662 63.756 62.100 -0.010 0.000 1.139 261 T CB -0.398 68.475 68.868 0.008 0.000 0.855 261 T HN 0.399 nan 8.240 nan 0.000 0.471 262 L N 0.281 121.522 121.223 0.030 0.000 2.127 262 L HA 0.025 4.365 4.340 0.000 0.000 0.203 262 L C 2.602 179.447 176.870 -0.041 0.000 1.080 262 L CA 0.589 55.472 54.840 0.072 0.000 0.768 262 L CB -0.604 41.584 42.059 0.215 0.000 0.924 262 L HN 0.111 nan 8.230 nan 0.000 0.444 263 V N -0.422 119.398 119.914 -0.157 0.000 2.568 263 V HA -0.230 3.890 4.120 0.000 0.000 0.253 263 V C 2.374 178.263 176.094 -0.342 0.000 1.072 263 V CA 1.160 63.210 62.300 -0.418 0.000 1.084 263 V CB -0.442 31.157 31.823 -0.375 0.000 0.676 263 V HN 0.186 nan 8.190 nan 0.000 0.469 264 V N 0.612 120.399 119.914 -0.211 0.000 2.231 264 V HA -0.243 3.877 4.120 0.000 0.000 0.240 264 V C 2.127 178.144 176.094 -0.128 0.000 1.039 264 V CA 2.444 64.638 62.300 -0.177 0.000 0.998 264 V CB -0.855 30.900 31.823 -0.114 0.000 0.639 264 V HN 0.598 nan 8.190 nan 0.000 0.451 265 N N 0.415 119.071 118.700 -0.073 0.000 2.247 265 N HA -0.229 4.511 4.740 0.000 0.000 0.189 265 N C 1.745 177.238 175.510 -0.028 0.000 1.009 265 N CA 1.798 54.828 53.050 -0.035 0.000 0.872 265 N CB -0.235 38.252 38.487 0.002 0.000 0.980 265 N HN 0.732 nan 8.380 nan 0.000 0.436 266 T N -1.253 113.271 114.554 -0.050 0.000 2.881 266 T HA -0.064 4.286 4.350 0.000 0.000 0.270 266 T C 1.717 176.396 174.700 -0.035 0.000 1.068 266 T CA 0.914 63.001 62.100 -0.022 0.000 1.131 266 T CB -0.054 68.785 68.868 -0.048 0.000 0.871 266 T HN 0.054 nan 8.240 nan 0.000 0.479 267 M N 0.396 119.951 119.600 -0.074 0.000 2.394 267 M HA 0.329 4.809 4.480 0.000 0.000 0.266 267 M C 2.056 178.331 176.300 -0.041 0.000 1.098 267 M CA 0.794 56.060 55.300 -0.057 0.000 1.149 267 M CB -0.074 32.473 32.600 -0.089 0.000 1.369 267 M HN 0.024 nan 8.290 nan 0.000 0.450 268 R N 0.105 120.578 120.500 -0.045 0.000 2.404 268 R HA 0.219 4.559 4.340 0.000 0.000 0.236 268 R C 1.228 177.519 176.300 -0.015 0.000 1.044 268 R CA 0.498 56.579 56.100 -0.031 0.000 1.133 268 R CB -0.622 29.657 30.300 -0.036 0.000 1.142 268 R HN 0.571 nan 8.270 nan 0.000 0.512 269 G N 1.754 110.549 108.800 -0.008 0.000 2.335 269 G HA2 -0.330 3.630 3.960 0.000 0.000 0.264 269 G HA3 -0.330 3.630 3.960 0.000 0.000 0.264 269 G C 0.545 175.452 174.900 0.012 0.000 0.990 269 G CA 0.574 45.677 45.100 0.005 0.000 0.647 269 G HN 0.437 nan 8.290 nan 0.000 0.561 270 I N 1.589 122.163 120.570 0.007 0.000 2.624 270 I HA 0.286 4.456 4.170 0.000 0.000 0.307 270 I C 0.597 176.730 176.117 0.026 0.000 1.191 270 I CA 0.169 61.477 61.300 0.013 0.000 1.708 270 I CB -0.532 37.471 38.000 0.006 0.000 1.521 270 I HN 0.139 nan 8.210 nan 0.000 0.805 271 V N 4.520 124.455 119.914 0.035 0.000 3.379 271 V HA -0.208 3.912 4.120 0.000 0.000 0.484 271 V C 0.147 176.282 176.094 0.069 0.000 0.682 271 V CA -0.171 62.160 62.300 0.052 0.000 2.029 271 V CB -0.760 31.095 31.823 0.055 0.000 2.475 271 V HN 0.944 nan 8.190 nan 0.000 0.502 272 K N 4.075 124.522 120.400 0.078 0.000 2.300 272 K HA 0.736 5.056 4.320 0.000 0.000 0.264 272 K C -0.559 176.113 176.600 0.121 0.000 1.083 272 K CA -0.617 55.731 56.287 0.102 0.000 0.958 272 K CB 1.924 34.472 32.500 0.080 0.000 1.318 272 K HN 1.043 nan 8.250 nan 0.000 0.448 273 V N -0.921 119.093 119.914 0.166 0.000 2.823 273 V HA 0.933 5.053 4.120 0.000 0.000 0.312 273 V C -0.694 175.476 176.094 0.126 0.000 1.072 273 V CA -0.982 61.398 62.300 0.132 0.000 0.937 273 V CB 1.543 33.437 31.823 0.119 0.000 1.013 273 V HN 0.800 nan 8.190 nan 0.000 0.430 274 A N 2.434 125.180 122.820 -0.123 0.000 2.435 274 A HA 1.068 5.388 4.320 0.000 0.000 0.304 274 A C -0.259 177.064 177.584 -0.436 0.000 1.064 274 A CA -0.237 51.409 52.037 -0.652 0.000 0.727 274 A CB 1.813 20.530 19.000 -0.471 0.000 1.284 274 A HN 2.409 nan 8.150 nan 0.000 0.415 275 A N 0.600 123.084 122.820 -0.560 0.000 2.498 275 A HA 0.881 5.201 4.320 0.000 0.000 0.298 275 A C -0.513 176.991 177.584 -0.133 0.000 1.075 275 A CA -0.059 51.855 52.037 -0.204 0.000 0.714 275 A CB 1.444 20.393 19.000 -0.085 0.000 1.299 275 A HN 2.319 nan 8.150 nan 0.000 0.407 276 V N -1.522 118.384 119.914 -0.012 0.000 3.159 276 V HA 0.627 4.747 4.120 0.000 0.000 0.308 276 V C -0.461 175.681 176.094 0.081 0.000 1.190 276 V CA -1.276 61.054 62.300 0.050 0.000 1.037 276 V CB 1.526 33.400 31.823 0.085 0.000 1.060 276 V HN 0.879 nan 8.190 nan 0.000 0.437 277 K N 1.542 121.993 120.400 0.086 0.000 2.382 277 K HA 0.606 4.926 4.320 0.000 0.000 0.275 277 K C 0.550 177.188 176.600 0.063 0.000 1.009 277 K CA 0.393 56.721 56.287 0.069 0.000 0.970 277 K CB 1.246 33.784 32.500 0.063 0.000 0.934 277 K HN 1.126 nan 8.250 nan 0.000 0.479 278 A N 4.835 127.655 122.820 0.001 0.000 2.492 278 A HA 0.164 4.484 4.320 0.000 0.000 0.236 278 A C -2.061 175.467 177.584 -0.092 0.000 1.078 278 A CA -0.831 51.148 52.037 -0.097 0.000 0.773 278 A CB -0.362 18.588 19.000 -0.083 0.000 1.023 278 A HN 0.498 nan 8.150 nan 0.000 0.504 279 P HA 0.422 nan 4.420 nan 0.000 0.278 279 P C 0.688 177.977 177.300 -0.018 0.000 1.238 279 P CA 1.257 64.292 63.100 -0.109 0.000 0.794 279 P CB 0.892 32.432 31.700 -0.267 0.000 0.955 280 G N 2.244 111.089 108.800 0.075 0.000 2.601 280 G HA2 -0.115 3.845 3.960 0.000 0.000 0.261 280 G HA3 -0.115 3.845 3.960 0.000 0.000 0.261 280 G C -0.730 174.330 174.900 0.267 0.000 1.289 280 G CA 0.347 45.546 45.100 0.165 0.000 0.920 280 G HN 0.796 nan 8.290 nan 0.000 0.571 281 F N -2.608 117.342 119.950 -0.000 0.000 2.741 281 F HA 0.769 5.296 4.527 0.000 0.000 0.313 281 F C 0.817 176.621 175.800 0.006 0.000 1.153 281 F CA 0.495 58.497 58.000 0.002 0.000 0.931 281 F CB 0.915 39.922 39.000 0.012 0.000 1.335 281 F HN 2.562 nan 8.300 nan 0.000 0.460 282 G N 1.480 110.186 108.800 -0.158 0.000 2.525 282 G HA2 -0.243 3.717 3.960 0.000 0.000 0.248 282 G HA3 -0.243 3.717 3.960 0.000 0.000 0.248 282 G C 0.048 174.836 174.900 -0.185 0.000 1.238 282 G CA 0.396 45.327 45.100 -0.282 0.000 0.926 282 G HN 0.908 nan 8.290 nan 0.000 0.574 283 D N 0.354 120.641 120.400 -0.189 0.000 2.183 283 D HA -0.010 4.630 4.640 0.000 0.000 0.203 283 D C 2.573 178.797 176.300 -0.127 0.000 0.969 283 D CA 1.031 54.959 54.000 -0.121 0.000 0.842 283 D CB -0.125 40.617 40.800 -0.096 0.000 0.957 283 D HN 0.474 nan 8.370 nan 0.000 0.484 284 R N 0.699 121.093 120.500 -0.177 0.000 2.081 284 R HA -0.054 4.286 4.340 0.000 0.000 0.235 284 R C 2.388 178.618 176.300 -0.116 0.000 1.131 284 R CA 0.699 56.711 56.100 -0.146 0.000 0.960 284 R CB -0.165 30.032 30.300 -0.172 0.000 0.856 284 R HN 0.100 nan 8.270 nan 0.000 0.436 285 R N 1.726 122.157 120.500 -0.115 0.000 2.083 285 R HA -0.180 4.160 4.340 0.000 0.000 0.237 285 R C 1.795 178.048 176.300 -0.078 0.000 1.137 285 R CA 1.798 57.852 56.100 -0.076 0.000 0.951 285 R CB -0.042 30.240 30.300 -0.029 0.000 0.851 285 R HN 0.140 nan 8.270 nan 0.000 0.434 286 K N -0.232 120.126 120.400 -0.070 0.000 2.063 286 K HA -0.121 4.199 4.320 0.000 0.000 0.208 286 K C 2.088 178.650 176.600 -0.063 0.000 1.048 286 K CA 1.586 57.838 56.287 -0.059 0.000 0.928 286 K CB -0.143 32.328 32.500 -0.050 0.000 0.713 286 K HN 0.247 nan 8.250 nan 0.000 0.442 287 A N 1.066 123.845 122.820 -0.070 0.000 1.897 287 A HA -0.105 4.215 4.320 0.000 0.000 0.215 287 A C 2.111 179.652 177.584 -0.071 0.000 1.181 287 A CA 1.241 53.239 52.037 -0.065 0.000 0.620 287 A CB -0.389 18.572 19.000 -0.066 0.000 0.821 287 A HN 0.155 nan 8.150 nan 0.000 0.443 288 M N -0.628 118.920 119.600 -0.088 0.000 2.159 288 M HA -0.091 4.389 4.480 0.000 0.000 0.263 288 M C 2.140 178.364 176.300 -0.125 0.000 1.063 288 M CA 1.170 56.407 55.300 -0.106 0.000 1.110 288 M CB -0.496 32.026 32.600 -0.130 0.000 1.374 288 M HN 0.391 nan 8.290 nan 0.000 0.411 289 L N 0.034 121.184 121.223 -0.121 0.000 2.042 289 L HA -0.279 4.061 4.340 0.000 0.000 0.210 289 L C 2.701 179.524 176.870 -0.078 0.000 1.076 289 L CA 1.473 56.243 54.840 -0.115 0.000 0.749 289 L CB -0.413 41.595 42.059 -0.086 0.000 0.893 289 L HN 0.331 nan 8.230 nan 0.000 0.432 290 Q N 0.393 120.156 119.800 -0.061 0.000 2.050 290 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 290 Q C 1.599 177.577 176.000 -0.037 0.000 0.980 290 Q CA 2.162 57.940 55.803 -0.042 0.000 0.840 290 Q CB -0.227 28.489 28.738 -0.037 0.000 0.898 290 Q HN 0.408 nan 8.270 nan 0.000 0.424 291 D N -0.121 120.253 120.400 -0.044 0.000 2.127 291 D HA -0.211 4.429 4.640 0.000 0.000 0.190 291 D C 1.830 178.117 176.300 -0.022 0.000 1.000 291 D CA 1.897 55.877 54.000 -0.032 0.000 0.839 291 D CB -0.328 40.449 40.800 -0.039 0.000 0.955 291 D HN 0.341 nan 8.370 nan 0.000 0.446 292 I N 0.804 121.351 120.570 -0.039 0.000 2.118 292 I HA -0.354 3.816 4.170 0.000 0.000 0.241 292 I C 2.483 178.603 176.117 0.004 0.000 1.070 292 I CA 1.352 62.644 61.300 -0.014 0.000 1.327 292 I CB -0.518 37.451 38.000 -0.053 0.000 1.034 292 I HN -0.004 nan 8.210 nan 0.000 0.405 293 A N 0.566 123.381 122.820 -0.008 0.000 1.884 293 A HA -0.276 4.044 4.320 0.000 0.000 0.219 293 A C 2.392 179.981 177.584 0.010 0.000 1.197 293 A CA 2.892 54.932 52.037 0.004 0.000 0.637 293 A CB -1.311 17.686 19.000 -0.005 0.000 0.827 293 A HN 0.440 nan 8.150 nan 0.000 0.450 294 T N 0.404 114.960 114.554 0.002 0.000 2.622 294 T HA -0.164 4.186 4.350 0.000 0.000 0.266 294 T C 1.852 176.559 174.700 0.011 0.000 1.047 294 T CA 1.408 63.511 62.100 0.004 0.000 1.159 294 T CB -0.435 68.432 68.868 -0.002 0.000 0.863 294 T HN 0.343 nan 8.240 nan 0.000 0.422 295 L N 1.889 123.119 121.223 0.013 0.000 2.129 295 L HA -0.100 4.240 4.340 0.000 0.000 0.212 295 L C 2.017 178.903 176.870 0.025 0.000 1.087 295 L CA 2.398 57.250 54.840 0.019 0.000 0.757 295 L CB -1.350 40.724 42.059 0.026 0.000 0.896 295 L HN 0.504 nan 8.230 nan 0.000 0.434 296 T N -3.145 111.427 114.554 0.031 0.000 3.129 296 T HA 0.429 4.779 4.350 0.000 0.000 0.267 296 T C 0.874 175.598 174.700 0.041 0.000 1.018 296 T CA 0.173 62.295 62.100 0.037 0.000 0.903 296 T CB -0.238 68.660 68.868 0.051 0.000 1.067 296 T HN 0.632 nan 8.240 nan 0.000 0.549 297 G N -0.049 108.770 108.800 0.032 0.000 2.978 297 G HA2 0.385 4.345 3.960 0.000 0.000 0.686 297 G HA3 0.385 4.345 3.960 0.000 0.000 0.686 297 G C 0.225 175.151 174.900 0.044 0.000 1.288 297 G CA -0.449 44.671 45.100 0.034 0.000 1.026 297 G HN 1.967 nan 8.290 nan 0.000 0.587 298 G N -0.039 108.782 108.800 0.034 0.000 2.462 298 G HA2 0.586 4.546 3.960 0.000 0.000 0.685 298 G HA3 0.586 4.546 3.960 0.000 0.000 0.685 298 G C -0.087 174.824 174.900 0.018 0.000 1.295 298 G CA 0.381 45.500 45.100 0.033 0.000 0.941 298 G HN 2.856 nan 8.290 nan 0.000 0.554 299 T N -2.685 111.875 114.554 0.010 0.000 2.887 299 T HA 0.862 5.212 4.350 0.000 0.000 0.292 299 T C 0.327 175.025 174.700 -0.003 0.000 1.087 299 T CA -0.195 61.906 62.100 0.001 0.000 1.009 299 T CB 1.515 70.381 68.868 -0.003 0.000 1.203 299 T HN 2.070 nan 8.240 nan 0.000 0.518 300 V N -0.643 119.266 119.914 -0.009 0.000 2.686 300 V HA 0.621 4.741 4.120 0.000 0.000 0.295 300 V C -0.196 175.891 176.094 -0.012 0.000 1.057 300 V CA -0.906 61.386 62.300 -0.013 0.000 1.012 300 V CB 0.338 32.150 31.823 -0.019 0.000 1.006 300 V HN 0.871 nan 8.190 nan 0.000 0.477 301 I N 4.475 125.038 120.570 -0.012 0.000 2.412 301 I HA 0.342 4.512 4.170 0.000 0.000 0.279 301 I C 0.289 176.400 176.117 -0.010 0.000 1.063 301 I CA -0.049 61.245 61.300 -0.011 0.000 1.193 301 I CB 1.134 39.127 38.000 -0.011 0.000 1.370 301 I HN 0.859 nan 8.210 nan 0.000 0.479 302 S N 2.624 118.318 115.700 -0.010 0.000 2.451 302 S HA 0.363 4.833 4.470 0.000 0.000 0.301 302 S C 0.724 175.320 174.600 -0.007 0.000 1.116 302 S CA -0.771 57.423 58.200 -0.009 0.000 1.093 302 S CB 1.832 65.025 63.200 -0.012 0.000 1.017 302 S HN 0.581 nan 8.310 nan 0.000 0.482 303 E N 2.193 122.390 120.200 -0.005 0.000 2.130 303 E HA -0.222 4.128 4.350 0.000 0.000 0.196 303 E C 1.373 177.971 176.600 -0.004 0.000 0.998 303 E CA 1.570 57.968 56.400 -0.003 0.000 0.806 303 E CB -0.243 29.456 29.700 -0.001 0.000 0.738 303 E HN 0.845 nan 8.360 nan 0.000 0.459 304 E N 0.175 120.372 120.200 -0.005 0.000 2.301 304 E HA -0.200 4.150 4.350 0.000 0.000 0.202 304 E C 0.761 177.357 176.600 -0.006 0.000 1.017 304 E CA 0.805 57.201 56.400 -0.006 0.000 0.831 304 E CB -0.125 29.570 29.700 -0.008 0.000 0.742 304 E HN 0.403 nan 8.360 nan 0.000 0.491 305 I N -0.541 120.025 120.570 -0.006 0.000 2.979 305 I HA 0.209 4.379 4.170 0.000 0.000 0.337 305 I C 0.767 176.880 176.117 -0.006 0.000 1.453 305 I CA -0.294 61.002 61.300 -0.006 0.000 0.891 305 I CB 0.869 38.865 38.000 -0.007 0.000 1.887 305 I HN 0.050 nan 8.210 nan 0.000 0.546 306 G N 1.975 110.772 108.800 -0.005 0.000 2.200 306 G HA2 -0.324 3.636 3.960 0.000 0.000 0.268 306 G HA3 -0.324 3.636 3.960 0.000 0.000 0.268 306 G C 0.424 175.321 174.900 -0.005 0.000 0.986 306 G CA 0.414 45.511 45.100 -0.004 0.000 0.677 306 G HN 0.462 nan 8.290 nan 0.000 0.532 307 M N 0.431 120.028 119.600 -0.006 0.000 2.217 307 M HA 0.401 4.881 4.480 0.000 0.000 0.354 307 M C 0.411 176.706 176.300 -0.007 0.000 1.225 307 M CA 0.535 55.831 55.300 -0.007 0.000 1.137 307 M CB 0.745 33.340 32.600 -0.009 0.000 1.576 307 M HN 0.227 nan 8.290 nan 0.000 0.461 308 E N 2.262 122.457 120.200 -0.008 0.000 2.277 308 E HA 0.300 4.650 4.350 0.000 0.000 0.266 308 E C -0.104 176.490 176.600 -0.010 0.000 0.901 308 E CA -0.645 55.751 56.400 -0.007 0.000 0.782 308 E CB 2.045 31.741 29.700 -0.006 0.000 1.228 308 E HN 0.661 nan 8.360 nan 0.000 0.424 309 L N 1.867 123.085 121.223 -0.009 0.000 2.749 309 L HA -0.120 4.220 4.340 0.000 0.000 0.245 309 L C 1.020 177.881 176.870 -0.015 0.000 1.156 309 L CA 0.699 55.532 54.840 -0.012 0.000 0.890 309 L CB -0.353 41.702 42.059 -0.007 0.000 1.036 309 L HN 0.485 nan 8.230 nan 0.000 0.441 310 E N -0.082 120.110 120.200 -0.014 0.000 2.256 310 E HA 0.009 4.359 4.350 0.000 0.000 0.198 310 E C 1.025 177.615 176.600 -0.017 0.000 0.908 310 E CA 0.549 56.940 56.400 -0.015 0.000 0.915 310 E CB 0.207 29.901 29.700 -0.011 0.000 0.890 310 E HN 0.187 nan 8.360 nan 0.000 0.484 311 K N 0.933 121.324 120.400 -0.015 0.000 3.025 311 K HA 0.340 4.660 4.320 0.000 0.000 0.260 311 K C -0.435 176.154 176.600 -0.020 0.000 1.023 311 K CA -0.003 56.275 56.287 -0.016 0.000 1.194 311 K CB 0.308 32.801 32.500 -0.012 0.000 1.094 311 K HN -0.048 nan 8.250 nan 0.000 0.460 312 A N 1.342 124.146 122.820 -0.026 0.000 2.310 312 A HA 0.283 4.603 4.320 0.000 0.000 0.304 312 A C 0.564 178.120 177.584 -0.047 0.000 1.231 312 A CA -0.779 51.238 52.037 -0.034 0.000 0.799 312 A CB 0.416 19.395 19.000 -0.035 0.000 1.162 312 A HN 0.311 nan 8.150 nan 0.000 0.486 313 T N 0.444 114.970 114.554 -0.046 0.000 3.332 313 T HA 0.332 4.682 4.350 0.000 0.000 0.367 313 T C 1.175 175.821 174.700 -0.091 0.000 1.244 313 T CA 0.241 62.307 62.100 -0.056 0.000 0.977 313 T CB -0.082 68.762 68.868 -0.040 0.000 1.784 313 T HN 0.307 nan 8.240 nan 0.000 0.553 314 L N -0.294 120.870 121.223 -0.098 0.000 2.408 314 L HA 0.284 4.624 4.340 0.000 0.000 0.215 314 L C 2.752 179.551 176.870 -0.118 0.000 1.081 314 L CA 0.599 55.340 54.840 -0.165 0.000 0.840 314 L CB -0.323 41.644 42.059 -0.153 0.000 1.002 314 L HN 0.634 nan 8.230 nan 0.000 0.468 315 E N 0.383 120.554 120.200 -0.048 0.000 2.299 315 E HA -0.158 4.192 4.350 0.000 0.000 0.193 315 E C 1.487 178.083 176.600 -0.007 0.000 0.998 315 E CA 0.775 57.172 56.400 -0.006 0.000 0.851 315 E CB 0.062 29.766 29.700 0.006 0.000 0.795 315 E HN 0.275 nan 8.360 nan 0.000 0.492 316 D N -0.041 120.342 120.400 -0.028 0.000 2.263 316 D HA -0.103 4.537 4.640 0.000 0.000 0.208 316 D C 0.408 176.698 176.300 -0.015 0.000 0.971 316 D CA 0.330 54.318 54.000 -0.020 0.000 0.867 316 D CB -0.041 40.742 40.800 -0.029 0.000 0.929 316 D HN 0.194 nan 8.370 nan 0.000 0.492 317 L N 0.626 121.827 121.223 -0.037 0.000 2.452 317 L HA 0.352 4.692 4.340 0.000 0.000 0.267 317 L C 0.984 177.902 176.870 0.081 0.000 1.188 317 L CA 0.033 54.861 54.840 -0.019 0.000 0.821 317 L CB 1.113 43.078 42.059 -0.156 0.000 1.102 317 L HN -0.104 nan 8.230 nan 0.000 0.470 318 G N 2.100 110.970 108.800 0.118 0.000 2.528 318 G HA2 0.500 4.460 3.960 0.000 0.000 0.289 318 G HA3 0.500 4.460 3.960 0.000 0.000 0.289 318 G C -1.284 173.757 174.900 0.236 0.000 1.192 318 G CA -0.266 44.919 45.100 0.140 0.000 0.921 318 G HN 0.709 nan 8.290 nan 0.000 0.512 319 Q N -0.966 118.919 119.800 0.142 0.000 2.378 319 Q HA 0.546 4.886 4.340 0.000 0.000 0.262 319 Q C -1.316 174.686 176.000 0.003 0.000 0.978 319 Q CA -0.734 55.108 55.803 0.065 0.000 0.918 319 Q CB 1.828 30.594 28.738 0.047 0.000 1.415 319 Q HN 0.967 nan 8.270 nan 0.000 0.409 320 A N 2.680 125.479 122.820 -0.035 0.000 2.532 320 A HA 0.494 4.814 4.320 0.000 0.000 0.290 320 A C -0.462 177.086 177.584 -0.060 0.000 1.143 320 A CA -0.618 51.401 52.037 -0.029 0.000 0.728 320 A CB 1.793 20.792 19.000 -0.002 0.000 1.317 320 A HN 0.804 nan 8.150 nan 0.000 0.414 321 K N -0.684 119.690 120.400 -0.045 0.000 2.459 321 K HA 0.132 4.452 4.320 0.000 0.000 0.193 321 K C 0.355 176.927 176.600 -0.046 0.000 1.030 321 K CA 0.770 57.026 56.287 -0.052 0.000 1.026 321 K CB 0.032 32.509 32.500 -0.038 0.000 0.809 321 K HN 0.568 nan 8.250 nan 0.000 0.504 322 R N -0.379 120.099 120.500 -0.037 0.000 3.964 322 R HA 0.068 4.408 4.340 0.000 0.000 0.244 322 R C -1.917 174.368 176.300 -0.025 0.000 1.004 322 R CA -0.534 55.547 56.100 -0.031 0.000 1.148 322 R CB 0.887 31.170 30.300 -0.027 0.000 1.234 322 R HN -0.025 nan 8.270 nan 0.000 0.567 323 V N 0.389 120.289 119.914 -0.023 0.000 3.001 323 V HA 0.945 5.065 4.120 0.000 0.000 0.314 323 V C -1.297 174.779 176.094 -0.029 0.000 1.099 323 V CA -0.627 61.657 62.300 -0.027 0.000 0.989 323 V CB 2.390 34.203 31.823 -0.018 0.000 1.040 323 V HN 0.438 nan 8.190 nan 0.000 0.434 324 V N 4.025 123.912 119.914 -0.045 0.000 2.577 324 V HA 0.499 4.619 4.120 0.000 0.000 0.294 324 V C -0.955 175.112 176.094 -0.045 0.000 1.052 324 V CA -0.086 62.195 62.300 -0.031 0.000 0.891 324 V CB 1.387 33.192 31.823 -0.029 0.000 1.017 324 V HN 0.835 nan 8.190 nan 0.000 0.436 325 I N 5.602 126.173 120.570 0.000 0.000 2.359 325 I HA 0.518 4.689 4.170 0.000 0.000 0.294 325 I C 0.447 176.639 176.117 0.124 0.000 0.987 325 I CA 0.195 61.512 61.300 0.029 0.000 1.225 325 I CB 1.405 39.454 38.000 0.080 0.000 1.366 325 I HN 0.557 nan 8.210 nan 0.000 0.466 326 N N 4.515 123.249 118.700 0.056 0.000 2.776 326 N HA 0.287 5.027 4.740 0.000 0.000 0.319 326 N C 0.853 176.297 175.510 -0.111 0.000 1.316 326 N CA -0.725 52.375 53.050 0.085 0.000 0.890 326 N CB 0.564 39.059 38.487 0.013 0.000 1.165 326 N HN 0.443 nan 8.380 nan 0.000 0.596 327 K N 0.004 120.304 120.400 -0.167 0.000 2.211 327 K HA -0.127 4.193 4.320 0.000 0.000 0.203 327 K C -0.570 175.744 176.600 -0.476 0.000 1.050 327 K CA 1.714 57.671 56.287 -0.550 0.000 0.945 327 K CB 0.018 32.420 32.500 -0.163 0.000 0.732 327 K HN 0.586 nan 8.250 nan 0.000 0.451 328 D N -1.328 118.922 120.400 -0.249 0.000 2.783 328 D HA 0.096 4.736 4.640 0.000 0.000 0.306 328 D C -1.043 175.190 176.300 -0.112 0.000 1.633 328 D CA -0.451 53.450 54.000 -0.165 0.000 0.796 328 D CB 0.845 41.584 40.800 -0.100 0.000 1.230 328 D HN -0.157 nan 8.370 nan 0.000 0.441 329 T N -0.008 114.465 114.554 -0.135 0.000 3.172 329 T HA 0.524 4.874 4.350 0.000 0.000 0.320 329 T C -0.910 173.653 174.700 -0.228 0.000 1.085 329 T CA -0.458 61.551 62.100 -0.151 0.000 1.052 329 T CB 2.048 70.856 68.868 -0.101 0.000 1.107 329 T HN -0.105 nan 8.240 nan 0.000 0.458 330 T N 2.503 116.789 114.554 -0.446 0.000 2.823 330 T HA 0.723 5.073 4.350 0.000 0.000 0.279 330 T C -0.179 174.120 174.700 -0.668 0.000 0.998 330 T CA -0.627 61.112 62.100 -0.601 0.000 0.994 330 T CB 1.527 69.811 68.868 -0.973 0.000 0.960 330 T HN 0.675 nan 8.240 nan 0.000 0.448 331 T N 2.899 117.231 114.554 -0.370 0.000 3.031 331 T HA 0.577 4.927 4.350 0.000 0.000 0.305 331 T C -0.745 173.879 174.700 -0.128 0.000 0.985 331 T CA -0.714 61.243 62.100 -0.239 0.000 1.008 331 T CB 0.118 68.896 68.868 -0.150 0.000 1.005 331 T HN 0.486 nan 8.240 nan 0.000 0.444 332 I N 5.853 126.385 120.570 -0.063 0.000 2.325 332 I HA 0.422 4.592 4.170 0.000 0.000 0.291 332 I C -0.071 176.043 176.117 -0.004 0.000 1.019 332 I CA -0.823 60.475 61.300 -0.003 0.000 1.302 332 I CB 1.143 39.182 38.000 0.065 0.000 1.401 332 I HN 0.578 nan 8.210 nan 0.000 0.485 333 I N 5.972 126.535 120.570 -0.012 0.000 2.355 333 I HA 0.283 4.453 4.170 0.000 0.000 0.288 333 I C -0.621 175.490 176.117 -0.011 0.000 0.999 333 I CA -0.501 60.791 61.300 -0.014 0.000 1.163 333 I CB 1.158 39.146 38.000 -0.021 0.000 1.316 333 I HN 0.574 nan 8.210 nan 0.000 0.454 334 D N 4.921 125.317 120.400 -0.007 0.000 4.847 334 D HA -0.102 4.538 4.640 0.000 0.000 0.237 334 D C -0.236 176.062 176.300 -0.004 0.000 1.164 334 D CA 0.833 54.829 54.000 -0.007 0.000 1.196 334 D CB 0.096 40.888 40.800 -0.014 0.000 0.717 334 D HN 0.853 nan 8.370 nan 0.000 0.348 335 G N 1.714 110.516 108.800 0.003 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 1.317 176.220 174.900 0.005 0.000 1.127 335 G CA -0.449 44.656 45.100 0.008 0.000 0.885 335 G HN 0.349 nan 8.290 nan 0.000 0.477 336 V N 2.436 122.354 119.914 0.007 0.000 2.759 336 V HA -0.025 4.095 4.120 0.000 0.000 0.256 336 V C 2.256 178.357 176.094 0.013 0.000 1.080 336 V CA 1.212 63.517 62.300 0.007 0.000 1.101 336 V CB -1.157 30.674 31.823 0.013 0.000 0.698 336 V HN 0.854 nan 8.190 nan 0.000 0.477 337 G N 1.183 109.993 108.800 0.016 0.000 2.341 337 G HA2 -0.061 3.899 3.960 0.000 0.000 0.231 337 G HA3 -0.061 3.899 3.960 0.000 0.000 0.231 337 G C -0.025 174.881 174.900 0.010 0.000 1.206 337 G CA -0.219 44.890 45.100 0.015 0.000 0.865 337 G HN 0.347 nan 8.290 nan 0.000 0.515 338 E N 1.985 122.190 120.200 0.009 0.000 2.328 338 E HA -0.013 4.337 4.350 0.000 0.000 0.265 338 E C 1.514 178.116 176.600 0.005 0.000 1.057 338 E CA -0.078 56.326 56.400 0.007 0.000 0.916 338 E CB 0.663 30.366 29.700 0.006 0.000 0.993 338 E HN 0.687 nan 8.360 nan 0.000 0.446 339 E N 1.980 122.182 120.200 0.003 0.000 2.501 339 E HA -0.180 4.170 4.350 0.000 0.000 0.203 339 E C 1.017 177.618 176.600 0.001 0.000 1.072 339 E CA 0.826 57.228 56.400 0.002 0.000 0.885 339 E CB -0.018 29.683 29.700 0.001 0.000 0.813 339 E HN 0.433 nan 8.360 nan 0.000 0.556 340 A N 0.928 123.749 122.820 0.002 0.000 2.055 340 A HA 0.455 4.775 4.320 0.000 0.000 0.205 340 A C 2.303 179.888 177.584 0.001 0.000 1.235 340 A CA 0.633 52.671 52.037 0.001 0.000 0.822 340 A CB 0.037 19.037 19.000 0.001 0.000 0.903 340 A HN 0.259 nan 8.150 nan 0.000 0.473 341 A N 0.287 123.108 122.820 0.001 0.000 1.897 341 A HA 0.061 4.381 4.320 0.000 0.000 0.215 341 A C 1.997 179.581 177.584 -0.000 0.000 1.181 341 A CA 1.271 53.308 52.037 0.001 0.000 0.620 341 A CB -0.564 18.438 19.000 0.003 0.000 0.821 341 A HN 0.422 nan 8.150 nan 0.000 0.443 342 I N -0.587 119.983 120.570 0.001 0.000 2.286 342 I HA -0.267 3.903 4.170 0.000 0.000 0.248 342 I C 2.678 178.794 176.117 -0.001 0.000 1.115 342 I CA 1.680 62.980 61.300 0.001 0.000 1.392 342 I CB -0.189 37.813 38.000 0.003 0.000 1.065 342 I HN 0.355 nan 8.210 nan 0.000 0.418 343 Q N 1.157 120.956 119.800 -0.001 0.000 2.291 343 Q HA -0.107 4.233 4.340 0.000 0.000 0.205 343 Q C 1.958 177.956 176.000 -0.004 0.000 0.970 343 Q CA 1.730 57.532 55.803 -0.002 0.000 0.876 343 Q CB -0.464 28.273 28.738 -0.002 0.000 0.935 343 Q HN 0.479 nan 8.270 nan 0.000 0.455 344 G N -0.541 108.256 108.800 -0.004 0.000 2.494 344 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 344 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 344 G C 1.540 176.436 174.900 -0.007 0.000 1.140 344 G CA 0.491 45.588 45.100 -0.005 0.000 0.801 344 G HN 0.301 nan 8.290 nan 0.000 0.536 345 R N 0.556 121.052 120.500 -0.007 0.000 2.073 345 R HA 0.032 4.372 4.340 0.000 0.000 0.229 345 R C 2.371 178.665 176.300 -0.011 0.000 1.120 345 R CA 1.315 57.409 56.100 -0.010 0.000 0.967 345 R CB -0.843 29.452 30.300 -0.009 0.000 0.862 345 R HN 0.148 nan 8.270 nan 0.000 0.436 346 V N 1.235 121.143 119.914 -0.009 0.000 2.720 346 V HA -0.144 3.976 4.120 0.000 0.000 0.256 346 V C 2.292 178.380 176.094 -0.011 0.000 1.082 346 V CA 1.540 63.834 62.300 -0.010 0.000 1.101 346 V CB -0.910 30.909 31.823 -0.008 0.000 0.693 346 V HN 0.513 nan 8.190 nan 0.000 0.479 347 A N -0.292 122.523 122.820 -0.009 0.000 1.858 347 A HA -0.268 4.052 4.320 0.000 0.000 0.216 347 A C 2.218 179.796 177.584 -0.011 0.000 1.190 347 A CA 1.884 53.915 52.037 -0.009 0.000 0.617 347 A CB -0.457 18.539 19.000 -0.007 0.000 0.827 347 A HN 0.573 nan 8.150 nan 0.000 0.443 348 Q N -0.447 119.346 119.800 -0.012 0.000 2.002 348 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 348 Q C 2.083 178.073 176.000 -0.017 0.000 0.988 348 Q CA 1.751 57.545 55.803 -0.014 0.000 0.843 348 Q CB -0.438 28.291 28.738 -0.015 0.000 0.908 348 Q HN 0.724 nan 8.270 nan 0.000 0.420 349 I N 0.366 120.924 120.570 -0.019 0.000 2.399 349 I HA -0.312 3.858 4.170 0.000 0.000 0.254 349 I C 2.280 178.384 176.117 -0.021 0.000 1.146 349 I CA 1.263 62.549 61.300 -0.023 0.000 1.412 349 I CB -0.255 37.730 38.000 -0.025 0.000 1.076 349 I HN 0.175 nan 8.210 nan 0.000 0.432 350 R N -0.175 120.315 120.500 -0.017 0.000 2.173 350 R HA 0.001 4.341 4.340 0.000 0.000 0.208 350 R C 1.904 178.196 176.300 -0.014 0.000 1.035 350 R CA 0.405 56.496 56.100 -0.015 0.000 1.004 350 R CB 0.081 30.374 30.300 -0.012 0.000 0.917 350 R HN 0.291 nan 8.270 nan 0.000 0.462 351 Q N 0.184 119.977 119.800 -0.013 0.000 2.403 351 Q HA -0.007 4.333 4.340 0.000 0.000 0.203 351 Q C 0.960 176.952 176.000 -0.013 0.000 0.932 351 Q CA 0.758 56.554 55.803 -0.011 0.000 0.945 351 Q CB 0.878 29.610 28.738 -0.010 0.000 1.045 351 Q HN 0.434 nan 8.270 nan 0.000 0.511 352 Q N -0.724 119.066 119.800 -0.016 0.000 2.352 352 Q HA 0.180 4.520 4.340 0.000 0.000 0.212 352 Q C 1.504 177.492 176.000 -0.019 0.000 0.888 352 Q CA 0.071 55.863 55.803 -0.019 0.000 0.934 352 Q CB 0.685 29.409 28.738 -0.024 0.000 1.093 352 Q HN 0.333 nan 8.270 nan 0.000 0.523 353 I N 0.309 120.868 120.570 -0.018 0.000 3.228 353 I HA -0.061 4.109 4.170 0.000 0.000 0.279 353 I C 1.270 177.380 176.117 -0.012 0.000 1.221 353 I CA 0.404 61.693 61.300 -0.018 0.000 1.458 353 I CB 0.244 38.233 38.000 -0.019 0.000 1.105 353 I HN -0.009 nan 8.210 nan 0.000 0.445 354 E N 1.630 121.824 120.200 -0.010 0.000 2.494 354 E HA -0.016 4.334 4.350 0.000 0.000 0.193 354 E C 0.326 176.922 176.600 -0.006 0.000 1.074 354 E CA 0.494 56.889 56.400 -0.007 0.000 0.867 354 E CB 0.036 29.732 29.700 -0.007 0.000 0.924 354 E HN 0.576 nan 8.360 nan 0.000 0.502 355 E N -0.249 119.946 120.200 -0.007 0.000 3.029 355 E HA 0.227 4.577 4.350 0.000 0.000 0.196 355 E C -0.454 176.143 176.600 -0.005 0.000 0.973 355 E CA -0.197 56.200 56.400 -0.006 0.000 1.242 355 E CB 1.189 30.885 29.700 -0.007 0.000 1.056 355 E HN -0.004 nan 8.360 nan 0.000 0.469 356 A N 1.801 124.618 122.820 -0.005 0.000 2.915 356 A HA 0.094 4.414 4.320 0.000 0.000 0.292 356 A C 1.229 178.817 177.584 0.006 0.000 1.632 356 A CA -0.232 51.803 52.037 -0.003 0.000 1.337 356 A CB -0.845 18.151 19.000 -0.006 0.000 1.111 356 A HN 0.197 nan 8.150 nan 0.000 0.569 357 T N -1.132 113.426 114.554 0.008 0.000 3.584 357 T HA 0.297 4.647 4.350 0.000 0.000 0.252 357 T C 0.522 175.235 174.700 0.022 0.000 1.103 357 T CA 0.569 62.677 62.100 0.012 0.000 0.977 357 T CB -0.652 68.222 68.868 0.010 0.000 1.044 357 T HN 0.655 nan 8.240 nan 0.000 0.589 358 S N -1.207 114.510 115.700 0.028 0.000 2.703 358 S HA 0.336 4.806 4.470 0.000 0.000 0.273 358 S C -0.467 174.162 174.600 0.048 0.000 1.178 358 S CA -0.459 57.768 58.200 0.046 0.000 0.838 358 S CB 1.517 64.760 63.200 0.072 0.000 1.178 358 S HN 0.204 nan 8.310 nan 0.000 0.494 359 D N -0.602 119.842 120.400 0.074 0.000 2.725 359 D HA -0.005 4.635 4.640 0.000 0.000 0.269 359 D C 1.598 177.958 176.300 0.101 0.000 1.018 359 D CA 0.506 54.548 54.000 0.070 0.000 0.956 359 D CB -0.290 40.552 40.800 0.069 0.000 1.141 359 D HN 0.519 nan 8.370 nan 0.000 0.478 360 Y N 2.389 122.690 120.300 0.003 0.000 2.053 360 Y HA -0.259 4.291 4.550 0.000 0.000 0.277 360 Y C 1.599 177.499 175.900 -0.001 0.000 1.159 360 Y CA 2.670 60.772 58.100 0.004 0.000 1.125 360 Y CB -0.672 37.792 38.460 0.007 0.000 0.969 360 Y HN -0.047 nan 8.280 nan 0.000 0.492 361 D N -0.551 119.861 120.400 0.020 0.000 2.190 361 D HA -0.210 4.430 4.640 0.000 0.000 0.200 361 D C 2.264 178.498 176.300 -0.111 0.000 0.992 361 D CA 1.679 55.626 54.000 -0.089 0.000 0.854 361 D CB -0.237 40.569 40.800 0.010 0.000 0.936 361 D HN 0.373 nan 8.370 nan 0.000 0.462 362 R N 0.601 121.064 120.500 -0.062 0.000 2.057 362 R HA -0.085 4.255 4.340 0.000 0.000 0.229 362 R C 1.916 178.169 176.300 -0.078 0.000 1.136 362 R CA 1.126 57.194 56.100 -0.053 0.000 0.952 362 R CB 0.050 30.337 30.300 -0.020 0.000 0.848 362 R HN 0.165 nan 8.270 nan 0.000 0.430 363 E N 0.370 120.518 120.200 -0.087 0.000 2.049 363 E HA -0.212 4.138 4.350 0.000 0.000 0.198 363 E C 1.956 178.476 176.600 -0.134 0.000 1.007 363 E CA 1.265 57.611 56.400 -0.090 0.000 0.809 363 E CB 0.035 29.695 29.700 -0.067 0.000 0.749 363 E HN 0.135 nan 8.360 nan 0.000 0.450 364 K N 0.477 120.730 120.400 -0.244 0.000 2.218 364 K HA -0.139 4.181 4.320 0.000 0.000 0.205 364 K C 2.093 178.603 176.600 -0.149 0.000 1.046 364 K CA 0.855 56.997 56.287 -0.242 0.000 0.933 364 K CB -0.188 32.068 32.500 -0.406 0.000 0.728 364 K HN 0.242 nan 8.250 nan 0.000 0.454 365 L N 0.258 121.406 121.223 -0.126 0.000 2.102 365 L HA -0.079 4.261 4.340 0.000 0.000 0.202 365 L C 2.097 178.932 176.870 -0.059 0.000 1.076 365 L CA 0.792 55.581 54.840 -0.084 0.000 0.761 365 L CB -0.249 41.767 42.059 -0.071 0.000 0.921 365 L HN 0.149 nan 8.230 nan 0.000 0.444 366 Q N -0.234 119.534 119.800 -0.053 0.000 2.515 366 Q HA -0.171 4.169 4.340 0.000 0.000 0.214 366 Q C 1.460 177.441 176.000 -0.032 0.000 0.971 366 Q CA 0.447 56.229 55.803 -0.035 0.000 0.952 366 Q CB 0.232 28.953 28.738 -0.028 0.000 0.999 366 Q HN 0.472 nan 8.270 nan 0.000 0.524 367 E N 0.495 120.669 120.200 -0.042 0.000 2.307 367 E HA -0.026 4.324 4.350 0.000 0.000 0.195 367 E C 1.706 178.292 176.600 -0.023 0.000 0.975 367 E CA -0.030 56.351 56.400 -0.032 0.000 0.878 367 E CB 0.415 30.087 29.700 -0.045 0.000 0.845 367 E HN 0.183 nan 8.360 nan 0.000 0.488 368 R N 0.326 120.807 120.500 -0.032 0.000 2.080 368 R HA -0.052 4.288 4.340 0.000 0.000 0.222 368 R C 2.556 178.847 176.300 -0.016 0.000 1.107 368 R CA 1.184 57.269 56.100 -0.025 0.000 0.980 368 R CB -0.041 30.236 30.300 -0.038 0.000 0.879 368 R HN 0.167 nan 8.270 nan 0.000 0.439 369 V N -1.436 118.466 119.914 -0.018 0.000 2.407 369 V HA -0.140 3.980 4.120 0.000 0.000 0.248 369 V C 2.314 178.405 176.094 -0.006 0.000 1.055 369 V CA 1.736 64.028 62.300 -0.013 0.000 1.049 369 V CB -1.137 30.678 31.823 -0.014 0.000 0.662 369 V HN 0.223 nan 8.190 nan 0.000 0.455 370 A N 0.919 123.735 122.820 -0.007 0.000 1.859 370 A HA -0.275 4.045 4.320 0.000 0.000 0.217 370 A C 2.355 179.942 177.584 0.005 0.000 1.198 370 A CA 2.701 54.737 52.037 -0.002 0.000 0.629 370 A CB -0.726 18.273 19.000 -0.002 0.000 0.830 370 A HN 0.625 nan 8.150 nan 0.000 0.446 371 K N -1.245 119.161 120.400 0.011 0.000 2.002 371 K HA -0.090 4.230 4.320 0.000 0.000 0.209 371 K C 1.876 178.490 176.600 0.022 0.000 1.048 371 K CA 1.433 57.734 56.287 0.024 0.000 0.930 371 K CB -0.356 32.169 32.500 0.040 0.000 0.714 371 K HN 0.363 nan 8.250 nan 0.000 0.438 372 L N 0.065 121.297 121.223 0.015 0.000 2.376 372 L HA -0.018 4.322 4.340 0.000 0.000 0.219 372 L C 1.598 178.472 176.870 0.007 0.000 1.133 372 L CA 1.347 56.194 54.840 0.012 0.000 0.816 372 L CB -0.077 41.984 42.059 0.004 0.000 0.933 372 L HN 0.112 nan 8.230 nan 0.000 0.449 373 A N -2.057 120.766 122.820 0.004 0.000 2.287 373 A HA 0.412 4.732 4.320 0.000 0.000 0.214 373 A C 2.076 179.661 177.584 0.002 0.000 1.228 373 A CA 0.400 52.438 52.037 0.002 0.000 0.939 373 A CB -0.550 18.449 19.000 -0.002 0.000 0.992 373 A HN 0.365 nan 8.150 nan 0.000 0.502 374 G N 0.001 108.803 108.800 0.003 0.000 2.403 374 G HA2 0.376 4.336 3.960 0.000 0.000 0.216 374 G HA3 0.376 4.336 3.960 0.000 0.000 0.216 374 G C 1.164 176.065 174.900 0.001 0.000 1.154 374 G CA 0.760 45.861 45.100 0.001 0.000 0.784 374 G HN 1.695 nan 8.290 nan 0.000 0.538 375 G N -1.703 107.100 108.800 0.004 0.000 2.741 375 G HA2 0.042 4.002 3.960 0.000 0.000 0.222 375 G HA3 0.042 4.002 3.960 0.000 0.000 0.222 375 G C -0.675 174.224 174.900 -0.001 0.000 1.364 375 G CA -0.309 44.792 45.100 0.002 0.000 0.866 375 G HN 1.068 nan 8.290 nan 0.000 0.555 376 V N 0.131 120.042 119.914 -0.005 0.000 2.638 376 V HA 0.756 4.876 4.120 0.000 0.000 0.306 376 V C 0.757 176.843 176.094 -0.014 0.000 1.052 376 V CA -0.161 62.132 62.300 -0.012 0.000 0.885 376 V CB 1.362 33.177 31.823 -0.014 0.000 0.999 376 V HN 2.167 nan 8.190 nan 0.000 0.424 377 A N 4.044 126.853 122.820 -0.018 0.000 2.366 377 A HA 0.716 5.036 4.320 0.000 0.000 0.272 377 A C -0.403 177.168 177.584 -0.021 0.000 1.135 377 A CA -0.266 51.760 52.037 -0.018 0.000 0.804 377 A CB 0.622 19.610 19.000 -0.020 0.000 1.064 377 A HN 0.870 nan 8.150 nan 0.000 0.499 378 V N 5.050 124.953 119.914 -0.018 0.000 2.380 378 V HA 0.256 4.376 4.120 0.000 0.000 0.286 378 V C -0.215 175.869 176.094 -0.017 0.000 1.015 378 V CA -0.132 62.156 62.300 -0.019 0.000 0.834 378 V CB 0.886 32.698 31.823 -0.017 0.000 1.009 378 V HN 0.757 nan 8.190 nan 0.000 0.428 379 I N 4.548 125.107 120.570 -0.019 0.000 2.395 379 I HA 0.349 4.519 4.170 0.000 0.000 0.289 379 I C 0.374 176.483 176.117 -0.014 0.000 1.023 379 I CA -0.185 61.106 61.300 -0.016 0.000 1.350 379 I CB 0.920 38.910 38.000 -0.018 0.000 1.409 379 I HN 0.475 nan 8.210 nan 0.000 0.507 380 K N 6.059 126.453 120.400 -0.011 0.000 2.473 380 K HA 0.387 4.707 4.320 0.000 0.000 0.246 380 K C -0.870 175.726 176.600 -0.008 0.000 1.011 380 K CA -0.622 55.659 56.287 -0.010 0.000 0.984 380 K CB 1.730 34.224 32.500 -0.009 0.000 1.250 380 K HN 0.331 nan 8.250 nan 0.000 0.454 381 V N 2.203 122.112 119.914 -0.007 0.000 2.673 381 V HA 0.112 4.232 4.120 0.000 0.000 0.303 381 V C 0.911 177.002 176.094 -0.005 0.000 1.046 381 V CA 0.183 62.480 62.300 -0.006 0.000 1.126 381 V CB 0.970 32.790 31.823 -0.004 0.000 0.934 381 V HN 0.883 nan 8.190 nan 0.000 0.487 382 G N 2.632 111.429 108.800 -0.004 0.000 2.481 382 G HA2 0.871 4.831 3.960 0.000 0.000 0.315 382 G HA3 0.871 4.831 3.960 0.000 0.000 0.315 382 G C -0.773 174.125 174.900 -0.003 0.000 1.231 382 G CA -0.003 45.095 45.100 -0.004 0.000 0.968 382 G HN 1.210 nan 8.290 nan 0.000 0.482 383 A N -0.577 122.241 122.820 -0.003 0.000 2.536 383 A HA 0.831 5.151 4.320 0.000 0.000 0.293 383 A C 0.921 178.504 177.584 -0.003 0.000 1.119 383 A CA 0.472 52.508 52.037 -0.003 0.000 0.654 383 A CB 0.454 19.453 19.000 -0.002 0.000 1.291 383 A HN 1.892 nan 8.150 nan 0.000 0.439 384 A N -0.366 122.453 122.820 -0.002 0.000 1.855 384 A HA 0.373 4.693 4.320 0.000 0.000 0.215 384 A C 1.374 178.957 177.584 -0.002 0.000 1.191 384 A CA 2.548 54.584 52.037 -0.002 0.000 0.613 384 A CB -0.800 18.199 19.000 -0.002 0.000 0.829 384 A HN 2.171 nan 8.150 nan 0.000 0.442 385 T N -4.331 110.222 114.554 -0.002 0.000 2.924 385 T HA 0.463 4.813 4.350 0.000 0.000 0.291 385 T C 0.522 175.221 174.700 -0.002 0.000 1.045 385 T CA 0.094 62.193 62.100 -0.002 0.000 1.015 385 T CB 1.914 70.781 68.868 -0.001 0.000 1.103 385 T HN 0.322 nan 8.240 nan 0.000 0.496 386 E N 0.313 120.512 120.200 -0.002 0.000 2.130 386 E HA -0.156 4.194 4.350 0.000 0.000 0.196 386 E C 1.699 178.298 176.600 -0.001 0.000 0.998 386 E CA 1.450 57.849 56.400 -0.001 0.000 0.806 386 E CB -0.166 29.533 29.700 -0.001 0.000 0.738 386 E HN 0.562 nan 8.360 nan 0.000 0.459 387 V N 1.353 121.267 119.914 -0.001 0.000 2.229 387 V HA -0.255 3.866 4.120 0.000 0.000 0.243 387 V C 2.168 178.262 176.094 -0.001 0.000 1.042 387 V CA 2.227 64.527 62.300 -0.001 0.000 1.000 387 V CB -0.715 31.107 31.823 -0.001 0.000 0.637 387 V HN 0.292 nan 8.190 nan 0.000 0.446 388 E N -0.134 120.065 120.200 -0.001 0.000 2.086 388 E HA -0.318 4.032 4.350 0.000 0.000 0.200 388 E C 2.193 178.792 176.600 -0.001 0.000 1.012 388 E CA 1.841 58.240 56.400 -0.001 0.000 0.812 388 E CB -0.326 29.373 29.700 -0.002 0.000 0.743 388 E HN 0.444 nan 8.360 nan 0.000 0.453 389 M N 1.124 120.723 119.600 -0.001 0.000 2.086 389 M HA -0.163 4.317 4.480 0.000 0.000 0.261 389 M C 1.746 178.045 176.300 -0.001 0.000 1.067 389 M CA 1.627 56.926 55.300 -0.001 0.000 1.116 389 M CB -0.231 32.367 32.600 -0.002 0.000 1.348 389 M HN -0.121 nan 8.290 nan 0.000 0.407 390 K N 0.192 120.592 120.400 -0.000 0.000 2.147 390 K HA -0.142 4.178 4.320 0.000 0.000 0.205 390 K C 1.961 178.561 176.600 0.002 0.000 1.049 390 K CA 0.941 57.228 56.287 0.001 0.000 0.936 390 K CB -0.447 32.054 32.500 0.001 0.000 0.722 390 K HN 0.432 nan 8.250 nan 0.000 0.446 391 E N 1.470 121.671 120.200 0.001 0.000 2.028 391 E HA -0.155 4.195 4.350 0.000 0.000 0.190 391 E C 1.966 178.567 176.600 0.002 0.000 0.984 391 E CA 1.143 57.544 56.400 0.001 0.000 0.800 391 E CB 0.073 29.773 29.700 0.000 0.000 0.758 391 E HN 0.195 nan 8.360 nan 0.000 0.448 392 K N 1.102 121.502 120.400 0.001 0.000 2.032 392 K HA -0.195 4.125 4.320 0.000 0.000 0.209 392 K C 2.275 178.877 176.600 0.002 0.000 1.048 392 K CA 1.902 58.189 56.287 0.001 0.000 0.927 392 K CB -0.197 32.303 32.500 -0.001 0.000 0.712 392 K HN -0.080 nan 8.250 nan 0.000 0.441 393 K N 0.016 120.417 120.400 0.002 0.000 2.218 393 K HA -0.170 4.150 4.320 0.000 0.000 0.205 393 K C 1.738 178.342 176.600 0.007 0.000 1.046 393 K CA 1.264 57.552 56.287 0.003 0.000 0.933 393 K CB -0.131 32.370 32.500 0.001 0.000 0.728 393 K HN 0.274 nan 8.250 nan 0.000 0.454 394 A N 1.299 124.124 122.820 0.009 0.000 1.872 394 A HA -0.067 4.253 4.320 0.000 0.000 0.214 394 A C 2.079 179.673 177.584 0.017 0.000 1.187 394 A CA 1.056 53.101 52.037 0.014 0.000 0.614 394 A CB -0.392 18.613 19.000 0.009 0.000 0.826 394 A HN 0.307 nan 8.150 nan 0.000 0.442 395 R N -0.543 119.964 120.500 0.012 0.000 2.091 395 R HA -0.107 4.233 4.340 0.000 0.000 0.238 395 R C 2.034 178.343 176.300 0.015 0.000 1.136 395 R CA 1.544 57.651 56.100 0.012 0.000 0.959 395 R CB -0.558 29.746 30.300 0.006 0.000 0.856 395 R HN 0.386 nan 8.270 nan 0.000 0.437 396 V N 1.031 120.951 119.914 0.010 0.000 2.343 396 V HA -0.234 3.886 4.120 0.000 0.000 0.247 396 V C 2.013 178.114 176.094 0.011 0.000 1.051 396 V CA 1.782 64.085 62.300 0.006 0.000 1.036 396 V CB -0.419 31.403 31.823 -0.001 0.000 0.654 396 V HN 0.356 nan 8.190 nan 0.000 0.451 397 E N -0.326 119.886 120.200 0.021 0.000 2.160 397 E HA -0.232 4.118 4.350 0.000 0.000 0.195 397 E C 1.904 178.563 176.600 0.098 0.000 0.991 397 E CA 1.409 57.833 56.400 0.039 0.000 0.810 397 E CB -0.069 29.661 29.700 0.050 0.000 0.742 397 E HN 0.645 nan 8.360 nan 0.000 0.466 398 D N -0.227 120.224 120.400 0.085 0.000 2.162 398 D HA -0.042 4.598 4.640 0.000 0.000 0.205 398 D C 1.885 178.244 176.300 0.098 0.000 0.964 398 D CA 0.928 54.993 54.000 0.107 0.000 0.847 398 D CB -0.042 40.790 40.800 0.053 0.000 0.988 398 D HN 0.117 nan 8.370 nan 0.000 0.480 399 A N 1.169 124.021 122.820 0.052 0.000 1.972 399 A HA -0.138 4.182 4.320 0.000 0.000 0.219 399 A C 2.142 179.744 177.584 0.029 0.000 1.169 399 A CA 0.802 52.860 52.037 0.035 0.000 0.635 399 A CB -0.616 18.394 19.000 0.017 0.000 0.810 399 A HN 0.199 nan 8.150 nan 0.000 0.446 400 L N -1.220 120.008 121.223 0.008 0.000 2.265 400 L HA -0.130 4.210 4.340 0.000 0.000 0.215 400 L C 2.192 179.021 176.870 -0.068 0.000 1.117 400 L CA 1.732 56.545 54.840 -0.045 0.000 0.782 400 L CB -0.542 41.465 42.059 -0.088 0.000 0.914 400 L HN 0.486 nan 8.230 nan 0.000 0.441 401 H N -1.234 117.834 119.070 -0.003 0.000 2.355 401 H HA 0.170 4.726 4.556 0.000 0.000 0.303 401 H C 2.109 177.437 175.328 0.001 0.000 1.061 401 H CA 1.164 57.212 56.048 -0.002 0.000 1.368 401 H CB -0.030 29.731 29.762 -0.002 0.000 1.412 401 H HN 0.413 nan 8.280 nan 0.000 0.523 402 A N 0.288 123.192 122.820 0.140 0.000 1.933 402 A HA -0.162 4.158 4.320 0.000 0.000 0.218 402 A C 2.595 180.209 177.584 0.050 0.000 1.175 402 A CA 2.089 54.171 52.037 0.075 0.000 0.628 402 A CB -0.944 18.086 19.000 0.049 0.000 0.814 402 A HN 0.379 nan 8.150 nan 0.000 0.444 403 T N -0.415 114.161 114.554 0.037 0.000 2.652 403 T HA -0.159 4.191 4.350 0.000 0.000 0.267 403 T C 2.061 176.771 174.700 0.016 0.000 1.039 403 T CA 1.451 63.562 62.100 0.018 0.000 1.153 403 T CB -0.261 68.609 68.868 0.004 0.000 0.863 403 T HN 0.398 nan 8.240 nan 0.000 0.428 404 R N 0.743 121.251 120.500 0.014 0.000 2.193 404 R HA 0.058 4.398 4.340 0.000 0.000 0.229 404 R C 2.421 178.739 176.300 0.030 0.000 1.110 404 R CA 1.038 57.145 56.100 0.012 0.000 0.988 404 R CB -0.414 29.884 30.300 -0.004 0.000 0.871 404 R HN 0.388 nan 8.270 nan 0.000 0.458 405 A N 0.054 122.901 122.820 0.044 0.000 2.123 405 A HA 0.146 4.466 4.320 0.000 0.000 0.214 405 A C 2.052 179.654 177.584 0.030 0.000 1.152 405 A CA 1.090 53.153 52.037 0.044 0.000 0.728 405 A CB 0.032 19.064 19.000 0.054 0.000 0.814 405 A HN 0.306 nan 8.150 nan 0.000 0.464 406 A N -0.876 121.959 122.820 0.025 0.000 1.956 406 A HA 0.237 4.557 4.320 0.000 0.000 0.212 406 A C 1.963 179.556 177.584 0.015 0.000 1.188 406 A CA 1.062 53.110 52.037 0.019 0.000 0.675 406 A CB -0.481 18.528 19.000 0.016 0.000 0.845 406 A HN 0.248 nan 8.150 nan 0.000 0.455 407 V N 0.521 120.443 119.914 0.014 0.000 2.594 407 V HA -0.229 3.891 4.120 0.000 0.000 0.253 407 V C 2.308 178.409 176.094 0.012 0.000 1.069 407 V CA 2.240 64.546 62.300 0.010 0.000 1.082 407 V CB -0.606 31.221 31.823 0.007 0.000 0.680 407 V HN 0.613 nan 8.190 nan 0.000 0.469 408 E N -0.304 119.906 120.200 0.015 0.000 2.042 408 E HA -0.077 4.273 4.350 0.000 0.000 0.189 408 E C 1.555 178.164 176.600 0.015 0.000 0.974 408 E CA 0.990 57.400 56.400 0.016 0.000 0.806 408 E CB 0.085 29.797 29.700 0.021 0.000 0.769 408 E HN 0.625 nan 8.360 nan 0.000 0.451 409 E N -0.357 119.853 120.200 0.017 0.000 2.630 409 E HA 0.235 4.585 4.350 0.000 0.000 0.218 409 E C 0.104 176.712 176.600 0.014 0.000 0.977 409 E CA 0.057 56.466 56.400 0.014 0.000 1.038 409 E CB 1.622 31.331 29.700 0.015 0.000 1.051 409 E HN 0.244 nan 8.360 nan 0.000 0.487 410 G N 1.176 109.985 108.800 0.014 0.000 2.760 410 G HA2 -0.203 3.757 3.960 0.000 0.000 0.246 410 G HA3 -0.203 3.757 3.960 0.000 0.000 0.246 410 G C -0.355 174.554 174.900 0.014 0.000 1.359 410 G CA -0.440 44.667 45.100 0.013 0.000 0.861 410 G HN 0.513 nan 8.290 nan 0.000 0.541 411 V N -2.105 117.816 119.914 0.013 0.000 3.001 411 V HA 0.994 5.114 4.120 0.000 0.000 0.314 411 V C 0.519 176.621 176.094 0.013 0.000 1.099 411 V CA 0.383 62.691 62.300 0.013 0.000 0.989 411 V CB 1.567 33.396 31.823 0.011 0.000 1.040 411 V HN 2.537 nan 8.190 nan 0.000 0.434 412 V N -0.194 119.727 119.914 0.012 0.000 3.167 412 V HA 1.009 5.129 4.120 0.000 0.000 0.310 412 V C 0.392 176.491 176.094 0.009 0.000 1.207 412 V CA -0.708 61.599 62.300 0.013 0.000 1.059 412 V CB 1.194 33.026 31.823 0.015 0.000 1.079 412 V HN 2.180 nan 8.190 nan 0.000 0.446 413 A N 0.681 123.508 122.820 0.011 0.000 2.520 413 A HA 0.651 4.971 4.320 0.000 0.000 0.245 413 A C 0.907 178.489 177.584 -0.002 0.000 1.072 413 A CA 0.647 52.686 52.037 0.003 0.000 0.761 413 A CB -0.475 18.530 19.000 0.008 0.000 1.004 413 A HN 1.974 nan 8.150 nan 0.000 0.499 414 G N 1.087 109.880 108.800 -0.013 0.000 2.624 414 G HA2 0.474 4.434 3.960 0.000 0.000 0.217 414 G HA3 0.474 4.434 3.960 0.000 0.000 0.217 414 G C 1.201 176.089 174.900 -0.020 0.000 1.506 414 G CA 0.043 45.134 45.100 -0.015 0.000 1.072 414 G HN 2.201 nan 8.290 nan 0.000 0.568 415 G N -1.551 107.233 108.800 -0.025 0.000 2.337 415 G HA2 0.181 4.141 3.960 0.000 0.000 0.290 415 G HA3 0.181 4.141 3.960 0.000 0.000 0.290 415 G C 1.544 176.442 174.900 -0.003 0.000 1.003 415 G CA 1.437 46.522 45.100 -0.024 0.000 0.825 415 G HN 2.403 nan 8.290 nan 0.000 0.509 416 G N -2.577 106.223 108.800 0.001 0.000 2.189 416 G HA2 -0.159 3.801 3.960 0.000 0.000 0.267 416 G HA3 -0.159 3.801 3.960 0.000 0.000 0.267 416 G C 1.829 176.737 174.900 0.014 0.000 0.975 416 G CA 1.946 47.051 45.100 0.009 0.000 0.644 416 G HN 2.177 nan 8.290 nan 0.000 0.537 417 V N -2.000 117.920 119.914 0.011 0.000 2.453 417 V HA 0.349 4.469 4.120 0.000 0.000 0.247 417 V C 2.897 179.006 176.094 0.025 0.000 1.048 417 V CA 1.928 64.240 62.300 0.019 0.000 1.049 417 V CB -1.039 30.792 31.823 0.012 0.000 0.672 417 V HN 1.465 nan 8.190 nan 0.000 0.457 418 A N 1.027 123.858 122.820 0.019 0.000 1.927 418 A HA -0.178 4.142 4.320 0.000 0.000 0.220 418 A C 2.249 179.847 177.584 0.023 0.000 1.185 418 A CA 2.629 54.679 52.037 0.022 0.000 0.639 418 A CB -0.777 18.233 19.000 0.017 0.000 0.820 418 A HN 0.632 nan 8.150 nan 0.000 0.451 419 L N -1.298 119.937 121.223 0.020 0.000 2.044 419 L HA -0.049 4.291 4.340 0.000 0.000 0.205 419 L C 2.494 179.377 176.870 0.022 0.000 1.075 419 L CA 1.253 56.105 54.840 0.019 0.000 0.747 419 L CB -0.375 41.694 42.059 0.017 0.000 0.903 419 L HN 0.443 nan 8.230 nan 0.000 0.435 420 I N -0.146 120.439 120.570 0.025 0.000 2.335 420 I HA -0.323 3.847 4.170 0.000 0.000 0.251 420 I C 2.783 178.922 176.117 0.036 0.000 1.129 420 I CA 1.010 62.328 61.300 0.029 0.000 1.402 420 I CB 0.032 38.050 38.000 0.031 0.000 1.069 420 I HN 0.222 nan 8.210 nan 0.000 0.424 421 R N 0.305 120.830 120.500 0.041 0.000 2.057 421 R HA -0.102 4.238 4.340 0.000 0.000 0.229 421 R C 2.061 178.382 176.300 0.035 0.000 1.136 421 R CA 2.052 58.181 56.100 0.048 0.000 0.952 421 R CB -1.078 29.255 30.300 0.054 0.000 0.848 421 R HN 0.193 nan 8.270 nan 0.000 0.430 422 V N 1.237 121.168 119.914 0.029 0.000 2.380 422 V HA -0.283 3.837 4.120 0.000 0.000 0.251 422 V C 2.309 178.415 176.094 0.019 0.000 1.063 422 V CA 2.079 64.392 62.300 0.022 0.000 1.055 422 V CB -0.888 30.946 31.823 0.017 0.000 0.657 422 V HN 0.601 nan 8.190 nan 0.000 0.455 423 A N 0.293 123.125 122.820 0.020 0.000 1.873 423 A HA -0.182 4.138 4.320 0.000 0.000 0.215 423 A C 2.511 180.106 177.584 0.018 0.000 1.186 423 A CA 2.047 54.094 52.037 0.017 0.000 0.616 423 A CB -0.816 18.195 19.000 0.017 0.000 0.823 423 A HN 0.706 nan 8.150 nan 0.000 0.442 424 S N -0.367 115.347 115.700 0.023 0.000 2.469 424 S HA -0.097 4.373 4.470 0.000 0.000 0.238 424 S C 1.586 176.198 174.600 0.020 0.000 0.998 424 S CA 1.455 59.669 58.200 0.023 0.000 0.957 424 S CB -0.304 62.915 63.200 0.031 0.000 0.764 424 S HN 0.567 nan 8.310 nan 0.000 0.514 425 K N 0.329 120.741 120.400 0.019 0.000 2.418 425 K HA 0.294 4.614 4.320 0.000 0.000 0.195 425 K C 0.637 177.244 176.600 0.012 0.000 1.035 425 K CA 0.387 56.683 56.287 0.016 0.000 1.003 425 K CB -0.047 32.463 32.500 0.017 0.000 0.793 425 K HN 0.423 nan 8.250 nan 0.000 0.494 426 L N -0.309 120.920 121.223 0.011 0.000 3.066 426 L HA 0.254 4.594 4.340 0.000 0.000 0.265 426 L C 1.433 178.308 176.870 0.007 0.000 1.232 426 L CA -0.268 54.577 54.840 0.008 0.000 1.031 426 L CB 0.594 42.657 42.059 0.007 0.000 1.379 426 L HN 0.008 nan 8.230 nan 0.000 0.563 427 A N -0.140 122.685 122.820 0.008 0.000 2.019 427 A HA -0.194 4.126 4.320 0.000 0.000 0.219 427 A C 1.677 179.264 177.584 0.005 0.000 1.164 427 A CA 1.787 53.828 52.037 0.007 0.000 0.644 427 A CB -0.191 18.813 19.000 0.007 0.000 0.805 427 A HN 0.342 nan 8.150 nan 0.000 0.449 428 D N -1.033 119.370 120.400 0.005 0.000 2.234 428 D HA 0.051 4.691 4.640 0.000 0.000 0.205 428 D C 0.673 176.975 176.300 0.003 0.000 0.962 428 D CA 0.002 54.004 54.000 0.003 0.000 0.855 428 D CB -0.272 40.530 40.800 0.003 0.000 0.951 428 D HN 0.336 nan 8.370 nan 0.000 0.500 429 L N 1.564 122.789 121.223 0.003 0.000 2.559 429 L HA 0.054 4.394 4.340 0.000 0.000 0.282 429 L C 0.201 177.073 176.870 0.002 0.000 1.232 429 L CA 0.760 55.602 54.840 0.003 0.000 0.885 429 L CB 0.024 42.085 42.059 0.003 0.000 1.131 429 L HN -0.113 nan 8.230 nan 0.000 0.498 430 R N 2.859 123.360 120.500 0.002 0.000 2.831 430 R HA 0.773 5.113 4.340 0.000 0.000 0.266 430 R C -0.366 175.935 176.300 0.001 0.000 1.051 430 R CA -0.333 55.768 56.100 0.002 0.000 0.943 430 R CB 1.381 31.682 30.300 0.001 0.000 1.228 430 R HN 0.815 nan 8.270 nan 0.000 0.467 431 G N -0.597 108.204 108.800 0.001 0.000 3.176 431 G HA2 0.240 4.200 3.960 0.000 0.000 0.272 431 G HA3 0.240 4.200 3.960 0.000 0.000 0.272 431 G C -0.040 174.860 174.900 0.001 0.000 1.349 431 G CA -0.333 44.768 45.100 0.001 0.000 0.953 431 G HN 0.382 nan 8.290 nan 0.000 0.559 432 Q N -0.664 119.137 119.800 0.001 0.000 2.291 432 Q HA -0.007 4.333 4.340 0.000 0.000 0.205 432 Q C 0.283 176.284 176.000 0.001 0.000 0.970 432 Q CA 1.408 57.211 55.803 0.001 0.000 0.876 432 Q CB -0.066 28.672 28.738 0.001 0.000 0.935 432 Q HN 0.601 nan 8.270 nan 0.000 0.455 433 N N -2.767 115.934 118.700 0.001 0.000 3.020 433 N HA 0.033 4.773 4.740 0.000 0.000 0.248 433 N C -0.230 175.281 175.510 0.001 0.000 1.480 433 N CA -0.515 52.536 53.050 0.001 0.000 0.874 433 N CB 0.552 39.040 38.487 0.001 0.000 1.433 433 N HN -0.306 nan 8.380 nan 0.000 0.530 434 E N -0.200 120.000 120.200 0.001 0.000 2.085 434 E HA -0.176 4.174 4.350 0.000 0.000 0.194 434 E C 0.486 177.087 176.600 0.002 0.000 0.994 434 E CA 1.797 58.198 56.400 0.001 0.000 0.801 434 E CB -0.274 29.427 29.700 0.001 0.000 0.743 434 E HN 0.593 nan 8.360 nan 0.000 0.453 435 D N 0.058 120.459 120.400 0.002 0.000 2.087 435 D HA -0.188 4.452 4.640 0.000 0.000 0.192 435 D C 1.980 178.282 176.300 0.003 0.000 0.993 435 D CA 1.208 55.209 54.000 0.003 0.000 0.828 435 D CB -0.396 40.405 40.800 0.003 0.000 0.968 435 D HN 0.336 nan 8.370 nan 0.000 0.448 436 Q N 0.183 119.984 119.800 0.002 0.000 2.152 436 Q HA -0.164 4.176 4.340 0.000 0.000 0.206 436 Q C 1.929 177.930 176.000 0.002 0.000 0.985 436 Q CA 0.978 56.782 55.803 0.002 0.000 0.863 436 Q CB -0.026 28.713 28.738 0.002 0.000 0.904 436 Q HN 0.255 nan 8.270 nan 0.000 0.422 437 N N -0.238 118.464 118.700 0.002 0.000 2.104 437 N HA -0.138 4.602 4.740 0.000 0.000 0.190 437 N C 1.829 177.341 175.510 0.003 0.000 1.024 437 N CA 1.125 54.176 53.050 0.002 0.000 0.853 437 N CB -0.350 38.138 38.487 0.002 0.000 1.008 437 N HN 0.071 nan 8.380 nan 0.000 0.424 438 V N 1.076 120.991 119.914 0.003 0.000 2.295 438 V HA -0.176 3.944 4.120 0.000 0.000 0.246 438 V C 2.498 178.594 176.094 0.004 0.000 1.049 438 V CA 2.023 64.325 62.300 0.003 0.000 1.024 438 V CB -1.317 30.508 31.823 0.003 0.000 0.648 438 V HN 0.343 nan 8.190 nan 0.000 0.447 439 G N -0.045 108.757 108.800 0.004 0.000 2.513 439 G HA2 -0.299 3.661 3.960 0.000 0.000 0.219 439 G HA3 -0.299 3.661 3.960 0.000 0.000 0.219 439 G C 1.517 176.419 174.900 0.004 0.000 1.160 439 G CA 1.456 46.558 45.100 0.004 0.000 0.767 439 G HN 0.438 nan 8.290 nan 0.000 0.571 440 I N 0.703 121.275 120.570 0.003 0.000 2.090 440 I HA -0.081 4.089 4.170 0.000 0.000 0.236 440 I C 2.639 178.758 176.117 0.004 0.000 1.064 440 I CA 1.264 62.566 61.300 0.003 0.000 1.324 440 I CB -0.149 37.853 38.000 0.003 0.000 1.044 440 I HN -0.053 nan 8.210 nan 0.000 0.399 441 K N 0.167 120.569 120.400 0.004 0.000 2.218 441 K HA -0.119 4.201 4.320 0.000 0.000 0.205 441 K C 2.160 178.763 176.600 0.005 0.000 1.046 441 K CA 1.072 57.362 56.287 0.005 0.000 0.933 441 K CB -0.756 31.747 32.500 0.004 0.000 0.728 441 K HN 0.239 nan 8.250 nan 0.000 0.454 442 V N 1.228 121.145 119.914 0.005 0.000 2.270 442 V HA -0.213 3.907 4.120 0.000 0.000 0.245 442 V C 2.451 178.549 176.094 0.007 0.000 1.043 442 V CA 1.866 64.169 62.300 0.006 0.000 1.014 442 V CB -0.679 31.147 31.823 0.006 0.000 0.645 442 V HN 0.299 nan 8.190 nan 0.000 0.447 443 A N -0.183 122.640 122.820 0.006 0.000 1.883 443 A HA -0.196 4.124 4.320 0.000 0.000 0.217 443 A C 2.193 179.781 177.584 0.008 0.000 1.186 443 A CA 1.996 54.037 52.037 0.007 0.000 0.624 443 A CB -0.605 18.398 19.000 0.005 0.000 0.822 443 A HN 0.507 nan 8.150 nan 0.000 0.444 444 L N -1.405 119.822 121.223 0.007 0.000 2.017 444 L HA -0.197 4.143 4.340 0.000 0.000 0.208 444 L C 2.824 179.700 176.870 0.009 0.000 1.073 444 L CA 1.870 56.715 54.840 0.008 0.000 0.745 444 L CB -0.611 41.453 42.059 0.008 0.000 0.894 444 L HN 0.440 nan 8.230 nan 0.000 0.432 445 R N 0.271 120.776 120.500 0.008 0.000 2.091 445 R HA -0.204 4.136 4.340 0.000 0.000 0.238 445 R C 2.342 178.647 176.300 0.009 0.000 1.136 445 R CA 1.587 57.692 56.100 0.008 0.000 0.959 445 R CB -0.246 30.058 30.300 0.007 0.000 0.856 445 R HN 0.380 nan 8.270 nan 0.000 0.437 446 A N 0.563 123.389 122.820 0.009 0.000 1.933 446 A HA -0.154 4.166 4.320 0.000 0.000 0.218 446 A C 2.066 179.657 177.584 0.011 0.000 1.175 446 A CA 1.418 53.461 52.037 0.010 0.000 0.628 446 A CB -0.394 18.612 19.000 0.011 0.000 0.814 446 A HN 0.347 nan 8.150 nan 0.000 0.444 447 M N -0.466 119.141 119.600 0.012 0.000 2.706 447 M HA -0.128 4.352 4.480 0.000 0.000 0.251 447 M C 1.293 177.602 176.300 0.014 0.000 1.070 447 M CA 1.003 56.310 55.300 0.013 0.000 1.073 447 M CB -0.240 32.368 32.600 0.013 0.000 1.449 447 M HN 0.483 nan 8.290 nan 0.000 0.531 448 E N -0.185 120.023 120.200 0.012 0.000 2.415 448 E HA 0.068 4.418 4.350 0.000 0.000 0.197 448 E C 2.061 178.667 176.600 0.010 0.000 1.007 448 E CA 0.347 56.754 56.400 0.012 0.000 0.890 448 E CB 0.138 29.845 29.700 0.010 0.000 0.891 448 E HN 0.485 nan 8.360 nan 0.000 0.496 449 A N 2.581 125.406 122.820 0.010 0.000 1.859 449 A HA -0.194 4.126 4.320 0.000 0.000 0.218 449 A C -0.352 177.237 177.584 0.009 0.000 1.209 449 A CA 1.681 53.723 52.037 0.009 0.000 0.639 449 A CB -1.710 17.296 19.000 0.009 0.000 0.835 449 A HN 0.122 nan 8.150 nan 0.000 0.450 450 P HA -0.215 nan 4.420 nan 0.000 0.216 450 P C 1.838 179.145 177.300 0.012 0.000 1.167 450 P CA 1.378 64.484 63.100 0.010 0.000 0.914 450 P CB -0.164 31.543 31.700 0.011 0.000 0.793 451 L N -1.041 120.190 121.223 0.013 0.000 1.994 451 L HA -0.183 4.157 4.340 0.000 0.000 0.208 451 L C 2.534 179.412 176.870 0.013 0.000 1.071 451 L CA 1.716 56.566 54.840 0.017 0.000 0.745 451 L CB -0.340 41.729 42.059 0.016 0.000 0.892 451 L HN -0.171 nan 8.230 nan 0.000 0.431 452 R N -0.754 119.750 120.500 0.006 0.000 2.170 452 R HA -0.260 4.080 4.340 0.000 0.000 0.242 452 R C 2.214 178.517 176.300 0.005 0.000 1.145 452 R CA 1.772 57.872 56.100 -0.000 0.000 0.984 452 R CB -0.198 30.102 30.300 -0.000 0.000 0.869 452 R HN 0.419 nan 8.270 nan 0.000 0.455 453 Q N 0.793 120.598 119.800 0.008 0.000 2.062 453 Q HA -0.020 4.320 4.340 0.000 0.000 0.196 453 Q C 1.816 177.824 176.000 0.013 0.000 0.967 453 Q CA 1.334 57.142 55.803 0.009 0.000 0.832 453 Q CB -0.021 28.722 28.738 0.007 0.000 0.899 453 Q HN 0.296 nan 8.270 nan 0.000 0.442 454 I N -0.444 120.136 120.570 0.017 0.000 2.118 454 I HA -0.313 3.857 4.170 0.000 0.000 0.241 454 I C 2.124 178.264 176.117 0.039 0.000 1.070 454 I CA 1.131 62.444 61.300 0.022 0.000 1.327 454 I CB -0.509 37.506 38.000 0.025 0.000 1.034 454 I HN 0.087 nan 8.210 nan 0.000 0.405 455 V N 0.719 120.664 119.914 0.052 0.000 2.252 455 V HA -0.310 3.810 4.120 0.000 0.000 0.249 455 V C 2.445 178.561 176.094 0.036 0.000 1.056 455 V CA 2.023 64.361 62.300 0.062 0.000 1.022 455 V CB -0.546 31.281 31.823 0.007 0.000 0.641 455 V HN 0.353 nan 8.190 nan 0.000 0.445 456 L N 0.810 122.043 121.223 0.018 0.000 2.043 456 L HA -0.194 4.146 4.340 0.000 0.000 0.212 456 L C 2.182 179.060 176.870 0.014 0.000 1.075 456 L CA 2.005 56.852 54.840 0.012 0.000 0.752 456 L CB -1.171 40.893 42.059 0.007 0.000 0.891 456 L HN 0.360 nan 8.230 nan 0.000 0.432 457 N N -1.009 117.700 118.700 0.014 0.000 2.272 457 N HA -0.156 4.584 4.740 0.000 0.000 0.185 457 N C 1.430 176.948 175.510 0.013 0.000 1.014 457 N CA 1.564 54.620 53.050 0.011 0.000 0.870 457 N CB -0.526 37.965 38.487 0.007 0.000 0.975 457 N HN 0.431 nan 8.380 nan 0.000 0.433 458 C N 0.210 119.524 119.300 0.023 0.000 2.559 458 C HA 0.333 4.793 4.460 0.000 0.000 0.300 458 C C 1.484 176.492 174.990 0.030 0.000 1.288 458 C CA -0.391 58.644 59.018 0.028 0.000 1.699 458 C CB -1.175 26.593 27.740 0.048 0.000 1.819 458 C HN 0.538 nan 8.230 nan 0.000 0.600 459 G N 1.801 110.615 108.800 0.023 0.000 2.305 459 G HA2 -0.195 3.765 3.960 0.000 0.000 0.287 459 G HA3 -0.195 3.765 3.960 0.000 0.000 0.287 459 G C 0.010 174.924 174.900 0.025 0.000 1.036 459 G CA 0.370 45.482 45.100 0.020 0.000 0.887 459 G HN 0.538 nan 8.290 nan 0.000 0.505 460 E N -0.832 119.384 120.200 0.027 0.000 2.700 460 E HA 0.594 4.944 4.350 0.000 0.000 0.253 460 E C 0.284 176.886 176.600 0.004 0.000 1.175 460 E CA -0.923 55.490 56.400 0.023 0.000 1.010 460 E CB 0.557 30.273 29.700 0.026 0.000 1.284 460 E HN 0.090 nan 8.360 nan 0.000 0.557 461 K N 1.465 121.858 120.400 -0.012 0.000 2.354 461 K HA 0.295 4.615 4.320 0.000 0.000 0.257 461 K C -2.227 174.350 176.600 -0.037 0.000 1.062 461 K CA -2.262 54.015 56.287 -0.017 0.000 0.971 461 K CB 0.851 33.344 32.500 -0.011 0.000 1.305 461 K HN 0.005 nan 8.250 nan 0.000 0.449 462 P HA -0.200 nan 4.420 nan 0.000 0.215 462 P C 0.799 178.076 177.300 -0.038 0.000 1.163 462 P CA 1.194 64.272 63.100 -0.036 0.000 0.894 462 P CB 0.324 32.014 31.700 -0.017 0.000 0.791 463 S N -0.944 114.742 115.700 -0.023 0.000 2.353 463 S HA -0.146 4.324 4.470 0.000 0.000 0.222 463 S C 1.949 176.538 174.600 -0.018 0.000 1.035 463 S CA 1.543 59.734 58.200 -0.016 0.000 1.025 463 S CB -1.245 61.950 63.200 -0.008 0.000 0.902 463 S HN -0.117 nan 8.310 nan 0.000 0.440 464 V N 1.570 121.472 119.914 -0.020 0.000 2.220 464 V HA -0.217 3.903 4.120 0.000 0.000 0.250 464 V C 2.329 178.415 176.094 -0.014 0.000 1.056 464 V CA 2.062 64.353 62.300 -0.014 0.000 1.016 464 V CB -1.051 30.765 31.823 -0.012 0.000 0.639 464 V HN 0.380 nan 8.190 nan 0.000 0.446 465 V N 0.241 120.111 119.914 -0.073 0.000 2.453 465 V HA -0.289 3.831 4.120 0.000 0.000 0.252 465 V C 2.610 178.654 176.094 -0.083 0.000 1.068 465 V CA 2.101 64.302 62.300 -0.165 0.000 1.070 465 V CB -1.278 30.269 31.823 -0.460 0.000 0.664 465 V HN 0.587 nan 8.190 nan 0.000 0.461 466 A N 0.405 123.197 122.820 -0.047 0.000 1.872 466 A HA -0.190 4.130 4.320 0.000 0.000 0.214 466 A C 2.055 179.659 177.584 0.032 0.000 1.187 466 A CA 1.881 53.914 52.037 -0.007 0.000 0.614 466 A CB -0.731 18.265 19.000 -0.008 0.000 0.826 466 A HN 0.648 nan 8.150 nan 0.000 0.442 467 N N -0.395 118.321 118.700 0.028 0.000 2.120 467 N HA -0.122 4.618 4.740 0.000 0.000 0.188 467 N C 1.644 177.194 175.510 0.067 0.000 1.024 467 N CA 1.800 54.873 53.050 0.037 0.000 0.852 467 N CB -0.302 38.196 38.487 0.019 0.000 1.003 467 N HN 0.475 nan 8.380 nan 0.000 0.424 468 T N 0.461 115.070 114.554 0.092 0.000 2.684 468 T HA -0.105 4.245 4.350 0.000 0.000 0.267 468 T C 2.130 176.992 174.700 0.270 0.000 1.036 468 T CA 1.018 63.208 62.100 0.150 0.000 1.148 468 T CB -0.476 68.509 68.868 0.194 0.000 0.863 468 T HN 0.011 nan 8.240 nan 0.000 0.436 469 V N 1.473 121.544 119.914 0.261 0.000 2.490 469 V HA -0.123 3.997 4.120 0.000 0.000 0.250 469 V C 2.374 178.599 176.094 0.218 0.000 1.061 469 V CA 1.431 63.891 62.300 0.266 0.000 1.064 469 V CB -0.519 31.381 31.823 0.129 0.000 0.670 469 V HN 0.465 nan 8.190 nan 0.000 0.461 470 K N 0.125 120.606 120.400 0.135 0.000 2.365 470 K HA -0.006 4.314 4.320 0.000 0.000 0.199 470 K C 2.127 178.777 176.600 0.083 0.000 1.045 470 K CA 0.902 57.245 56.287 0.093 0.000 0.962 470 K CB -0.240 32.295 32.500 0.058 0.000 0.759 470 K HN 0.572 nan 8.250 nan 0.000 0.469 471 G N 1.352 110.209 108.800 0.095 0.000 2.404 471 G HA2 -0.094 3.866 3.960 0.000 0.000 0.214 471 G HA3 -0.094 3.866 3.960 0.000 0.000 0.214 471 G C 0.896 175.801 174.900 0.009 0.000 1.189 471 G CA 0.572 45.697 45.100 0.041 0.000 0.789 471 G HN 0.371 nan 8.290 nan 0.000 0.533 472 G N -0.652 108.166 108.800 0.030 0.000 2.527 472 G HA2 0.387 4.347 3.960 0.000 0.000 0.279 472 G HA3 0.387 4.347 3.960 0.000 0.000 0.279 472 G C -0.890 174.026 174.900 0.027 0.000 1.374 472 G CA 0.321 45.353 45.100 -0.113 0.000 1.053 472 G HN 0.349 nan 8.290 nan 0.000 0.539 473 D N -3.654 116.765 120.400 0.030 0.000 2.583 473 D HA 0.534 5.174 4.640 0.000 0.000 0.248 473 D C 0.624 176.984 176.300 0.100 0.000 1.209 473 D CA 1.106 55.142 54.000 0.059 0.000 0.848 473 D CB 1.466 42.274 40.800 0.013 0.000 1.431 473 D HN 1.204 nan 8.370 nan 0.000 0.436 474 G N 1.607 110.456 108.800 0.082 0.000 2.514 474 G HA2 -0.283 3.677 3.960 0.000 0.000 0.265 474 G HA3 -0.283 3.677 3.960 0.000 0.000 0.265 474 G C 0.096 175.057 174.900 0.102 0.000 1.150 474 G CA 0.304 45.453 45.100 0.082 0.000 0.959 474 G HN 0.588 nan 8.290 nan 0.000 0.556 475 N N 0.113 118.877 118.700 0.106 0.000 2.376 475 N HA 0.348 5.088 4.740 0.000 0.000 0.249 475 N C -0.233 175.347 175.510 0.118 0.000 1.140 475 N CA -0.087 53.016 53.050 0.089 0.000 0.870 475 N CB 0.362 38.882 38.487 0.055 0.000 1.124 475 N HN 0.534 nan 8.380 nan 0.000 0.505 476 Y N 1.158 121.489 120.300 0.052 0.000 2.587 476 Y HA 0.419 4.969 4.550 0.000 0.000 0.344 476 Y C 0.874 176.831 175.900 0.094 0.000 1.061 476 Y CA -0.292 57.853 58.100 0.076 0.000 1.370 476 Y CB -0.238 38.270 38.460 0.080 0.000 1.163 476 Y HN 0.128 nan 8.280 nan 0.000 0.527 477 G N 4.122 112.733 108.800 -0.314 0.000 3.252 477 G HA2 0.288 4.248 3.960 0.000 0.000 0.181 477 G HA3 0.288 4.248 3.960 0.000 0.000 0.181 477 G C -2.144 172.576 174.900 -0.300 0.000 1.187 477 G CA -0.686 44.280 45.100 -0.224 0.000 0.886 477 G HN 0.481 nan 8.290 nan 0.000 0.615 478 Y N 1.164 121.244 120.300 -0.367 0.000 2.400 478 Y HA 0.424 4.974 4.550 0.000 0.000 0.335 478 Y C -0.454 175.253 175.900 -0.323 0.000 1.066 478 Y CA -1.438 56.354 58.100 -0.513 0.000 1.285 478 Y CB 0.909 38.997 38.460 -0.621 0.000 1.103 478 Y HN 0.414 nan 8.280 nan 0.000 0.490 479 N N 4.395 122.741 118.700 -0.590 0.000 2.400 479 N HA 0.072 4.812 4.740 0.000 0.000 0.278 479 N C 0.822 175.847 175.510 -0.808 0.000 1.247 479 N CA 0.929 53.684 53.050 -0.492 0.000 0.970 479 N CB 1.219 39.516 38.487 -0.316 0.000 1.312 479 N HN 0.842 nan 8.380 nan 0.000 0.488 480 A N 3.606 126.004 122.820 -0.703 0.000 2.172 480 A HA 0.015 4.335 4.320 0.000 0.000 0.216 480 A C 1.988 179.366 177.584 -0.344 0.000 1.154 480 A CA 1.294 52.947 52.037 -0.640 0.000 0.701 480 A CB -0.306 18.575 19.000 -0.199 0.000 0.789 480 A HN 0.719 nan 8.150 nan 0.000 0.465 481 A N -0.444 122.211 122.820 -0.276 0.000 2.014 481 A HA 0.053 4.373 4.320 0.000 0.000 0.218 481 A C 1.975 179.467 177.584 -0.154 0.000 1.163 481 A CA 1.926 53.863 52.037 -0.167 0.000 0.652 481 A CB -0.494 18.429 19.000 -0.129 0.000 0.808 481 A HN 0.805 nan 8.150 nan 0.000 0.449 482 T N -4.113 110.316 114.554 -0.209 0.000 3.231 482 T HA 0.380 4.730 4.350 0.000 0.000 0.292 482 T C 0.054 174.664 174.700 -0.149 0.000 1.001 482 T CA 0.563 62.576 62.100 -0.144 0.000 0.920 482 T CB -0.132 68.669 68.868 -0.111 0.000 1.140 482 T HN 0.403 nan 8.240 nan 0.000 0.525 483 E N 0.896 120.946 120.200 -0.250 0.000 2.885 483 E HA -0.222 4.128 4.350 0.000 0.000 0.267 483 E C -0.339 176.263 176.600 0.004 0.000 1.100 483 E CA 1.241 57.566 56.400 -0.125 0.000 0.779 483 E CB -1.640 28.104 29.700 0.073 0.000 1.383 483 E HN 0.802 nan 8.360 nan 0.000 0.443 484 E N -0.038 120.083 120.200 -0.131 0.000 2.176 484 E HA 0.311 4.661 4.350 0.000 0.000 0.267 484 E C -0.410 176.200 176.600 0.017 0.000 0.893 484 E CA -0.825 55.615 56.400 0.067 0.000 0.761 484 E CB 0.868 30.594 29.700 0.044 0.000 1.133 484 E HN 0.027 nan 8.360 nan 0.000 0.409 485 Y N 1.164 121.494 120.300 0.050 0.000 2.258 485 Y HA 0.485 5.035 4.550 0.000 0.000 0.345 485 Y C 1.378 177.214 175.900 -0.105 0.000 1.303 485 Y CA 0.545 58.605 58.100 -0.068 0.000 1.537 485 Y CB 0.629 39.064 38.460 -0.041 0.000 1.383 485 Y HN 0.745 nan 8.280 nan 0.000 0.606 486 G N -0.076 108.647 108.800 -0.127 0.000 2.302 486 G HA2 -0.073 3.887 3.960 0.000 0.000 0.264 486 G HA3 -0.073 3.887 3.960 0.000 0.000 0.264 486 G C -1.604 173.298 174.900 0.004 0.000 1.335 486 G CA -1.062 44.075 45.100 0.062 0.000 0.982 486 G HN 0.645 nan 8.290 nan 0.000 0.473 487 N N 0.980 119.727 118.700 0.080 0.000 2.458 487 N HA 0.238 4.978 4.740 0.000 0.000 0.270 487 N C 1.666 177.177 175.510 0.002 0.000 1.102 487 N CA -0.499 52.589 53.050 0.064 0.000 0.967 487 N CB 0.948 39.481 38.487 0.076 0.000 1.078 487 N HN 0.398 nan 8.380 nan 0.000 0.471 488 M N 3.443 123.034 119.600 -0.015 0.000 2.099 488 M HA -0.105 4.375 4.480 0.000 0.000 0.262 488 M C 1.675 177.963 176.300 -0.019 0.000 1.067 488 M CA 0.939 56.217 55.300 -0.036 0.000 1.124 488 M CB -0.603 31.974 32.600 -0.038 0.000 1.353 488 M HN 0.545 nan 8.290 nan 0.000 0.410 489 I N 0.617 121.186 120.570 -0.000 0.000 2.208 489 I HA -0.267 3.903 4.170 0.000 0.000 0.245 489 I C 1.732 177.850 176.117 0.001 0.000 1.097 489 I CA 1.630 62.931 61.300 0.002 0.000 1.363 489 I CB -1.599 36.408 38.000 0.012 0.000 1.051 489 I HN 0.225 nan 8.210 nan 0.000 0.413 490 D N 0.354 120.758 120.400 0.007 0.000 2.178 490 D HA -0.113 4.527 4.640 0.000 0.000 0.202 490 D C 2.294 178.592 176.300 -0.004 0.000 0.974 490 D CA 0.926 54.930 54.000 0.007 0.000 0.841 490 D CB -0.113 40.697 40.800 0.018 0.000 0.953 490 D HN 0.272 nan 8.370 nan 0.000 0.478 491 M N -1.089 118.502 119.600 -0.015 0.000 2.562 491 M HA 0.121 4.601 4.480 0.000 0.000 0.257 491 M C 1.036 177.317 176.300 -0.032 0.000 1.099 491 M CA 0.809 56.092 55.300 -0.029 0.000 1.099 491 M CB 0.409 32.978 32.600 -0.051 0.000 1.427 491 M HN 0.150 nan 8.290 nan 0.000 0.489 492 G N 1.833 110.618 108.800 -0.025 0.000 2.132 492 G HA2 -0.211 3.749 3.960 0.000 0.000 0.228 492 G HA3 -0.211 3.749 3.960 0.000 0.000 0.228 492 G C -0.041 174.841 174.900 -0.030 0.000 1.000 492 G CA -0.461 44.626 45.100 -0.023 0.000 0.693 492 G HN 0.467 nan 8.290 nan 0.000 0.515 493 I N 1.170 121.718 120.570 -0.036 0.000 2.388 493 I HA 0.514 4.684 4.170 0.000 0.000 0.281 493 I C 0.204 176.304 176.117 -0.029 0.000 1.046 493 I CA -0.810 60.465 61.300 -0.042 0.000 1.187 493 I CB 0.596 38.556 38.000 -0.067 0.000 1.351 493 I HN 0.240 nan 8.210 nan 0.000 0.472 494 L N 3.775 124.986 121.223 -0.019 0.000 2.403 494 L HA 0.808 5.148 4.340 0.000 0.000 0.253 494 L C -1.404 175.464 176.870 -0.004 0.000 1.045 494 L CA -0.694 54.140 54.840 -0.009 0.000 0.845 494 L CB 1.678 43.735 42.059 -0.003 0.000 1.447 494 L HN 0.034 nan 8.230 nan 0.000 0.411 495 D N -0.448 119.953 120.400 0.002 0.000 2.934 495 D HA 0.435 5.075 4.640 0.000 0.000 0.230 495 D C -2.833 173.473 176.300 0.011 0.000 1.204 495 D CA -1.131 52.873 54.000 0.006 0.000 0.873 495 D CB 2.604 43.407 40.800 0.006 0.000 1.645 495 D HN 0.367 nan 8.370 nan 0.000 0.502 496 P HA 0.029 nan 4.420 nan 0.000 0.262 496 P C 0.926 178.237 177.300 0.019 0.000 1.199 496 P CA 0.209 63.320 63.100 0.019 0.000 0.763 496 P CB 0.560 32.276 31.700 0.026 0.000 0.790 497 T N 3.070 117.634 114.554 0.017 0.000 2.680 497 T HA -0.269 4.081 4.350 0.000 0.000 0.268 497 T C 1.618 176.330 174.700 0.019 0.000 1.033 497 T CA 1.522 63.632 62.100 0.016 0.000 1.152 497 T CB -0.362 68.515 68.868 0.014 0.000 0.859 497 T HN 0.504 nan 8.240 nan 0.000 0.452 498 K N 0.770 121.184 120.400 0.023 0.000 2.152 498 K HA -0.123 4.197 4.320 0.000 0.000 0.206 498 K C 2.379 179.000 176.600 0.036 0.000 1.048 498 K CA 1.515 57.819 56.287 0.028 0.000 0.933 498 K CB -0.249 32.272 32.500 0.034 0.000 0.721 498 K HN 0.418 nan 8.250 nan 0.000 0.447 499 V N -1.417 118.517 119.914 0.034 0.000 2.535 499 V HA -0.098 4.022 4.120 0.000 0.000 0.246 499 V C 1.760 177.878 176.094 0.039 0.000 1.045 499 V CA 1.953 64.277 62.300 0.040 0.000 1.058 499 V CB -0.462 31.377 31.823 0.027 0.000 0.689 499 V HN 0.211 nan 8.190 nan 0.000 0.461 500 T N 0.678 115.249 114.554 0.027 0.000 2.746 500 T HA -0.146 4.204 4.350 0.000 0.000 0.267 500 T C 1.966 176.680 174.700 0.023 0.000 1.039 500 T CA 2.149 64.264 62.100 0.024 0.000 1.142 500 T CB -0.391 68.488 68.868 0.017 0.000 0.866 500 T HN 0.615 nan 8.240 nan 0.000 0.444 501 R N 0.916 121.426 120.500 0.016 0.000 2.083 501 R HA -0.112 4.228 4.340 0.000 0.000 0.237 501 R C 2.546 178.843 176.300 -0.005 0.000 1.137 501 R CA 1.864 57.964 56.100 0.000 0.000 0.951 501 R CB -0.406 29.890 30.300 -0.006 0.000 0.851 501 R HN 0.232 nan 8.270 nan 0.000 0.434 502 S N 0.577 116.295 115.700 0.029 0.000 2.351 502 S HA -0.169 4.301 4.470 0.000 0.000 0.220 502 S C 2.073 176.770 174.600 0.162 0.000 1.035 502 S CA 1.288 59.539 58.200 0.086 0.000 1.031 502 S CB -0.492 62.817 63.200 0.181 0.000 0.928 502 S HN 0.598 nan 8.310 nan 0.000 0.433 503 A N 1.295 124.196 122.820 0.134 0.000 1.903 503 A HA -0.177 4.143 4.320 0.000 0.000 0.219 503 A C 2.169 179.811 177.584 0.097 0.000 1.191 503 A CA 1.897 54.006 52.037 0.121 0.000 0.638 503 A CB -0.895 18.145 19.000 0.066 0.000 0.823 503 A HN 0.409 nan 8.150 nan 0.000 0.451 504 L N -0.251 121.001 121.223 0.048 0.000 1.988 504 L HA -0.198 4.142 4.340 0.000 0.000 0.207 504 L C 2.682 179.551 176.870 -0.000 0.000 1.071 504 L CA 2.413 57.266 54.840 0.022 0.000 0.744 504 L CB -0.781 41.281 42.059 0.006 0.000 0.893 504 L HN 0.517 nan 8.230 nan 0.000 0.433 505 Q N -1.467 118.297 119.800 -0.060 0.000 2.112 505 Q HA -0.272 4.068 4.340 0.000 0.000 0.206 505 Q C 2.221 178.131 176.000 -0.150 0.000 0.987 505 Q CA 2.192 57.906 55.803 -0.148 0.000 0.858 505 Q CB -0.560 28.010 28.738 -0.281 0.000 0.905 505 Q HN 0.518 nan 8.270 nan 0.000 0.420 506 Y N 0.536 120.836 120.300 0.000 0.000 2.163 506 Y HA -0.166 4.384 4.550 0.000 0.000 0.288 506 Y C 2.569 178.469 175.900 0.000 0.000 1.136 506 Y CA 0.920 59.019 58.100 -0.000 0.000 1.147 506 Y CB -0.867 37.591 38.460 -0.002 0.000 0.987 506 Y HN 0.132 nan 8.280 nan 0.000 0.509 507 A N 0.141 123.059 122.820 0.164 0.000 1.892 507 A HA -0.220 4.100 4.320 0.000 0.000 0.218 507 A C 2.465 180.086 177.584 0.062 0.000 1.188 507 A CA 2.300 54.392 52.037 0.092 0.000 0.631 507 A CB -1.376 17.662 19.000 0.063 0.000 0.822 507 A HN 0.415 nan 8.150 nan 0.000 0.447 508 A N -1.056 121.789 122.820 0.041 0.000 2.019 508 A HA -0.079 4.241 4.320 0.000 0.000 0.219 508 A C 2.418 180.017 177.584 0.024 0.000 1.164 508 A CA 2.137 54.187 52.037 0.021 0.000 0.644 508 A CB -0.847 18.153 19.000 0.001 0.000 0.805 508 A HN 0.563 nan 8.150 nan 0.000 0.449 509 S N -0.857 114.865 115.700 0.038 0.000 2.344 509 S HA -0.149 4.321 4.470 0.000 0.000 0.217 509 S C 2.012 176.643 174.600 0.050 0.000 1.033 509 S CA 1.741 59.967 58.200 0.043 0.000 1.017 509 S CB -0.650 62.597 63.200 0.078 0.000 0.941 509 S HN 0.657 nan 8.310 nan 0.000 0.430 510 V N 2.046 122.000 119.914 0.066 0.000 2.343 510 V HA -0.063 4.057 4.120 0.000 0.000 0.247 510 V C 2.548 178.662 176.094 0.035 0.000 1.051 510 V CA 2.238 64.568 62.300 0.049 0.000 1.036 510 V CB -1.254 30.598 31.823 0.048 0.000 0.654 510 V HN 0.585 nan 8.190 nan 0.000 0.451 511 A N 0.208 123.048 122.820 0.033 0.000 1.917 511 A HA -0.114 4.206 4.320 0.000 0.000 0.219 511 A C 2.394 179.991 177.584 0.021 0.000 1.182 511 A CA 2.250 54.302 52.037 0.025 0.000 0.633 511 A CB -1.598 17.416 19.000 0.023 0.000 0.819 511 A HN 0.717 nan 8.150 nan 0.000 0.448 512 G N -0.200 108.613 108.800 0.020 0.000 2.459 512 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 512 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 512 G C 1.571 176.482 174.900 0.018 0.000 1.183 512 G CA 1.070 46.180 45.100 0.016 0.000 0.776 512 G HN 0.440 nan 8.290 nan 0.000 0.552 513 L N -0.300 120.936 121.223 0.021 0.000 2.013 513 L HA -0.151 4.189 4.340 0.000 0.000 0.212 513 L C 3.137 180.018 176.870 0.020 0.000 1.073 513 L CA 1.471 56.324 54.840 0.021 0.000 0.753 513 L CB -0.380 41.693 42.059 0.025 0.000 0.890 513 L HN 0.248 nan 8.230 nan 0.000 0.432 514 M N -0.669 118.943 119.600 0.020 0.000 2.132 514 M HA -0.199 4.281 4.480 0.000 0.000 0.263 514 M C 2.251 178.561 176.300 0.015 0.000 1.065 514 M CA 1.728 57.038 55.300 0.018 0.000 1.122 514 M CB -0.286 32.325 32.600 0.018 0.000 1.365 514 M HN 0.186 nan 8.290 nan 0.000 0.411 515 I N -0.125 120.454 120.570 0.015 0.000 2.567 515 I HA -0.210 3.960 4.170 0.000 0.000 0.257 515 I C 1.683 177.809 176.117 0.014 0.000 1.184 515 I CA 1.360 62.668 61.300 0.013 0.000 1.451 515 I CB -0.661 37.346 38.000 0.012 0.000 1.089 515 I HN 0.399 nan 8.210 nan 0.000 0.441 516 T N -3.103 111.460 114.554 0.016 0.000 3.251 516 T HA 0.180 4.530 4.350 0.000 0.000 0.259 516 T C 0.447 175.159 174.700 0.021 0.000 0.998 516 T CA -0.335 61.776 62.100 0.018 0.000 0.905 516 T CB -0.348 68.530 68.868 0.017 0.000 1.067 516 T HN -0.067 nan 8.240 nan 0.000 0.569 517 T N 1.826 116.392 114.554 0.020 0.000 2.867 517 T HA 0.402 4.752 4.350 0.000 0.000 0.282 517 T C 0.471 175.187 174.700 0.026 0.000 1.000 517 T CA -0.598 61.514 62.100 0.020 0.000 1.042 517 T CB 1.797 70.673 68.868 0.014 0.000 0.973 517 T HN 0.075 nan 8.240 nan 0.000 0.465 518 E N 0.244 120.467 120.200 0.039 0.000 2.541 518 E HA 0.196 4.546 4.350 0.000 0.000 0.219 518 E C -0.238 176.407 176.600 0.075 0.000 0.922 518 E CA 0.072 56.517 56.400 0.075 0.000 1.095 518 E CB 0.844 30.608 29.700 0.108 0.000 1.112 518 E HN 0.559 nan 8.360 nan 0.000 0.516 519 C N 0.774 120.064 119.300 -0.016 0.000 2.891 519 C HA 0.656 5.116 4.460 0.000 0.000 0.342 519 C C -1.306 173.589 174.990 -0.158 0.000 1.126 519 C CA -0.573 58.328 59.018 -0.195 0.000 1.322 519 C CB 0.365 27.986 27.740 -0.198 0.000 1.763 519 C HN 0.121 nan 8.230 nan 0.000 0.491 520 M N 5.212 124.695 119.600 -0.194 0.000 2.321 520 M HA 0.613 5.093 4.480 0.000 0.000 0.315 520 M C -1.049 175.285 176.300 0.055 0.000 1.052 520 M CA -0.571 54.731 55.300 0.005 0.000 0.936 520 M CB 2.104 34.807 32.600 0.171 0.000 1.639 520 M HN 0.399 nan 8.290 nan 0.000 0.433 521 V N 1.602 121.538 119.914 0.036 0.000 2.531 521 V HA 0.779 4.899 4.120 0.000 0.000 0.301 521 V C -0.317 175.746 176.094 -0.052 0.000 1.034 521 V CA -0.323 61.980 62.300 0.004 0.000 0.865 521 V CB 2.119 33.925 31.823 -0.028 0.000 0.995 521 V HN 0.961 nan 8.190 nan 0.000 0.424 522 T N 2.355 116.833 114.554 -0.127 0.000 2.762 522 T HA 0.407 4.757 4.350 0.000 0.000 0.301 522 T C -1.373 173.215 174.700 -0.188 0.000 1.299 522 T CA -0.564 61.400 62.100 -0.227 0.000 1.005 522 T CB 1.841 70.422 68.868 -0.479 0.000 1.377 522 T HN 0.652 nan 8.240 nan 0.000 0.504 523 D N 1.143 121.441 120.400 -0.170 0.000 2.362 523 D HA 0.422 5.062 4.640 0.000 0.000 0.242 523 D C -0.349 175.878 176.300 -0.121 0.000 1.132 523 D CA -0.201 53.730 54.000 -0.115 0.000 0.907 523 D CB 0.453 41.201 40.800 -0.087 0.000 1.195 523 D HN 0.198 nan 8.370 nan 0.000 0.429 524 L N 3.269 124.452 121.223 -0.067 0.000 2.331 524 L HA 0.308 4.648 4.340 0.000 0.000 0.278 524 L C -1.578 175.266 176.870 -0.042 0.000 1.106 524 L CA -1.232 53.581 54.840 -0.044 0.000 0.824 524 L CB -0.000 42.050 42.059 -0.014 0.000 1.142 524 L HN 0.417 nan 8.230 nan 0.000 0.443 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.083 63.100 -0.029 0.000 0.800 525 P CB 0.000 31.687 31.700 -0.021 0.000 0.726