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 2nwc_1_J DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.011 0.000 0.831 3 A N 2.284 125.104 122.820 0.001 0.000 2.531 3 A HA 0.527 4.847 4.320 0.000 0.000 0.236 3 A C 0.299 177.884 177.584 0.003 0.000 1.062 3 A CA 0.418 52.459 52.037 0.007 0.000 0.760 3 A CB 0.016 19.023 19.000 0.012 0.000 0.995 3 A HN 0.631 nan 8.150 nan 0.000 0.501 4 K N 1.205 121.610 120.400 0.010 0.000 2.221 4 K HA 0.406 4.726 4.320 0.000 0.000 0.243 4 K C -1.281 175.338 176.600 0.032 0.000 0.968 4 K CA -0.723 55.566 56.287 0.003 0.000 0.846 4 K CB 1.620 34.120 32.500 -0.001 0.000 1.141 4 K HN 0.703 nan 8.250 nan 0.000 0.434 5 D N 1.341 121.765 120.400 0.040 0.000 2.349 5 D HA 0.275 4.915 4.640 0.000 0.000 0.232 5 D C -1.189 175.253 176.300 0.237 0.000 1.071 5 D CA -0.529 53.561 54.000 0.149 0.000 0.832 5 D CB 1.060 41.981 40.800 0.201 0.000 1.086 5 D HN 0.050 nan 8.370 nan 0.000 0.504 6 V N 4.477 124.478 119.914 0.144 0.000 2.384 6 V HA 0.427 4.547 4.120 0.000 0.000 0.287 6 V C 0.339 176.318 176.094 -0.192 0.000 1.020 6 V CA -0.729 61.555 62.300 -0.027 0.000 0.850 6 V CB 1.507 33.259 31.823 -0.118 0.000 0.987 6 V HN 0.334 nan 8.190 nan 0.000 0.436 7 K N 3.527 123.722 120.400 -0.341 0.000 2.259 7 K HA 0.747 5.067 4.320 0.000 0.000 0.249 7 K C -1.504 174.769 176.600 -0.546 0.000 0.942 7 K CA -0.483 55.526 56.287 -0.463 0.000 0.816 7 K CB 2.142 34.180 32.500 -0.770 0.000 1.155 7 K HN 0.465 nan 8.250 nan 0.000 0.428 8 F N -0.010 119.887 119.950 -0.087 0.000 2.579 8 F HA 0.386 4.913 4.527 0.000 0.000 0.324 8 F C 1.349 177.120 175.800 -0.049 0.000 1.058 8 F CA 0.053 58.027 58.000 -0.044 0.000 0.944 8 F CB 1.532 40.515 39.000 -0.029 0.000 1.245 8 F HN 0.813 nan 8.300 nan 0.000 0.477 9 G N 1.707 110.621 108.800 0.191 0.000 2.698 9 G HA2 -0.473 3.487 3.960 0.000 0.000 0.346 9 G HA3 -0.473 3.487 3.960 0.000 0.000 0.346 9 G C 1.355 176.280 174.900 0.042 0.000 1.287 9 G CA 1.109 46.267 45.100 0.096 0.000 0.990 9 G HN 0.794 nan 8.290 nan 0.000 0.545 10 N N 0.470 119.187 118.700 0.029 0.000 2.166 10 N HA -0.152 4.588 4.740 0.000 0.000 0.186 10 N C 1.875 177.377 175.510 -0.013 0.000 1.019 10 N CA 1.941 54.995 53.050 0.008 0.000 0.856 10 N CB -0.248 38.242 38.487 0.006 0.000 0.993 10 N HN 0.534 nan 8.380 nan 0.000 0.426 11 D N 0.604 120.992 120.400 -0.020 0.000 2.104 11 D HA -0.075 4.565 4.640 0.000 0.000 0.194 11 D C 1.814 178.041 176.300 -0.123 0.000 0.994 11 D CA 1.384 55.345 54.000 -0.066 0.000 0.830 11 D CB -0.270 40.491 40.800 -0.065 0.000 0.959 11 D HN 0.361 nan 8.370 nan 0.000 0.452 12 A N 0.289 123.036 122.820 -0.121 0.000 1.933 12 A HA -0.127 4.193 4.320 0.000 0.000 0.218 12 A C 2.339 179.888 177.584 -0.058 0.000 1.175 12 A CA 1.277 53.227 52.037 -0.145 0.000 0.628 12 A CB -0.429 18.507 19.000 -0.106 0.000 0.814 12 A HN 0.190 nan 8.150 nan 0.000 0.444 13 R N -0.476 120.008 120.500 -0.027 0.000 2.115 13 R HA -0.075 4.265 4.340 0.000 0.000 0.226 13 R C 2.173 178.472 176.300 -0.003 0.000 1.100 13 R CA 1.422 57.520 56.100 -0.003 0.000 0.980 13 R CB -0.467 29.836 30.300 0.006 0.000 0.875 13 R HN 0.591 nan 8.270 nan 0.000 0.445 14 V N -0.620 119.285 119.914 -0.014 0.000 2.548 14 V HA -0.127 3.993 4.120 0.000 0.000 0.249 14 V C 1.909 178.002 176.094 -0.002 0.000 1.055 14 V CA 1.324 63.620 62.300 -0.008 0.000 1.065 14 V CB -0.320 31.496 31.823 -0.012 0.000 0.681 14 V HN 0.063 nan 8.190 nan 0.000 0.462 15 K N 0.045 120.437 120.400 -0.013 0.000 2.032 15 K HA -0.076 4.244 4.320 0.000 0.000 0.209 15 K C 2.245 178.877 176.600 0.053 0.000 1.048 15 K CA 2.238 58.536 56.287 0.019 0.000 0.927 15 K CB -0.536 31.964 32.500 0.001 0.000 0.712 15 K HN 0.520 nan 8.250 nan 0.000 0.441 16 M N 0.332 119.961 119.600 0.050 0.000 2.080 16 M HA -0.204 4.276 4.480 0.000 0.000 0.260 16 M C 2.273 178.594 176.300 0.035 0.000 1.068 16 M CA 1.198 56.529 55.300 0.052 0.000 1.109 16 M CB -0.313 32.314 32.600 0.045 0.000 1.342 16 M HN 0.047 nan 8.290 nan 0.000 0.405 17 L N 0.489 121.727 121.223 0.025 0.000 2.012 17 L HA -0.211 4.129 4.340 0.000 0.000 0.210 17 L C 2.340 179.223 176.870 0.021 0.000 1.073 17 L CA 1.928 56.780 54.840 0.020 0.000 0.748 17 L CB -0.522 41.546 42.059 0.015 0.000 0.891 17 L HN 0.163 nan 8.230 nan 0.000 0.431 18 R N -0.587 119.926 120.500 0.022 0.000 2.091 18 R HA -0.126 4.214 4.340 0.000 0.000 0.238 18 R C 2.225 178.539 176.300 0.025 0.000 1.136 18 R CA 1.216 57.329 56.100 0.022 0.000 0.959 18 R CB -1.050 29.264 30.300 0.023 0.000 0.856 18 R HN 0.603 nan 8.270 nan 0.000 0.437 19 G N 0.564 109.383 108.800 0.032 0.000 2.421 19 G HA2 -0.257 3.703 3.960 0.000 0.000 0.216 19 G HA3 -0.257 3.703 3.960 0.000 0.000 0.216 19 G C 1.431 176.344 174.900 0.022 0.000 1.171 19 G CA 0.875 45.993 45.100 0.030 0.000 0.775 19 G HN 0.305 nan 8.290 nan 0.000 0.543 20 V N 0.943 120.871 119.914 0.022 0.000 2.515 20 V HA -0.132 3.988 4.120 0.000 0.000 0.250 20 V C 2.318 178.422 176.094 0.016 0.000 1.058 20 V CA 2.399 64.710 62.300 0.018 0.000 1.064 20 V CB -0.546 31.289 31.823 0.020 0.000 0.675 20 V HN 0.254 nan 8.190 nan 0.000 0.461 21 N N 0.663 119.373 118.700 0.016 0.000 2.104 21 N HA -0.140 4.600 4.740 0.000 0.000 0.190 21 N C 1.781 177.299 175.510 0.012 0.000 1.024 21 N CA 1.944 55.002 53.050 0.014 0.000 0.853 21 N CB -0.623 37.872 38.487 0.014 0.000 1.008 21 N HN 0.512 nan 8.380 nan 0.000 0.424 22 V N 1.308 121.230 119.914 0.013 0.000 2.307 22 V HA -0.166 3.954 4.120 0.000 0.000 0.245 22 V C 2.396 178.496 176.094 0.009 0.000 1.045 22 V CA 1.052 63.359 62.300 0.011 0.000 1.024 22 V CB -0.619 31.211 31.823 0.012 0.000 0.651 22 V HN 0.194 nan 8.190 nan 0.000 0.449 23 L N 1.000 122.228 121.223 0.010 0.000 2.012 23 L HA -0.110 4.230 4.340 0.000 0.000 0.210 23 L C 2.410 179.285 176.870 0.007 0.000 1.073 23 L CA 2.526 57.371 54.840 0.007 0.000 0.748 23 L CB -0.886 41.177 42.059 0.007 0.000 0.891 23 L HN 0.207 nan 8.230 nan 0.000 0.431 24 A N -0.854 121.972 122.820 0.010 0.000 1.873 24 A HA -0.178 4.142 4.320 0.000 0.000 0.215 24 A C 1.966 179.556 177.584 0.009 0.000 1.186 24 A CA 1.678 53.721 52.037 0.010 0.000 0.616 24 A CB -0.875 18.133 19.000 0.012 0.000 0.823 24 A HN 0.536 nan 8.150 nan 0.000 0.442 25 D N 0.194 120.599 120.400 0.009 0.000 2.178 25 D HA -0.023 4.617 4.640 0.000 0.000 0.201 25 D C 2.077 178.381 176.300 0.007 0.000 0.980 25 D CA 1.368 55.373 54.000 0.008 0.000 0.842 25 D CB -0.306 40.499 40.800 0.008 0.000 0.948 25 D HN 0.441 nan 8.370 nan 0.000 0.472 26 A N 0.161 122.985 122.820 0.006 0.000 1.929 26 A HA -0.052 4.268 4.320 0.000 0.000 0.216 26 A C 2.412 179.998 177.584 0.004 0.000 1.176 26 A CA 0.788 52.828 52.037 0.005 0.000 0.628 26 A CB -0.388 18.614 19.000 0.004 0.000 0.816 26 A HN 0.151 nan 8.150 nan 0.000 0.444 27 V N 0.960 120.877 119.914 0.004 0.000 2.500 27 V HA -0.158 3.962 4.120 0.000 0.000 0.243 27 V C 2.468 178.565 176.094 0.005 0.000 1.039 27 V CA 1.959 64.261 62.300 0.003 0.000 1.053 27 V CB -0.406 31.418 31.823 0.003 0.000 0.695 27 V HN 0.823 nan 8.190 nan 0.000 0.463 28 K N 1.285 121.689 120.400 0.007 0.000 2.362 28 K HA -0.078 4.242 4.320 0.000 0.000 0.200 28 K C 1.726 178.331 176.600 0.008 0.000 1.046 28 K CA 1.660 57.952 56.287 0.008 0.000 0.952 28 K CB -0.465 32.041 32.500 0.010 0.000 0.753 28 K HN 0.481 nan 8.250 nan 0.000 0.466 29 V N -0.183 119.735 119.914 0.006 0.000 2.970 29 V HA -0.113 4.007 4.120 0.000 0.000 0.260 29 V C 2.143 178.239 176.094 0.005 0.000 1.100 29 V CA 1.582 63.885 62.300 0.006 0.000 1.122 29 V CB -0.937 30.889 31.823 0.005 0.000 0.721 29 V HN 0.514 nan 8.190 nan 0.000 0.483 30 T N -2.241 112.315 114.554 0.003 0.000 3.081 30 T HA 0.212 4.563 4.350 0.000 0.000 0.255 30 T C 0.622 175.323 174.700 0.002 0.000 1.113 30 T CA -0.039 62.062 62.100 0.001 0.000 1.082 30 T CB -0.263 68.604 68.868 -0.001 0.000 0.939 30 T HN 0.337 nan 8.240 nan 0.000 0.506 31 L N 2.518 123.744 121.223 0.005 0.000 2.453 31 L HA 0.537 4.877 4.340 0.000 0.000 0.272 31 L C 0.937 177.811 176.870 0.008 0.000 1.182 31 L CA 1.534 56.379 54.840 0.007 0.000 0.858 31 L CB -0.360 41.706 42.059 0.011 0.000 1.120 31 L HN 0.724 nan 8.230 nan 0.000 0.474 32 G N 4.425 113.228 108.800 0.006 0.000 2.756 32 G HA2 -0.148 3.812 3.960 0.000 0.000 0.678 32 G HA3 -0.148 3.812 3.960 0.000 0.000 0.678 32 G C -1.981 172.917 174.900 -0.005 0.000 1.349 32 G CA -0.292 44.810 45.100 0.004 0.000 0.847 32 G HN 0.580 nan 8.290 nan 0.000 0.548 33 P HA 0.040 nan 4.420 nan 0.000 0.221 33 P C 0.837 178.128 177.300 -0.015 0.000 1.150 33 P CA 1.169 64.257 63.100 -0.021 0.000 0.800 33 P CB 0.147 31.825 31.700 -0.037 0.000 0.787 34 K N 0.556 120.952 120.400 -0.008 0.000 2.681 34 K HA 0.273 4.593 4.320 0.000 0.000 0.211 34 K C 0.975 177.575 176.600 0.001 0.000 1.075 34 K CA -0.180 56.105 56.287 -0.004 0.000 1.141 34 K CB 0.433 32.934 32.500 0.001 0.000 0.896 34 K HN 0.049 nan 8.250 nan 0.000 0.470 35 G N 1.396 110.195 108.800 -0.001 0.000 2.491 35 G HA2 0.078 4.038 3.960 0.000 0.000 0.242 35 G HA3 0.078 4.038 3.960 0.000 0.000 0.242 35 G C 0.181 175.080 174.900 -0.001 0.000 1.266 35 G CA -0.418 44.682 45.100 0.001 0.000 0.844 35 G HN 0.113 nan 8.290 nan 0.000 0.571 36 R N 0.732 121.233 120.500 0.001 0.000 2.549 36 R HA 0.182 4.522 4.340 0.000 0.000 0.267 36 R C 0.010 176.309 176.300 -0.001 0.000 1.045 36 R CA -0.684 55.416 56.100 0.001 0.000 1.115 36 R CB 0.505 30.806 30.300 0.002 0.000 1.121 36 R HN 0.633 nan 8.270 nan 0.000 0.543 37 N N -0.625 118.074 118.700 -0.001 0.000 2.529 37 N HA 0.213 4.953 4.740 0.000 0.000 0.278 37 N C -0.814 174.696 175.510 -0.000 0.000 1.146 37 N CA -0.288 52.762 53.050 -0.001 0.000 0.980 37 N CB 1.085 39.571 38.487 -0.001 0.000 1.124 37 N HN 0.116 nan 8.380 nan 0.000 0.458 38 V N 2.115 122.029 119.914 -0.000 0.000 2.495 38 V HA 0.342 4.463 4.120 0.000 0.000 0.298 38 V C -0.244 175.851 176.094 0.001 0.000 1.031 38 V CA -0.833 61.468 62.300 0.001 0.000 0.871 38 V CB 1.779 33.602 31.823 0.000 0.000 0.988 38 V HN 0.325 nan 8.190 nan 0.000 0.432 39 V N 6.288 126.204 119.914 0.003 0.000 2.350 39 V HA 0.446 4.566 4.120 0.000 0.000 0.276 39 V C -0.213 175.885 176.094 0.007 0.000 1.028 39 V CA -0.403 61.900 62.300 0.005 0.000 0.860 39 V CB 1.194 33.020 31.823 0.006 0.000 0.990 39 V HN 0.626 nan 8.190 nan 0.000 0.453 40 L N 3.738 124.966 121.223 0.009 0.000 2.280 40 L HA 0.507 4.847 4.340 0.000 0.000 0.287 40 L C -0.121 176.762 176.870 0.022 0.000 1.023 40 L CA -0.574 54.273 54.840 0.013 0.000 0.819 40 L CB 1.416 43.481 42.059 0.009 0.000 1.212 40 L HN 0.489 nan 8.230 nan 0.000 0.420 41 D N 2.171 122.586 120.400 0.024 0.000 2.371 41 D HA 0.053 4.693 4.640 0.000 0.000 0.256 41 D C 0.665 176.999 176.300 0.057 0.000 1.193 41 D CA 0.154 54.174 54.000 0.032 0.000 0.881 41 D CB 1.290 42.103 40.800 0.022 0.000 1.143 41 D HN 0.254 nan 8.370 nan 0.000 0.473 42 K N 1.048 121.497 120.400 0.082 0.000 2.262 42 K HA 0.050 4.370 4.320 0.000 0.000 0.200 42 K C 1.062 177.793 176.600 0.217 0.000 1.049 42 K CA 0.567 56.951 56.287 0.162 0.000 0.979 42 K CB -0.086 32.514 32.500 0.168 0.000 0.773 42 K HN 0.441 nan 8.250 nan 0.000 0.474 43 S N -1.288 114.462 115.700 0.084 0.000 2.675 43 S HA -0.228 4.242 4.470 0.000 0.000 0.258 43 S C 0.547 175.061 174.600 -0.144 0.000 1.282 43 S CA 1.109 59.283 58.200 -0.044 0.000 1.471 43 S CB -1.725 61.410 63.200 -0.108 0.000 1.848 43 S HN 0.313 nan 8.310 nan 0.000 0.655 44 F N 1.803 121.750 119.950 -0.005 0.000 2.645 44 F HA 0.507 5.034 4.527 0.000 0.000 0.300 44 F C 1.765 177.562 175.800 -0.004 0.000 1.115 44 F CA 1.080 59.078 58.000 -0.004 0.000 1.355 44 F CB 0.783 39.780 39.000 -0.005 0.000 1.026 44 F HN 0.594 nan 8.300 nan 0.000 0.536 45 G N 0.190 109.052 108.800 0.104 0.000 2.214 45 G HA2 0.121 4.081 3.960 0.000 0.000 0.200 45 G HA3 0.121 4.081 3.960 0.000 0.000 0.200 45 G C -0.461 174.470 174.900 0.052 0.000 1.126 45 G CA -0.503 44.637 45.100 0.066 0.000 1.284 45 G HN 0.359 nan 8.290 nan 0.000 0.493 46 A N 2.117 124.967 122.820 0.050 0.000 2.425 46 A HA 0.689 5.009 4.320 0.000 0.000 0.249 46 A C -1.787 175.821 177.584 0.041 0.000 1.084 46 A CA -0.082 51.976 52.037 0.035 0.000 0.781 46 A CB -0.298 18.717 19.000 0.026 0.000 1.019 46 A HN 0.497 nan 8.150 nan 0.000 0.490 47 P HA 0.302 nan 4.420 nan 0.000 0.274 47 P C -0.341 176.972 177.300 0.021 0.000 1.237 47 P CA -0.116 63.001 63.100 0.029 0.000 0.793 47 P CB 0.546 32.258 31.700 0.020 0.000 0.977 48 T N 2.372 116.937 114.554 0.018 0.000 2.780 48 T HA 0.406 4.756 4.350 0.000 0.000 0.294 48 T C 0.392 175.095 174.700 0.005 0.000 0.949 48 T CA -0.095 62.010 62.100 0.008 0.000 1.074 48 T CB -0.204 68.666 68.868 0.004 0.000 0.910 48 T HN 0.177 nan 8.240 nan 0.000 0.501 49 I N 2.953 123.524 120.570 0.002 0.000 2.321 49 I HA 0.467 4.637 4.170 0.000 0.000 0.291 49 I C 0.556 176.671 176.117 -0.004 0.000 0.998 49 I CA -0.371 60.929 61.300 -0.000 0.000 1.227 49 I CB 1.596 39.596 38.000 -0.000 0.000 1.368 49 I HN 0.502 nan 8.210 nan 0.000 0.466 50 T N 4.482 119.033 114.554 -0.004 0.000 2.900 50 T HA 0.390 4.740 4.350 0.000 0.000 0.303 50 T C 0.037 174.733 174.700 -0.007 0.000 1.142 50 T CA -0.634 61.461 62.100 -0.007 0.000 1.007 50 T CB 1.570 70.432 68.868 -0.009 0.000 1.156 50 T HN 0.644 nan 8.240 nan 0.000 0.490 51 K N 1.467 121.861 120.400 -0.009 0.000 2.414 51 K HA 0.190 4.510 4.320 0.000 0.000 0.204 51 K C -0.526 176.068 176.600 -0.010 0.000 1.026 51 K CA -0.299 55.983 56.287 -0.008 0.000 1.108 51 K CB 0.474 32.969 32.500 -0.009 0.000 0.855 51 K HN 0.409 nan 8.250 nan 0.000 0.517 52 D N 0.373 120.766 120.400 -0.012 0.000 2.380 52 D HA 0.096 4.736 4.640 0.000 0.000 0.230 52 D C 1.135 177.428 176.300 -0.011 0.000 1.154 52 D CA -0.159 53.833 54.000 -0.014 0.000 0.859 52 D CB 1.306 42.095 40.800 -0.019 0.000 1.045 52 D HN 0.200 nan 8.370 nan 0.000 0.495 53 G N 2.533 111.327 108.800 -0.009 0.000 2.462 53 G HA2 -0.197 3.764 3.960 0.000 0.000 0.220 53 G HA3 -0.197 3.764 3.960 0.000 0.000 0.220 53 G C 1.489 176.383 174.900 -0.010 0.000 1.121 53 G CA 0.630 45.726 45.100 -0.007 0.000 0.758 53 G HN 0.482 nan 8.290 nan 0.000 0.559 54 V N 0.953 120.859 119.914 -0.013 0.000 2.358 54 V HA -0.158 3.962 4.120 0.000 0.000 0.246 54 V C 3.067 179.151 176.094 -0.017 0.000 1.047 54 V CA 2.132 64.422 62.300 -0.016 0.000 1.035 54 V CB -0.482 31.330 31.823 -0.018 0.000 0.658 54 V HN 0.362 nan 8.190 nan 0.000 0.452 55 S N 0.057 115.746 115.700 -0.018 0.000 2.368 55 S HA -0.170 4.301 4.470 0.000 0.000 0.225 55 S C 2.026 176.618 174.600 -0.014 0.000 1.030 55 S CA 1.536 59.725 58.200 -0.018 0.000 0.999 55 S CB -0.250 62.939 63.200 -0.018 0.000 0.844 55 S HN 0.388 nan 8.310 nan 0.000 0.459 56 V N 2.118 122.025 119.914 -0.011 0.000 2.295 56 V HA -0.205 3.915 4.120 0.000 0.000 0.246 56 V C 2.698 178.788 176.094 -0.008 0.000 1.049 56 V CA 1.703 63.999 62.300 -0.007 0.000 1.024 56 V CB -1.322 30.499 31.823 -0.004 0.000 0.648 56 V HN 0.542 nan 8.190 nan 0.000 0.447 57 A N -0.163 122.651 122.820 -0.009 0.000 1.908 57 A HA -0.290 4.030 4.320 0.000 0.000 0.218 57 A C 2.356 179.932 177.584 -0.014 0.000 1.181 57 A CA 2.194 54.225 52.037 -0.011 0.000 0.627 57 A CB -0.610 18.382 19.000 -0.013 0.000 0.818 57 A HN 0.485 nan 8.150 nan 0.000 0.445 58 R N -0.513 119.976 120.500 -0.018 0.000 2.119 58 R HA -0.161 4.179 4.340 0.000 0.000 0.246 58 R C 1.949 178.238 176.300 -0.018 0.000 1.146 58 R CA 1.708 57.794 56.100 -0.022 0.000 0.962 58 R CB -0.176 30.108 30.300 -0.027 0.000 0.863 58 R HN 0.538 nan 8.270 nan 0.000 0.442 59 E N 0.127 120.320 120.200 -0.012 0.000 2.285 59 E HA -0.051 4.299 4.350 0.000 0.000 0.194 59 E C 0.363 176.960 176.600 -0.004 0.000 0.997 59 E CA 0.322 56.718 56.400 -0.006 0.000 0.845 59 E CB 0.111 29.811 29.700 -0.001 0.000 0.782 59 E HN 0.222 nan 8.360 nan 0.000 0.491 60 I N 2.485 123.052 120.570 -0.005 0.000 2.578 60 I HA 0.043 4.213 4.170 0.000 0.000 0.286 60 I C 0.431 176.546 176.117 -0.004 0.000 1.126 60 I CA 0.535 61.834 61.300 -0.003 0.000 1.380 60 I CB -0.425 37.574 38.000 -0.001 0.000 1.408 60 I HN -0.019 nan 8.210 nan 0.000 0.532 61 E N 7.054 127.252 120.200 -0.003 0.000 2.304 61 E HA 0.531 4.881 4.350 0.000 0.000 0.277 61 E C -1.680 174.919 176.600 -0.002 0.000 0.898 61 E CA -0.633 55.765 56.400 -0.005 0.000 0.764 61 E CB 2.106 31.802 29.700 -0.007 0.000 1.216 61 E HN 0.432 nan 8.360 nan 0.000 0.419 62 L N 3.327 124.549 121.223 -0.002 0.000 2.334 62 L HA 0.381 4.721 4.340 0.000 0.000 0.272 62 L C 1.421 178.291 176.870 -0.001 0.000 1.020 62 L CA -0.457 54.385 54.840 0.003 0.000 0.812 62 L CB 1.680 43.745 42.059 0.010 0.000 1.264 62 L HN 0.750 nan 8.230 nan 0.000 0.439 63 E N 0.813 121.016 120.200 0.004 0.000 2.047 63 E HA -0.169 4.181 4.350 0.000 0.000 0.191 63 E C 0.518 177.120 176.600 0.004 0.000 0.987 63 E CA 0.569 56.970 56.400 0.002 0.000 0.799 63 E CB 0.251 29.955 29.700 0.007 0.000 0.752 63 E HN 0.643 nan 8.360 nan 0.000 0.449 64 D N 0.764 121.178 120.400 0.023 0.000 2.412 64 D HA -0.060 4.580 4.640 0.000 0.000 0.257 64 D C 0.492 176.804 176.300 0.021 0.000 1.217 64 D CA 0.235 54.263 54.000 0.048 0.000 0.897 64 D CB 0.880 41.730 40.800 0.083 0.000 1.132 64 D HN 0.128 nan 8.370 nan 0.000 0.493 65 K N 3.118 123.489 120.400 -0.049 0.000 2.147 65 K HA -0.135 4.185 4.320 0.000 0.000 0.205 65 K C 1.712 178.174 176.600 -0.230 0.000 1.049 65 K CA 0.993 57.170 56.287 -0.183 0.000 0.936 65 K CB 0.046 32.358 32.500 -0.314 0.000 0.722 65 K HN 0.460 nan 8.250 nan 0.000 0.446 66 F N 1.627 121.567 119.950 -0.017 0.000 2.187 66 F HA -0.059 4.468 4.527 0.000 0.000 0.295 66 F C 2.277 178.069 175.800 -0.014 0.000 1.091 66 F CA 1.003 58.990 58.000 -0.021 0.000 1.308 66 F CB -0.319 38.666 39.000 -0.024 0.000 1.030 66 F HN 0.024 nan 8.300 nan 0.000 0.487 67 E N 0.093 120.399 120.200 0.178 0.000 2.077 67 E HA -0.265 4.085 4.350 0.000 0.000 0.193 67 E C 1.814 178.444 176.600 0.051 0.000 0.989 67 E CA 1.416 57.872 56.400 0.094 0.000 0.800 67 E CB -0.395 29.348 29.700 0.072 0.000 0.746 67 E HN 0.325 nan 8.360 nan 0.000 0.452 68 N N 0.640 119.356 118.700 0.026 0.000 2.120 68 N HA -0.160 4.580 4.740 0.000 0.000 0.188 68 N C 1.778 177.286 175.510 -0.004 0.000 1.024 68 N CA 1.251 54.301 53.050 0.000 0.000 0.852 68 N CB -0.010 38.464 38.487 -0.022 0.000 1.003 68 N HN 0.060 nan 8.380 nan 0.000 0.424 69 M N -0.495 119.099 119.600 -0.009 0.000 2.080 69 M HA -0.088 4.392 4.480 0.000 0.000 0.260 69 M C 2.201 178.511 176.300 0.017 0.000 1.068 69 M CA 1.856 57.153 55.300 -0.005 0.000 1.109 69 M CB -0.764 31.832 32.600 -0.006 0.000 1.342 69 M HN 0.347 nan 8.290 nan 0.000 0.405 70 G N -0.122 108.700 108.800 0.037 0.000 2.529 70 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 70 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 70 G C 1.583 176.496 174.900 0.022 0.000 1.177 70 G CA 1.323 46.444 45.100 0.035 0.000 0.773 70 G HN 0.575 nan 8.290 nan 0.000 0.573 71 A N -0.204 122.627 122.820 0.018 0.000 1.877 71 A HA -0.066 4.254 4.320 0.000 0.000 0.216 71 A C 2.407 179.994 177.584 0.004 0.000 1.186 71 A CA 2.045 54.088 52.037 0.010 0.000 0.620 71 A CB -0.397 18.608 19.000 0.008 0.000 0.822 71 A HN 0.330 nan 8.150 nan 0.000 0.443 72 Q N -0.750 119.050 119.800 -0.000 0.000 2.224 72 Q HA -0.073 4.267 4.340 0.000 0.000 0.203 72 Q C 2.064 178.062 176.000 -0.004 0.000 0.970 72 Q CA 1.226 57.026 55.803 -0.006 0.000 0.865 72 Q CB -0.495 28.236 28.738 -0.012 0.000 0.922 72 Q HN 0.769 nan 8.270 nan 0.000 0.445 73 M N -0.342 119.261 119.600 0.004 0.000 2.077 73 M HA -0.133 4.347 4.480 0.000 0.000 0.261 73 M C 2.259 178.566 176.300 0.011 0.000 1.070 73 M CA 1.404 56.709 55.300 0.009 0.000 1.125 73 M CB -0.331 32.279 32.600 0.017 0.000 1.339 73 M HN 0.157 nan 8.290 nan 0.000 0.409 74 V N -0.246 119.676 119.914 0.013 0.000 2.515 74 V HA -0.221 3.899 4.120 0.000 0.000 0.250 74 V C 2.017 178.112 176.094 0.001 0.000 1.058 74 V CA 1.828 64.137 62.300 0.015 0.000 1.064 74 V CB -0.531 31.304 31.823 0.020 0.000 0.675 74 V HN 0.434 nan 8.190 nan 0.000 0.461 75 K N -0.512 119.885 120.400 -0.005 0.000 2.063 75 K HA -0.179 4.141 4.320 0.000 0.000 0.208 75 K C 2.264 178.845 176.600 -0.031 0.000 1.048 75 K CA 1.965 58.243 56.287 -0.016 0.000 0.928 75 K CB -0.089 32.402 32.500 -0.014 0.000 0.713 75 K HN 0.498 nan 8.250 nan 0.000 0.442 76 E N -0.012 120.171 120.200 -0.029 0.000 2.072 76 E HA -0.134 4.216 4.350 0.000 0.000 0.190 76 E C 2.076 178.628 176.600 -0.080 0.000 0.982 76 E CA 1.330 57.703 56.400 -0.045 0.000 0.803 76 E CB -0.226 29.457 29.700 -0.027 0.000 0.755 76 E HN 0.321 nan 8.360 nan 0.000 0.453 77 V N -0.741 119.137 119.914 -0.059 0.000 2.591 77 V HA 0.069 4.189 4.120 0.000 0.000 0.249 77 V C 2.227 178.205 176.094 -0.194 0.000 1.053 77 V CA 1.586 63.826 62.300 -0.099 0.000 1.068 77 V CB -0.550 31.309 31.823 0.061 0.000 0.689 77 V HN 0.116 nan 8.190 nan 0.000 0.462 78 A N 1.748 124.515 122.820 -0.088 0.000 1.933 78 A HA -0.145 4.175 4.320 0.000 0.000 0.218 78 A C 2.593 180.102 177.584 -0.124 0.000 1.175 78 A CA 2.440 54.434 52.037 -0.072 0.000 0.628 78 A CB -1.061 17.927 19.000 -0.021 0.000 0.814 78 A HN 1.008 nan 8.150 nan 0.000 0.444 79 S N -0.121 115.503 115.700 -0.126 0.000 2.423 79 S HA -0.131 4.339 4.470 0.000 0.000 0.231 79 S C 1.763 176.251 174.600 -0.187 0.000 1.014 79 S CA 1.266 59.395 58.200 -0.117 0.000 0.965 79 S CB -0.329 62.823 63.200 -0.080 0.000 0.785 79 S HN 0.577 nan 8.310 nan 0.000 0.495 80 K N 1.497 121.691 120.400 -0.344 0.000 2.147 80 K HA 0.069 4.389 4.320 0.000 0.000 0.205 80 K C 2.525 178.811 176.600 -0.524 0.000 1.049 80 K CA 1.069 57.044 56.287 -0.520 0.000 0.936 80 K CB -0.580 31.400 32.500 -0.866 0.000 0.722 80 K HN 0.526 nan 8.250 nan 0.000 0.446 81 A N 1.889 124.423 122.820 -0.477 0.000 1.883 81 A HA -0.239 4.081 4.320 0.000 0.000 0.217 81 A C 1.937 179.510 177.584 -0.019 0.000 1.186 81 A CA 1.997 53.986 52.037 -0.082 0.000 0.624 81 A CB -0.735 18.295 19.000 0.050 0.000 0.822 81 A HN 0.340 nan 8.150 nan 0.000 0.444 82 N N -0.299 118.374 118.700 -0.046 0.000 2.244 82 N HA -0.129 4.611 4.740 0.000 0.000 0.183 82 N C 1.177 176.693 175.510 0.010 0.000 1.016 82 N CA 1.364 54.411 53.050 -0.004 0.000 0.866 82 N CB -0.103 38.377 38.487 -0.012 0.000 0.980 82 N HN 0.417 nan 8.380 nan 0.000 0.430 83 D N -0.148 120.235 120.400 -0.029 0.000 2.117 83 D HA -0.104 4.536 4.640 0.000 0.000 0.197 83 D C 1.680 177.979 176.300 -0.002 0.000 0.987 83 D CA 1.126 55.115 54.000 -0.018 0.000 0.829 83 D CB -0.270 40.496 40.800 -0.057 0.000 0.961 83 D HN 0.373 nan 8.370 nan 0.000 0.460 84 A N 0.270 123.097 122.820 0.012 0.000 1.970 84 A HA 0.258 4.579 4.320 0.000 0.000 0.216 84 A C 2.015 179.624 177.584 0.042 0.000 1.170 84 A CA 1.634 53.697 52.037 0.044 0.000 0.645 84 A CB 0.080 19.151 19.000 0.119 0.000 0.816 84 A HN 0.232 nan 8.150 nan 0.000 0.447 85 A N -3.049 119.804 122.820 0.055 0.000 2.390 85 A HA 0.471 4.791 4.320 0.000 0.000 0.225 85 A C 1.636 179.270 177.584 0.083 0.000 1.232 85 A CA 1.033 53.106 52.037 0.060 0.000 0.964 85 A CB -0.128 18.912 19.000 0.066 0.000 1.064 85 A HN 1.806 nan 8.150 nan 0.000 0.525 86 G N -0.814 108.051 108.800 0.108 0.000 2.159 86 G HA2 -0.152 3.808 3.960 0.000 0.000 0.256 86 G HA3 -0.152 3.808 3.960 0.000 0.000 0.256 86 G C -0.208 174.734 174.900 0.069 0.000 0.977 86 G CA 0.598 45.795 45.100 0.162 0.000 0.652 86 G HN 0.866 nan 8.290 nan 0.000 0.531 87 D N -2.734 117.696 120.400 0.050 0.000 2.742 87 D HA 0.575 5.216 4.640 0.000 0.000 0.262 87 D C 0.794 177.114 176.300 0.032 0.000 1.240 87 D CA 1.357 55.375 54.000 0.030 0.000 0.752 87 D CB 0.507 41.323 40.800 0.027 0.000 1.290 87 D HN 1.349 nan 8.370 nan 0.000 0.420 88 G N 0.105 108.920 108.800 0.025 0.000 2.211 88 G HA2 -0.251 3.709 3.960 0.000 0.000 0.201 88 G HA3 -0.251 3.709 3.960 0.000 0.000 0.201 88 G C 1.142 176.057 174.900 0.026 0.000 0.997 88 G CA 0.734 45.854 45.100 0.033 0.000 0.652 88 G HN 0.555 nan 8.290 nan 0.000 0.500 89 T N 1.182 115.742 114.554 0.010 0.000 2.684 89 T HA -0.113 4.237 4.350 0.000 0.000 0.267 89 T C 2.570 177.273 174.700 0.006 0.000 1.036 89 T CA 2.583 64.682 62.100 -0.002 0.000 1.148 89 T CB -0.394 68.464 68.868 -0.015 0.000 0.863 89 T HN 0.455 nan 8.240 nan 0.000 0.436 90 T N 1.506 116.065 114.554 0.007 0.000 2.777 90 T HA -0.098 4.252 4.350 0.000 0.000 0.266 90 T C 2.267 176.976 174.700 0.016 0.000 1.040 90 T CA 1.651 63.757 62.100 0.009 0.000 1.141 90 T CB -0.689 68.183 68.868 0.006 0.000 0.868 90 T HN 0.413 nan 8.240 nan 0.000 0.444 91 T N 2.235 116.801 114.554 0.021 0.000 2.684 91 T HA -0.084 4.266 4.350 0.000 0.000 0.267 91 T C 2.416 177.136 174.700 0.034 0.000 1.036 91 T CA 1.261 63.377 62.100 0.027 0.000 1.148 91 T CB -0.648 68.238 68.868 0.031 0.000 0.863 91 T HN 0.435 nan 8.240 nan 0.000 0.436 92 A N 1.399 124.244 122.820 0.041 0.000 1.908 92 A HA -0.160 4.160 4.320 0.000 0.000 0.218 92 A C 2.562 180.171 177.584 0.042 0.000 1.181 92 A CA 2.202 54.272 52.037 0.055 0.000 0.627 92 A CB -1.294 17.747 19.000 0.069 0.000 0.818 92 A HN 0.509 nan 8.150 nan 0.000 0.445 93 T N -0.289 114.282 114.554 0.028 0.000 2.737 93 T HA -0.126 4.224 4.350 0.000 0.000 0.265 93 T C 2.002 176.715 174.700 0.022 0.000 1.038 93 T CA 1.900 64.013 62.100 0.022 0.000 1.144 93 T CB -0.779 68.097 68.868 0.013 0.000 0.866 93 T HN 0.704 nan 8.240 nan 0.000 0.434 94 V N 0.521 120.448 119.914 0.021 0.000 2.515 94 V HA -0.001 4.119 4.120 0.000 0.000 0.250 94 V C 2.172 178.280 176.094 0.022 0.000 1.058 94 V CA 1.310 63.622 62.300 0.020 0.000 1.064 94 V CB -0.991 30.843 31.823 0.018 0.000 0.675 94 V HN 0.441 nan 8.190 nan 0.000 0.461 95 L N 0.681 121.920 121.223 0.027 0.000 2.005 95 L HA -0.010 4.330 4.340 0.000 0.000 0.207 95 L C 3.099 179.986 176.870 0.028 0.000 1.072 95 L CA 1.774 56.630 54.840 0.028 0.000 0.744 95 L CB -0.979 41.100 42.059 0.034 0.000 0.895 95 L HN 0.425 nan 8.230 nan 0.000 0.433 96 A N -0.465 122.375 122.820 0.032 0.000 1.892 96 A HA -0.335 3.985 4.320 0.000 0.000 0.218 96 A C 2.259 179.858 177.584 0.025 0.000 1.188 96 A CA 2.213 54.269 52.037 0.032 0.000 0.631 96 A CB -0.751 18.270 19.000 0.036 0.000 0.822 96 A HN 0.535 nan 8.150 nan 0.000 0.447 97 Q N -0.698 119.116 119.800 0.022 0.000 2.096 97 Q HA -0.152 4.188 4.340 0.000 0.000 0.204 97 Q C 2.188 178.198 176.000 0.017 0.000 0.982 97 Q CA 1.740 57.554 55.803 0.019 0.000 0.850 97 Q CB -0.344 28.404 28.738 0.017 0.000 0.901 97 Q HN 0.621 nan 8.270 nan 0.000 0.422 98 A N 0.637 123.467 122.820 0.017 0.000 1.898 98 A HA -0.134 4.186 4.320 0.000 0.000 0.216 98 A C 1.966 179.559 177.584 0.015 0.000 1.181 98 A CA 1.269 53.316 52.037 0.015 0.000 0.620 98 A CB -0.564 18.446 19.000 0.016 0.000 0.819 98 A HN 0.468 nan 8.150 nan 0.000 0.442 99 I N -0.402 120.178 120.570 0.017 0.000 2.163 99 I HA -0.241 3.929 4.170 0.000 0.000 0.240 99 I C 2.318 178.444 176.117 0.016 0.000 1.081 99 I CA 1.369 62.678 61.300 0.017 0.000 1.353 99 I CB -0.451 37.560 38.000 0.019 0.000 1.054 99 I HN 0.263 nan 8.210 nan 0.000 0.407 100 I N 0.556 121.137 120.570 0.018 0.000 2.163 100 I HA -0.308 3.862 4.170 0.000 0.000 0.243 100 I C 2.625 178.750 176.117 0.015 0.000 1.085 100 I CA 1.741 63.051 61.300 0.017 0.000 1.347 100 I CB -0.711 37.300 38.000 0.019 0.000 1.044 100 I HN 0.258 nan 8.210 nan 0.000 0.408 101 T N 0.171 114.734 114.554 0.014 0.000 2.665 101 T HA -0.185 4.165 4.350 0.000 0.000 0.268 101 T C 1.838 176.544 174.700 0.010 0.000 1.035 101 T CA 1.434 63.541 62.100 0.012 0.000 1.151 101 T CB -0.191 68.684 68.868 0.011 0.000 0.862 101 T HN 0.320 nan 8.240 nan 0.000 0.438 102 E N 0.510 120.716 120.200 0.010 0.000 2.076 102 E HA 0.021 4.371 4.350 0.000 0.000 0.190 102 E C 2.612 179.217 176.600 0.009 0.000 0.979 102 E CA 0.936 57.341 56.400 0.009 0.000 0.807 102 E CB -0.821 28.884 29.700 0.009 0.000 0.761 102 E HN 0.549 nan 8.360 nan 0.000 0.454 103 G N 1.814 110.620 108.800 0.011 0.000 2.476 103 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 103 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 103 G C 1.724 176.630 174.900 0.010 0.000 1.164 103 G CA 0.699 45.806 45.100 0.011 0.000 0.768 103 G HN 0.170 nan 8.290 nan 0.000 0.560 104 L N -0.249 120.980 121.223 0.011 0.000 2.141 104 L HA -0.018 4.322 4.340 0.000 0.000 0.209 104 L C 2.940 179.815 176.870 0.008 0.000 1.094 104 L CA 1.087 55.933 54.840 0.010 0.000 0.763 104 L CB -0.346 41.719 42.059 0.010 0.000 0.908 104 L HN 0.213 nan 8.230 nan 0.000 0.437 105 K N 0.266 120.671 120.400 0.007 0.000 2.103 105 K HA -0.158 4.162 4.320 0.000 0.000 0.207 105 K C 2.233 178.836 176.600 0.006 0.000 1.048 105 K CA 1.435 57.725 56.287 0.006 0.000 0.930 105 K CB -0.201 32.302 32.500 0.006 0.000 0.716 105 K HN 0.285 nan 8.250 nan 0.000 0.444 106 A N 0.731 123.555 122.820 0.007 0.000 1.930 106 A HA -0.095 4.225 4.320 0.000 0.000 0.217 106 A C 2.307 179.895 177.584 0.006 0.000 1.175 106 A CA 1.194 53.234 52.037 0.006 0.000 0.627 106 A CB -0.485 18.519 19.000 0.007 0.000 0.815 106 A HN 0.067 nan 8.150 nan 0.000 0.443 107 V N -0.080 119.839 119.914 0.008 0.000 2.343 107 V HA -0.236 3.884 4.120 0.000 0.000 0.247 107 V C 3.017 179.116 176.094 0.007 0.000 1.051 107 V CA 1.874 64.179 62.300 0.009 0.000 1.036 107 V CB -1.162 30.667 31.823 0.011 0.000 0.654 107 V HN 0.594 nan 8.190 nan 0.000 0.451 108 A N -0.073 122.750 122.820 0.006 0.000 2.019 108 A HA -0.027 4.294 4.320 0.000 0.000 0.219 108 A C 2.318 179.904 177.584 0.004 0.000 1.164 108 A CA 1.717 53.757 52.037 0.005 0.000 0.644 108 A CB -0.565 18.438 19.000 0.004 0.000 0.805 108 A HN 0.573 nan 8.150 nan 0.000 0.449 109 A N -1.790 121.032 122.820 0.004 0.000 2.119 109 A HA 0.369 4.689 4.320 0.000 0.000 0.217 109 A C 1.788 179.374 177.584 0.003 0.000 1.153 109 A CA 1.447 53.486 52.037 0.003 0.000 0.692 109 A CB -0.729 18.272 19.000 0.003 0.000 0.799 109 A HN 1.866 nan 8.150 nan 0.000 0.458 110 G N -2.037 106.765 108.800 0.004 0.000 2.138 110 G HA2 -0.173 3.787 3.960 0.000 0.000 0.193 110 G HA3 -0.173 3.787 3.960 0.000 0.000 0.193 110 G C 0.048 174.950 174.900 0.004 0.000 0.998 110 G CA 0.075 45.177 45.100 0.004 0.000 0.668 110 G HN 0.336 nan 8.290 nan 0.000 0.516 111 M N 0.678 120.281 119.600 0.005 0.000 2.255 111 M HA 0.276 4.756 4.480 0.000 0.000 0.336 111 M C 0.671 176.975 176.300 0.007 0.000 1.135 111 M CA -0.612 54.691 55.300 0.005 0.000 1.145 111 M CB 0.603 33.206 32.600 0.005 0.000 1.473 111 M HN 0.144 nan 8.290 nan 0.000 0.462 112 N N 2.830 121.533 118.700 0.006 0.000 2.431 112 N HA 0.084 4.824 4.740 0.000 0.000 0.265 112 N C -2.064 173.451 175.510 0.009 0.000 1.184 112 N CA -1.157 51.897 53.050 0.008 0.000 0.943 112 N CB 1.128 39.619 38.487 0.007 0.000 1.080 112 N HN 0.302 nan 8.380 nan 0.000 0.477 113 P HA -0.097 nan 4.420 nan 0.000 0.216 113 P C 1.604 178.911 177.300 0.012 0.000 1.150 113 P CA 1.148 64.256 63.100 0.012 0.000 0.837 113 P CB 0.254 31.963 31.700 0.016 0.000 0.786 114 M N -0.770 118.837 119.600 0.011 0.000 2.132 114 M HA -0.111 4.369 4.480 0.000 0.000 0.263 114 M C 1.475 177.780 176.300 0.008 0.000 1.065 114 M CA 1.601 56.907 55.300 0.010 0.000 1.122 114 M CB -1.645 30.961 32.600 0.010 0.000 1.365 114 M HN -0.033 nan 8.290 nan 0.000 0.411 115 D N 0.485 120.889 120.400 0.007 0.000 2.117 115 D HA -0.059 4.581 4.640 0.000 0.000 0.198 115 D C 2.302 178.606 176.300 0.006 0.000 0.982 115 D CA 0.972 54.976 54.000 0.006 0.000 0.828 115 D CB -0.167 40.636 40.800 0.005 0.000 0.967 115 D HN 0.311 nan 8.370 nan 0.000 0.464 116 L N 0.700 121.927 121.223 0.007 0.000 2.042 116 L HA -0.178 4.162 4.340 0.000 0.000 0.210 116 L C 2.524 179.399 176.870 0.007 0.000 1.076 116 L CA 1.162 56.006 54.840 0.007 0.000 0.749 116 L CB -0.302 41.762 42.059 0.008 0.000 0.893 116 L HN -0.022 nan 8.230 nan 0.000 0.432 117 K N 0.223 120.628 120.400 0.008 0.000 2.057 117 K HA -0.215 4.105 4.320 0.000 0.000 0.207 117 K C 2.351 178.954 176.600 0.005 0.000 1.049 117 K CA 1.300 57.591 56.287 0.008 0.000 0.931 117 K CB 0.003 32.509 32.500 0.009 0.000 0.714 117 K HN 0.083 nan 8.250 nan 0.000 0.440 118 R N -0.300 120.202 120.500 0.004 0.000 2.096 118 R HA -0.092 4.248 4.340 0.000 0.000 0.235 118 R C 2.243 178.544 176.300 0.002 0.000 1.127 118 R CA 1.562 57.663 56.100 0.002 0.000 0.968 118 R CB -0.404 29.898 30.300 0.003 0.000 0.861 118 R HN 0.379 nan 8.270 nan 0.000 0.440 119 G N 0.780 109.581 108.800 0.003 0.000 2.433 119 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 119 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 119 G C 1.406 176.308 174.900 0.002 0.000 1.186 119 G CA 0.863 45.965 45.100 0.003 0.000 0.779 119 G HN 0.240 nan 8.290 nan 0.000 0.543 120 I N 1.164 121.736 120.570 0.003 0.000 2.151 120 I HA -0.192 3.978 4.170 0.000 0.000 0.243 120 I C 2.374 178.491 176.117 -0.000 0.000 1.080 120 I CA 1.472 62.774 61.300 0.003 0.000 1.339 120 I CB -0.183 37.821 38.000 0.006 0.000 1.039 120 I HN 0.063 nan 8.210 nan 0.000 0.409 121 D N 0.611 121.010 120.400 -0.002 0.000 2.117 121 D HA -0.216 4.424 4.640 0.000 0.000 0.197 121 D C 2.071 178.367 176.300 -0.007 0.000 0.987 121 D CA 1.216 55.212 54.000 -0.007 0.000 0.829 121 D CB -0.262 40.533 40.800 -0.007 0.000 0.961 121 D HN 0.288 nan 8.370 nan 0.000 0.460 122 K N 0.723 121.120 120.400 -0.004 0.000 2.032 122 K HA -0.129 4.191 4.320 0.000 0.000 0.209 122 K C 2.034 178.632 176.600 -0.003 0.000 1.048 122 K CA 1.427 57.712 56.287 -0.003 0.000 0.927 122 K CB -0.089 32.410 32.500 -0.001 0.000 0.712 122 K HN 0.028 nan 8.250 nan 0.000 0.441 123 A N 0.508 123.328 122.820 -0.001 0.000 1.908 123 A HA -0.127 4.193 4.320 0.000 0.000 0.218 123 A C 2.244 179.828 177.584 -0.001 0.000 1.181 123 A CA 1.780 53.817 52.037 0.000 0.000 0.627 123 A CB -0.646 18.355 19.000 0.003 0.000 0.818 123 A HN 0.196 nan 8.150 nan 0.000 0.445 124 V N -0.352 119.560 119.914 -0.005 0.000 2.358 124 V HA -0.204 3.916 4.120 0.000 0.000 0.246 124 V C 2.751 178.837 176.094 -0.013 0.000 1.047 124 V CA 2.405 64.700 62.300 -0.009 0.000 1.035 124 V CB -1.211 30.603 31.823 -0.015 0.000 0.658 124 V HN 0.622 nan 8.190 nan 0.000 0.452 125 T N 0.656 115.202 114.554 -0.014 0.000 2.684 125 T HA -0.212 4.138 4.350 0.000 0.000 0.267 125 T C 2.065 176.760 174.700 -0.009 0.000 1.036 125 T CA 1.737 63.829 62.100 -0.014 0.000 1.148 125 T CB -0.490 68.371 68.868 -0.012 0.000 0.863 125 T HN 0.567 nan 8.240 nan 0.000 0.436 126 A N 1.415 124.232 122.820 -0.005 0.000 1.933 126 A HA 0.145 4.465 4.320 0.000 0.000 0.218 126 A C 2.649 180.233 177.584 0.000 0.000 1.175 126 A CA 1.864 53.900 52.037 -0.001 0.000 0.628 126 A CB -1.087 17.913 19.000 0.000 0.000 0.814 126 A HN 0.522 nan 8.150 nan 0.000 0.444 127 A N -0.623 122.197 122.820 -0.000 0.000 1.898 127 A HA 0.022 4.342 4.320 0.000 0.000 0.216 127 A C 2.218 179.803 177.584 0.002 0.000 1.181 127 A CA 1.693 53.732 52.037 0.003 0.000 0.620 127 A CB -0.921 18.081 19.000 0.004 0.000 0.819 127 A HN 0.381 nan 8.150 nan 0.000 0.442 128 V N 0.410 120.321 119.914 -0.004 0.000 2.343 128 V HA -0.223 3.897 4.120 0.000 0.000 0.247 128 V C 2.574 178.666 176.094 -0.002 0.000 1.051 128 V CA 2.158 64.454 62.300 -0.006 0.000 1.036 128 V CB -0.712 31.101 31.823 -0.016 0.000 0.654 128 V HN 0.506 nan 8.190 nan 0.000 0.451 129 E N -0.146 120.053 120.200 -0.002 0.000 2.110 129 E HA -0.233 4.117 4.350 0.000 0.000 0.193 129 E C 2.209 178.811 176.600 0.004 0.000 0.988 129 E CA 1.219 57.619 56.400 0.001 0.000 0.804 129 E CB -0.207 29.493 29.700 0.000 0.000 0.745 129 E HN 0.601 nan 8.360 nan 0.000 0.458 130 E N 0.232 120.435 120.200 0.006 0.000 2.150 130 E HA -0.092 4.258 4.350 0.000 0.000 0.193 130 E C 1.836 178.444 176.600 0.012 0.000 0.985 130 E CA 0.242 56.648 56.400 0.009 0.000 0.814 130 E CB -0.080 29.627 29.700 0.011 0.000 0.752 130 E HN 0.042 nan 8.360 nan 0.000 0.466 131 L N 0.819 122.049 121.223 0.011 0.000 2.046 131 L HA -0.121 4.219 4.340 0.000 0.000 0.208 131 L C 1.941 178.819 176.870 0.013 0.000 1.077 131 L CA 1.713 56.561 54.840 0.013 0.000 0.747 131 L CB -0.848 41.218 42.059 0.012 0.000 0.896 131 L HN 0.134 nan 8.230 nan 0.000 0.432 132 K N -0.705 119.700 120.400 0.009 0.000 2.063 132 K HA -0.155 4.165 4.320 0.000 0.000 0.208 132 K C 2.024 178.630 176.600 0.010 0.000 1.048 132 K CA 1.513 57.806 56.287 0.009 0.000 0.928 132 K CB -0.151 32.352 32.500 0.006 0.000 0.713 132 K HN 0.305 nan 8.250 nan 0.000 0.442 133 A N 1.279 124.105 122.820 0.011 0.000 1.968 133 A HA -0.071 4.250 4.320 0.000 0.000 0.217 133 A C 1.950 179.543 177.584 0.015 0.000 1.169 133 A CA 0.739 52.783 52.037 0.012 0.000 0.638 133 A CB -0.324 18.682 19.000 0.011 0.000 0.812 133 A HN 0.216 nan 8.150 nan 0.000 0.446 134 L N -0.237 120.996 121.223 0.018 0.000 2.395 134 L HA 0.053 4.393 4.340 0.000 0.000 0.218 134 L C 1.040 177.923 176.870 0.022 0.000 1.130 134 L CA 0.776 55.630 54.840 0.023 0.000 0.826 134 L CB -0.602 41.472 42.059 0.026 0.000 0.941 134 L HN 0.364 nan 8.230 nan 0.000 0.451 135 S N -0.480 115.232 115.700 0.019 0.000 2.564 135 S HA 0.228 4.699 4.470 0.000 0.000 0.278 135 S C -0.217 174.393 174.600 0.017 0.000 1.333 135 S CA -0.425 57.785 58.200 0.017 0.000 1.048 135 S CB 1.013 64.222 63.200 0.015 0.000 0.900 135 S HN 0.052 nan 8.310 nan 0.000 0.505 136 V N 7.757 127.681 119.914 0.017 0.000 2.417 136 V HA 0.413 4.533 4.120 0.000 0.000 0.291 136 V C -2.111 173.991 176.094 0.013 0.000 1.024 136 V CA -1.831 60.478 62.300 0.015 0.000 0.861 136 V CB 1.367 33.200 31.823 0.017 0.000 0.985 136 V HN 0.756 nan 8.190 nan 0.000 0.436 137 P HA 0.243 nan 4.420 nan 0.000 0.274 137 P C -0.714 176.591 177.300 0.009 0.000 1.246 137 P CA -0.456 62.650 63.100 0.010 0.000 0.795 137 P CB 0.515 32.220 31.700 0.008 0.000 1.006 138 C N 1.816 121.121 119.300 0.008 0.000 2.621 138 C HA 0.262 4.722 4.460 0.000 0.000 0.272 138 C C 1.641 176.635 174.990 0.006 0.000 1.119 138 C CA 0.186 59.208 59.018 0.007 0.000 1.593 138 C CB -1.139 26.606 27.740 0.008 0.000 1.749 138 C HN 0.560 nan 8.230 nan 0.000 0.420 139 S N 1.639 117.343 115.700 0.005 0.000 2.303 139 S HA -0.015 4.455 4.470 0.000 0.000 0.207 139 S C 0.582 175.184 174.600 0.004 0.000 1.025 139 S CA 0.572 58.775 58.200 0.004 0.000 0.953 139 S CB -0.256 62.946 63.200 0.004 0.000 0.932 139 S HN 0.899 nan 8.310 nan 0.000 0.472 140 D N 1.459 121.861 120.400 0.004 0.000 2.371 140 D HA 0.204 4.844 4.640 0.000 0.000 0.242 140 D C 0.943 177.245 176.300 0.003 0.000 1.218 140 D CA 0.169 54.170 54.000 0.003 0.000 0.945 140 D CB 0.304 41.106 40.800 0.003 0.000 1.137 140 D HN 0.235 nan 8.370 nan 0.000 0.464 141 S N -0.908 114.794 115.700 0.002 0.000 2.522 141 S HA -0.155 4.315 4.470 0.000 0.000 0.227 141 S C 1.566 176.167 174.600 0.002 0.000 0.986 141 S CA 0.595 58.797 58.200 0.002 0.000 0.929 141 S CB -0.402 62.799 63.200 0.002 0.000 0.769 141 S HN 0.594 nan 8.310 nan 0.000 0.529 142 K N 2.027 122.429 120.400 0.002 0.000 2.025 142 K HA 0.058 4.378 4.320 0.000 0.000 0.207 142 K C 2.267 178.868 176.600 0.003 0.000 1.049 142 K CA 1.189 57.477 56.287 0.002 0.000 0.933 142 K CB -0.673 31.829 32.500 0.002 0.000 0.714 142 K HN 0.367 nan 8.250 nan 0.000 0.438 143 A N 1.098 123.920 122.820 0.004 0.000 1.930 143 A HA -0.088 4.232 4.320 0.000 0.000 0.217 143 A C 2.102 179.689 177.584 0.005 0.000 1.175 143 A CA 1.378 53.418 52.037 0.004 0.000 0.627 143 A CB -0.574 18.430 19.000 0.005 0.000 0.815 143 A HN 0.375 nan 8.150 nan 0.000 0.443 144 I N -0.189 120.384 120.570 0.005 0.000 2.163 144 I HA -0.310 3.860 4.170 0.000 0.000 0.243 144 I C 2.976 179.096 176.117 0.005 0.000 1.085 144 I CA 1.133 62.436 61.300 0.005 0.000 1.347 144 I CB -0.292 37.710 38.000 0.005 0.000 1.044 144 I HN 0.362 nan 8.210 nan 0.000 0.408 145 A N -0.030 122.792 122.820 0.003 0.000 1.902 145 A HA -0.279 4.041 4.320 0.000 0.000 0.217 145 A C 2.248 179.833 177.584 0.002 0.000 1.181 145 A CA 1.688 53.727 52.037 0.002 0.000 0.623 145 A CB -0.670 18.331 19.000 0.001 0.000 0.818 145 A HN 0.453 nan 8.150 nan 0.000 0.443 146 Q N -0.620 119.180 119.800 0.001 0.000 2.096 146 Q HA -0.128 4.212 4.340 0.000 0.000 0.204 146 Q C 2.132 178.132 176.000 0.001 0.000 0.982 146 Q CA 1.779 57.582 55.803 0.000 0.000 0.850 146 Q CB -0.320 28.419 28.738 0.001 0.000 0.901 146 Q HN 0.506 nan 8.270 nan 0.000 0.422 147 V N -0.060 119.856 119.914 0.003 0.000 2.358 147 V HA -0.193 3.927 4.120 0.000 0.000 0.246 147 V C 2.170 178.267 176.094 0.005 0.000 1.047 147 V CA 1.928 64.231 62.300 0.005 0.000 1.035 147 V CB -1.130 30.698 31.823 0.008 0.000 0.658 147 V HN 0.546 nan 8.190 nan 0.000 0.452 148 G N -0.315 108.489 108.800 0.006 0.000 2.418 148 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 148 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 148 G C 1.693 176.593 174.900 0.000 0.000 1.158 148 G CA 1.592 46.696 45.100 0.006 0.000 0.771 148 G HN 0.467 nan 8.290 nan 0.000 0.545 149 T N 1.394 115.947 114.554 -0.001 0.000 2.684 149 T HA -0.096 4.254 4.350 0.000 0.000 0.267 149 T C 2.386 177.081 174.700 -0.007 0.000 1.036 149 T CA 1.176 63.273 62.100 -0.005 0.000 1.148 149 T CB -0.196 68.669 68.868 -0.005 0.000 0.863 149 T HN 0.241 nan 8.240 nan 0.000 0.436 150 I N 1.293 121.859 120.570 -0.007 0.000 2.226 150 I HA -0.139 4.031 4.170 0.000 0.000 0.245 150 I C 2.166 178.276 176.117 -0.010 0.000 1.100 150 I CA 1.013 62.307 61.300 -0.010 0.000 1.374 150 I CB -0.247 37.747 38.000 -0.009 0.000 1.057 150 I HN 0.146 nan 8.210 nan 0.000 0.413 151 S N 0.470 116.166 115.700 -0.007 0.000 2.660 151 S HA 0.213 4.683 4.470 0.000 0.000 0.223 151 S C 1.065 175.658 174.600 -0.013 0.000 0.963 151 S CA 0.618 58.814 58.200 -0.007 0.000 0.932 151 S CB 0.026 63.226 63.200 0.000 0.000 0.775 151 S HN 0.481 nan 8.310 nan 0.000 0.531 152 A N 1.626 124.438 122.820 -0.013 0.000 2.585 152 A HA 0.427 4.747 4.320 0.000 0.000 0.281 152 A C 0.107 177.681 177.584 -0.016 0.000 0.945 152 A CA -0.744 51.284 52.037 -0.015 0.000 1.031 152 A CB -0.090 18.903 19.000 -0.012 0.000 1.221 152 A HN 0.216 nan 8.150 nan 0.000 0.496 153 N N 0.290 118.980 118.700 -0.017 0.000 2.738 153 N HA -0.180 4.560 4.740 0.000 0.000 0.249 153 N C 0.374 175.874 175.510 -0.017 0.000 1.047 153 N CA 1.271 54.310 53.050 -0.019 0.000 0.707 153 N CB -2.128 36.348 38.487 -0.019 0.000 0.937 153 N HN 0.778 nan 8.380 nan 0.000 0.545 154 S N -2.478 113.213 115.700 -0.016 0.000 3.476 154 S HA -0.229 4.241 4.470 0.000 0.000 0.309 154 S C -0.088 174.505 174.600 -0.012 0.000 1.222 154 S CA 1.044 59.236 58.200 -0.014 0.000 0.922 154 S CB -0.763 62.427 63.200 -0.016 0.000 1.023 154 S HN 0.711 nan 8.310 nan 0.000 0.591 155 D N 1.394 121.787 120.400 -0.011 0.000 2.374 155 D HA 0.267 4.907 4.640 0.000 0.000 0.240 155 D C 1.021 177.317 176.300 -0.008 0.000 1.229 155 D CA -0.119 53.876 54.000 -0.010 0.000 0.895 155 D CB 0.491 41.285 40.800 -0.010 0.000 1.046 155 D HN 0.469 nan 8.370 nan 0.000 0.498 156 E N 1.190 121.386 120.200 -0.007 0.000 2.268 156 E HA -0.105 4.245 4.350 0.000 0.000 0.195 156 E C 1.443 178.041 176.600 -0.004 0.000 0.995 156 E CA 0.879 57.276 56.400 -0.005 0.000 0.836 156 E CB 0.325 30.022 29.700 -0.005 0.000 0.763 156 E HN 0.513 nan 8.360 nan 0.000 0.491 157 T N 0.434 114.985 114.554 -0.005 0.000 2.746 157 T HA -0.135 4.215 4.350 0.000 0.000 0.267 157 T C 2.090 176.789 174.700 -0.003 0.000 1.039 157 T CA 1.060 63.158 62.100 -0.004 0.000 1.142 157 T CB -0.196 68.669 68.868 -0.005 0.000 0.866 157 T HN 0.005 nan 8.240 nan 0.000 0.444 158 V N 1.566 121.478 119.914 -0.004 0.000 2.307 158 V HA -0.047 4.073 4.120 0.000 0.000 0.245 158 V C 2.939 179.033 176.094 -0.000 0.000 1.045 158 V CA 1.881 64.179 62.300 -0.002 0.000 1.024 158 V CB -1.457 30.363 31.823 -0.004 0.000 0.651 158 V HN 0.588 nan 8.190 nan 0.000 0.449 159 G N -0.365 108.434 108.800 -0.001 0.000 2.440 159 G HA2 -0.320 3.640 3.960 0.000 0.000 0.218 159 G HA3 -0.320 3.640 3.960 0.000 0.000 0.218 159 G C 1.648 176.549 174.900 0.001 0.000 1.154 159 G CA 1.153 46.254 45.100 0.001 0.000 0.767 159 G HN 0.480 nan 8.290 nan 0.000 0.552 160 K N -0.172 120.228 120.400 -0.000 0.000 2.032 160 K HA 0.021 4.341 4.320 0.000 0.000 0.209 160 K C 2.548 179.148 176.600 0.000 0.000 1.048 160 K CA 0.940 57.226 56.287 -0.000 0.000 0.927 160 K CB -0.282 32.217 32.500 -0.001 0.000 0.712 160 K HN 0.328 nan 8.250 nan 0.000 0.441 161 L N 0.757 121.980 121.223 0.001 0.000 1.989 161 L HA -0.225 4.115 4.340 0.000 0.000 0.211 161 L C 2.387 179.259 176.870 0.003 0.000 1.071 161 L CA 1.359 56.200 54.840 0.001 0.000 0.749 161 L CB -0.303 41.757 42.059 0.001 0.000 0.890 161 L HN 0.253 nan 8.230 nan 0.000 0.431 162 I N -0.603 119.970 120.570 0.005 0.000 2.226 162 I HA -0.297 3.873 4.170 0.000 0.000 0.245 162 I C 2.741 178.861 176.117 0.005 0.000 1.100 162 I CA 1.179 62.483 61.300 0.007 0.000 1.374 162 I CB -0.484 37.523 38.000 0.011 0.000 1.057 162 I HN 0.221 nan 8.210 nan 0.000 0.413 163 A N 0.421 123.243 122.820 0.004 0.000 1.902 163 A HA -0.239 4.081 4.320 0.000 0.000 0.217 163 A C 2.214 179.799 177.584 0.002 0.000 1.181 163 A CA 1.826 53.864 52.037 0.003 0.000 0.623 163 A CB -0.591 18.410 19.000 0.002 0.000 0.818 163 A HN 0.453 nan 8.150 nan 0.000 0.443 164 E N -0.411 119.790 120.200 0.001 0.000 2.106 164 E HA -0.039 4.311 4.350 0.000 0.000 0.192 164 E C 2.296 178.897 176.600 0.000 0.000 0.984 164 E CA 0.807 57.207 56.400 0.000 0.000 0.806 164 E CB -0.246 29.454 29.700 -0.000 0.000 0.750 164 E HN 0.629 nan 8.360 nan 0.000 0.458 165 A N 1.115 123.936 122.820 0.001 0.000 1.873 165 A HA -0.163 4.157 4.320 0.000 0.000 0.215 165 A C 2.155 179.739 177.584 -0.000 0.000 1.186 165 A CA 1.227 53.264 52.037 0.001 0.000 0.616 165 A CB -0.393 18.609 19.000 0.002 0.000 0.823 165 A HN 0.129 nan 8.150 nan 0.000 0.442 166 M N -0.959 118.642 119.600 0.001 0.000 2.279 166 M HA -0.150 4.331 4.480 0.000 0.000 0.264 166 M C 1.626 177.925 176.300 -0.001 0.000 1.062 166 M CA 1.733 57.033 55.300 -0.000 0.000 1.099 166 M CB -0.544 32.057 32.600 0.001 0.000 1.394 166 M HN 0.433 nan 8.290 nan 0.000 0.426 167 D N 0.546 120.946 120.400 -0.001 0.000 2.219 167 D HA -0.095 4.545 4.640 0.000 0.000 0.205 167 D C 1.909 178.207 176.300 -0.002 0.000 0.970 167 D CA 1.065 55.064 54.000 -0.001 0.000 0.851 167 D CB 0.247 41.047 40.800 -0.001 0.000 0.943 167 D HN 0.195 nan 8.370 nan 0.000 0.488 168 K N -0.639 119.760 120.400 -0.002 0.000 2.137 168 K HA -0.006 4.314 4.320 0.000 0.000 0.202 168 K C 1.609 178.207 176.600 -0.003 0.000 1.052 168 K CA 1.081 57.367 56.287 -0.003 0.000 0.961 168 K CB 0.565 33.063 32.500 -0.003 0.000 0.741 168 K HN 0.181 nan 8.250 nan 0.000 0.452 169 V N -3.547 116.365 119.914 -0.003 0.000 3.477 169 V HA 0.393 4.513 4.120 0.000 0.000 0.297 169 V C 0.512 176.604 176.094 -0.005 0.000 1.433 169 V CA 0.053 62.350 62.300 -0.004 0.000 1.052 169 V CB -0.023 31.797 31.823 -0.005 0.000 0.895 169 V HN 0.339 nan 8.190 nan 0.000 0.438 170 G N 1.576 110.374 108.800 -0.004 0.000 2.728 170 G HA2 -0.166 3.794 3.960 0.000 0.000 0.294 170 G HA3 -0.166 3.794 3.960 0.000 0.000 0.294 170 G C 0.232 175.129 174.900 -0.004 0.000 1.342 170 G CA 0.050 45.148 45.100 -0.004 0.000 0.866 170 G HN 0.209 nan 8.290 nan 0.000 0.534 171 K N 0.289 120.687 120.400 -0.004 0.000 2.057 171 K HA -0.022 4.298 4.320 0.000 0.000 0.206 171 K C 2.221 178.817 176.600 -0.007 0.000 1.050 171 K CA 1.919 58.204 56.287 -0.004 0.000 0.935 171 K CB -0.226 32.273 32.500 -0.003 0.000 0.715 171 K HN 0.651 nan 8.250 nan 0.000 0.439 172 E N 0.910 121.106 120.200 -0.007 0.000 2.208 172 E HA -0.034 4.316 4.350 0.000 0.000 0.193 172 E C 1.209 177.803 176.600 -0.011 0.000 0.988 172 E CA 0.251 56.646 56.400 -0.009 0.000 0.828 172 E CB -0.397 29.298 29.700 -0.008 0.000 0.763 172 E HN 0.249 nan 8.360 nan 0.000 0.478 173 G N 1.568 110.362 108.800 -0.009 0.000 2.647 173 G HA2 0.136 4.097 3.960 0.000 0.000 0.234 173 G HA3 0.136 4.097 3.960 0.000 0.000 0.234 173 G C 0.112 175.004 174.900 -0.014 0.000 1.252 173 G CA -0.400 44.695 45.100 -0.010 0.000 0.846 173 G HN -0.025 nan 8.290 nan 0.000 0.589 174 V N 1.983 121.889 119.914 -0.014 0.000 2.432 174 V HA 0.380 4.500 4.120 0.000 0.000 0.275 174 V C 0.365 176.449 176.094 -0.016 0.000 1.043 174 V CA -0.117 62.171 62.300 -0.020 0.000 0.925 174 V CB 0.869 32.680 31.823 -0.020 0.000 0.985 174 V HN 0.491 nan 8.190 nan 0.000 0.466 175 I N 3.748 124.307 120.570 -0.018 0.000 2.465 175 I HA 0.516 4.687 4.170 0.000 0.000 0.291 175 I C 0.015 176.129 176.117 -0.005 0.000 1.014 175 I CA -0.161 61.134 61.300 -0.008 0.000 1.093 175 I CB 2.333 40.331 38.000 -0.002 0.000 1.267 175 I HN 0.495 nan 8.210 nan 0.000 0.431 176 T N 4.898 119.451 114.554 -0.001 0.000 2.887 176 T HA 0.607 4.957 4.350 0.000 0.000 0.288 176 T C -0.564 174.141 174.700 0.009 0.000 1.021 176 T CA -0.506 61.596 62.100 0.003 0.000 1.000 176 T CB 2.216 71.081 68.868 -0.005 0.000 1.034 176 T HN 0.203 nan 8.240 nan 0.000 0.467 177 V N 2.906 122.829 119.914 0.015 0.000 2.495 177 V HA 0.556 4.676 4.120 0.000 0.000 0.298 177 V C -0.077 176.020 176.094 0.006 0.000 1.031 177 V CA -0.753 61.555 62.300 0.012 0.000 0.871 177 V CB 1.698 33.532 31.823 0.019 0.000 0.988 177 V HN 0.844 nan 8.190 nan 0.000 0.432 178 E N 1.411 121.612 120.200 0.002 0.000 2.359 178 E HA 0.406 4.756 4.350 0.000 0.000 0.266 178 E C -1.443 175.155 176.600 -0.003 0.000 0.920 178 E CA -1.054 55.346 56.400 -0.001 0.000 0.788 178 E CB 1.923 31.621 29.700 -0.003 0.000 1.279 178 E HN 0.651 nan 8.360 nan 0.000 0.438 179 D N 0.650 121.048 120.400 -0.004 0.000 2.443 179 D HA 0.177 4.817 4.640 0.000 0.000 0.239 179 D C 0.118 176.415 176.300 -0.005 0.000 1.136 179 D CA 0.464 54.461 54.000 -0.005 0.000 0.879 179 D CB 0.762 41.558 40.800 -0.005 0.000 1.195 179 D HN 0.461 nan 8.370 nan 0.000 0.443 180 G N -0.366 108.431 108.800 -0.005 0.000 2.562 180 G HA2 0.365 4.325 3.960 0.000 0.000 0.275 180 G HA3 0.365 4.325 3.960 0.000 0.000 0.275 180 G C 0.856 175.753 174.900 -0.005 0.000 1.196 180 G CA -0.200 44.897 45.100 -0.005 0.000 0.908 180 G HN 0.484 nan 8.290 nan 0.000 0.524 181 T N -3.294 111.257 114.554 -0.005 0.000 3.001 181 T HA 0.511 4.862 4.350 0.000 0.000 0.251 181 T C 1.007 175.705 174.700 -0.004 0.000 1.040 181 T CA 0.800 62.897 62.100 -0.004 0.000 0.985 181 T CB 0.474 69.340 68.868 -0.004 0.000 1.011 181 T HN 1.162 nan 8.240 nan 0.000 0.509 182 G N 0.902 109.700 108.800 -0.004 0.000 2.694 182 G HA2 0.450 4.411 3.960 0.000 0.000 0.246 182 G HA3 0.450 4.411 3.960 0.000 0.000 0.246 182 G C -0.138 174.759 174.900 -0.004 0.000 1.205 182 G CA -0.103 44.995 45.100 -0.004 0.000 0.891 182 G HN 0.143 nan 8.290 nan 0.000 0.515 183 L N 0.434 121.655 121.223 -0.004 0.000 2.095 183 L HA 0.319 4.659 4.340 0.000 0.000 0.204 183 L C 1.434 178.301 176.870 -0.004 0.000 1.080 183 L CA 1.738 56.576 54.840 -0.004 0.000 0.759 183 L CB -0.560 41.497 42.059 -0.004 0.000 0.914 183 L HN 0.663 nan 8.230 nan 0.000 0.439 184 Q N -0.124 119.674 119.800 -0.004 0.000 2.226 184 Q HA 0.273 4.613 4.340 0.000 0.000 0.256 184 Q C -0.999 174.999 176.000 -0.004 0.000 0.962 184 Q CA -0.934 54.866 55.803 -0.004 0.000 0.887 184 Q CB 1.028 29.764 28.738 -0.003 0.000 1.282 184 Q HN 0.157 nan 8.270 nan 0.000 0.449 185 D N 1.383 121.781 120.400 -0.004 0.000 2.361 185 D HA 0.135 4.775 4.640 0.000 0.000 0.239 185 D C -0.464 175.834 176.300 -0.003 0.000 1.200 185 D CA 0.328 54.326 54.000 -0.003 0.000 0.915 185 D CB 0.826 41.624 40.800 -0.003 0.000 1.170 185 D HN 0.474 nan 8.370 nan 0.000 0.444 186 E N -0.337 119.861 120.200 -0.003 0.000 2.340 186 E HA 0.519 4.869 4.350 0.000 0.000 0.273 186 E C -1.225 175.374 176.600 -0.003 0.000 0.891 186 E CA -0.872 55.526 56.400 -0.003 0.000 0.757 186 E CB 2.519 32.217 29.700 -0.004 0.000 1.231 186 E HN 0.069 nan 8.360 nan 0.000 0.439 187 L N 2.458 123.679 121.223 -0.003 0.000 2.439 187 L HA 0.505 4.845 4.340 0.000 0.000 0.270 187 L C -1.836 175.032 176.870 -0.003 0.000 0.972 187 L CA -0.156 54.682 54.840 -0.003 0.000 0.836 187 L CB 1.512 43.570 42.059 -0.002 0.000 1.255 187 L HN 0.420 nan 8.230 nan 0.000 0.404 188 D N 3.652 124.050 120.400 -0.004 0.000 2.819 188 D HA 0.480 5.120 4.640 0.000 0.000 0.232 188 D C -1.177 175.120 176.300 -0.005 0.000 1.160 188 D CA -0.189 53.808 54.000 -0.005 0.000 0.858 188 D CB 3.089 43.885 40.800 -0.006 0.000 1.610 188 D HN 0.253 nan 8.370 nan 0.000 0.481 189 V N 1.898 121.809 119.914 -0.005 0.000 2.370 189 V HA 0.427 4.547 4.120 0.000 0.000 0.279 189 V C 0.476 176.567 176.094 -0.006 0.000 1.029 189 V CA -0.635 61.662 62.300 -0.005 0.000 0.870 189 V CB 1.223 33.043 31.823 -0.005 0.000 0.984 189 V HN 0.411 nan 8.190 nan 0.000 0.451 190 V N 1.573 121.483 119.914 -0.007 0.000 3.046 190 V HA 0.679 4.799 4.120 0.000 0.000 0.316 190 V C -0.128 175.962 176.094 -0.006 0.000 1.104 190 V CA -1.074 61.221 62.300 -0.008 0.000 1.006 190 V CB 2.066 33.883 31.823 -0.010 0.000 1.058 190 V HN 0.688 nan 8.190 nan 0.000 0.440 191 E N 1.741 121.937 120.200 -0.007 0.000 2.406 191 E HA 0.506 4.856 4.350 0.000 0.000 0.258 191 E C 0.273 176.872 176.600 -0.002 0.000 1.043 191 E CA 0.891 57.288 56.400 -0.004 0.000 0.929 191 E CB 0.639 30.335 29.700 -0.006 0.000 0.969 191 E HN 1.168 nan 8.360 nan 0.000 0.462 192 G N 1.564 110.366 108.800 0.004 0.000 2.606 192 G HA2 0.620 4.580 3.960 0.000 0.000 0.300 192 G HA3 0.620 4.580 3.960 0.000 0.000 0.300 192 G C -1.280 173.634 174.900 0.023 0.000 1.360 192 G CA -0.708 44.398 45.100 0.011 0.000 0.783 192 G HN 0.400 nan 8.290 nan 0.000 0.484 193 M N -0.090 119.531 119.600 0.036 0.000 2.490 193 M HA 0.558 5.038 4.480 0.000 0.000 0.286 193 M C -2.253 174.080 176.300 0.055 0.000 1.185 193 M CA -0.621 54.719 55.300 0.067 0.000 0.912 193 M CB 2.471 35.141 32.600 0.116 0.000 1.744 193 M HN 0.652 nan 8.290 nan 0.000 0.494 194 Q N 3.745 123.579 119.800 0.056 0.000 2.323 194 Q HA 0.642 4.983 4.340 0.000 0.000 0.271 194 Q C -2.155 173.883 176.000 0.063 0.000 1.048 194 Q CA -0.628 55.155 55.803 -0.033 0.000 0.792 194 Q CB 1.943 30.642 28.738 -0.065 0.000 1.280 194 Q HN 0.614 nan 8.270 nan 0.000 0.441 195 F N -0.095 119.847 119.950 -0.014 0.000 2.593 195 F HA 0.530 5.057 4.527 0.000 0.000 0.320 195 F C -0.360 175.432 175.800 -0.014 0.000 1.060 195 F CA -1.240 56.754 58.000 -0.011 0.000 0.940 195 F CB 1.031 40.028 39.000 -0.006 0.000 1.268 195 F HN 0.334 nan 8.300 nan 0.000 0.475 196 D N 1.910 122.422 120.400 0.187 0.000 3.032 196 D HA 0.202 4.842 4.640 0.000 0.000 0.241 196 D C -0.484 175.877 176.300 0.103 0.000 1.196 196 D CA 0.306 54.353 54.000 0.079 0.000 0.927 196 D CB -0.162 40.681 40.800 0.071 0.000 1.129 196 D HN 0.243 nan 8.370 nan 0.000 0.458 197 R N 0.112 120.666 120.500 0.090 0.000 2.574 197 R HA 0.622 4.962 4.340 0.000 0.000 0.288 197 R C 0.328 176.590 176.300 -0.064 0.000 1.004 197 R CA -0.722 55.432 56.100 0.091 0.000 0.895 197 R CB 1.949 32.437 30.300 0.313 0.000 1.191 197 R HN 0.205 nan 8.270 nan 0.000 0.444 198 G N 1.015 109.748 108.800 -0.112 0.000 2.671 198 G HA2 0.414 4.374 3.960 0.000 0.000 0.275 198 G HA3 0.414 4.374 3.960 0.000 0.000 0.275 198 G C -0.670 174.153 174.900 -0.129 0.000 1.368 198 G CA -0.574 44.391 45.100 -0.224 0.000 1.044 198 G HN 0.468 nan 8.290 nan 0.000 0.543 199 Y N -1.091 119.242 120.300 0.055 0.000 2.578 199 Y HA 0.351 4.902 4.550 0.000 0.000 0.339 199 Y C 1.209 177.209 175.900 0.167 0.000 1.231 199 Y CA -0.767 57.407 58.100 0.124 0.000 1.461 199 Y CB 0.472 39.055 38.460 0.204 0.000 1.323 199 Y HN 0.167 nan 8.280 nan 0.000 0.590 200 L N 1.521 123.002 121.223 0.431 0.000 2.418 200 L HA 0.076 4.416 4.340 0.000 0.000 0.218 200 L C 0.817 177.929 176.870 0.403 0.000 1.125 200 L CA 0.876 55.924 54.840 0.347 0.000 0.835 200 L CB 0.046 42.277 42.059 0.286 0.000 0.953 200 L HN 0.768 nan 8.230 nan 0.000 0.454 201 S N -1.594 114.437 115.700 0.551 0.000 2.571 201 S HA 0.388 4.858 4.470 0.000 0.000 0.284 201 S C -2.156 172.497 174.600 0.088 0.000 1.128 201 S CA -1.298 57.048 58.200 0.242 0.000 0.970 201 S CB 1.651 64.781 63.200 -0.116 0.000 1.039 201 S HN -0.230 nan 8.310 nan 0.000 0.485 202 P HA -0.025 nan 4.420 nan 0.000 0.222 202 P C 0.412 177.409 177.300 -0.505 0.000 1.147 202 P CA 0.961 63.781 63.100 -0.468 0.000 0.790 202 P CB -0.104 31.405 31.700 -0.318 0.000 0.780 203 Y N -2.436 117.651 120.300 -0.355 0.000 2.574 203 Y HA -0.085 4.465 4.550 0.000 0.000 0.294 203 Y C 1.749 177.449 175.900 -0.334 0.000 1.142 203 Y CA 0.719 58.611 58.100 -0.346 0.000 1.314 203 Y CB -1.122 37.115 38.460 -0.372 0.000 0.991 203 Y HN -0.074 nan 8.280 nan 0.000 0.555 204 F N -0.287 119.627 119.950 -0.060 0.000 2.407 204 F HA -0.002 4.525 4.527 0.000 0.000 0.299 204 F C 0.994 176.720 175.800 -0.123 0.000 1.097 204 F CA -0.253 57.707 58.000 -0.067 0.000 1.422 204 F CB -0.709 38.266 39.000 -0.041 0.000 1.067 204 F HN -0.156 nan 8.300 nan 0.000 0.539 205 I N 2.769 123.284 120.570 -0.091 0.000 2.671 205 I HA -0.146 4.024 4.170 0.000 0.000 0.285 205 I C 0.980 177.068 176.117 -0.049 0.000 1.148 205 I CA 0.110 61.340 61.300 -0.116 0.000 1.386 205 I CB 0.158 38.023 38.000 -0.225 0.000 1.406 205 I HN 0.175 nan 8.210 nan 0.000 0.540 206 N N 5.794 124.486 118.700 -0.013 0.000 2.356 206 N HA -0.017 4.723 4.740 0.000 0.000 0.178 206 N C 0.037 175.533 175.510 -0.022 0.000 1.075 206 N CA 0.293 53.338 53.050 -0.009 0.000 0.889 206 N CB 0.258 38.752 38.487 0.012 0.000 0.999 206 N HN 0.432 nan 8.380 nan 0.000 0.464 207 K N 1.032 121.419 120.400 -0.023 0.000 2.419 207 K HA 0.305 4.625 4.320 0.000 0.000 0.244 207 K C -2.069 174.511 176.600 -0.033 0.000 1.045 207 K CA -1.848 54.424 56.287 -0.024 0.000 1.004 207 K CB 2.207 34.700 32.500 -0.011 0.000 1.376 207 K HN -0.052 nan 8.250 nan 0.000 0.460 208 P HA -0.169 nan 4.420 nan 0.000 0.217 208 P C 1.067 178.343 177.300 -0.040 0.000 1.151 208 P CA 0.894 63.962 63.100 -0.053 0.000 0.828 208 P CB 0.444 32.105 31.700 -0.065 0.000 0.788 209 E N -0.230 119.948 120.200 -0.037 0.000 2.058 209 E HA -0.159 4.191 4.350 0.000 0.000 0.194 209 E C 1.706 178.290 176.600 -0.027 0.000 0.997 209 E CA 2.211 58.591 56.400 -0.034 0.000 0.801 209 E CB -1.212 28.467 29.700 -0.035 0.000 0.746 209 E HN 0.156 nan 8.360 nan 0.000 0.450 210 T N -1.371 113.173 114.554 -0.017 0.000 2.857 210 T HA 0.087 4.437 4.350 0.000 0.000 0.266 210 T C 1.419 176.133 174.700 0.023 0.000 1.048 210 T CA 0.955 63.056 62.100 0.001 0.000 1.139 210 T CB -0.467 68.410 68.868 0.015 0.000 0.874 210 T HN 0.413 nan 8.240 nan 0.000 0.455 211 G N 1.526 110.333 108.800 0.011 0.000 2.198 211 G HA2 0.070 4.031 3.960 0.000 0.000 0.257 211 G HA3 0.070 4.031 3.960 0.000 0.000 0.257 211 G C 0.030 174.976 174.900 0.076 0.000 1.042 211 G CA 0.053 45.168 45.100 0.025 0.000 0.791 211 G HN 0.988 nan 8.290 nan 0.000 0.502 212 A N -1.516 121.337 122.820 0.054 0.000 2.486 212 A HA 0.932 5.252 4.320 0.000 0.000 0.289 212 A C -0.405 177.207 177.584 0.046 0.000 1.176 212 A CA -0.239 51.854 52.037 0.093 0.000 0.757 212 A CB 1.900 20.952 19.000 0.086 0.000 1.337 212 A HN 1.275 nan 8.150 nan 0.000 0.423 213 V N 1.391 121.347 119.914 0.070 0.000 2.347 213 V HA 0.402 4.522 4.120 0.000 0.000 0.280 213 V C 0.036 176.147 176.094 0.028 0.000 1.021 213 V CA -0.446 61.882 62.300 0.045 0.000 0.847 213 V CB 1.146 33.006 31.823 0.062 0.000 0.990 213 V HN 0.862 nan 8.190 nan 0.000 0.444 214 E N 4.940 125.151 120.200 0.019 0.000 2.175 214 E HA 0.642 4.992 4.350 0.000 0.000 0.278 214 E C -1.590 175.016 176.600 0.010 0.000 0.969 214 E CA -0.589 55.818 56.400 0.010 0.000 0.796 214 E CB 1.529 31.233 29.700 0.007 0.000 1.104 214 E HN 0.610 nan 8.360 nan 0.000 0.395 215 L N 4.690 125.916 121.223 0.005 0.000 2.491 215 L HA 0.280 4.620 4.340 0.000 0.000 0.267 215 L C -0.491 176.379 176.870 0.001 0.000 0.971 215 L CA -0.673 54.171 54.840 0.007 0.000 0.857 215 L CB 1.770 43.833 42.059 0.006 0.000 1.226 215 L HN 0.537 nan 8.230 nan 0.000 0.408 216 E N 1.266 121.468 120.200 0.003 0.000 2.227 216 E HA 0.419 4.769 4.350 0.000 0.000 0.282 216 E C -0.235 176.360 176.600 -0.009 0.000 1.015 216 E CA -0.759 55.638 56.400 -0.005 0.000 0.823 216 E CB 1.355 31.053 29.700 -0.003 0.000 1.081 216 E HN 0.463 nan 8.360 nan 0.000 0.396 217 S N 1.947 117.628 115.700 -0.032 0.000 3.628 217 S HA -0.114 4.356 4.470 0.000 0.000 0.373 217 S C -2.230 172.324 174.600 -0.077 0.000 0.968 217 S CA 0.630 58.789 58.200 -0.067 0.000 1.215 217 S CB -1.523 61.642 63.200 -0.057 0.000 0.912 217 S HN 0.645 nan 8.310 nan 0.000 0.495 218 P HA 0.583 nan 4.420 nan 0.000 0.290 218 P C -0.137 177.126 177.300 -0.062 0.000 1.275 218 P CA -0.776 62.326 63.100 0.003 0.000 0.841 218 P CB 0.512 32.227 31.700 0.025 0.000 1.042 219 F N 1.301 121.251 119.950 -0.000 0.000 2.429 219 F HA 0.321 4.848 4.527 0.000 0.000 0.348 219 F C 0.967 176.768 175.800 0.001 0.000 1.109 219 F CA 0.090 58.091 58.000 0.001 0.000 1.232 219 F CB 0.407 39.408 39.000 0.001 0.000 1.157 219 F HN 0.036 nan 8.300 nan 0.000 0.564 220 I N 4.698 125.362 120.570 0.156 0.000 2.389 220 I HA 0.272 4.443 4.170 0.000 0.000 0.288 220 I C -1.133 175.040 176.117 0.095 0.000 0.999 220 I CA -0.846 60.512 61.300 0.097 0.000 1.129 220 I CB 1.737 39.771 38.000 0.057 0.000 1.288 220 I HN 0.310 nan 8.210 nan 0.000 0.444 221 L N 8.123 129.390 121.223 0.074 0.000 2.287 221 L HA 0.539 4.879 4.340 0.000 0.000 0.287 221 L C -1.170 175.720 176.870 0.033 0.000 1.022 221 L CA -0.333 54.539 54.840 0.053 0.000 0.814 221 L CB 0.992 43.076 42.059 0.043 0.000 1.217 221 L HN 0.342 nan 8.230 nan 0.000 0.420 222 L N 5.725 126.961 121.223 0.022 0.000 2.305 222 L HA 0.835 5.175 4.340 0.000 0.000 0.284 222 L C -0.163 176.707 176.870 0.001 0.000 1.013 222 L CA -0.635 54.207 54.840 0.004 0.000 0.819 222 L CB 0.702 42.757 42.059 -0.007 0.000 1.227 222 L HN 0.798 nan 8.230 nan 0.000 0.417 223 A N 2.022 124.840 122.820 -0.003 0.000 2.429 223 A HA 0.460 4.780 4.320 0.000 0.000 0.289 223 A C -0.573 177.008 177.584 -0.005 0.000 1.043 223 A CA -0.526 51.510 52.037 -0.001 0.000 0.722 223 A CB 1.044 20.047 19.000 0.006 0.000 1.243 223 A HN 0.601 nan 8.150 nan 0.000 0.415 224 D N 2.110 122.505 120.400 -0.007 0.000 2.845 224 D HA 0.327 4.967 4.640 0.000 0.000 0.235 224 D C 0.058 176.360 176.300 0.002 0.000 1.158 224 D CA 0.415 54.411 54.000 -0.007 0.000 0.990 224 D CB -0.446 40.347 40.800 -0.013 0.000 1.094 224 D HN 0.598 nan 8.370 nan 0.000 0.486 225 K N -0.905 119.499 120.400 0.007 0.000 2.575 225 K HA 0.418 4.738 4.320 0.000 0.000 0.279 225 K C -0.928 175.682 176.600 0.018 0.000 0.969 225 K CA -1.121 55.173 56.287 0.012 0.000 0.868 225 K CB 1.294 33.800 32.500 0.011 0.000 1.457 225 K HN -0.254 nan 8.250 nan 0.000 0.426 226 K N 1.745 122.158 120.400 0.021 0.000 2.276 226 K HA 0.318 4.638 4.320 0.000 0.000 0.283 226 K C -0.585 176.030 176.600 0.025 0.000 1.044 226 K CA -0.377 55.926 56.287 0.026 0.000 0.944 226 K CB 0.616 33.133 32.500 0.027 0.000 1.012 226 K HN 0.430 nan 8.250 nan 0.000 0.472 227 I N 2.365 122.953 120.570 0.030 0.000 2.312 227 I HA 0.058 4.228 4.170 0.000 0.000 0.290 227 I C 0.651 176.788 176.117 0.033 0.000 1.008 227 I CA 0.019 61.336 61.300 0.029 0.000 1.226 227 I CB 1.663 39.682 38.000 0.032 0.000 1.371 227 I HN 0.634 nan 8.210 nan 0.000 0.468 228 S N 3.530 119.247 115.700 0.027 0.000 2.545 228 S HA 0.222 4.692 4.470 0.000 0.000 0.232 228 S C 0.560 175.174 174.600 0.023 0.000 1.070 228 S CA 0.028 58.244 58.200 0.026 0.000 0.923 228 S CB 0.206 63.419 63.200 0.021 0.000 0.806 228 S HN 0.588 nan 8.310 nan 0.000 0.506 229 N N 0.667 119.379 118.700 0.020 0.000 2.384 229 N HA 0.433 5.173 4.740 0.000 0.000 0.301 229 N C -0.016 175.504 175.510 0.017 0.000 1.133 229 N CA -0.488 52.572 53.050 0.016 0.000 0.853 229 N CB 1.556 40.050 38.487 0.012 0.000 1.241 229 N HN -0.041 nan 8.380 nan 0.000 0.502 230 I N 1.612 122.191 120.570 0.015 0.000 3.419 230 I HA 0.021 4.191 4.170 0.000 0.000 0.286 230 I C 2.153 178.276 176.117 0.009 0.000 1.268 230 I CA 0.504 61.812 61.300 0.015 0.000 1.414 230 I CB -0.041 37.967 38.000 0.014 0.000 1.074 230 I HN 0.505 nan 8.210 nan 0.000 0.457 231 R N -0.026 120.478 120.500 0.007 0.000 2.148 231 R HA -0.059 4.281 4.340 0.000 0.000 0.227 231 R C 1.547 177.849 176.300 0.003 0.000 1.103 231 R CA 1.308 57.411 56.100 0.004 0.000 0.983 231 R CB -0.684 29.618 30.300 0.003 0.000 0.874 231 R HN 0.355 nan 8.270 nan 0.000 0.451 232 E N 0.094 120.298 120.200 0.005 0.000 2.358 232 E HA -0.008 4.342 4.350 0.000 0.000 0.195 232 E C 1.593 178.195 176.600 0.004 0.000 1.010 232 E CA 0.586 56.989 56.400 0.005 0.000 0.856 232 E CB 0.174 29.878 29.700 0.007 0.000 0.795 232 E HN 0.369 nan 8.360 nan 0.000 0.504 233 M N -0.056 119.547 119.600 0.005 0.000 2.501 233 M HA 0.058 4.538 4.480 0.000 0.000 0.261 233 M C 2.089 178.388 176.300 -0.003 0.000 1.129 233 M CA 0.473 55.776 55.300 0.004 0.000 1.126 233 M CB -0.255 32.353 32.600 0.013 0.000 1.359 233 M HN 0.136 nan 8.290 nan 0.000 0.471 234 L N 0.452 121.673 121.223 -0.003 0.000 2.012 234 L HA -0.187 4.153 4.340 0.000 0.000 0.210 234 L C -0.504 176.357 176.870 -0.015 0.000 1.073 234 L CA 1.666 56.501 54.840 -0.007 0.000 0.748 234 L CB -1.982 40.074 42.059 -0.005 0.000 0.891 234 L HN 0.174 nan 8.230 nan 0.000 0.431 235 P HA -0.088 nan 4.420 nan 0.000 0.223 235 P C 1.675 178.955 177.300 -0.032 0.000 1.151 235 P CA 0.886 63.974 63.100 -0.021 0.000 0.787 235 P CB 0.107 31.797 31.700 -0.016 0.000 0.788 236 V N -0.845 119.050 119.914 -0.031 0.000 2.379 236 V HA -0.132 3.989 4.120 0.000 0.000 0.243 236 V C 2.390 178.447 176.094 -0.062 0.000 1.035 236 V CA 1.267 63.540 62.300 -0.045 0.000 1.035 236 V CB -1.259 30.548 31.823 -0.028 0.000 0.673 236 V HN 0.022 nan 8.190 nan 0.000 0.457 237 L N -0.075 121.124 121.223 -0.041 0.000 2.083 237 L HA -0.123 4.217 4.340 0.000 0.000 0.209 237 L C 2.746 179.584 176.870 -0.052 0.000 1.083 237 L CA 1.313 56.129 54.840 -0.040 0.000 0.752 237 L CB -0.574 41.475 42.059 -0.016 0.000 0.899 237 L HN 0.315 nan 8.230 nan 0.000 0.433 238 E N 0.120 120.292 120.200 -0.047 0.000 2.150 238 E HA -0.136 4.214 4.350 0.000 0.000 0.193 238 E C 2.265 178.824 176.600 -0.070 0.000 0.985 238 E CA 1.230 57.602 56.400 -0.047 0.000 0.814 238 E CB -0.159 29.521 29.700 -0.034 0.000 0.752 238 E HN 0.476 nan 8.360 nan 0.000 0.466 239 A N 0.881 123.646 122.820 -0.092 0.000 1.968 239 A HA -0.051 4.269 4.320 0.000 0.000 0.217 239 A C 2.556 180.009 177.584 -0.219 0.000 1.169 239 A CA 0.804 52.761 52.037 -0.133 0.000 0.638 239 A CB -0.382 18.540 19.000 -0.130 0.000 0.812 239 A HN 0.115 nan 8.150 nan 0.000 0.446 240 V N -0.196 119.587 119.914 -0.219 0.000 2.307 240 V HA -0.194 3.926 4.120 0.000 0.000 0.245 240 V C 2.998 178.991 176.094 -0.167 0.000 1.045 240 V CA 1.867 64.000 62.300 -0.278 0.000 1.024 240 V CB -0.962 30.757 31.823 -0.173 0.000 0.651 240 V HN 0.574 nan 8.190 nan 0.000 0.449 241 A N -0.348 122.416 122.820 -0.094 0.000 2.067 241 A HA -0.200 4.120 4.320 0.000 0.000 0.219 241 A C 2.155 179.712 177.584 -0.046 0.000 1.158 241 A CA 1.885 53.893 52.037 -0.049 0.000 0.661 241 A CB -0.402 18.580 19.000 -0.030 0.000 0.801 241 A HN 0.483 nan 8.150 nan 0.000 0.452 242 K N 0.330 120.688 120.400 -0.069 0.000 2.057 242 K HA 0.023 4.343 4.320 0.000 0.000 0.207 242 K C 1.882 178.457 176.600 -0.040 0.000 1.049 242 K CA 1.559 57.814 56.287 -0.053 0.000 0.931 242 K CB -0.421 32.040 32.500 -0.065 0.000 0.714 242 K HN 0.310 nan 8.250 nan 0.000 0.440 243 A N -0.442 122.337 122.820 -0.070 0.000 2.067 243 A HA 0.192 4.512 4.320 0.000 0.000 0.217 243 A C 1.442 179.058 177.584 0.053 0.000 1.156 243 A CA 0.977 53.014 52.037 0.001 0.000 0.683 243 A CB -0.706 18.284 19.000 -0.017 0.000 0.808 243 A HN 0.546 nan 8.150 nan 0.000 0.455 244 G N -0.943 107.872 108.800 0.026 0.000 2.198 244 G HA2 -0.209 3.751 3.960 0.000 0.000 0.257 244 G HA3 -0.209 3.751 3.960 0.000 0.000 0.257 244 G C -0.064 174.882 174.900 0.077 0.000 1.042 244 G CA 0.614 45.739 45.100 0.042 0.000 0.791 244 G HN 0.435 nan 8.290 nan 0.000 0.502 245 K N -0.347 120.125 120.400 0.119 0.000 2.385 245 K HA 0.557 4.877 4.320 0.000 0.000 0.248 245 K C -2.451 174.246 176.600 0.162 0.000 0.955 245 K CA -2.052 54.337 56.287 0.170 0.000 0.816 245 K CB 2.059 34.736 32.500 0.296 0.000 1.250 245 K HN -0.036 nan 8.250 nan 0.000 0.434 246 P HA 0.088 nan 4.420 nan 0.000 0.270 246 P C -0.831 176.548 177.300 0.132 0.000 1.227 246 P CA -0.431 62.727 63.100 0.096 0.000 0.788 246 P CB 0.402 32.139 31.700 0.061 0.000 0.926 247 L N 1.799 123.069 121.223 0.079 0.000 2.439 247 L HA 0.538 4.878 4.340 0.000 0.000 0.270 247 L C -1.649 175.234 176.870 0.021 0.000 0.972 247 L CA -0.740 54.148 54.840 0.080 0.000 0.836 247 L CB 1.496 43.586 42.059 0.053 0.000 1.255 247 L HN 0.106 nan 8.230 nan 0.000 0.404 248 L N 6.391 127.633 121.223 0.033 0.000 2.272 248 L HA 0.658 4.998 4.340 0.000 0.000 0.289 248 L C -0.985 175.897 176.870 0.019 0.000 1.032 248 L CA 0.023 54.862 54.840 -0.002 0.000 0.810 248 L CB 1.002 43.069 42.059 0.013 0.000 1.205 248 L HN 0.587 nan 8.230 nan 0.000 0.422 249 I N 6.271 126.838 120.570 -0.006 0.000 2.354 249 I HA 0.425 4.596 4.170 0.000 0.000 0.292 249 I C -0.545 175.590 176.117 0.029 0.000 0.989 249 I CA -0.376 60.933 61.300 0.015 0.000 1.188 249 I CB 1.295 39.300 38.000 0.009 0.000 1.342 249 I HN 0.450 nan 8.210 nan 0.000 0.457 250 I N 5.823 126.415 120.570 0.037 0.000 2.418 250 I HA 0.806 4.976 4.170 0.000 0.000 0.287 250 I C 0.025 176.149 176.117 0.012 0.000 1.008 250 I CA -0.228 61.095 61.300 0.038 0.000 1.104 250 I CB 1.666 39.687 38.000 0.035 0.000 1.264 250 I HN 0.744 nan 8.210 nan 0.000 0.438 251 A N 4.492 127.323 122.820 0.017 0.000 2.567 251 A HA 0.495 4.815 4.320 0.000 0.000 0.289 251 A C 0.550 178.144 177.584 0.017 0.000 1.177 251 A CA -0.536 51.509 52.037 0.012 0.000 0.694 251 A CB 1.092 20.105 19.000 0.022 0.000 1.292 251 A HN 0.694 nan 8.150 nan 0.000 0.425 252 E N -0.404 119.807 120.200 0.018 0.000 2.086 252 E HA -0.169 4.182 4.350 0.000 0.000 0.200 252 E C -0.309 176.315 176.600 0.040 0.000 1.012 252 E CA 2.011 58.428 56.400 0.028 0.000 0.812 252 E CB 0.102 29.819 29.700 0.029 0.000 0.743 252 E HN 0.542 nan 8.360 nan 0.000 0.453 253 D N -2.311 118.115 120.400 0.043 0.000 2.694 253 D HA 0.169 4.809 4.640 0.000 0.000 0.260 253 D C -1.866 174.468 176.300 0.057 0.000 1.250 253 D CA -0.459 53.573 54.000 0.054 0.000 0.763 253 D CB 1.895 42.724 40.800 0.050 0.000 1.311 253 D HN -0.220 nan 8.370 nan 0.000 0.420 254 V N 2.116 122.074 119.914 0.073 0.000 2.443 254 V HA 0.514 4.634 4.120 0.000 0.000 0.293 254 V C -0.239 175.904 176.094 0.083 0.000 1.021 254 V CA -0.554 61.794 62.300 0.081 0.000 0.848 254 V CB 1.565 33.450 31.823 0.104 0.000 0.998 254 V HN 0.418 nan 8.190 nan 0.000 0.424 255 E N 2.280 122.518 120.200 0.064 0.000 2.277 255 E HA 0.656 5.007 4.350 0.000 0.000 0.266 255 E C 0.898 177.525 176.600 0.045 0.000 0.901 255 E CA -0.019 56.414 56.400 0.054 0.000 0.782 255 E CB 2.322 32.047 29.700 0.042 0.000 1.228 255 E HN 0.800 nan 8.360 nan 0.000 0.424 256 G N 2.228 111.051 108.800 0.038 0.000 2.704 256 G HA2 -0.473 3.487 3.960 0.000 0.000 0.344 256 G HA3 -0.473 3.487 3.960 0.000 0.000 0.344 256 G C 1.130 176.042 174.900 0.019 0.000 1.200 256 G CA 0.995 46.109 45.100 0.024 0.000 0.962 256 G HN 0.668 nan 8.290 nan 0.000 0.552 257 E N 1.372 121.582 120.200 0.016 0.000 2.047 257 E HA -0.009 4.341 4.350 0.000 0.000 0.191 257 E C 2.997 179.608 176.600 0.017 0.000 0.987 257 E CA 1.868 58.275 56.400 0.011 0.000 0.799 257 E CB -0.488 29.217 29.700 0.009 0.000 0.752 257 E HN 0.743 nan 8.360 nan 0.000 0.449 258 A N 1.078 123.915 122.820 0.028 0.000 1.969 258 A HA -0.128 4.192 4.320 0.000 0.000 0.218 258 A C 2.156 179.776 177.584 0.060 0.000 1.169 258 A CA 1.021 53.082 52.037 0.040 0.000 0.635 258 A CB -0.477 18.548 19.000 0.042 0.000 0.810 258 A HN 0.328 nan 8.150 nan 0.000 0.445 259 L N -0.301 120.961 121.223 0.065 0.000 2.027 259 L HA 0.001 4.341 4.340 0.000 0.000 0.206 259 L C 2.671 179.565 176.870 0.040 0.000 1.074 259 L CA 2.140 57.034 54.840 0.090 0.000 0.745 259 L CB -0.708 41.403 42.059 0.087 0.000 0.898 259 L HN 0.304 nan 8.230 nan 0.000 0.433 260 A N -1.320 121.500 122.820 0.001 0.000 1.902 260 A HA -0.206 4.114 4.320 0.000 0.000 0.217 260 A C 2.229 179.785 177.584 -0.046 0.000 1.181 260 A CA 2.342 54.351 52.037 -0.048 0.000 0.623 260 A CB -1.282 17.692 19.000 -0.044 0.000 0.818 260 A HN 0.550 nan 8.150 nan 0.000 0.443 261 T N 0.677 115.225 114.554 -0.009 0.000 2.708 261 T HA -0.119 4.231 4.350 0.000 0.000 0.266 261 T C 1.831 176.539 174.700 0.015 0.000 1.037 261 T CA 1.585 63.684 62.100 -0.002 0.000 1.146 261 T CB -0.451 68.424 68.868 0.012 0.000 0.865 261 T HN 0.374 nan 8.240 nan 0.000 0.435 262 L N 0.633 121.891 121.223 0.059 0.000 2.056 262 L HA -0.058 4.282 4.340 0.000 0.000 0.207 262 L C 2.754 179.688 176.870 0.107 0.000 1.078 262 L CA 0.700 55.615 54.840 0.125 0.000 0.749 262 L CB -0.839 41.355 42.059 0.225 0.000 0.901 262 L HN 0.114 nan 8.230 nan 0.000 0.433 263 V N 0.275 120.177 119.914 -0.020 0.000 2.252 263 V HA -0.276 3.844 4.120 0.000 0.000 0.249 263 V C 2.505 178.481 176.094 -0.196 0.000 1.056 263 V CA 2.166 64.315 62.300 -0.252 0.000 1.022 263 V CB -0.460 31.142 31.823 -0.369 0.000 0.641 263 V HN 0.472 nan 8.190 nan 0.000 0.445 264 V N -2.052 117.768 119.914 -0.157 0.000 2.809 264 V HA -0.123 3.997 4.120 0.000 0.000 0.256 264 V C 1.865 177.924 176.094 -0.058 0.000 1.080 264 V CA 2.043 64.265 62.300 -0.130 0.000 1.102 264 V CB -1.022 30.728 31.823 -0.121 0.000 0.705 264 V HN 0.556 nan 8.190 nan 0.000 0.475 265 N N 0.645 119.332 118.700 -0.021 0.000 2.135 265 N HA -0.156 4.585 4.740 0.000 0.000 0.186 265 N C 1.964 177.492 175.510 0.030 0.000 1.027 265 N CA 1.926 54.982 53.050 0.010 0.000 0.849 265 N CB -0.182 38.321 38.487 0.027 0.000 1.002 265 N HN 0.546 nan 8.380 nan 0.000 0.425 266 T N 0.899 115.492 114.554 0.065 0.000 2.915 266 T HA -0.005 4.345 4.350 0.000 0.000 0.269 266 T C 1.895 176.628 174.700 0.056 0.000 1.071 266 T CA 0.650 62.806 62.100 0.093 0.000 1.132 266 T CB 0.022 69.013 68.868 0.205 0.000 0.878 266 T HN 0.114 nan 8.240 nan 0.000 0.479 267 M N -0.167 119.442 119.600 0.014 0.000 2.175 267 M HA 0.015 4.495 4.480 0.000 0.000 0.264 267 M C 2.440 178.741 176.300 0.002 0.000 1.063 267 M CA 1.481 56.779 55.300 -0.003 0.000 1.119 267 M CB -0.002 32.566 32.600 -0.053 0.000 1.377 267 M HN 0.140 nan 8.290 nan 0.000 0.415 268 R N -0.983 119.515 120.500 -0.003 0.000 2.073 268 R HA -0.022 4.318 4.340 0.000 0.000 0.229 268 R C 1.409 177.715 176.300 0.010 0.000 1.120 268 R CA 1.299 57.400 56.100 0.001 0.000 0.967 268 R CB -0.010 30.288 30.300 -0.004 0.000 0.862 268 R HN 0.633 nan 8.270 nan 0.000 0.436 269 G N -1.082 107.729 108.800 0.018 0.000 2.318 269 G HA2 -0.179 3.781 3.960 0.000 0.000 0.172 269 G HA3 -0.179 3.781 3.960 0.000 0.000 0.172 269 G C 0.672 175.586 174.900 0.023 0.000 1.002 269 G CA -0.258 44.856 45.100 0.022 0.000 0.697 269 G HN 0.105 nan 8.290 nan 0.000 0.483 270 I N 0.781 121.363 120.570 0.021 0.000 2.193 270 I HA 0.173 4.344 4.170 0.000 0.000 0.240 270 I C 1.010 177.139 176.117 0.020 0.000 1.084 270 I CA 1.588 62.898 61.300 0.016 0.000 1.365 270 I CB 0.150 38.157 38.000 0.011 0.000 1.064 270 I HN 0.058 nan 8.210 nan 0.000 0.410 271 V N 0.869 120.799 119.914 0.027 0.000 2.525 271 V HA 0.285 4.405 4.120 0.000 0.000 0.299 271 V C -0.494 175.629 176.094 0.048 0.000 1.034 271 V CA -1.095 61.223 62.300 0.030 0.000 0.863 271 V CB 1.652 33.488 31.823 0.021 0.000 0.999 271 V HN 0.018 nan 8.190 nan 0.000 0.423 272 K N 3.495 123.924 120.400 0.048 0.000 2.338 272 K HA 0.575 4.895 4.320 0.000 0.000 0.290 272 K C -0.771 175.864 176.600 0.057 0.000 1.069 272 K CA 0.178 56.502 56.287 0.061 0.000 0.941 272 K CB 0.957 33.489 32.500 0.053 0.000 1.023 272 K HN 0.462 nan 8.250 nan 0.000 0.477 273 V N 1.878 121.837 119.914 0.075 0.000 2.808 273 V HA 0.791 4.911 4.120 0.000 0.000 0.308 273 V C -0.980 175.058 176.094 -0.094 0.000 1.099 273 V CA -0.946 61.370 62.300 0.027 0.000 0.920 273 V CB 2.005 33.866 31.823 0.064 0.000 1.014 273 V HN 0.778 nan 8.190 nan 0.000 0.425 274 A N 3.280 125.909 122.820 -0.318 0.000 2.498 274 A HA 1.051 5.372 4.320 0.000 0.000 0.298 274 A C -0.727 176.487 177.584 -0.616 0.000 1.075 274 A CA -0.212 51.288 52.037 -0.896 0.000 0.714 274 A CB 2.109 20.757 19.000 -0.586 0.000 1.299 274 A HN 1.725 nan 8.150 nan 0.000 0.407 275 A N 0.435 122.800 122.820 -0.758 0.000 2.422 275 A HA 0.807 5.127 4.320 0.000 0.000 0.302 275 A C -0.561 176.991 177.584 -0.054 0.000 1.041 275 A CA -0.042 51.858 52.037 -0.228 0.000 0.708 275 A CB 1.301 20.262 19.000 -0.065 0.000 1.257 275 A HN 2.320 nan 8.150 nan 0.000 0.414 276 V N -0.710 119.226 119.914 0.036 0.000 3.007 276 V HA 0.651 4.771 4.120 0.000 0.000 0.311 276 V C -0.430 175.744 176.094 0.132 0.000 1.120 276 V CA -1.223 61.144 62.300 0.111 0.000 0.980 276 V CB 1.620 33.529 31.823 0.144 0.000 1.033 276 V HN 0.855 nan 8.190 nan 0.000 0.429 277 K N 1.844 122.327 120.400 0.139 0.000 2.295 277 K HA 0.637 4.957 4.320 0.000 0.000 0.270 277 K C 0.385 177.051 176.600 0.110 0.000 1.011 277 K CA 0.292 56.646 56.287 0.111 0.000 0.953 277 K CB 1.293 33.851 32.500 0.097 0.000 0.956 277 K HN 1.111 nan 8.250 nan 0.000 0.477 278 A N 4.402 127.233 122.820 0.019 0.000 2.425 278 A HA 0.233 4.553 4.320 0.000 0.000 0.249 278 A C -2.115 175.404 177.584 -0.109 0.000 1.084 278 A CA -1.272 50.699 52.037 -0.111 0.000 0.781 278 A CB -0.288 18.653 19.000 -0.098 0.000 1.019 278 A HN 0.447 nan 8.150 nan 0.000 0.490 279 P HA 0.295 nan 4.420 nan 0.000 0.268 279 P C 0.879 178.162 177.300 -0.027 0.000 1.204 279 P CA 1.610 64.629 63.100 -0.134 0.000 0.768 279 P CB 0.436 31.953 31.700 -0.305 0.000 0.842 280 G N 3.025 111.874 108.800 0.081 0.000 2.569 280 G HA2 -0.095 3.865 3.960 0.000 0.000 0.259 280 G HA3 -0.095 3.865 3.960 0.000 0.000 0.259 280 G C -0.701 174.357 174.900 0.262 0.000 1.263 280 G CA 0.271 45.471 45.100 0.166 0.000 0.928 280 G HN 0.766 nan 8.290 nan 0.000 0.572 281 F N -2.634 117.318 119.950 0.003 0.000 2.713 281 F HA 0.728 5.255 4.527 0.000 0.000 0.311 281 F C 0.871 176.675 175.800 0.007 0.000 1.141 281 F CA 0.491 58.494 58.000 0.005 0.000 0.939 281 F CB 0.911 39.919 39.000 0.013 0.000 1.325 281 F HN 2.515 nan 8.300 nan 0.000 0.453 282 G N 1.656 110.460 108.800 0.007 0.000 2.527 282 G HA2 -0.289 3.671 3.960 0.000 0.000 0.268 282 G HA3 -0.289 3.671 3.960 0.000 0.000 0.268 282 G C 0.247 175.075 174.900 -0.121 0.000 1.175 282 G CA 0.614 45.662 45.100 -0.087 0.000 0.962 282 G HN 0.883 nan 8.290 nan 0.000 0.560 283 D N 1.076 121.387 120.400 -0.147 0.000 2.117 283 D HA -0.054 4.586 4.640 0.000 0.000 0.198 283 D C 2.603 178.836 176.300 -0.111 0.000 0.982 283 D CA 1.596 55.536 54.000 -0.101 0.000 0.828 283 D CB -0.236 40.516 40.800 -0.081 0.000 0.967 283 D HN 0.671 nan 8.370 nan 0.000 0.464 284 R N 0.742 121.146 120.500 -0.160 0.000 2.235 284 R HA 0.104 4.444 4.340 0.000 0.000 0.213 284 R C 2.169 178.395 176.300 -0.123 0.000 1.059 284 R CA 0.242 56.261 56.100 -0.135 0.000 0.997 284 R CB -0.203 30.008 30.300 -0.147 0.000 0.884 284 R HN 0.031 nan 8.270 nan 0.000 0.462 285 R N 2.301 122.723 120.500 -0.129 0.000 2.081 285 R HA -0.106 4.234 4.340 0.000 0.000 0.235 285 R C 1.488 177.739 176.300 -0.083 0.000 1.131 285 R CA 1.636 57.681 56.100 -0.092 0.000 0.960 285 R CB 0.001 30.270 30.300 -0.052 0.000 0.856 285 R HN 0.267 nan 8.270 nan 0.000 0.436 286 K N -0.034 120.325 120.400 -0.069 0.000 2.009 286 K HA -0.135 4.185 4.320 0.000 0.000 0.210 286 K C 2.145 178.709 176.600 -0.060 0.000 1.049 286 K CA 1.731 57.984 56.287 -0.056 0.000 0.929 286 K CB -0.247 32.227 32.500 -0.044 0.000 0.714 286 K HN 0.181 nan 8.250 nan 0.000 0.440 287 A N 1.250 124.032 122.820 -0.064 0.000 1.930 287 A HA -0.085 4.235 4.320 0.000 0.000 0.217 287 A C 2.093 179.636 177.584 -0.069 0.000 1.175 287 A CA 1.290 53.291 52.037 -0.059 0.000 0.627 287 A CB -0.405 18.562 19.000 -0.056 0.000 0.815 287 A HN 0.198 nan 8.150 nan 0.000 0.443 288 M N -0.831 118.717 119.600 -0.087 0.000 2.476 288 M HA 0.048 4.528 4.480 0.000 0.000 0.262 288 M C 1.814 178.030 176.300 -0.140 0.000 1.079 288 M CA 0.766 56.001 55.300 -0.110 0.000 1.104 288 M CB -0.224 32.300 32.600 -0.126 0.000 1.409 288 M HN 0.389 nan 8.290 nan 0.000 0.467 289 L N -0.486 120.664 121.223 -0.122 0.000 2.179 289 L HA -0.178 4.162 4.340 0.000 0.000 0.208 289 L C 2.488 179.312 176.870 -0.076 0.000 1.096 289 L CA 0.911 55.682 54.840 -0.115 0.000 0.779 289 L CB -0.226 41.779 42.059 -0.090 0.000 0.922 289 L HN 0.248 nan 8.230 nan 0.000 0.443 290 Q N 0.076 119.840 119.800 -0.060 0.000 2.172 290 Q HA -0.180 4.161 4.340 0.000 0.000 0.200 290 Q C 1.627 177.604 176.000 -0.038 0.000 0.964 290 Q CA 1.450 57.228 55.803 -0.041 0.000 0.855 290 Q CB -0.016 28.701 28.738 -0.035 0.000 0.918 290 Q HN 0.363 nan 8.270 nan 0.000 0.444 291 D N -0.170 120.203 120.400 -0.046 0.000 2.104 291 D HA -0.166 4.474 4.640 0.000 0.000 0.194 291 D C 1.809 178.093 176.300 -0.026 0.000 0.994 291 D CA 1.336 55.315 54.000 -0.035 0.000 0.830 291 D CB -0.191 40.585 40.800 -0.040 0.000 0.959 291 D HN 0.355 nan 8.370 nan 0.000 0.452 292 I N 1.143 121.689 120.570 -0.040 0.000 2.226 292 I HA -0.243 3.927 4.170 0.000 0.000 0.245 292 I C 2.510 178.622 176.117 -0.008 0.000 1.100 292 I CA 1.064 62.353 61.300 -0.018 0.000 1.374 292 I CB -0.250 37.723 38.000 -0.046 0.000 1.057 292 I HN -0.077 nan 8.210 nan 0.000 0.413 293 A N 0.416 123.226 122.820 -0.018 0.000 1.902 293 A HA -0.201 4.119 4.320 0.000 0.000 0.217 293 A C 2.390 179.971 177.584 -0.006 0.000 1.181 293 A CA 2.485 54.517 52.037 -0.008 0.000 0.623 293 A CB -1.102 17.891 19.000 -0.012 0.000 0.818 293 A HN 0.402 nan 8.150 nan 0.000 0.443 294 T N 0.330 114.878 114.554 -0.010 0.000 2.821 294 T HA -0.067 4.283 4.350 0.000 0.000 0.267 294 T C 1.842 176.539 174.700 -0.006 0.000 1.046 294 T CA 1.091 63.186 62.100 -0.008 0.000 1.139 294 T CB -0.274 68.588 68.868 -0.011 0.000 0.871 294 T HN 0.321 nan 8.240 nan 0.000 0.454 295 L N 2.005 123.226 121.223 -0.004 0.000 2.046 295 L HA -0.103 4.238 4.340 0.000 0.000 0.208 295 L C 2.429 179.297 176.870 -0.002 0.000 1.077 295 L CA 2.383 57.223 54.840 0.000 0.000 0.747 295 L CB -1.216 40.848 42.059 0.009 0.000 0.896 295 L HN 0.455 nan 8.230 nan 0.000 0.432 296 T N -4.086 110.468 114.554 -0.001 0.000 3.057 296 T HA 0.217 4.567 4.350 0.000 0.000 0.254 296 T C 1.324 176.016 174.700 -0.012 0.000 1.094 296 T CA 0.531 62.627 62.100 -0.007 0.000 1.088 296 T CB 0.105 68.973 68.868 0.001 0.000 0.934 296 T HN 0.559 nan 8.240 nan 0.000 0.497 297 G N 0.602 109.398 108.800 -0.006 0.000 2.149 297 G HA2 0.058 4.018 3.960 0.000 0.000 0.235 297 G HA3 0.058 4.018 3.960 0.000 0.000 0.235 297 G C 0.279 175.183 174.900 0.007 0.000 1.018 297 G CA -0.231 44.867 45.100 -0.003 0.000 0.728 297 G HN 1.011 nan 8.290 nan 0.000 0.508 298 G N -1.482 107.324 108.800 0.011 0.000 2.601 298 G HA2 0.795 4.755 3.960 0.000 0.000 0.317 298 G HA3 0.795 4.755 3.960 0.000 0.000 0.317 298 G C -0.373 174.536 174.900 0.015 0.000 1.246 298 G CA 0.194 45.307 45.100 0.022 0.000 1.012 298 G HN 0.678 nan 8.290 nan 0.000 0.494 299 T N -0.030 114.535 114.554 0.019 0.000 2.841 299 T HA 0.429 4.779 4.350 0.000 0.000 0.283 299 T C -0.187 174.518 174.700 0.007 0.000 1.000 299 T CA -0.343 61.764 62.100 0.011 0.000 0.977 299 T CB 1.846 70.721 68.868 0.012 0.000 0.979 299 T HN 0.319 nan 8.240 nan 0.000 0.446 300 V N 4.221 124.134 119.914 -0.001 0.000 2.439 300 V HA 0.220 4.340 4.120 0.000 0.000 0.271 300 V C -0.003 176.090 176.094 -0.002 0.000 1.040 300 V CA -0.302 61.995 62.300 -0.005 0.000 1.002 300 V CB -0.080 31.734 31.823 -0.014 0.000 1.000 300 V HN 0.733 nan 8.190 nan 0.000 0.477 301 I N 5.301 125.872 120.570 0.001 0.000 2.395 301 I HA 0.233 4.403 4.170 0.000 0.000 0.282 301 I C 0.770 176.887 176.117 0.001 0.000 1.107 301 I CA 0.302 61.603 61.300 0.002 0.000 1.210 301 I CB 0.557 38.560 38.000 0.005 0.000 1.456 301 I HN 0.642 nan 8.210 nan 0.000 0.504 302 S N 2.341 118.040 115.700 -0.002 0.000 2.632 302 S HA 0.282 4.753 4.470 0.000 0.000 0.271 302 S C 0.948 175.548 174.600 0.000 0.000 1.260 302 S CA -0.722 57.477 58.200 -0.002 0.000 1.010 302 S CB 1.011 64.208 63.200 -0.005 0.000 0.965 302 S HN 0.685 nan 8.310 nan 0.000 0.534 303 E N -0.113 120.088 120.200 0.002 0.000 2.511 303 E HA -0.069 4.281 4.350 0.000 0.000 0.196 303 E C 1.286 177.887 176.600 0.001 0.000 1.066 303 E CA 0.518 56.920 56.400 0.002 0.000 0.871 303 E CB -0.159 29.543 29.700 0.004 0.000 0.863 303 E HN 0.858 nan 8.360 nan 0.000 0.520 304 E N 1.383 121.583 120.200 -0.000 0.000 2.107 304 E HA -0.134 4.216 4.350 0.000 0.000 0.191 304 E C 1.791 178.390 176.600 -0.002 0.000 0.982 304 E CA 1.070 57.469 56.400 -0.001 0.000 0.809 304 E CB -0.009 29.689 29.700 -0.004 0.000 0.756 304 E HN 0.453 nan 8.360 nan 0.000 0.459 305 I N -0.860 119.709 120.570 -0.002 0.000 2.928 305 I HA 0.109 4.279 4.170 0.000 0.000 0.266 305 I C 1.666 177.783 176.117 -0.000 0.000 1.234 305 I CA 0.675 61.974 61.300 -0.002 0.000 1.483 305 I CB 0.048 38.047 38.000 -0.002 0.000 1.097 305 I HN 0.317 nan 8.210 nan 0.000 0.455 306 G N 1.007 109.807 108.800 0.000 0.000 2.175 306 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 306 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 306 G C 0.320 175.220 174.900 0.001 0.000 0.982 306 G CA -0.304 44.796 45.100 0.001 0.000 0.641 306 G HN 0.261 nan 8.290 nan 0.000 0.527 307 M N 1.025 120.626 119.600 0.001 0.000 2.185 307 M HA 0.419 4.899 4.480 0.000 0.000 0.357 307 M C 0.482 176.784 176.300 0.002 0.000 1.260 307 M CA 0.182 55.482 55.300 0.001 0.000 1.124 307 M CB 0.858 33.459 32.600 0.001 0.000 1.600 307 M HN 0.252 nan 8.290 nan 0.000 0.467 308 E N 1.797 121.998 120.200 0.002 0.000 2.250 308 E HA 0.266 4.616 4.350 0.000 0.000 0.265 308 E C 0.490 177.091 176.600 0.002 0.000 1.033 308 E CA -0.567 55.834 56.400 0.002 0.000 0.888 308 E CB 1.501 31.202 29.700 0.002 0.000 1.151 308 E HN 0.639 nan 8.360 nan 0.000 0.412 309 L N 1.122 122.346 121.223 0.003 0.000 2.275 309 L HA -0.164 4.176 4.340 0.000 0.000 0.215 309 L C 1.575 178.444 176.870 -0.001 0.000 1.119 309 L CA 1.073 55.914 54.840 0.002 0.000 0.790 309 L CB -0.248 41.814 42.059 0.004 0.000 0.919 309 L HN 0.502 nan 8.230 nan 0.000 0.443 310 E N 0.109 120.308 120.200 -0.002 0.000 2.216 310 E HA -0.102 4.248 4.350 0.000 0.000 0.192 310 E C 1.424 178.020 176.600 -0.006 0.000 0.988 310 E CA 0.670 57.067 56.400 -0.005 0.000 0.834 310 E CB -0.013 29.685 29.700 -0.004 0.000 0.772 310 E HN 0.304 nan 8.360 nan 0.000 0.479 311 K N 0.308 120.707 120.400 -0.003 0.000 2.476 311 K HA 0.335 4.655 4.320 0.000 0.000 0.196 311 K C -0.147 176.452 176.600 -0.002 0.000 1.025 311 K CA 0.094 56.380 56.287 -0.003 0.000 1.138 311 K CB 0.738 33.237 32.500 -0.001 0.000 0.860 311 K HN -0.009 nan 8.250 nan 0.000 0.515 312 A N 1.524 124.343 122.820 -0.003 0.000 2.353 312 A HA 0.382 4.702 4.320 0.000 0.000 0.299 312 A C 0.205 177.785 177.584 -0.007 0.000 1.089 312 A CA -0.681 51.356 52.037 -0.000 0.000 0.736 312 A CB 0.812 19.815 19.000 0.005 0.000 1.195 312 A HN 0.171 nan 8.150 nan 0.000 0.447 313 T N 0.054 114.604 114.554 -0.007 0.000 2.920 313 T HA 0.492 4.843 4.350 0.000 0.000 0.292 313 T C 1.426 176.118 174.700 -0.013 0.000 1.093 313 T CA -0.433 61.654 62.100 -0.022 0.000 0.944 313 T CB -0.152 68.702 68.868 -0.023 0.000 1.605 313 T HN 0.315 nan 8.240 nan 0.000 0.590 314 L N 1.252 122.455 121.223 -0.034 0.000 2.081 314 L HA -0.123 4.217 4.340 0.000 0.000 0.212 314 L C 3.022 179.965 176.870 0.122 0.000 1.080 314 L CA 1.844 56.677 54.840 -0.012 0.000 0.754 314 L CB -0.808 41.212 42.059 -0.066 0.000 0.893 314 L HN 0.793 nan 8.230 nan 0.000 0.433 315 E N -0.060 120.191 120.200 0.084 0.000 2.338 315 E HA -0.209 4.141 4.350 0.000 0.000 0.197 315 E C 0.861 177.503 176.600 0.070 0.000 1.007 315 E CA 1.348 57.798 56.400 0.085 0.000 0.849 315 E CB -0.399 29.333 29.700 0.054 0.000 0.774 315 E HN 0.545 nan 8.360 nan 0.000 0.506 316 D N 0.489 120.924 120.400 0.059 0.000 2.347 316 D HA 0.064 4.704 4.640 0.000 0.000 0.213 316 D C -0.184 176.155 176.300 0.065 0.000 0.985 316 D CA 0.284 54.312 54.000 0.047 0.000 0.879 316 D CB 0.087 40.905 40.800 0.030 0.000 0.919 316 D HN 0.064 nan 8.370 nan 0.000 0.526 317 L N 0.720 122.009 121.223 0.110 0.000 2.292 317 L HA 0.438 4.778 4.340 0.000 0.000 0.284 317 L C 1.188 178.141 176.870 0.138 0.000 1.065 317 L CA -0.458 54.473 54.840 0.152 0.000 0.806 317 L CB 1.246 43.459 42.059 0.257 0.000 1.175 317 L HN -0.104 nan 8.230 nan 0.000 0.431 318 G N 2.183 111.031 108.800 0.080 0.000 2.606 318 G HA2 0.450 4.410 3.960 0.000 0.000 0.252 318 G HA3 0.450 4.410 3.960 0.000 0.000 0.252 318 G C -0.677 174.200 174.900 -0.037 0.000 1.206 318 G CA -0.276 44.837 45.100 0.022 0.000 0.861 318 G HN 0.584 nan 8.290 nan 0.000 0.561 319 Q N -1.148 118.592 119.800 -0.100 0.000 2.359 319 Q HA 0.616 4.956 4.340 0.000 0.000 0.274 319 Q C -0.574 175.350 176.000 -0.128 0.000 1.074 319 Q CA -0.669 55.012 55.803 -0.203 0.000 0.810 319 Q CB 2.533 31.067 28.738 -0.340 0.000 1.342 319 Q HN 0.846 nan 8.270 nan 0.000 0.427 320 A N 1.102 123.847 122.820 -0.125 0.000 2.527 320 A HA 0.543 4.863 4.320 0.000 0.000 0.293 320 A C -0.350 177.186 177.584 -0.081 0.000 1.117 320 A CA -0.575 51.416 52.037 -0.077 0.000 0.723 320 A CB 1.540 20.515 19.000 -0.042 0.000 1.313 320 A HN 0.653 nan 8.150 nan 0.000 0.411 321 K N -0.409 119.957 120.400 -0.056 0.000 2.296 321 K HA 0.165 4.485 4.320 0.000 0.000 0.200 321 K C 0.716 177.294 176.600 -0.036 0.000 1.048 321 K CA 1.307 57.566 56.287 -0.048 0.000 0.966 321 K CB -0.011 32.468 32.500 -0.035 0.000 0.754 321 K HN 0.621 nan 8.250 nan 0.000 0.466 322 R N -1.770 118.712 120.500 -0.031 0.000 2.728 322 R HA 0.430 4.770 4.340 0.000 0.000 0.274 322 R C -2.190 174.098 176.300 -0.020 0.000 1.032 322 R CA -0.677 55.410 56.100 -0.022 0.000 0.866 322 R CB 1.741 32.030 30.300 -0.017 0.000 1.263 322 R HN -0.112 nan 8.270 nan 0.000 0.475 323 V N 2.609 122.512 119.914 -0.018 0.000 2.817 323 V HA 0.605 4.725 4.120 0.000 0.000 0.303 323 V C -1.759 174.322 176.094 -0.023 0.000 1.151 323 V CA -0.464 61.822 62.300 -0.024 0.000 0.929 323 V CB 2.266 34.077 31.823 -0.020 0.000 1.030 323 V HN 0.489 nan 8.190 nan 0.000 0.427 324 V N 7.708 127.601 119.914 -0.035 0.000 2.487 324 V HA 0.625 4.745 4.120 0.000 0.000 0.298 324 V C -0.471 175.602 176.094 -0.037 0.000 1.028 324 V CA -0.374 61.913 62.300 -0.022 0.000 0.860 324 V CB 1.764 33.579 31.823 -0.014 0.000 0.991 324 V HN 0.733 nan 8.190 nan 0.000 0.427 325 I N 6.168 126.745 120.570 0.011 0.000 2.468 325 I HA 0.420 4.590 4.170 0.000 0.000 0.284 325 I C 0.249 176.454 176.117 0.147 0.000 1.038 325 I CA -0.356 60.966 61.300 0.036 0.000 1.083 325 I CB 1.387 39.429 38.000 0.071 0.000 1.223 325 I HN 0.755 nan 8.210 nan 0.000 0.443 326 N N 5.279 124.021 118.700 0.070 0.000 2.681 326 N HA 0.356 5.096 4.740 0.000 0.000 0.311 326 N C 0.617 176.059 175.510 -0.114 0.000 1.303 326 N CA -0.784 52.339 53.050 0.121 0.000 0.926 326 N CB 0.934 39.454 38.487 0.056 0.000 1.136 326 N HN 0.279 nan 8.380 nan 0.000 0.592 327 K N 0.036 120.344 120.400 -0.155 0.000 2.097 327 K HA -0.210 4.110 4.320 0.000 0.000 0.214 327 K C -0.181 176.132 176.600 -0.478 0.000 1.052 327 K CA 2.445 58.457 56.287 -0.459 0.000 0.932 327 K CB -0.576 31.832 32.500 -0.154 0.000 0.716 327 K HN 0.746 nan 8.250 nan 0.000 0.455 328 D N -1.576 118.671 120.400 -0.255 0.000 2.940 328 D HA 0.141 4.781 4.640 0.000 0.000 0.366 328 D C -0.873 175.342 176.300 -0.142 0.000 1.446 328 D CA -0.327 53.565 54.000 -0.179 0.000 0.780 328 D CB 0.795 41.527 40.800 -0.113 0.000 1.206 328 D HN -0.235 nan 8.370 nan 0.000 0.454 329 T N -0.077 114.372 114.554 -0.174 0.000 3.172 329 T HA 0.501 4.852 4.350 0.000 0.000 0.320 329 T C -1.071 173.468 174.700 -0.268 0.000 1.085 329 T CA -0.451 61.529 62.100 -0.200 0.000 1.052 329 T CB 1.949 70.727 68.868 -0.150 0.000 1.107 329 T HN -0.073 nan 8.240 nan 0.000 0.458 330 T N 2.437 116.692 114.554 -0.499 0.000 2.786 330 T HA 0.595 4.945 4.350 0.000 0.000 0.283 330 T C -0.286 174.068 174.700 -0.576 0.000 0.992 330 T CA -0.535 61.215 62.100 -0.585 0.000 0.954 330 T CB 1.468 69.795 68.868 -0.902 0.000 0.934 330 T HN 0.564 nan 8.240 nan 0.000 0.440 331 T N 4.107 118.489 114.554 -0.286 0.000 2.809 331 T HA 0.642 4.992 4.350 0.000 0.000 0.284 331 T C -0.406 174.238 174.700 -0.094 0.000 0.992 331 T CA -0.681 61.314 62.100 -0.174 0.000 0.957 331 T CB 0.013 68.814 68.868 -0.112 0.000 0.942 331 T HN 0.465 nan 8.240 nan 0.000 0.439 332 I N 6.044 126.588 120.570 -0.043 0.000 2.353 332 I HA 0.477 4.647 4.170 0.000 0.000 0.293 332 I C -0.303 175.811 176.117 -0.005 0.000 0.992 332 I CA -0.778 60.520 61.300 -0.002 0.000 1.268 332 I CB 1.418 39.449 38.000 0.051 0.000 1.387 332 I HN 0.556 nan 8.210 nan 0.000 0.478 333 I N 5.321 125.884 120.570 -0.012 0.000 2.436 333 I HA 0.255 4.425 4.170 0.000 0.000 0.289 333 I C -0.226 175.881 176.117 -0.017 0.000 1.010 333 I CA -0.556 60.736 61.300 -0.014 0.000 1.098 333 I CB 1.543 39.533 38.000 -0.016 0.000 1.266 333 I HN 0.606 nan 8.210 nan 0.000 0.434 334 D N 5.020 125.411 120.400 -0.015 0.000 3.082 334 D HA -0.132 4.508 4.640 0.000 0.000 0.234 334 D C 0.197 176.481 176.300 -0.026 0.000 1.159 334 D CA 0.717 54.706 54.000 -0.019 0.000 0.875 334 D CB -0.133 40.653 40.800 -0.022 0.000 0.946 334 D HN 0.878 nan 8.370 nan 0.000 0.411 335 G N 1.123 109.911 108.800 -0.019 0.000 2.356 335 G HA2 0.352 4.312 3.960 0.000 0.000 0.273 335 G HA3 0.352 4.312 3.960 0.000 0.000 0.273 335 G C 1.051 175.933 174.900 -0.030 0.000 1.213 335 G CA -0.440 44.646 45.100 -0.024 0.000 0.955 335 G HN 0.322 nan 8.290 nan 0.000 0.454 336 V N 3.629 123.515 119.914 -0.046 0.000 2.743 336 V HA 0.270 4.390 4.120 0.000 0.000 0.356 336 V C 1.445 177.518 176.094 -0.035 0.000 1.594 336 V CA 0.177 62.450 62.300 -0.045 0.000 1.652 336 V CB -0.883 30.902 31.823 -0.065 0.000 1.389 336 V HN 0.714 nan 8.190 nan 0.000 0.514 337 G N -0.402 108.384 108.800 -0.024 0.000 2.461 337 G HA2 0.460 4.420 3.960 0.000 0.000 0.329 337 G HA3 0.460 4.420 3.960 0.000 0.000 0.329 337 G C -0.290 174.602 174.900 -0.013 0.000 1.170 337 G CA -0.535 44.555 45.100 -0.016 0.000 0.935 337 G HN 0.249 nan 8.290 nan 0.000 0.492 338 E N 0.575 120.769 120.200 -0.009 0.000 2.608 338 E HA -0.045 4.305 4.350 0.000 0.000 0.259 338 E C 0.851 177.447 176.600 -0.008 0.000 0.951 338 E CA 0.181 56.577 56.400 -0.008 0.000 0.945 338 E CB 0.689 30.386 29.700 -0.005 0.000 0.916 338 E HN 0.479 nan 8.360 nan 0.000 0.477 339 E N 1.786 121.981 120.200 -0.008 0.000 2.512 339 E HA -0.009 4.342 4.350 0.000 0.000 0.195 339 E C 0.665 177.261 176.600 -0.006 0.000 1.083 339 E CA 0.268 56.664 56.400 -0.007 0.000 0.873 339 E CB 0.407 30.103 29.700 -0.007 0.000 0.897 339 E HN 0.440 nan 8.360 nan 0.000 0.514 340 A N 0.011 122.828 122.820 -0.006 0.000 2.340 340 A HA 0.449 4.769 4.320 0.000 0.000 0.213 340 A C 2.010 179.590 177.584 -0.006 0.000 1.299 340 A CA 0.528 52.562 52.037 -0.005 0.000 0.994 340 A CB 0.317 19.314 19.000 -0.005 0.000 1.132 340 A HN 0.180 nan 8.150 nan 0.000 0.519 341 A N 0.367 123.184 122.820 -0.006 0.000 2.014 341 A HA 0.109 4.429 4.320 0.000 0.000 0.218 341 A C 1.880 179.460 177.584 -0.007 0.000 1.163 341 A CA 1.242 53.276 52.037 -0.006 0.000 0.652 341 A CB -0.522 18.474 19.000 -0.006 0.000 0.808 341 A HN 0.441 nan 8.150 nan 0.000 0.449 342 I N -0.447 120.119 120.570 -0.007 0.000 2.142 342 I HA -0.307 3.864 4.170 0.000 0.000 0.240 342 I C 2.579 178.691 176.117 -0.008 0.000 1.078 342 I CA 1.618 62.914 61.300 -0.007 0.000 1.343 342 I CB -0.326 37.670 38.000 -0.006 0.000 1.046 342 I HN 0.296 nan 8.210 nan 0.000 0.405 343 Q N 0.608 120.403 119.800 -0.007 0.000 2.291 343 Q HA -0.077 4.263 4.340 0.000 0.000 0.205 343 Q C 2.204 178.200 176.000 -0.008 0.000 0.970 343 Q CA 1.421 57.219 55.803 -0.007 0.000 0.876 343 Q CB -0.571 28.163 28.738 -0.006 0.000 0.935 343 Q HN 0.588 nan 8.270 nan 0.000 0.455 344 G N 0.387 109.183 108.800 -0.008 0.000 2.403 344 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 344 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 344 G C 1.560 176.455 174.900 -0.009 0.000 1.154 344 G CA 0.508 45.604 45.100 -0.008 0.000 0.784 344 G HN 0.168 nan 8.290 nan 0.000 0.538 345 R N 0.358 120.852 120.500 -0.010 0.000 2.075 345 R HA 0.025 4.366 4.340 0.000 0.000 0.232 345 R C 2.585 178.877 176.300 -0.014 0.000 1.126 345 R CA 1.366 57.459 56.100 -0.012 0.000 0.963 345 R CB -0.879 29.414 30.300 -0.013 0.000 0.858 345 R HN 0.194 nan 8.270 nan 0.000 0.435 346 V N 0.968 120.875 119.914 -0.012 0.000 2.343 346 V HA -0.223 3.897 4.120 0.000 0.000 0.247 346 V C 2.375 178.462 176.094 -0.012 0.000 1.051 346 V CA 1.956 64.248 62.300 -0.012 0.000 1.036 346 V CB -1.070 30.747 31.823 -0.011 0.000 0.654 346 V HN 0.528 nan 8.190 nan 0.000 0.451 347 A N -0.868 121.946 122.820 -0.011 0.000 1.940 347 A HA -0.315 4.005 4.320 0.000 0.000 0.219 347 A C 2.203 179.780 177.584 -0.011 0.000 1.176 347 A CA 2.116 54.147 52.037 -0.010 0.000 0.631 347 A CB -0.498 18.497 19.000 -0.009 0.000 0.814 347 A HN 0.640 nan 8.150 nan 0.000 0.446 348 Q N -0.728 119.065 119.800 -0.012 0.000 2.084 348 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 348 Q C 2.065 178.055 176.000 -0.016 0.000 0.978 348 Q CA 1.605 57.400 55.803 -0.013 0.000 0.844 348 Q CB -0.290 28.439 28.738 -0.014 0.000 0.898 348 Q HN 0.766 nan 8.270 nan 0.000 0.426 349 I N 0.201 120.760 120.570 -0.018 0.000 2.202 349 I HA -0.258 3.912 4.170 0.000 0.000 0.242 349 I C 2.337 178.443 176.117 -0.019 0.000 1.091 349 I CA 1.052 62.339 61.300 -0.021 0.000 1.368 349 I CB -0.218 37.768 38.000 -0.024 0.000 1.058 349 I HN 0.110 nan 8.210 nan 0.000 0.410 350 R N 0.183 120.673 120.500 -0.017 0.000 2.152 350 R HA -0.164 4.176 4.340 0.000 0.000 0.232 350 R C 2.246 178.539 176.300 -0.013 0.000 1.117 350 R CA 0.853 56.944 56.100 -0.015 0.000 0.981 350 R CB -0.271 30.021 30.300 -0.013 0.000 0.870 350 R HN 0.428 nan 8.270 nan 0.000 0.451 351 Q N 0.895 120.688 119.800 -0.012 0.000 2.123 351 Q HA -0.116 4.224 4.340 0.000 0.000 0.199 351 Q C 1.796 177.789 176.000 -0.011 0.000 0.966 351 Q CA 1.435 57.232 55.803 -0.010 0.000 0.845 351 Q CB 0.219 28.951 28.738 -0.010 0.000 0.907 351 Q HN 0.457 nan 8.270 nan 0.000 0.439 352 Q N -0.291 119.501 119.800 -0.013 0.000 2.172 352 Q HA -0.036 4.304 4.340 0.000 0.000 0.200 352 Q C 2.121 178.112 176.000 -0.014 0.000 0.964 352 Q CA 0.703 56.498 55.803 -0.014 0.000 0.855 352 Q CB 0.088 28.816 28.738 -0.017 0.000 0.918 352 Q HN 0.371 nan 8.270 nan 0.000 0.444 353 I N 0.712 121.272 120.570 -0.016 0.000 2.361 353 I HA -0.247 3.923 4.170 0.000 0.000 0.251 353 I C 2.290 178.401 176.117 -0.011 0.000 1.133 353 I CA 0.888 62.178 61.300 -0.016 0.000 1.413 353 I CB -0.115 37.874 38.000 -0.019 0.000 1.073 353 I HN 0.176 nan 8.210 nan 0.000 0.424 354 E N 0.992 121.186 120.200 -0.009 0.000 2.028 354 E HA -0.228 4.122 4.350 0.000 0.000 0.191 354 E C 2.059 178.656 176.600 -0.004 0.000 0.988 354 E CA 1.731 58.127 56.400 -0.006 0.000 0.799 354 E CB -0.117 29.579 29.700 -0.006 0.000 0.755 354 E HN 0.678 nan 8.360 nan 0.000 0.447 355 E N 0.844 121.041 120.200 -0.005 0.000 2.033 355 E HA 0.049 4.399 4.350 0.000 0.000 0.189 355 E C 0.794 177.394 176.600 -0.001 0.000 0.979 355 E CA 0.521 56.919 56.400 -0.003 0.000 0.802 355 E CB -0.238 29.459 29.700 -0.004 0.000 0.763 355 E HN 0.012 nan 8.360 nan 0.000 0.449 356 A N 2.146 124.965 122.820 -0.001 0.000 2.491 356 A HA 0.171 4.491 4.320 0.000 0.000 0.261 356 A C 0.237 177.825 177.584 0.006 0.000 1.101 356 A CA 0.296 52.335 52.037 0.003 0.000 0.772 356 A CB -0.221 18.780 19.000 0.003 0.000 1.043 356 A HN 0.340 nan 8.150 nan 0.000 0.501 357 T N 0.549 115.109 114.554 0.010 0.000 3.154 357 T HA 0.610 4.960 4.350 0.000 0.000 0.381 357 T C -0.343 174.369 174.700 0.021 0.000 1.368 357 T CA 0.054 62.162 62.100 0.012 0.000 1.155 357 T CB -0.323 68.550 68.868 0.009 0.000 1.120 357 T HN 1.601 nan 8.240 nan 0.000 0.570 358 S N 1.048 116.765 115.700 0.029 0.000 2.558 358 S HA 0.333 4.804 4.470 0.000 0.000 0.277 358 S C -0.248 174.385 174.600 0.055 0.000 1.143 358 S CA -0.774 57.452 58.200 0.045 0.000 0.865 358 S CB 1.401 64.636 63.200 0.058 0.000 1.102 358 S HN 0.182 nan 8.310 nan 0.000 0.454 359 D N 0.732 121.170 120.400 0.062 0.000 2.149 359 D HA -0.073 4.567 4.640 0.000 0.000 0.198 359 D C 1.308 177.650 176.300 0.070 0.000 0.990 359 D CA 1.754 55.788 54.000 0.056 0.000 0.839 359 D CB -0.285 40.549 40.800 0.057 0.000 0.948 359 D HN 0.676 nan 8.370 nan 0.000 0.460 360 Y N 1.555 121.854 120.300 -0.001 0.000 2.220 360 Y HA -0.149 4.401 4.550 0.000 0.000 0.291 360 Y C 1.696 177.591 175.900 -0.008 0.000 1.129 360 Y CA 1.412 59.511 58.100 -0.001 0.000 1.161 360 Y CB 0.079 38.540 38.460 0.002 0.000 0.997 360 Y HN -0.147 nan 8.280 nan 0.000 0.522 361 D N -0.243 120.227 120.400 0.117 0.000 2.218 361 D HA -0.141 4.499 4.640 0.000 0.000 0.204 361 D C 2.085 178.356 176.300 -0.048 0.000 0.976 361 D CA 0.956 54.976 54.000 0.034 0.000 0.853 361 D CB -0.217 40.620 40.800 0.062 0.000 0.939 361 D HN 0.378 nan 8.370 nan 0.000 0.481 362 R N 0.831 121.304 120.500 -0.046 0.000 2.051 362 R HA -0.082 4.258 4.340 0.000 0.000 0.225 362 R C 2.256 178.504 176.300 -0.086 0.000 1.155 362 R CA 1.232 57.301 56.100 -0.051 0.000 0.945 362 R CB 0.030 30.314 30.300 -0.026 0.000 0.840 362 R HN 0.201 nan 8.270 nan 0.000 0.432 363 E N 0.214 120.346 120.200 -0.113 0.000 2.204 363 E HA -0.199 4.152 4.350 0.000 0.000 0.195 363 E C 1.517 178.017 176.600 -0.168 0.000 0.990 363 E CA 0.892 57.218 56.400 -0.124 0.000 0.821 363 E CB -0.004 29.626 29.700 -0.117 0.000 0.750 363 E HN 0.093 nan 8.360 nan 0.000 0.477 364 K N 0.679 120.925 120.400 -0.256 0.000 2.217 364 K HA 0.050 4.370 4.320 0.000 0.000 0.202 364 K C 2.098 178.613 176.600 -0.142 0.000 1.051 364 K CA 0.519 56.657 56.287 -0.250 0.000 0.952 364 K CB -0.030 32.238 32.500 -0.387 0.000 0.736 364 K HN 0.292 nan 8.250 nan 0.000 0.453 365 L N 0.830 121.986 121.223 -0.112 0.000 2.270 365 L HA -0.087 4.253 4.340 0.000 0.000 0.210 365 L C 2.292 179.127 176.870 -0.059 0.000 1.104 365 L CA 0.574 55.370 54.840 -0.073 0.000 0.804 365 L CB -0.111 41.914 42.059 -0.056 0.000 0.937 365 L HN 0.067 nan 8.230 nan 0.000 0.450 366 Q N 0.085 119.846 119.800 -0.064 0.000 2.230 366 Q HA -0.182 4.158 4.340 0.000 0.000 0.202 366 Q C 1.835 177.809 176.000 -0.043 0.000 0.963 366 Q CA 1.150 56.924 55.803 -0.048 0.000 0.866 366 Q CB 0.015 28.724 28.738 -0.048 0.000 0.931 366 Q HN 0.577 nan 8.270 nan 0.000 0.452 367 E N 0.215 120.383 120.200 -0.053 0.000 2.208 367 E HA -0.095 4.255 4.350 0.000 0.000 0.193 367 E C 2.013 178.597 176.600 -0.027 0.000 0.988 367 E CA 0.374 56.751 56.400 -0.039 0.000 0.828 367 E CB 0.123 29.795 29.700 -0.046 0.000 0.763 367 E HN 0.209 nan 8.360 nan 0.000 0.478 368 R N 0.152 120.632 120.500 -0.034 0.000 2.075 368 R HA -0.081 4.259 4.340 0.000 0.000 0.226 368 R C 2.525 178.814 176.300 -0.019 0.000 1.114 368 R CA 1.320 57.404 56.100 -0.027 0.000 0.972 368 R CB -0.150 30.128 30.300 -0.037 0.000 0.869 368 R HN 0.148 nan 8.270 nan 0.000 0.437 369 V N -1.910 117.991 119.914 -0.022 0.000 2.667 369 V HA 0.014 4.134 4.120 0.000 0.000 0.252 369 V C 2.186 178.273 176.094 -0.012 0.000 1.065 369 V CA 1.484 63.774 62.300 -0.016 0.000 1.083 369 V CB -0.724 31.088 31.823 -0.018 0.000 0.692 369 V HN 0.218 nan 8.190 nan 0.000 0.468 370 A N 1.059 123.871 122.820 -0.013 0.000 1.877 370 A HA -0.162 4.158 4.320 0.000 0.000 0.216 370 A C 2.343 179.926 177.584 -0.002 0.000 1.186 370 A CA 2.192 54.223 52.037 -0.009 0.000 0.620 370 A CB -0.501 18.492 19.000 -0.011 0.000 0.822 370 A HN 0.579 nan 8.150 nan 0.000 0.443 371 K N -1.050 119.351 120.400 0.003 0.000 2.025 371 K HA -0.002 4.319 4.320 0.000 0.000 0.207 371 K C 1.895 178.502 176.600 0.012 0.000 1.049 371 K CA 1.237 57.532 56.287 0.014 0.000 0.933 371 K CB -0.291 32.227 32.500 0.029 0.000 0.714 371 K HN 0.325 nan 8.250 nan 0.000 0.438 372 L N 0.313 121.539 121.223 0.005 0.000 2.109 372 L HA -0.047 4.293 4.340 0.000 0.000 0.207 372 L C 1.953 178.823 176.870 -0.001 0.000 1.086 372 L CA 1.523 56.365 54.840 0.002 0.000 0.760 372 L CB -0.204 41.852 42.059 -0.004 0.000 0.910 372 L HN 0.130 nan 8.230 nan 0.000 0.437 373 A N -1.824 120.994 122.820 -0.003 0.000 2.220 373 A HA 0.301 4.621 4.320 0.000 0.000 0.211 373 A C 2.120 179.702 177.584 -0.004 0.000 1.176 373 A CA 0.570 52.604 52.037 -0.004 0.000 0.834 373 A CB -0.652 18.344 19.000 -0.006 0.000 0.868 373 A HN 0.413 nan 8.150 nan 0.000 0.488 374 G N -0.529 108.269 108.800 -0.002 0.000 2.453 374 G HA2 0.380 4.340 3.960 0.000 0.000 0.215 374 G HA3 0.380 4.340 3.960 0.000 0.000 0.215 374 G C 1.153 176.052 174.900 -0.002 0.000 1.147 374 G CA 0.689 45.787 45.100 -0.003 0.000 0.802 374 G HN 1.563 nan 8.290 nan 0.000 0.535 375 G N -1.402 107.398 108.800 0.000 0.000 2.598 375 G HA2 -0.050 3.910 3.960 0.000 0.000 0.244 375 G HA3 -0.050 3.910 3.960 0.000 0.000 0.244 375 G C -0.607 174.293 174.900 -0.001 0.000 1.302 375 G CA -0.110 44.989 45.100 -0.000 0.000 0.903 375 G HN 1.047 nan 8.290 nan 0.000 0.575 376 V N 0.478 120.390 119.914 -0.003 0.000 2.623 376 V HA 0.702 4.823 4.120 0.000 0.000 0.304 376 V C 0.680 176.770 176.094 -0.007 0.000 1.054 376 V CA -0.022 62.274 62.300 -0.006 0.000 0.882 376 V CB 1.363 33.181 31.823 -0.008 0.000 1.002 376 V HN 2.096 nan 8.190 nan 0.000 0.424 377 A N 4.813 127.630 122.820 -0.007 0.000 2.366 377 A HA 0.719 5.039 4.320 0.000 0.000 0.272 377 A C -0.438 177.143 177.584 -0.005 0.000 1.135 377 A CA -0.217 51.817 52.037 -0.005 0.000 0.804 377 A CB 0.601 19.598 19.000 -0.004 0.000 1.064 377 A HN 0.771 nan 8.150 nan 0.000 0.499 378 V N 4.372 124.284 119.914 -0.004 0.000 2.448 378 V HA 0.364 4.484 4.120 0.000 0.000 0.295 378 V C -0.249 175.843 176.094 -0.002 0.000 1.025 378 V CA -0.175 62.123 62.300 -0.004 0.000 0.859 378 V CB 1.318 33.138 31.823 -0.006 0.000 0.988 378 V HN 0.730 nan 8.190 nan 0.000 0.431 379 I N 4.915 125.485 120.570 -0.000 0.000 2.330 379 I HA 0.405 4.575 4.170 0.000 0.000 0.289 379 I C 0.184 176.300 176.117 -0.001 0.000 1.001 379 I CA -0.443 60.857 61.300 0.000 0.000 1.193 379 I CB 1.270 39.272 38.000 0.003 0.000 1.345 379 I HN 0.463 nan 8.210 nan 0.000 0.461 380 K N 6.298 126.697 120.400 -0.002 0.000 2.300 380 K HA 0.360 4.680 4.320 0.000 0.000 0.264 380 K C -0.721 175.877 176.600 -0.003 0.000 1.083 380 K CA -0.588 55.697 56.287 -0.003 0.000 0.958 380 K CB 1.453 33.951 32.500 -0.004 0.000 1.318 380 K HN 0.349 nan 8.250 nan 0.000 0.448 381 V N 2.693 122.605 119.914 -0.003 0.000 2.485 381 V HA 0.071 4.192 4.120 0.000 0.000 0.287 381 V C 1.008 177.099 176.094 -0.005 0.000 1.022 381 V CA -0.221 62.076 62.300 -0.004 0.000 1.067 381 V CB 0.568 32.387 31.823 -0.005 0.000 0.967 381 V HN 0.824 nan 8.190 nan 0.000 0.479 382 G N 3.100 111.897 108.800 -0.005 0.000 2.434 382 G HA2 0.840 4.800 3.960 0.000 0.000 0.330 382 G HA3 0.840 4.800 3.960 0.000 0.000 0.330 382 G C -0.521 174.375 174.900 -0.005 0.000 1.155 382 G CA 0.035 45.132 45.100 -0.005 0.000 0.917 382 G HN 1.248 nan 8.290 nan 0.000 0.493 383 A N -0.719 122.097 122.820 -0.005 0.000 2.540 383 A HA 0.773 5.093 4.320 0.000 0.000 0.291 383 A C 0.868 178.449 177.584 -0.005 0.000 1.083 383 A CA 0.423 52.457 52.037 -0.006 0.000 0.650 383 A CB 0.407 19.403 19.000 -0.007 0.000 1.292 383 A HN 1.852 nan 8.150 nan 0.000 0.435 384 A N -0.231 122.586 122.820 -0.005 0.000 1.877 384 A HA 0.352 4.672 4.320 0.000 0.000 0.216 384 A C 1.328 178.909 177.584 -0.005 0.000 1.186 384 A CA 2.564 54.598 52.037 -0.005 0.000 0.620 384 A CB -0.796 18.201 19.000 -0.005 0.000 0.822 384 A HN 2.100 nan 8.150 nan 0.000 0.443 385 T N -4.572 109.979 114.554 -0.005 0.000 2.930 385 T HA 0.486 4.836 4.350 0.000 0.000 0.290 385 T C 0.530 175.226 174.700 -0.006 0.000 1.052 385 T CA -0.051 62.046 62.100 -0.005 0.000 1.017 385 T CB 1.958 70.823 68.868 -0.005 0.000 1.137 385 T HN 0.259 nan 8.240 nan 0.000 0.511 386 E N 0.047 120.244 120.200 -0.006 0.000 2.077 386 E HA -0.172 4.178 4.350 0.000 0.000 0.193 386 E C 2.157 178.752 176.600 -0.008 0.000 0.989 386 E CA 1.851 58.247 56.400 -0.007 0.000 0.800 386 E CB -0.269 29.427 29.700 -0.006 0.000 0.746 386 E HN 0.622 nan 8.360 nan 0.000 0.452 387 V N -0.465 119.444 119.914 -0.008 0.000 2.287 387 V HA -0.264 3.856 4.120 0.000 0.000 0.248 387 V C 2.066 178.154 176.094 -0.010 0.000 1.053 387 V CA 2.194 64.489 62.300 -0.009 0.000 1.027 387 V CB -0.972 30.845 31.823 -0.008 0.000 0.646 387 V HN 0.164 nan 8.190 nan 0.000 0.447 388 E N -0.211 119.984 120.200 -0.009 0.000 2.077 388 E HA -0.212 4.138 4.350 0.000 0.000 0.193 388 E C 2.205 178.799 176.600 -0.010 0.000 0.989 388 E CA 1.773 58.167 56.400 -0.009 0.000 0.800 388 E CB -0.278 29.418 29.700 -0.008 0.000 0.746 388 E HN 0.576 nan 8.360 nan 0.000 0.452 389 M N 1.168 120.762 119.600 -0.009 0.000 2.059 389 M HA -0.181 4.299 4.480 0.000 0.000 0.259 389 M C 1.793 178.087 176.300 -0.011 0.000 1.072 389 M CA 1.680 56.975 55.300 -0.009 0.000 1.117 389 M CB -0.245 32.351 32.600 -0.008 0.000 1.320 389 M HN -0.123 nan 8.290 nan 0.000 0.408 390 K N 0.146 120.539 120.400 -0.011 0.000 2.209 390 K HA -0.165 4.155 4.320 0.000 0.000 0.204 390 K C 1.947 178.537 176.600 -0.016 0.000 1.048 390 K CA 1.072 57.352 56.287 -0.013 0.000 0.940 390 K CB -0.380 32.112 32.500 -0.013 0.000 0.729 390 K HN 0.494 nan 8.250 nan 0.000 0.451 391 E N 1.445 121.636 120.200 -0.016 0.000 2.076 391 E HA -0.139 4.211 4.350 0.000 0.000 0.190 391 E C 1.865 178.453 176.600 -0.019 0.000 0.979 391 E CA 1.018 57.408 56.400 -0.018 0.000 0.807 391 E CB 0.174 29.865 29.700 -0.016 0.000 0.761 391 E HN 0.142 nan 8.360 nan 0.000 0.454 392 K N 0.964 121.355 120.400 -0.016 0.000 2.097 392 K HA -0.136 4.184 4.320 0.000 0.000 0.205 392 K C 2.333 178.924 176.600 -0.016 0.000 1.050 392 K CA 1.109 57.387 56.287 -0.015 0.000 0.938 392 K CB -0.060 32.433 32.500 -0.012 0.000 0.718 392 K HN -0.065 nan 8.250 nan 0.000 0.442 393 K N 0.450 120.841 120.400 -0.015 0.000 2.044 393 K HA -0.201 4.119 4.320 0.000 0.000 0.210 393 K C 1.920 178.506 176.600 -0.022 0.000 1.049 393 K CA 1.629 57.907 56.287 -0.015 0.000 0.927 393 K CB -0.230 32.263 32.500 -0.013 0.000 0.713 393 K HN 0.188 nan 8.250 nan 0.000 0.443 394 A N 1.308 124.111 122.820 -0.029 0.000 1.933 394 A HA -0.141 4.179 4.320 0.000 0.000 0.218 394 A C 2.092 179.646 177.584 -0.051 0.000 1.175 394 A CA 1.366 53.377 52.037 -0.044 0.000 0.628 394 A CB -0.413 18.561 19.000 -0.042 0.000 0.814 394 A HN 0.358 nan 8.150 nan 0.000 0.444 395 R N -0.810 119.668 120.500 -0.037 0.000 2.115 395 R HA -0.030 4.310 4.340 0.000 0.000 0.226 395 R C 1.971 178.254 176.300 -0.028 0.000 1.100 395 R CA 1.241 57.320 56.100 -0.034 0.000 0.980 395 R CB -0.347 29.938 30.300 -0.025 0.000 0.875 395 R HN 0.417 nan 8.270 nan 0.000 0.445 396 V N 1.127 121.028 119.914 -0.021 0.000 2.358 396 V HA -0.204 3.916 4.120 0.000 0.000 0.246 396 V C 1.934 178.025 176.094 -0.004 0.000 1.047 396 V CA 1.716 64.011 62.300 -0.008 0.000 1.035 396 V CB -0.361 31.460 31.823 -0.003 0.000 0.658 396 V HN 0.326 nan 8.190 nan 0.000 0.452 397 E N 0.111 120.298 120.200 -0.021 0.000 2.085 397 E HA -0.271 4.079 4.350 0.000 0.000 0.194 397 E C 1.918 178.451 176.600 -0.112 0.000 0.994 397 E CA 1.787 58.168 56.400 -0.032 0.000 0.801 397 E CB -0.190 29.470 29.700 -0.066 0.000 0.743 397 E HN 0.637 nan 8.360 nan 0.000 0.453 398 D N -0.061 120.256 120.400 -0.139 0.000 2.149 398 D HA -0.068 4.572 4.640 0.000 0.000 0.201 398 D C 1.715 177.986 176.300 -0.049 0.000 0.972 398 D CA 1.169 55.074 54.000 -0.159 0.000 0.835 398 D CB 0.023 40.753 40.800 -0.116 0.000 0.966 398 D HN 0.173 nan 8.370 nan 0.000 0.476 399 A N -0.083 122.727 122.820 -0.016 0.000 2.066 399 A HA -0.007 4.314 4.320 0.000 0.000 0.218 399 A C 1.929 179.540 177.584 0.045 0.000 1.157 399 A CA 0.483 52.528 52.037 0.012 0.000 0.670 399 A CB -0.414 18.588 19.000 0.004 0.000 0.804 399 A HN 0.245 nan 8.150 nan 0.000 0.453 400 L N -0.662 120.606 121.223 0.074 0.000 1.988 400 L HA -0.139 4.201 4.340 0.000 0.000 0.207 400 L C 2.391 179.353 176.870 0.154 0.000 1.071 400 L CA 2.145 57.051 54.840 0.111 0.000 0.744 400 L CB -0.720 41.423 42.059 0.141 0.000 0.893 400 L HN 0.547 nan 8.230 nan 0.000 0.433 401 H N -0.773 118.294 119.070 -0.005 0.000 2.319 401 H HA -0.186 4.370 4.556 0.000 0.000 0.297 401 H C 2.058 177.386 175.328 -0.000 0.000 1.097 401 H CA 1.059 57.105 56.048 -0.003 0.000 1.285 401 H CB -0.103 29.657 29.762 -0.003 0.000 1.368 401 H HN 0.572 nan 8.280 nan 0.000 0.495 402 A N 0.525 123.428 122.820 0.139 0.000 1.933 402 A HA -0.140 4.180 4.320 0.000 0.000 0.218 402 A C 2.461 180.074 177.584 0.047 0.000 1.175 402 A CA 1.927 54.007 52.037 0.071 0.000 0.628 402 A CB -0.600 18.426 19.000 0.043 0.000 0.814 402 A HN 0.354 nan 8.150 nan 0.000 0.444 403 T N -0.849 113.732 114.554 0.045 0.000 2.894 403 T HA -0.044 4.306 4.350 0.000 0.000 0.258 403 T C 2.043 176.755 174.700 0.020 0.000 1.043 403 T CA 1.265 63.382 62.100 0.028 0.000 1.141 403 T CB -0.182 68.700 68.868 0.024 0.000 0.873 403 T HN 0.521 nan 8.240 nan 0.000 0.449 404 R N 2.406 122.917 120.500 0.019 0.000 2.103 404 R HA -0.033 4.307 4.340 0.000 0.000 0.242 404 R C 2.272 178.573 176.300 0.001 0.000 1.142 404 R CA 2.057 58.157 56.100 -0.001 0.000 0.960 404 R CB -1.019 29.264 30.300 -0.029 0.000 0.858 404 R HN 0.337 nan 8.270 nan 0.000 0.439 405 A N 0.138 122.965 122.820 0.011 0.000 1.898 405 A HA 0.083 4.403 4.320 0.000 0.000 0.216 405 A C 2.415 180.009 177.584 0.016 0.000 1.181 405 A CA 1.559 53.605 52.037 0.015 0.000 0.620 405 A CB -1.063 17.953 19.000 0.027 0.000 0.819 405 A HN 0.517 nan 8.150 nan 0.000 0.442 406 A N -0.509 122.322 122.820 0.018 0.000 1.978 406 A HA -0.014 4.306 4.320 0.000 0.000 0.220 406 A C 2.185 179.776 177.584 0.011 0.000 1.170 406 A CA 1.805 53.851 52.037 0.015 0.000 0.636 406 A CB -0.811 18.198 19.000 0.016 0.000 0.810 406 A HN 0.376 nan 8.150 nan 0.000 0.448 407 V N -0.118 119.801 119.914 0.009 0.000 2.427 407 V HA -0.241 3.880 4.120 0.000 0.000 0.248 407 V C 2.388 178.486 176.094 0.005 0.000 1.051 407 V CA 2.198 64.502 62.300 0.006 0.000 1.048 407 V CB -0.731 31.093 31.823 0.003 0.000 0.666 407 V HN 0.641 nan 8.190 nan 0.000 0.456 408 E N -0.155 120.049 120.200 0.005 0.000 2.028 408 E HA -0.177 4.173 4.350 0.000 0.000 0.191 408 E C 1.841 178.445 176.600 0.007 0.000 0.988 408 E CA 1.471 57.874 56.400 0.005 0.000 0.799 408 E CB 0.005 29.708 29.700 0.005 0.000 0.755 408 E HN 0.650 nan 8.360 nan 0.000 0.447 409 E N -0.951 119.255 120.200 0.010 0.000 2.606 409 E HA 0.212 4.562 4.350 0.000 0.000 0.224 409 E C 0.355 176.962 176.600 0.012 0.000 0.930 409 E CA 0.186 56.592 56.400 0.010 0.000 1.125 409 E CB 1.714 31.421 29.700 0.012 0.000 1.123 409 E HN 0.224 nan 8.360 nan 0.000 0.522 410 G N 1.372 110.179 108.800 0.012 0.000 2.627 410 G HA2 -0.201 3.759 3.960 0.000 0.000 0.214 410 G HA3 -0.201 3.759 3.960 0.000 0.000 0.214 410 G C -0.427 174.482 174.900 0.014 0.000 1.331 410 G CA -0.482 44.626 45.100 0.012 0.000 0.891 410 G HN 0.434 nan 8.290 nan 0.000 0.539 411 V N -2.435 117.488 119.914 0.014 0.000 2.769 411 V HA 0.954 5.074 4.120 0.000 0.000 0.312 411 V C 0.583 176.687 176.094 0.017 0.000 1.061 411 V CA -0.065 62.244 62.300 0.015 0.000 0.931 411 V CB 1.231 33.062 31.823 0.013 0.000 1.010 411 V HN 2.322 nan 8.190 nan 0.000 0.433 412 V N 0.393 120.318 119.914 0.018 0.000 3.001 412 V HA 1.001 5.121 4.120 0.000 0.000 0.314 412 V C 0.592 176.698 176.094 0.020 0.000 1.099 412 V CA -0.654 61.658 62.300 0.021 0.000 0.989 412 V CB 1.258 33.095 31.823 0.023 0.000 1.040 412 V HN 1.945 nan 8.190 nan 0.000 0.434 413 A N 1.542 124.376 122.820 0.023 0.000 2.565 413 A HA 0.566 4.886 4.320 0.000 0.000 0.237 413 A C 0.949 178.542 177.584 0.016 0.000 1.053 413 A CA 0.805 52.852 52.037 0.018 0.000 0.755 413 A CB -0.546 18.470 19.000 0.027 0.000 0.980 413 A HN 1.924 nan 8.150 nan 0.000 0.506 414 G N 0.510 109.313 108.800 0.005 0.000 2.630 414 G HA2 0.516 4.476 3.960 0.000 0.000 0.223 414 G HA3 0.516 4.476 3.960 0.000 0.000 0.223 414 G C 1.220 176.125 174.900 0.008 0.000 1.434 414 G CA -0.040 45.063 45.100 0.006 0.000 1.057 414 G HN 2.241 nan 8.290 nan 0.000 0.570 415 G N -1.826 106.978 108.800 0.006 0.000 2.200 415 G HA2 0.185 4.145 3.960 0.000 0.000 0.267 415 G HA3 0.185 4.145 3.960 0.000 0.000 0.267 415 G C 1.521 176.444 174.900 0.037 0.000 0.993 415 G CA 1.444 46.554 45.100 0.017 0.000 0.701 415 G HN 2.468 nan 8.290 nan 0.000 0.524 416 G N -2.478 106.341 108.800 0.033 0.000 2.143 416 G HA2 -0.082 3.878 3.960 0.000 0.000 0.249 416 G HA3 -0.082 3.878 3.960 0.000 0.000 0.249 416 G C 1.665 176.592 174.900 0.045 0.000 0.981 416 G CA 1.729 46.851 45.100 0.037 0.000 0.665 416 G HN 2.160 nan 8.290 nan 0.000 0.528 417 V N -2.438 117.505 119.914 0.049 0.000 2.719 417 V HA 0.438 4.558 4.120 0.000 0.000 0.252 417 V C 2.797 178.923 176.094 0.054 0.000 1.065 417 V CA 1.773 64.109 62.300 0.059 0.000 1.086 417 V CB -0.758 31.105 31.823 0.067 0.000 0.700 417 V HN 1.337 nan 8.190 nan 0.000 0.467 418 A N 0.990 123.836 122.820 0.043 0.000 1.883 418 A HA -0.088 4.232 4.320 0.000 0.000 0.217 418 A C 2.268 179.874 177.584 0.036 0.000 1.186 418 A CA 2.305 54.365 52.037 0.039 0.000 0.624 418 A CB -0.735 18.284 19.000 0.032 0.000 0.822 418 A HN 0.565 nan 8.150 nan 0.000 0.444 419 L N -1.061 120.182 121.223 0.034 0.000 2.046 419 L HA -0.141 4.199 4.340 0.000 0.000 0.208 419 L C 2.538 179.427 176.870 0.031 0.000 1.077 419 L CA 1.470 56.328 54.840 0.030 0.000 0.747 419 L CB -0.311 41.766 42.059 0.029 0.000 0.896 419 L HN 0.476 nan 8.230 nan 0.000 0.432 420 I N -0.572 120.020 120.570 0.037 0.000 2.439 420 I HA -0.270 3.900 4.170 0.000 0.000 0.251 420 I C 2.723 178.865 176.117 0.041 0.000 1.139 420 I CA 0.779 62.102 61.300 0.038 0.000 1.438 420 I CB 0.060 38.086 38.000 0.043 0.000 1.085 420 I HN 0.179 nan 8.210 nan 0.000 0.427 421 R N 0.203 120.732 120.500 0.048 0.000 2.073 421 R HA -0.084 4.256 4.340 0.000 0.000 0.229 421 R C 2.000 178.322 176.300 0.037 0.000 1.120 421 R CA 1.653 57.783 56.100 0.051 0.000 0.967 421 R CB -0.768 29.569 30.300 0.063 0.000 0.862 421 R HN 0.197 nan 8.270 nan 0.000 0.436 422 V N 0.824 120.757 119.914 0.032 0.000 2.407 422 V HA -0.179 3.941 4.120 0.000 0.000 0.248 422 V C 2.234 178.340 176.094 0.020 0.000 1.055 422 V CA 1.866 64.180 62.300 0.024 0.000 1.049 422 V CB -0.627 31.209 31.823 0.022 0.000 0.662 422 V HN 0.553 nan 8.190 nan 0.000 0.455 423 A N 0.459 123.291 122.820 0.021 0.000 1.898 423 A HA -0.176 4.144 4.320 0.000 0.000 0.216 423 A C 2.506 180.099 177.584 0.016 0.000 1.181 423 A CA 1.989 54.037 52.037 0.018 0.000 0.620 423 A CB -0.690 18.321 19.000 0.018 0.000 0.819 423 A HN 0.684 nan 8.150 nan 0.000 0.442 424 S N -0.562 115.150 115.700 0.020 0.000 2.447 424 S HA -0.093 4.378 4.470 0.000 0.000 0.233 424 S C 1.645 176.253 174.600 0.014 0.000 1.006 424 S CA 1.200 59.410 58.200 0.017 0.000 0.957 424 S CB -0.147 63.066 63.200 0.021 0.000 0.773 424 S HN 0.379 nan 8.310 nan 0.000 0.507 425 K N 1.354 121.763 120.400 0.015 0.000 2.296 425 K HA 0.263 4.583 4.320 0.000 0.000 0.200 425 K C 1.238 177.844 176.600 0.008 0.000 1.048 425 K CA 0.528 56.822 56.287 0.011 0.000 0.966 425 K CB -0.480 32.028 32.500 0.013 0.000 0.754 425 K HN 0.482 nan 8.250 nan 0.000 0.466 426 L N 0.345 121.573 121.223 0.009 0.000 2.791 426 L HA 0.242 4.582 4.340 0.000 0.000 0.239 426 L C 1.648 178.521 176.870 0.006 0.000 1.203 426 L CA -0.231 54.613 54.840 0.007 0.000 1.002 426 L CB -0.048 42.015 42.059 0.007 0.000 1.295 426 L HN -0.092 nan 8.230 nan 0.000 0.504 427 A N -0.062 122.762 122.820 0.005 0.000 1.978 427 A HA -0.204 4.117 4.320 0.000 0.000 0.220 427 A C 1.600 179.185 177.584 0.003 0.000 1.170 427 A CA 1.760 53.800 52.037 0.004 0.000 0.636 427 A CB -0.203 18.799 19.000 0.004 0.000 0.810 427 A HN 0.353 nan 8.150 nan 0.000 0.448 428 D N -1.223 119.179 120.400 0.003 0.000 2.328 428 D HA 0.193 4.833 4.640 0.000 0.000 0.221 428 D C 0.007 176.308 176.300 0.002 0.000 1.072 428 D CA -0.119 53.882 54.000 0.002 0.000 0.850 428 D CB -0.081 40.719 40.800 0.001 0.000 0.922 428 D HN 0.337 nan 8.370 nan 0.000 0.516 429 L N 1.593 122.817 121.223 0.002 0.000 2.367 429 L HA 0.195 4.535 4.340 0.000 0.000 0.275 429 L C 0.020 176.891 176.870 0.002 0.000 1.129 429 L CA 0.310 55.151 54.840 0.002 0.000 0.839 429 L CB 0.254 42.315 42.059 0.003 0.000 1.133 429 L HN -0.240 nan 8.230 nan 0.000 0.453 430 R N 3.275 123.776 120.500 0.002 0.000 2.837 430 R HA 0.676 5.016 4.340 0.000 0.000 0.271 430 R C -0.138 176.163 176.300 0.001 0.000 0.993 430 R CA -0.430 55.670 56.100 0.001 0.000 0.931 430 R CB 1.506 31.806 30.300 0.001 0.000 1.206 430 R HN 0.788 nan 8.270 nan 0.000 0.474 431 G N -0.227 108.574 108.800 0.001 0.000 2.857 431 G HA2 0.202 4.162 3.960 0.000 0.000 0.217 431 G HA3 0.202 4.162 3.960 0.000 0.000 0.217 431 G C 0.099 175.000 174.900 0.001 0.000 1.357 431 G CA -0.218 44.883 45.100 0.001 0.000 1.033 431 G HN 0.432 nan 8.290 nan 0.000 0.571 432 Q N -0.633 119.168 119.800 0.001 0.000 2.376 432 Q HA 0.129 4.469 4.340 0.000 0.000 0.206 432 Q C 0.030 176.031 176.000 0.001 0.000 0.921 432 Q CA 0.667 56.471 55.803 0.001 0.000 0.911 432 Q CB 0.210 28.949 28.738 0.001 0.000 1.032 432 Q HN 0.630 nan 8.270 nan 0.000 0.510 433 N N -1.750 116.951 118.700 0.002 0.000 2.972 433 N HA 0.064 4.804 4.740 0.000 0.000 0.262 433 N C -0.018 175.493 175.510 0.002 0.000 1.478 433 N CA -0.553 52.498 53.050 0.002 0.000 0.841 433 N CB 0.482 38.971 38.487 0.002 0.000 1.512 433 N HN -0.294 nan 8.380 nan 0.000 0.548 434 E N -0.252 119.949 120.200 0.002 0.000 2.072 434 E HA -0.121 4.229 4.350 0.000 0.000 0.191 434 E C 0.428 177.029 176.600 0.003 0.000 0.985 434 E CA 1.545 57.946 56.400 0.002 0.000 0.801 434 E CB -0.427 29.274 29.700 0.002 0.000 0.750 434 E HN 0.613 nan 8.360 nan 0.000 0.452 435 D N 0.207 120.609 120.400 0.003 0.000 2.158 435 D HA -0.190 4.450 4.640 0.000 0.000 0.197 435 D C 1.885 178.188 176.300 0.004 0.000 0.995 435 D CA 1.121 55.123 54.000 0.004 0.000 0.846 435 D CB -0.191 40.611 40.800 0.004 0.000 0.941 435 D HN 0.373 nan 8.370 nan 0.000 0.456 436 Q N -0.158 119.644 119.800 0.003 0.000 2.079 436 Q HA -0.089 4.251 4.340 0.000 0.000 0.200 436 Q C 1.876 177.877 176.000 0.003 0.000 0.974 436 Q CA 0.747 56.552 55.803 0.003 0.000 0.840 436 Q CB 0.014 28.754 28.738 0.003 0.000 0.898 436 Q HN 0.286 nan 8.270 nan 0.000 0.430 437 N N 0.170 118.872 118.700 0.003 0.000 2.069 437 N HA -0.143 4.597 4.740 0.000 0.000 0.191 437 N C 1.913 177.425 175.510 0.003 0.000 1.031 437 N CA 1.155 54.207 53.050 0.003 0.000 0.852 437 N CB -0.500 37.989 38.487 0.002 0.000 1.018 437 N HN 0.049 nan 8.380 nan 0.000 0.423 438 V N 1.181 121.097 119.914 0.004 0.000 2.332 438 V HA -0.192 3.928 4.120 0.000 0.000 0.248 438 V C 2.491 178.588 176.094 0.005 0.000 1.055 438 V CA 2.083 64.385 62.300 0.004 0.000 1.038 438 V CB -1.326 30.500 31.823 0.004 0.000 0.651 438 V HN 0.373 nan 8.190 nan 0.000 0.450 439 G N -0.186 108.617 108.800 0.005 0.000 2.440 439 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 439 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 439 G C 1.568 176.471 174.900 0.005 0.000 1.154 439 G CA 1.202 46.305 45.100 0.006 0.000 0.767 439 G HN 0.497 nan 8.290 nan 0.000 0.552 440 I N 0.288 120.861 120.570 0.004 0.000 2.142 440 I HA -0.149 4.021 4.170 0.000 0.000 0.240 440 I C 2.774 178.894 176.117 0.005 0.000 1.078 440 I CA 1.086 62.389 61.300 0.004 0.000 1.343 440 I CB -0.129 37.873 38.000 0.003 0.000 1.046 440 I HN -0.000 nan 8.210 nan 0.000 0.405 441 K N 0.604 121.007 120.400 0.005 0.000 2.063 441 K HA -0.125 4.195 4.320 0.000 0.000 0.208 441 K C 2.153 178.757 176.600 0.006 0.000 1.048 441 K CA 1.107 57.397 56.287 0.005 0.000 0.928 441 K CB -0.826 31.677 32.500 0.005 0.000 0.713 441 K HN 0.208 nan 8.250 nan 0.000 0.442 442 V N 1.707 121.625 119.914 0.007 0.000 2.252 442 V HA -0.301 3.819 4.120 0.000 0.000 0.249 442 V C 2.507 178.606 176.094 0.009 0.000 1.056 442 V CA 2.230 64.535 62.300 0.008 0.000 1.022 442 V CB -0.844 30.984 31.823 0.008 0.000 0.641 442 V HN 0.350 nan 8.190 nan 0.000 0.445 443 A N -0.629 122.196 122.820 0.009 0.000 1.930 443 A HA -0.114 4.206 4.320 0.000 0.000 0.217 443 A C 2.173 179.763 177.584 0.010 0.000 1.175 443 A CA 1.683 53.726 52.037 0.009 0.000 0.627 443 A CB -0.467 18.538 19.000 0.007 0.000 0.815 443 A HN 0.534 nan 8.150 nan 0.000 0.443 444 L N -1.492 119.737 121.223 0.009 0.000 2.109 444 L HA -0.096 4.244 4.340 0.000 0.000 0.207 444 L C 2.807 179.683 176.870 0.011 0.000 1.086 444 L CA 1.070 55.916 54.840 0.010 0.000 0.760 444 L CB -0.492 41.572 42.059 0.009 0.000 0.910 444 L HN 0.332 nan 8.230 nan 0.000 0.437 445 R N 0.149 120.655 120.500 0.010 0.000 2.092 445 R HA -0.100 4.240 4.340 0.000 0.000 0.231 445 R C 2.427 178.734 176.300 0.012 0.000 1.119 445 R CA 1.266 57.372 56.100 0.010 0.000 0.970 445 R CB -0.320 29.985 30.300 0.008 0.000 0.864 445 R HN 0.338 nan 8.270 nan 0.000 0.440 446 A N 0.784 123.612 122.820 0.013 0.000 1.972 446 A HA -0.158 4.163 4.320 0.000 0.000 0.219 446 A C 2.053 179.648 177.584 0.017 0.000 1.169 446 A CA 1.250 53.296 52.037 0.015 0.000 0.635 446 A CB -0.366 18.643 19.000 0.015 0.000 0.810 446 A HN 0.224 nan 8.150 nan 0.000 0.446 447 M N -0.549 119.061 119.600 0.017 0.000 2.460 447 M HA -0.124 4.356 4.480 0.000 0.000 0.263 447 M C 1.438 177.751 176.300 0.021 0.000 1.071 447 M CA 1.158 56.470 55.300 0.020 0.000 1.096 447 M CB -0.303 32.308 32.600 0.019 0.000 1.408 447 M HN 0.455 nan 8.290 nan 0.000 0.463 448 E N 0.358 120.569 120.200 0.019 0.000 2.435 448 E HA 0.022 4.373 4.350 0.000 0.000 0.195 448 E C 2.062 178.673 176.600 0.018 0.000 1.029 448 E CA 0.478 56.890 56.400 0.019 0.000 0.865 448 E CB 0.030 29.738 29.700 0.015 0.000 0.833 448 E HN 0.497 nan 8.360 nan 0.000 0.510 449 A N 2.371 125.202 122.820 0.017 0.000 1.902 449 A HA -0.099 4.221 4.320 0.000 0.000 0.217 449 A C -0.316 177.279 177.584 0.019 0.000 1.181 449 A CA 1.050 53.097 52.037 0.016 0.000 0.623 449 A CB -1.244 17.765 19.000 0.016 0.000 0.818 449 A HN 0.130 nan 8.150 nan 0.000 0.443 450 P HA -0.163 nan 4.420 nan 0.000 0.214 450 P C 1.840 179.156 177.300 0.026 0.000 1.163 450 P CA 1.042 64.156 63.100 0.024 0.000 0.883 450 P CB -0.145 31.571 31.700 0.026 0.000 0.788 451 L N -0.615 120.626 121.223 0.030 0.000 2.012 451 L HA -0.182 4.158 4.340 0.000 0.000 0.210 451 L C 2.471 179.357 176.870 0.027 0.000 1.073 451 L CA 1.807 56.669 54.840 0.037 0.000 0.748 451 L CB -0.441 41.644 42.059 0.043 0.000 0.891 451 L HN -0.212 nan 8.230 nan 0.000 0.431 452 R N -0.725 119.784 120.500 0.015 0.000 2.103 452 R HA -0.256 4.085 4.340 0.000 0.000 0.242 452 R C 2.346 178.651 176.300 0.009 0.000 1.142 452 R CA 1.936 58.039 56.100 0.005 0.000 0.960 452 R CB -0.403 29.899 30.300 0.004 0.000 0.858 452 R HN 0.468 nan 8.270 nan 0.000 0.439 453 Q N 1.031 120.840 119.800 0.015 0.000 2.016 453 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 453 Q C 1.922 177.935 176.000 0.022 0.000 0.978 453 Q CA 1.557 57.370 55.803 0.016 0.000 0.833 453 Q CB -0.237 28.510 28.738 0.016 0.000 0.895 453 Q HN 0.316 nan 8.270 nan 0.000 0.427 454 I N -0.397 120.191 120.570 0.029 0.000 2.145 454 I HA -0.325 3.845 4.170 0.000 0.000 0.244 454 I C 2.084 178.234 176.117 0.054 0.000 1.075 454 I CA 1.227 62.551 61.300 0.040 0.000 1.332 454 I CB -0.420 37.610 38.000 0.050 0.000 1.033 454 I HN 0.091 nan 8.210 nan 0.000 0.410 455 V N 0.365 120.309 119.914 0.050 0.000 2.358 455 V HA -0.255 3.865 4.120 0.000 0.000 0.246 455 V C 2.336 178.445 176.094 0.025 0.000 1.047 455 V CA 1.549 63.873 62.300 0.041 0.000 1.035 455 V CB -0.509 31.296 31.823 -0.031 0.000 0.658 455 V HN 0.336 nan 8.190 nan 0.000 0.452 456 L N 0.821 122.052 121.223 0.015 0.000 2.017 456 L HA -0.136 4.204 4.340 0.000 0.000 0.208 456 L C 2.249 179.129 176.870 0.017 0.000 1.073 456 L CA 1.918 56.765 54.840 0.011 0.000 0.745 456 L CB -0.914 41.150 42.059 0.008 0.000 0.894 456 L HN 0.303 nan 8.230 nan 0.000 0.432 457 N N -0.847 117.864 118.700 0.019 0.000 2.094 457 N HA -0.212 4.528 4.740 0.000 0.000 0.191 457 N C 1.795 177.318 175.510 0.021 0.000 1.023 457 N CA 1.849 54.910 53.050 0.018 0.000 0.857 457 N CB -0.987 37.511 38.487 0.017 0.000 1.013 457 N HN 0.420 nan 8.380 nan 0.000 0.426 458 C N -0.356 118.964 119.300 0.033 0.000 2.491 458 C HA 0.187 4.647 4.460 0.000 0.000 0.277 458 C C 1.633 176.645 174.990 0.037 0.000 1.455 458 C CA 0.385 59.427 59.018 0.041 0.000 1.758 458 C CB -1.446 26.340 27.740 0.077 0.000 1.745 458 C HN 0.665 nan 8.230 nan 0.000 0.558 459 G N 1.037 109.853 108.800 0.028 0.000 2.176 459 G HA2 -0.172 3.788 3.960 0.000 0.000 0.252 459 G HA3 -0.172 3.788 3.960 0.000 0.000 0.252 459 G C -0.279 174.635 174.900 0.023 0.000 1.024 459 G CA 0.226 45.338 45.100 0.021 0.000 0.755 459 G HN 0.543 nan 8.290 nan 0.000 0.507 460 E N 0.056 120.271 120.200 0.025 0.000 2.232 460 E HA 0.419 4.769 4.350 0.000 0.000 0.264 460 E C 0.166 176.759 176.600 -0.012 0.000 0.973 460 E CA -0.844 55.563 56.400 0.012 0.000 0.849 460 E CB 0.886 30.596 29.700 0.016 0.000 1.198 460 E HN 0.484 nan 8.360 nan 0.000 0.407 461 E N 2.069 122.255 120.200 -0.023 0.000 2.220 461 E HA 0.052 4.402 4.350 0.000 0.000 0.272 461 E C -1.602 174.969 176.600 -0.048 0.000 1.099 461 E CA -1.470 54.914 56.400 -0.026 0.000 0.907 461 E CB 0.645 30.333 29.700 -0.019 0.000 1.022 461 E HN 0.127 nan 8.360 nan 0.000 0.428 462 P HA -0.175 nan 4.420 nan 0.000 0.216 462 P C 0.819 178.093 177.300 -0.044 0.000 1.150 462 P CA 1.124 64.199 63.100 -0.042 0.000 0.837 462 P CB 0.351 32.039 31.700 -0.019 0.000 0.786 463 S N -0.815 114.866 115.700 -0.031 0.000 2.383 463 S HA -0.080 4.390 4.470 0.000 0.000 0.227 463 S C 2.003 176.584 174.600 -0.032 0.000 1.026 463 S CA 1.123 59.308 58.200 -0.025 0.000 0.981 463 S CB -1.251 61.940 63.200 -0.016 0.000 0.818 463 S HN -0.011 nan 8.310 nan 0.000 0.472 464 V N 1.584 121.474 119.914 -0.040 0.000 2.379 464 V HA -0.090 4.030 4.120 0.000 0.000 0.245 464 V C 2.339 178.399 176.094 -0.058 0.000 1.044 464 V CA 1.179 63.455 62.300 -0.040 0.000 1.036 464 V CB -0.754 31.050 31.823 -0.031 0.000 0.664 464 V HN 0.339 nan 8.190 nan 0.000 0.453 465 V N 0.413 120.260 119.914 -0.111 0.000 2.283 465 V HA -0.197 3.923 4.120 0.000 0.000 0.243 465 V C 2.790 178.842 176.094 -0.070 0.000 1.039 465 V CA 1.825 64.020 62.300 -0.175 0.000 1.016 465 V CB -1.232 30.325 31.823 -0.444 0.000 0.650 465 V HN 0.521 nan 8.190 nan 0.000 0.449 466 A N 0.546 123.334 122.820 -0.053 0.000 1.915 466 A HA -0.392 3.928 4.320 0.000 0.000 0.220 466 A C 2.056 179.643 177.584 0.004 0.000 1.198 466 A CA 2.834 54.865 52.037 -0.011 0.000 0.647 466 A CB -1.055 17.939 19.000 -0.010 0.000 0.825 466 A HN 0.614 nan 8.150 nan 0.000 0.456 467 N N -0.890 117.804 118.700 -0.010 0.000 2.043 467 N HA -0.124 4.616 4.740 0.000 0.000 0.193 467 N C 1.761 177.266 175.510 -0.008 0.000 1.037 467 N CA 2.348 55.392 53.050 -0.009 0.000 0.851 467 N CB -0.486 37.990 38.487 -0.019 0.000 1.027 467 N HN 0.485 nan 8.380 nan 0.000 0.422 468 T N -0.435 114.107 114.554 -0.020 0.000 2.746 468 T HA -0.077 4.273 4.350 0.000 0.000 0.267 468 T C 2.000 176.722 174.700 0.037 0.000 1.039 468 T CA 1.196 63.262 62.100 -0.057 0.000 1.142 468 T CB -0.442 68.319 68.868 -0.177 0.000 0.866 468 T HN 0.009 nan 8.240 nan 0.000 0.444 469 V N 1.598 121.578 119.914 0.110 0.000 2.343 469 V HA -0.161 3.959 4.120 0.000 0.000 0.247 469 V C 2.513 178.688 176.094 0.135 0.000 1.051 469 V CA 1.444 63.852 62.300 0.180 0.000 1.036 469 V CB -0.493 31.423 31.823 0.154 0.000 0.654 469 V HN 0.454 nan 8.190 nan 0.000 0.451 470 K N 0.266 120.710 120.400 0.073 0.000 2.211 470 K HA -0.138 4.182 4.320 0.000 0.000 0.204 470 K C 2.113 178.733 176.600 0.034 0.000 1.047 470 K CA 1.447 57.762 56.287 0.048 0.000 0.935 470 K CB -0.507 32.007 32.500 0.025 0.000 0.728 470 K HN 0.589 nan 8.250 nan 0.000 0.452 471 G N 0.905 109.719 108.800 0.022 0.000 2.572 471 G HA2 -0.041 3.919 3.960 0.000 0.000 0.216 471 G HA3 -0.041 3.919 3.960 0.000 0.000 0.216 471 G C 0.754 175.630 174.900 -0.040 0.000 1.133 471 G CA 0.443 45.533 45.100 -0.016 0.000 0.791 471 G HN 0.335 nan 8.290 nan 0.000 0.538 472 G N -0.831 107.984 108.800 0.025 0.000 2.588 472 G HA2 0.470 4.430 3.960 0.000 0.000 0.278 472 G HA3 0.470 4.430 3.960 0.000 0.000 0.278 472 G C -1.073 173.834 174.900 0.012 0.000 1.307 472 G CA -0.381 44.696 45.100 -0.038 0.000 1.016 472 G HN 0.102 nan 8.290 nan 0.000 0.503 473 D N -1.555 118.849 120.400 0.007 0.000 2.732 473 D HA 0.507 5.147 4.640 0.000 0.000 0.229 473 D C 0.868 177.219 176.300 0.085 0.000 1.152 473 D CA 0.743 54.762 54.000 0.031 0.000 0.854 473 D CB 2.073 42.861 40.800 -0.020 0.000 1.590 473 D HN 0.816 nan 8.370 nan 0.000 0.468 474 G N 2.545 111.387 108.800 0.070 0.000 2.596 474 G HA2 -0.354 3.606 3.960 0.000 0.000 0.304 474 G HA3 -0.354 3.606 3.960 0.000 0.000 0.304 474 G C 0.313 175.272 174.900 0.098 0.000 1.189 474 G CA 0.388 45.532 45.100 0.072 0.000 0.986 474 G HN 0.615 nan 8.290 nan 0.000 0.548 475 N N 0.105 118.868 118.700 0.105 0.000 2.453 475 N HA 0.416 5.156 4.740 0.000 0.000 0.270 475 N C -0.313 175.280 175.510 0.139 0.000 1.195 475 N CA -0.162 52.948 53.050 0.099 0.000 0.902 475 N CB 0.374 38.899 38.487 0.064 0.000 1.186 475 N HN 0.544 nan 8.380 nan 0.000 0.510 476 Y N 0.365 120.696 120.300 0.052 0.000 2.310 476 Y HA 0.661 5.211 4.550 0.000 0.000 0.326 476 Y C 0.548 176.513 175.900 0.108 0.000 1.151 476 Y CA -0.217 57.927 58.100 0.074 0.000 1.195 476 Y CB 0.785 39.285 38.460 0.068 0.000 1.210 476 Y HN 0.034 nan 8.280 nan 0.000 0.483 477 G N 3.266 111.755 108.800 -0.518 0.000 2.561 477 G HA2 0.139 4.099 3.960 0.000 0.000 0.310 477 G HA3 0.139 4.099 3.960 0.000 0.000 0.310 477 G C -2.493 172.290 174.900 -0.195 0.000 1.292 477 G CA -1.003 43.949 45.100 -0.246 0.000 0.811 477 G HN 0.614 nan 8.290 nan 0.000 0.482 478 Y N 1.929 122.131 120.300 -0.163 0.000 2.404 478 Y HA 0.532 5.082 4.550 0.000 0.000 0.344 478 Y C 0.406 176.135 175.900 -0.285 0.000 0.970 478 Y CA -1.288 56.604 58.100 -0.347 0.000 1.180 478 Y CB 0.913 39.260 38.460 -0.188 0.000 1.138 478 Y HN 0.419 nan 8.280 nan 0.000 0.510 479 N N 4.884 123.142 118.700 -0.736 0.000 2.423 479 N HA -0.001 4.739 4.740 0.000 0.000 0.275 479 N C 0.686 175.716 175.510 -0.800 0.000 1.283 479 N CA 0.767 53.458 53.050 -0.598 0.000 0.932 479 N CB 1.057 39.270 38.487 -0.457 0.000 1.185 479 N HN 0.892 nan 8.380 nan 0.000 0.483 480 A N 3.362 125.910 122.820 -0.454 0.000 2.172 480 A HA 0.046 4.366 4.320 0.000 0.000 0.216 480 A C 1.715 179.164 177.584 -0.224 0.000 1.154 480 A CA 1.605 53.470 52.037 -0.288 0.000 0.701 480 A CB -0.144 18.805 19.000 -0.085 0.000 0.789 480 A HN 0.723 nan 8.150 nan 0.000 0.465 481 A N -1.187 121.490 122.820 -0.239 0.000 1.993 481 A HA 0.209 4.529 4.320 0.000 0.000 0.202 481 A C 1.923 179.404 177.584 -0.171 0.000 1.461 481 A CA 1.464 53.406 52.037 -0.158 0.000 0.824 481 A CB -0.395 18.536 19.000 -0.115 0.000 1.024 481 A HN 0.694 nan 8.150 nan 0.000 0.507 482 T N -2.955 111.471 114.554 -0.213 0.000 3.214 482 T HA 0.306 4.656 4.350 0.000 0.000 0.264 482 T C -0.045 174.519 174.700 -0.227 0.000 1.012 482 T CA 0.556 62.550 62.100 -0.176 0.000 0.901 482 T CB -0.048 68.741 68.868 -0.131 0.000 1.070 482 T HN 0.416 nan 8.240 nan 0.000 0.561 483 E N 0.254 120.232 120.200 -0.371 0.000 2.971 483 E HA -0.156 4.194 4.350 0.000 0.000 0.278 483 E C -0.525 175.822 176.600 -0.421 0.000 1.009 483 E CA 0.712 56.872 56.400 -0.399 0.000 0.862 483 E CB -1.644 27.983 29.700 -0.122 0.000 1.436 483 E HN 0.793 nan 8.360 nan 0.000 0.434 484 E N -0.321 119.590 120.200 -0.482 0.000 2.214 484 E HA 0.416 4.766 4.350 0.000 0.000 0.274 484 E C -0.545 175.787 176.600 -0.447 0.000 0.977 484 E CA -0.465 55.739 56.400 -0.327 0.000 0.827 484 E CB 0.843 30.429 29.700 -0.189 0.000 1.130 484 E HN 0.065 nan 8.360 nan 0.000 0.394 485 Y N 0.802 121.059 120.300 -0.072 0.000 2.402 485 Y HA 0.535 5.085 4.550 0.000 0.000 0.332 485 Y C 0.639 176.454 175.900 -0.142 0.000 0.960 485 Y CA -0.359 57.643 58.100 -0.163 0.000 1.228 485 Y CB 1.743 40.237 38.460 0.056 0.000 1.120 485 Y HN 0.627 nan 8.280 nan 0.000 0.491 486 G N 1.800 110.468 108.800 -0.221 0.000 2.561 486 G HA2 0.011 3.971 3.960 0.000 0.000 0.310 486 G HA3 0.011 3.971 3.960 0.000 0.000 0.310 486 G C -1.575 173.308 174.900 -0.028 0.000 1.292 486 G CA -1.157 43.951 45.100 0.013 0.000 0.811 486 G HN 0.414 nan 8.290 nan 0.000 0.482 487 N N 1.363 120.119 118.700 0.093 0.000 2.400 487 N HA -0.008 4.732 4.740 0.000 0.000 0.278 487 N C 1.738 177.255 175.510 0.011 0.000 1.247 487 N CA -0.365 52.732 53.050 0.079 0.000 0.970 487 N CB 0.332 38.871 38.487 0.086 0.000 1.312 487 N HN 0.349 nan 8.380 nan 0.000 0.488 488 M N 3.278 122.870 119.600 -0.013 0.000 2.143 488 M HA -0.233 4.247 4.480 0.000 0.000 0.258 488 M C 1.736 178.025 176.300 -0.018 0.000 1.071 488 M CA 1.476 56.755 55.300 -0.036 0.000 1.088 488 M CB -0.493 32.089 32.600 -0.030 0.000 1.360 488 M HN 0.596 nan 8.290 nan 0.000 0.404 489 I N -0.176 120.396 120.570 0.003 0.000 2.233 489 I HA -0.256 3.914 4.170 0.000 0.000 0.243 489 I C 1.890 178.007 176.117 0.001 0.000 1.093 489 I CA 1.067 62.369 61.300 0.004 0.000 1.380 489 I CB -0.545 37.463 38.000 0.014 0.000 1.067 489 I HN 0.183 nan 8.210 nan 0.000 0.413 490 D N 1.077 121.481 120.400 0.007 0.000 2.218 490 D HA -0.142 4.498 4.640 0.000 0.000 0.204 490 D C 1.831 178.128 176.300 -0.005 0.000 0.976 490 D CA 1.221 55.224 54.000 0.005 0.000 0.853 490 D CB -0.078 40.730 40.800 0.014 0.000 0.939 490 D HN 0.451 nan 8.370 nan 0.000 0.481 491 M N -2.984 116.607 119.600 -0.015 0.000 2.549 491 M HA 0.417 4.897 4.480 0.000 0.000 0.273 491 M C 0.946 177.224 176.300 -0.036 0.000 1.213 491 M CA 0.196 55.479 55.300 -0.029 0.000 0.976 491 M CB 0.672 33.247 32.600 -0.042 0.000 1.457 491 M HN -0.079 nan 8.290 nan 0.000 0.485 492 G N 2.222 111.006 108.800 -0.026 0.000 2.143 492 G HA2 -0.231 3.729 3.960 0.000 0.000 0.248 492 G HA3 -0.231 3.729 3.960 0.000 0.000 0.248 492 G C -0.199 174.682 174.900 -0.031 0.000 0.991 492 G CA 0.084 45.168 45.100 -0.026 0.000 0.689 492 G HN 0.625 nan 8.290 nan 0.000 0.522 493 I N 1.030 121.578 120.570 -0.037 0.000 2.388 493 I HA 0.579 4.749 4.170 0.000 0.000 0.281 493 I C 0.100 176.204 176.117 -0.022 0.000 1.046 493 I CA -0.934 60.343 61.300 -0.039 0.000 1.187 493 I CB 0.703 38.665 38.000 -0.063 0.000 1.351 493 I HN 0.230 nan 8.210 nan 0.000 0.472 494 L N 2.894 124.110 121.223 -0.013 0.000 2.469 494 L HA 0.783 5.123 4.340 0.000 0.000 0.256 494 L C -1.354 175.518 176.870 0.003 0.000 1.006 494 L CA -0.716 54.123 54.840 -0.002 0.000 0.832 494 L CB 1.631 43.691 42.059 0.002 0.000 1.421 494 L HN 0.051 nan 8.230 nan 0.000 0.410 495 D N 0.235 120.641 120.400 0.010 0.000 2.457 495 D HA 0.509 5.149 4.640 0.000 0.000 0.240 495 D C -2.743 173.568 176.300 0.018 0.000 1.041 495 D CA -1.264 52.744 54.000 0.015 0.000 0.861 495 D CB 2.390 43.201 40.800 0.019 0.000 1.394 495 D HN 0.382 nan 8.370 nan 0.000 0.473 496 P HA 0.044 nan 4.420 nan 0.000 0.265 496 P C 0.847 178.161 177.300 0.024 0.000 1.193 496 P CA 0.078 63.192 63.100 0.022 0.000 0.765 496 P CB 0.555 32.271 31.700 0.026 0.000 0.823 497 T N 2.229 116.796 114.554 0.021 0.000 2.759 497 T HA -0.214 4.136 4.350 0.000 0.000 0.269 497 T C 1.617 176.330 174.700 0.023 0.000 1.042 497 T CA 1.347 63.459 62.100 0.021 0.000 1.140 497 T CB -0.316 68.562 68.868 0.017 0.000 0.864 497 T HN 0.495 nan 8.240 nan 0.000 0.455 498 K N 0.929 121.345 120.400 0.025 0.000 2.063 498 K HA -0.133 4.187 4.320 0.000 0.000 0.208 498 K C 2.436 179.062 176.600 0.044 0.000 1.048 498 K CA 1.618 57.924 56.287 0.031 0.000 0.928 498 K CB -0.346 32.173 32.500 0.031 0.000 0.713 498 K HN 0.375 nan 8.250 nan 0.000 0.442 499 V N -0.999 118.941 119.914 0.044 0.000 2.453 499 V HA -0.147 3.973 4.120 0.000 0.000 0.247 499 V C 1.742 177.867 176.094 0.053 0.000 1.048 499 V CA 2.216 64.547 62.300 0.053 0.000 1.049 499 V CB -0.732 31.118 31.823 0.045 0.000 0.672 499 V HN 0.270 nan 8.190 nan 0.000 0.457 500 T N 0.368 114.946 114.554 0.040 0.000 2.777 500 T HA -0.103 4.247 4.350 0.000 0.000 0.266 500 T C 1.980 176.701 174.700 0.035 0.000 1.040 500 T CA 1.902 64.024 62.100 0.036 0.000 1.141 500 T CB -0.359 68.526 68.868 0.029 0.000 0.868 500 T HN 0.591 nan 8.240 nan 0.000 0.444 501 R N 1.054 121.570 120.500 0.028 0.000 2.070 501 R HA -0.091 4.249 4.340 0.000 0.000 0.233 501 R C 2.558 178.866 176.300 0.012 0.000 1.137 501 R CA 1.780 57.888 56.100 0.013 0.000 0.945 501 R CB -0.388 29.915 30.300 0.004 0.000 0.845 501 R HN 0.242 nan 8.270 nan 0.000 0.430 502 S N 0.629 116.359 115.700 0.049 0.000 2.356 502 S HA -0.140 4.330 4.470 0.000 0.000 0.223 502 S C 2.041 176.755 174.600 0.191 0.000 1.032 502 S CA 1.173 59.442 58.200 0.114 0.000 1.005 502 S CB -0.315 63.012 63.200 0.211 0.000 0.867 502 S HN 0.577 nan 8.310 nan 0.000 0.449 503 A N 1.472 124.376 122.820 0.141 0.000 1.892 503 A HA -0.118 4.202 4.320 0.000 0.000 0.218 503 A C 2.156 179.800 177.584 0.100 0.000 1.188 503 A CA 1.671 53.784 52.037 0.126 0.000 0.631 503 A CB -0.799 18.247 19.000 0.077 0.000 0.822 503 A HN 0.418 nan 8.150 nan 0.000 0.447 504 L N -0.392 120.865 121.223 0.055 0.000 2.027 504 L HA -0.164 4.177 4.340 0.000 0.000 0.206 504 L C 2.489 179.363 176.870 0.007 0.000 1.074 504 L CA 2.346 57.203 54.840 0.029 0.000 0.745 504 L CB -0.825 41.243 42.059 0.014 0.000 0.898 504 L HN 0.513 nan 8.230 nan 0.000 0.433 505 Q N -1.751 118.024 119.800 -0.042 0.000 2.050 505 Q HA -0.232 4.109 4.340 0.000 0.000 0.202 505 Q C 2.178 178.092 176.000 -0.142 0.000 0.980 505 Q CA 2.199 57.921 55.803 -0.136 0.000 0.840 505 Q CB -0.327 28.258 28.738 -0.255 0.000 0.898 505 Q HN 0.526 nan 8.270 nan 0.000 0.424 506 Y N 0.012 120.317 120.300 0.008 0.000 2.200 506 Y HA -0.186 4.364 4.550 0.000 0.000 0.290 506 Y C 2.351 178.256 175.900 0.008 0.000 1.137 506 Y CA 0.996 59.100 58.100 0.008 0.000 1.163 506 Y CB -0.661 37.804 38.460 0.008 0.000 0.988 506 Y HN 0.144 nan 8.280 nan 0.000 0.518 507 A N 0.126 123.039 122.820 0.154 0.000 1.883 507 A HA -0.180 4.140 4.320 0.000 0.000 0.217 507 A C 2.472 180.092 177.584 0.060 0.000 1.186 507 A CA 2.097 54.189 52.037 0.090 0.000 0.624 507 A CB -1.307 17.733 19.000 0.067 0.000 0.822 507 A HN 0.400 nan 8.150 nan 0.000 0.444 508 A N -0.887 121.956 122.820 0.038 0.000 1.933 508 A HA -0.087 4.233 4.320 0.000 0.000 0.218 508 A C 2.458 180.054 177.584 0.021 0.000 1.175 508 A CA 2.162 54.211 52.037 0.019 0.000 0.628 508 A CB -0.953 18.047 19.000 0.000 0.000 0.814 508 A HN 0.602 nan 8.150 nan 0.000 0.444 509 S N -0.851 114.864 115.700 0.025 0.000 2.351 509 S HA -0.157 4.313 4.470 0.000 0.000 0.220 509 S C 1.975 176.604 174.600 0.048 0.000 1.035 509 S CA 1.904 60.123 58.200 0.032 0.000 1.031 509 S CB -0.592 62.639 63.200 0.052 0.000 0.928 509 S HN 0.507 nan 8.310 nan 0.000 0.433 510 V N 1.576 121.531 119.914 0.067 0.000 2.453 510 V HA 0.069 4.189 4.120 0.000 0.000 0.247 510 V C 2.626 178.744 176.094 0.040 0.000 1.048 510 V CA 1.859 64.193 62.300 0.056 0.000 1.049 510 V CB -0.980 30.880 31.823 0.061 0.000 0.672 510 V HN 0.600 nan 8.190 nan 0.000 0.457 511 A N 0.065 122.908 122.820 0.038 0.000 1.902 511 A HA -0.051 4.269 4.320 0.000 0.000 0.217 511 A C 2.351 179.949 177.584 0.024 0.000 1.181 511 A CA 1.892 53.946 52.037 0.029 0.000 0.623 511 A CB -1.375 17.641 19.000 0.027 0.000 0.818 511 A HN 0.630 nan 8.150 nan 0.000 0.443 512 G N -0.098 108.716 108.800 0.023 0.000 2.440 512 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 512 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 512 G C 1.549 176.461 174.900 0.020 0.000 1.154 512 G CA 1.081 46.192 45.100 0.018 0.000 0.767 512 G HN 0.441 nan 8.290 nan 0.000 0.552 513 L N -0.385 120.852 121.223 0.024 0.000 2.083 513 L HA -0.006 4.334 4.340 0.000 0.000 0.209 513 L C 3.076 179.961 176.870 0.025 0.000 1.083 513 L CA 0.908 55.763 54.840 0.025 0.000 0.752 513 L CB -0.289 41.786 42.059 0.028 0.000 0.899 513 L HN 0.232 nan 8.230 nan 0.000 0.433 514 M N -0.705 118.910 119.600 0.026 0.000 2.156 514 M HA -0.166 4.314 4.480 0.000 0.000 0.264 514 M C 2.291 178.605 176.300 0.023 0.000 1.067 514 M CA 1.699 57.014 55.300 0.025 0.000 1.131 514 M CB -0.184 32.431 32.600 0.026 0.000 1.368 514 M HN 0.173 nan 8.290 nan 0.000 0.416 515 I N 0.006 120.589 120.570 0.021 0.000 2.361 515 I HA -0.236 3.934 4.170 0.000 0.000 0.251 515 I C 1.827 177.956 176.117 0.020 0.000 1.133 515 I CA 1.464 62.776 61.300 0.019 0.000 1.413 515 I CB -0.323 37.687 38.000 0.017 0.000 1.073 515 I HN 0.379 nan 8.210 nan 0.000 0.424 516 T N -3.247 111.320 114.554 0.021 0.000 3.223 516 T HA 0.157 4.507 4.350 0.000 0.000 0.259 516 T C 0.497 175.212 174.700 0.026 0.000 1.015 516 T CA -0.306 61.807 62.100 0.022 0.000 0.908 516 T CB -0.484 68.396 68.868 0.020 0.000 1.054 516 T HN -0.054 nan 8.240 nan 0.000 0.567 517 T N 2.283 116.853 114.554 0.026 0.000 2.767 517 T HA 0.317 4.667 4.350 0.000 0.000 0.288 517 T C 0.597 175.317 174.700 0.034 0.000 0.963 517 T CA -0.550 61.567 62.100 0.029 0.000 1.019 517 T CB 1.594 70.478 68.868 0.026 0.000 0.923 517 T HN 0.116 nan 8.240 nan 0.000 0.468 518 E N 0.617 120.844 120.200 0.045 0.000 2.447 518 E HA 0.169 4.519 4.350 0.000 0.000 0.204 518 E C 0.157 176.802 176.600 0.076 0.000 0.977 518 E CA 0.129 56.572 56.400 0.072 0.000 0.950 518 E CB 0.725 30.480 29.700 0.092 0.000 0.975 518 E HN 0.561 nan 8.360 nan 0.000 0.496 519 C N 0.426 119.736 119.300 0.016 0.000 2.985 519 C HA 0.684 5.145 4.460 0.000 0.000 0.314 519 C C -1.399 173.542 174.990 -0.083 0.000 1.215 519 C CA -0.577 58.381 59.018 -0.100 0.000 1.414 519 C CB 0.671 28.358 27.740 -0.088 0.000 1.842 519 C HN 0.130 nan 8.230 nan 0.000 0.477 520 M N 4.907 124.436 119.600 -0.118 0.000 2.267 520 M HA 0.520 5.000 4.480 0.000 0.000 0.289 520 M C -1.216 175.131 176.300 0.079 0.000 1.043 520 M CA -0.480 54.847 55.300 0.046 0.000 0.928 520 M CB 2.079 34.816 32.600 0.229 0.000 1.613 520 M HN 0.370 nan 8.290 nan 0.000 0.450 521 V N 1.544 121.468 119.914 0.016 0.000 2.448 521 V HA 0.766 4.886 4.120 0.000 0.000 0.295 521 V C -0.210 175.824 176.094 -0.100 0.000 1.025 521 V CA -0.385 61.904 62.300 -0.020 0.000 0.859 521 V CB 1.840 33.643 31.823 -0.033 0.000 0.988 521 V HN 0.943 nan 8.190 nan 0.000 0.431 522 T N 2.061 116.505 114.554 -0.183 0.000 2.812 522 T HA 0.355 4.705 4.350 0.000 0.000 0.294 522 T C -1.134 173.453 174.700 -0.189 0.000 1.159 522 T CA -0.601 61.336 62.100 -0.272 0.000 1.008 522 T CB 1.943 70.477 68.868 -0.557 0.000 1.289 522 T HN 0.678 nan 8.240 nan 0.000 0.514 523 D N 1.220 121.521 120.400 -0.165 0.000 2.360 523 D HA 0.246 4.886 4.640 0.000 0.000 0.242 523 D C -0.219 176.023 176.300 -0.097 0.000 1.184 523 D CA -0.253 53.686 54.000 -0.102 0.000 0.930 523 D CB 0.782 41.534 40.800 -0.079 0.000 1.161 523 D HN 0.192 nan 8.370 nan 0.000 0.447 524 L N 2.693 123.888 121.223 -0.047 0.000 2.349 524 L HA 0.215 4.555 4.340 0.000 0.000 0.275 524 L C -1.394 175.462 176.870 -0.023 0.000 1.115 524 L CA -1.093 53.734 54.840 -0.021 0.000 0.820 524 L CB -0.089 41.969 42.059 -0.001 0.000 1.135 524 L HN 0.278 nan 8.230 nan 0.000 0.445 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.094 63.100 -0.009 0.000 0.800 525 P CB 0.000 31.707 31.700 0.012 0.000 0.726