REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3e76_1_D DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 2.952 125.768 122.820 -0.006 0.000 2.477 3 A HA 0.579 4.899 4.320 -0.000 0.000 0.246 3 A C 0.261 177.840 177.584 -0.009 0.000 1.078 3 A CA 0.298 52.334 52.037 -0.002 0.000 0.770 3 A CB 0.138 19.139 19.000 0.002 0.000 1.011 3 A HN 0.621 nan 8.150 nan 0.000 0.494 4 K N 1.412 121.811 120.400 -0.003 0.000 2.267 4 K HA 0.437 4.757 4.320 -0.000 0.000 0.246 4 K C -1.427 175.180 176.600 0.011 0.000 0.954 4 K CA -0.711 55.569 56.287 -0.011 0.000 0.824 4 K CB 2.085 34.577 32.500 -0.014 0.000 1.167 4 K HN 0.756 nan 8.250 nan 0.000 0.431 5 D N 0.997 121.404 120.400 0.013 0.000 2.278 5 D HA 0.395 5.035 4.640 -0.000 0.000 0.245 5 D C -1.332 175.063 176.300 0.158 0.000 1.052 5 D CA -0.607 53.451 54.000 0.097 0.000 0.834 5 D CB 1.469 42.357 40.800 0.147 0.000 1.194 5 D HN 0.070 nan 8.370 nan 0.000 0.481 6 V N 4.177 124.160 119.914 0.115 0.000 2.531 6 V HA 0.440 4.560 4.120 -0.000 0.000 0.301 6 V C -0.042 175.933 176.094 -0.198 0.000 1.034 6 V CA -0.812 61.465 62.300 -0.038 0.000 0.865 6 V CB 1.776 33.499 31.823 -0.166 0.000 0.995 6 V HN 0.411 nan 8.190 nan 0.000 0.424 7 K N 3.767 123.971 120.400 -0.326 0.000 2.259 7 K HA 0.740 5.060 4.320 -0.000 0.000 0.252 7 K C -1.581 174.705 176.600 -0.522 0.000 0.936 7 K CA -0.494 55.526 56.287 -0.445 0.000 0.810 7 K CB 2.325 34.410 32.500 -0.691 0.000 1.143 7 K HN 0.446 nan 8.250 nan 0.000 0.427 8 F N 0.393 120.299 119.950 -0.073 0.000 2.522 8 F HA 0.421 4.948 4.527 -0.000 0.000 0.324 8 F C 1.207 176.978 175.800 -0.048 0.000 1.077 8 F CA 0.110 58.087 58.000 -0.039 0.000 0.944 8 F CB 1.784 40.771 39.000 -0.022 0.000 1.175 8 F HN 0.840 nan 8.300 nan 0.000 0.468 9 G N 2.518 111.423 108.800 0.174 0.000 2.611 9 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.301 9 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.301 9 G C 1.269 176.189 174.900 0.035 0.000 1.233 9 G CA 0.659 45.814 45.100 0.091 0.000 0.993 9 G HN 0.682 nan 8.290 nan 0.000 0.553 10 N N 0.767 119.481 118.700 0.023 0.000 2.104 10 N HA -0.142 4.598 4.740 -0.000 0.000 0.190 10 N C 1.868 177.366 175.510 -0.019 0.000 1.024 10 N CA 2.013 55.064 53.050 0.003 0.000 0.853 10 N CB -0.418 38.070 38.487 0.002 0.000 1.008 10 N HN 0.595 nan 8.380 nan 0.000 0.424 11 D N 0.343 120.726 120.400 -0.027 0.000 2.149 11 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 11 D C 1.541 177.760 176.300 -0.135 0.000 0.990 11 D CA 1.157 55.113 54.000 -0.073 0.000 0.839 11 D CB 0.095 40.853 40.800 -0.070 0.000 0.948 11 D HN 0.342 nan 8.370 nan 0.000 0.460 12 A N 0.527 123.273 122.820 -0.123 0.000 1.930 12 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 12 A C 2.318 179.856 177.584 -0.077 0.000 1.176 12 A CA 0.730 52.667 52.037 -0.165 0.000 0.632 12 A CB -0.254 18.674 19.000 -0.120 0.000 0.819 12 A HN 0.136 nan 8.150 nan 0.000 0.445 13 R N -0.221 120.257 120.500 -0.036 0.000 2.073 13 R HA -0.085 4.255 4.340 -0.000 0.000 0.229 13 R C 2.105 178.400 176.300 -0.009 0.000 1.120 13 R CA 1.483 57.578 56.100 -0.009 0.000 0.967 13 R CB -0.574 29.727 30.300 0.002 0.000 0.862 13 R HN 0.540 nan 8.270 nan 0.000 0.436 14 V N -0.303 119.598 119.914 -0.022 0.000 2.594 14 V HA -0.174 3.946 4.120 -0.000 0.000 0.253 14 V C 1.709 177.797 176.094 -0.011 0.000 1.069 14 V CA 1.509 63.800 62.300 -0.016 0.000 1.082 14 V CB -0.405 31.405 31.823 -0.022 0.000 0.680 14 V HN 0.118 nan 8.190 nan 0.000 0.469 15 K N -0.220 120.167 120.400 -0.022 0.000 2.167 15 K HA 0.147 4.467 4.320 -0.000 0.000 0.203 15 K C 2.096 178.724 176.600 0.048 0.000 1.052 15 K CA 1.467 57.760 56.287 0.011 0.000 0.956 15 K CB -0.259 32.236 32.500 -0.008 0.000 0.735 15 K HN 0.514 nan 8.250 nan 0.000 0.451 16 M N 0.307 119.932 119.600 0.041 0.000 2.123 16 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 16 M C 2.227 178.546 176.300 0.031 0.000 1.069 16 M CA 1.048 56.375 55.300 0.045 0.000 1.133 16 M CB -0.265 32.360 32.600 0.041 0.000 1.356 16 M HN 0.014 nan 8.290 nan 0.000 0.415 17 L N 0.539 121.775 121.223 0.021 0.000 2.012 17 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 17 L C 2.460 179.340 176.870 0.016 0.000 1.073 17 L CA 1.962 56.811 54.840 0.016 0.000 0.748 17 L CB -0.593 41.472 42.059 0.011 0.000 0.891 17 L HN 0.163 nan 8.230 nan 0.000 0.431 18 R N -0.361 120.149 120.500 0.017 0.000 2.105 18 R HA -0.121 4.219 4.340 -0.000 0.000 0.239 18 R C 2.132 178.445 176.300 0.022 0.000 1.135 18 R CA 1.732 57.843 56.100 0.017 0.000 0.967 18 R CB -1.065 29.245 30.300 0.017 0.000 0.861 18 R HN 0.523 nan 8.270 nan 0.000 0.442 19 G N -0.392 108.426 108.800 0.029 0.000 2.394 19 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 19 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 19 G C 1.410 176.323 174.900 0.022 0.000 1.165 19 G CA 0.878 45.996 45.100 0.030 0.000 0.784 19 G HN 0.336 nan 8.290 nan 0.000 0.535 20 V N -0.550 119.377 119.914 0.021 0.000 2.548 20 V HA -0.080 4.040 4.120 -0.000 0.000 0.249 20 V C 2.253 178.355 176.094 0.014 0.000 1.055 20 V CA 1.942 64.252 62.300 0.017 0.000 1.065 20 V CB -0.676 31.158 31.823 0.018 0.000 0.681 20 V HN 0.140 nan 8.190 nan 0.000 0.462 21 N N 0.989 119.697 118.700 0.013 0.000 2.223 21 N HA -0.084 4.656 4.740 -0.000 0.000 0.185 21 N C 1.712 177.227 175.510 0.009 0.000 1.016 21 N CA 1.612 54.669 53.050 0.010 0.000 0.863 21 N CB -0.515 37.977 38.487 0.010 0.000 0.983 21 N HN 0.507 nan 8.380 nan 0.000 0.429 22 V N 1.065 120.985 119.914 0.010 0.000 2.270 22 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 22 V C 2.366 178.464 176.094 0.006 0.000 1.043 22 V CA 1.069 63.374 62.300 0.008 0.000 1.014 22 V CB -0.550 31.279 31.823 0.010 0.000 0.645 22 V HN 0.226 nan 8.190 nan 0.000 0.447 23 L N 0.013 121.240 121.223 0.007 0.000 2.046 23 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 23 L C 2.502 179.374 176.870 0.004 0.000 1.077 23 L CA 1.898 56.741 54.840 0.004 0.000 0.747 23 L CB -0.502 41.560 42.059 0.005 0.000 0.896 23 L HN 0.310 nan 8.230 nan 0.000 0.432 24 A N -0.424 122.399 122.820 0.006 0.000 1.858 24 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 24 A C 1.871 179.457 177.584 0.004 0.000 1.190 24 A CA 2.008 54.048 52.037 0.005 0.000 0.617 24 A CB -0.825 18.179 19.000 0.008 0.000 0.827 24 A HN 0.491 nan 8.150 nan 0.000 0.443 25 D N -0.018 120.384 120.400 0.004 0.000 2.218 25 D HA 0.017 4.657 4.640 -0.000 0.000 0.204 25 D C 1.943 178.244 176.300 0.002 0.000 0.976 25 D CA 1.288 55.289 54.000 0.003 0.000 0.853 25 D CB -0.248 40.554 40.800 0.003 0.000 0.939 25 D HN 0.450 nan 8.370 nan 0.000 0.481 26 A N -0.160 122.660 122.820 0.002 0.000 2.067 26 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 26 A C 2.196 179.779 177.584 -0.001 0.000 1.156 26 A CA 0.578 52.615 52.037 0.000 0.000 0.683 26 A CB 0.102 19.102 19.000 0.000 0.000 0.808 26 A HN 0.156 nan 8.150 nan 0.000 0.455 27 V N 0.482 120.395 119.914 -0.001 0.000 2.788 27 V HA -0.108 4.012 4.120 -0.000 0.000 0.241 27 V C 2.284 178.377 176.094 -0.002 0.000 1.083 27 V CA 1.529 63.827 62.300 -0.003 0.000 1.103 27 V CB -0.272 31.549 31.823 -0.004 0.000 0.800 27 V HN 0.772 nan 8.190 nan 0.000 0.476 28 K N 1.884 122.284 120.400 0.000 0.000 2.360 28 K HA -0.113 4.207 4.320 -0.000 0.000 0.201 28 K C 1.677 178.277 176.600 0.000 0.000 1.046 28 K CA 1.811 58.098 56.287 0.001 0.000 0.945 28 K CB -0.608 31.893 32.500 0.002 0.000 0.750 28 K HN 0.495 nan 8.250 nan 0.000 0.464 29 V N -0.541 119.373 119.914 -0.000 0.000 3.217 29 V HA -0.064 4.055 4.120 -0.000 0.000 0.264 29 V C 1.810 177.903 176.094 -0.001 0.000 1.135 29 V CA 1.347 63.647 62.300 -0.000 0.000 1.142 29 V CB -0.788 31.035 31.823 -0.001 0.000 0.754 29 V HN 0.516 nan 8.190 nan 0.000 0.484 30 T N -2.235 112.318 114.554 -0.002 0.000 3.186 30 T HA 0.412 4.762 4.350 -0.000 0.000 0.257 30 T C 0.127 174.826 174.700 -0.003 0.000 1.029 30 T CA -0.299 61.799 62.100 -0.003 0.000 0.916 30 T CB -0.000 68.865 68.868 -0.005 0.000 1.041 30 T HN 0.289 nan 8.240 nan 0.000 0.562 31 L N 2.315 123.537 121.223 -0.001 0.000 2.371 31 L HA 0.669 5.009 4.340 -0.000 0.000 0.272 31 L C 0.875 177.746 176.870 0.003 0.000 1.124 31 L CA 1.520 56.361 54.840 0.001 0.000 0.816 31 L CB 0.144 42.205 42.059 0.003 0.000 1.129 31 L HN 0.658 nan 8.230 nan 0.000 0.448 32 G N 4.366 113.167 108.800 0.002 0.000 2.741 32 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.222 32 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.222 32 G C -2.169 172.729 174.900 -0.003 0.000 1.364 32 G CA -0.153 44.948 45.100 0.003 0.000 0.866 32 G HN 0.644 nan 8.290 nan 0.000 0.555 33 P HA 0.226 nan 4.420 nan 0.000 0.245 33 P C 0.919 178.214 177.300 -0.008 0.000 1.199 33 P CA 0.593 63.686 63.100 -0.012 0.000 0.807 33 P CB 0.337 32.023 31.700 -0.022 0.000 1.002 34 K N 0.842 121.241 120.400 -0.001 0.000 2.520 34 K HA 0.246 4.566 4.320 -0.000 0.000 0.205 34 K C 1.090 177.692 176.600 0.003 0.000 1.035 34 K CA -0.081 56.208 56.287 0.003 0.000 1.188 34 K CB -0.225 32.284 32.500 0.015 0.000 0.894 34 K HN 0.102 nan 8.250 nan 0.000 0.497 35 G N 1.215 110.015 108.800 0.000 0.000 2.594 35 G HA2 0.106 4.066 3.960 -0.000 0.000 0.243 35 G HA3 0.106 4.066 3.960 -0.000 0.000 0.243 35 G C 0.065 174.964 174.900 -0.001 0.000 1.229 35 G CA -0.440 44.660 45.100 -0.000 0.000 0.843 35 G HN 0.091 nan 8.290 nan 0.000 0.578 36 R N 0.443 120.942 120.500 -0.001 0.000 2.643 36 R HA 0.310 4.650 4.340 -0.000 0.000 0.272 36 R C -0.271 176.028 176.300 -0.002 0.000 0.995 36 R CA -1.020 55.079 56.100 -0.001 0.000 1.032 36 R CB 0.696 30.995 30.300 -0.001 0.000 1.126 36 R HN 0.483 nan 8.270 nan 0.000 0.505 37 N N 0.318 119.017 118.700 -0.002 0.000 2.529 37 N HA 0.197 4.937 4.740 -0.000 0.000 0.278 37 N C -0.739 174.769 175.510 -0.002 0.000 1.146 37 N CA -0.186 52.863 53.050 -0.003 0.000 0.980 37 N CB 1.509 39.995 38.487 -0.002 0.000 1.124 37 N HN 0.128 nan 8.380 nan 0.000 0.458 38 V N 2.446 122.359 119.914 -0.002 0.000 2.448 38 V HA 0.297 4.417 4.120 -0.000 0.000 0.295 38 V C 0.020 176.113 176.094 -0.001 0.000 1.025 38 V CA -0.817 61.482 62.300 -0.002 0.000 0.859 38 V CB 1.890 33.711 31.823 -0.002 0.000 0.988 38 V HN 0.283 nan 8.190 nan 0.000 0.431 39 V N 6.770 126.684 119.914 -0.000 0.000 2.383 39 V HA 0.458 4.578 4.120 -0.000 0.000 0.275 39 V C -0.140 175.955 176.094 0.002 0.000 1.036 39 V CA -0.420 61.881 62.300 0.001 0.000 0.889 39 V CB 1.310 33.134 31.823 0.001 0.000 0.985 39 V HN 0.614 nan 8.190 nan 0.000 0.459 40 L N 3.802 125.027 121.223 0.004 0.000 2.313 40 L HA 0.537 4.877 4.340 -0.000 0.000 0.283 40 L C -0.264 176.611 176.870 0.009 0.000 1.013 40 L CA -0.553 54.291 54.840 0.005 0.000 0.816 40 L CB 1.722 43.784 42.059 0.005 0.000 1.236 40 L HN 0.532 nan 8.230 nan 0.000 0.419 41 D N 2.978 123.383 120.400 0.009 0.000 2.302 41 D HA 0.298 4.938 4.640 -0.000 0.000 0.248 41 D C -0.660 175.651 176.300 0.019 0.000 1.094 41 D CA 0.109 54.115 54.000 0.011 0.000 0.897 41 D CB 0.985 41.787 40.800 0.004 0.000 1.200 41 D HN 0.337 nan 8.370 nan 0.000 0.429 42 K N 0.807 121.224 120.400 0.028 0.000 2.318 42 K HA 0.251 4.571 4.320 -0.000 0.000 0.249 42 K C 0.976 177.600 176.600 0.040 0.000 0.942 42 K CA -0.625 55.692 56.287 0.050 0.000 0.808 42 K CB 1.800 34.345 32.500 0.075 0.000 1.189 42 K HN 0.438 nan 8.250 nan 0.000 0.428 43 S N 1.302 117.028 115.700 0.044 0.000 2.368 43 S HA -0.063 4.407 4.470 -0.000 0.000 0.225 43 S C 0.595 175.119 174.600 -0.126 0.000 1.030 43 S CA 0.776 58.943 58.200 -0.054 0.000 0.999 43 S CB -0.277 62.871 63.200 -0.086 0.000 0.844 43 S HN 0.415 nan 8.310 nan 0.000 0.459 44 F N 3.361 123.309 119.950 -0.002 0.000 2.404 44 F HA 0.564 5.091 4.527 -0.000 0.000 0.359 44 F C 1.596 177.395 175.800 -0.002 0.000 1.134 44 F CA 0.471 58.470 58.000 -0.002 0.000 1.160 44 F CB 0.467 39.466 39.000 -0.001 0.000 1.186 44 F HN 0.538 nan 8.300 nan 0.000 0.526 45 G N 2.315 111.182 108.800 0.111 0.000 2.550 45 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.277 45 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.277 45 G C -0.007 174.923 174.900 0.049 0.000 1.190 45 G CA -0.457 44.690 45.100 0.078 0.000 0.971 45 G HN 1.034 nan 8.290 nan 0.000 0.559 46 A N 1.697 124.544 122.820 0.046 0.000 2.425 46 A HA 0.655 4.975 4.320 -0.000 0.000 0.249 46 A C -1.307 176.295 177.584 0.029 0.000 1.084 46 A CA 0.234 52.289 52.037 0.029 0.000 0.781 46 A CB -0.165 18.849 19.000 0.024 0.000 1.019 46 A HN 0.713 nan 8.150 nan 0.000 0.490 47 P HA 0.342 nan 4.420 nan 0.000 0.274 47 P C -0.475 176.834 177.300 0.015 0.000 1.237 47 P CA -0.159 62.951 63.100 0.017 0.000 0.793 47 P CB 0.571 32.277 31.700 0.010 0.000 0.977 48 T N 1.994 116.556 114.554 0.013 0.000 2.744 48 T HA 0.467 4.817 4.350 -0.000 0.000 0.291 48 T C 0.324 175.027 174.700 0.005 0.000 0.957 48 T CA -0.237 61.869 62.100 0.009 0.000 1.002 48 T CB -0.185 68.688 68.868 0.009 0.000 0.919 48 T HN 0.172 nan 8.240 nan 0.000 0.468 49 I N 3.041 123.613 120.570 0.003 0.000 2.312 49 I HA 0.496 4.666 4.170 -0.000 0.000 0.290 49 I C 0.585 176.701 176.117 -0.001 0.000 1.008 49 I CA -0.346 60.955 61.300 0.001 0.000 1.226 49 I CB 1.350 39.351 38.000 0.001 0.000 1.371 49 I HN 0.507 nan 8.210 nan 0.000 0.468 50 T N 4.108 118.661 114.554 -0.003 0.000 2.843 50 T HA 0.401 4.751 4.350 -0.000 0.000 0.302 50 T C 0.226 174.922 174.700 -0.006 0.000 1.232 50 T CA -0.579 61.518 62.100 -0.005 0.000 1.009 50 T CB 1.820 70.684 68.868 -0.007 0.000 1.254 50 T HN 0.651 nan 8.240 nan 0.000 0.504 51 K N 0.621 121.016 120.400 -0.008 0.000 2.373 51 K HA 0.173 4.493 4.320 -0.000 0.000 0.200 51 K C -0.313 176.280 176.600 -0.012 0.000 1.054 51 K CA -0.190 56.092 56.287 -0.009 0.000 1.065 51 K CB 0.379 32.874 32.500 -0.009 0.000 0.886 51 K HN 0.495 nan 8.250 nan 0.000 0.546 52 D N 0.799 121.190 120.400 -0.014 0.000 2.368 52 D HA -0.003 4.637 4.640 -0.000 0.000 0.268 52 D C 1.226 177.515 176.300 -0.019 0.000 1.298 52 D CA 0.153 54.141 54.000 -0.019 0.000 0.938 52 D CB 0.978 41.765 40.800 -0.022 0.000 1.101 52 D HN 0.236 nan 8.370 nan 0.000 0.509 53 G N 2.571 111.360 108.800 -0.019 0.000 2.479 53 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.220 53 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.220 53 G C 1.421 176.307 174.900 -0.022 0.000 1.115 53 G CA 0.822 45.912 45.100 -0.018 0.000 0.757 53 G HN 0.487 nan 8.290 nan 0.000 0.560 54 V N 0.695 120.592 119.914 -0.028 0.000 2.346 54 V HA -0.119 4.001 4.120 -0.000 0.000 0.244 54 V C 2.954 179.032 176.094 -0.026 0.000 1.037 54 V CA 2.002 64.283 62.300 -0.032 0.000 1.029 54 V CB -0.699 31.098 31.823 -0.042 0.000 0.663 54 V HN 0.316 nan 8.190 nan 0.000 0.454 55 S N 0.306 115.992 115.700 -0.023 0.000 2.382 55 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 55 S C 2.018 176.610 174.600 -0.014 0.000 1.027 55 S CA 1.472 59.661 58.200 -0.018 0.000 0.991 55 S CB -0.196 62.994 63.200 -0.016 0.000 0.823 55 S HN 0.390 nan 8.310 nan 0.000 0.469 56 V N 1.836 121.742 119.914 -0.013 0.000 2.323 56 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 56 V C 2.648 178.736 176.094 -0.009 0.000 1.041 56 V CA 1.578 63.872 62.300 -0.009 0.000 1.025 56 V CB -1.224 30.594 31.823 -0.008 0.000 0.656 56 V HN 0.523 nan 8.190 nan 0.000 0.451 57 A N -0.001 122.811 122.820 -0.013 0.000 1.883 57 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 57 A C 2.377 179.953 177.584 -0.013 0.000 1.186 57 A CA 1.827 53.857 52.037 -0.013 0.000 0.624 57 A CB -0.572 18.418 19.000 -0.017 0.000 0.822 57 A HN 0.455 nan 8.150 nan 0.000 0.444 58 R N -0.585 119.905 120.500 -0.016 0.000 2.139 58 R HA -0.136 4.204 4.340 -0.000 0.000 0.243 58 R C 1.742 178.036 176.300 -0.010 0.000 1.145 58 R CA 1.418 57.508 56.100 -0.016 0.000 0.976 58 R CB -0.226 30.062 30.300 -0.020 0.000 0.866 58 R HN 0.520 nan 8.270 nan 0.000 0.449 59 E N 0.218 120.414 120.200 -0.007 0.000 2.285 59 E HA -0.005 4.344 4.350 -0.000 0.000 0.194 59 E C 0.599 177.198 176.600 -0.002 0.000 0.997 59 E CA 0.283 56.681 56.400 -0.003 0.000 0.845 59 E CB 0.141 29.841 29.700 -0.001 0.000 0.782 59 E HN 0.165 nan 8.360 nan 0.000 0.491 60 I N 1.986 122.554 120.570 -0.003 0.000 2.533 60 I HA 0.076 4.245 4.170 -0.000 0.000 0.284 60 I C 0.408 176.524 176.117 -0.002 0.000 1.109 60 I CA 0.448 61.748 61.300 -0.001 0.000 1.412 60 I CB 0.079 38.079 38.000 -0.001 0.000 1.396 60 I HN -0.012 nan 8.210 nan 0.000 0.543 61 E N 6.973 127.173 120.200 -0.001 0.000 2.428 61 E HA 0.364 4.714 4.350 -0.000 0.000 0.307 61 E C -1.674 174.925 176.600 -0.001 0.000 0.902 61 E CA -0.510 55.889 56.400 -0.002 0.000 0.799 61 E CB 1.395 31.092 29.700 -0.004 0.000 1.351 61 E HN 0.458 nan 8.360 nan 0.000 0.392 62 L N 3.173 124.396 121.223 0.000 0.000 2.439 62 L HA 0.319 4.659 4.340 -0.000 0.000 0.259 62 L C 1.711 178.582 176.870 0.001 0.000 1.129 62 L CA -0.096 54.746 54.840 0.004 0.000 0.803 62 L CB 0.918 42.984 42.059 0.012 0.000 1.161 62 L HN 0.728 nan 8.230 nan 0.000 0.462 63 E N 0.524 120.727 120.200 0.005 0.000 2.021 63 E HA -0.161 4.189 4.350 -0.000 0.000 0.189 63 E C 0.132 176.736 176.600 0.006 0.000 0.980 63 E CA 0.481 56.883 56.400 0.004 0.000 0.803 63 E CB 0.195 29.899 29.700 0.007 0.000 0.766 63 E HN 0.707 nan 8.360 nan 0.000 0.449 64 D N 0.717 121.131 120.400 0.024 0.000 2.389 64 D HA -0.062 4.578 4.640 -0.000 0.000 0.263 64 D C 0.951 177.270 176.300 0.032 0.000 1.255 64 D CA 0.059 54.090 54.000 0.050 0.000 0.914 64 D CB 0.694 41.544 40.800 0.082 0.000 1.116 64 D HN -0.054 nan 8.370 nan 0.000 0.502 65 K N 3.269 123.653 120.400 -0.026 0.000 2.074 65 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 65 K C 1.629 178.119 176.600 -0.183 0.000 1.048 65 K CA 1.292 57.487 56.287 -0.152 0.000 0.926 65 K CB -0.320 32.012 32.500 -0.281 0.000 0.713 65 K HN 0.552 nan 8.250 nan 0.000 0.444 66 F N 1.480 121.418 119.950 -0.020 0.000 2.113 66 F HA -0.102 4.425 4.527 0.000 0.000 0.297 66 F C 2.420 178.211 175.800 -0.016 0.000 1.103 66 F CA 1.151 59.138 58.000 -0.023 0.000 1.248 66 F CB -0.412 38.572 39.000 -0.027 0.000 0.999 66 F HN 0.130 nan 8.300 nan 0.000 0.475 67 E N 0.005 120.310 120.200 0.175 0.000 2.085 67 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 67 E C 1.906 178.537 176.600 0.051 0.000 0.994 67 E CA 1.401 57.856 56.400 0.092 0.000 0.801 67 E CB -0.398 29.343 29.700 0.068 0.000 0.743 67 E HN 0.304 nan 8.360 nan 0.000 0.453 68 N N 0.786 119.503 118.700 0.027 0.000 2.094 68 N HA -0.195 4.544 4.740 -0.000 0.000 0.191 68 N C 1.748 177.257 175.510 -0.000 0.000 1.023 68 N CA 1.546 54.597 53.050 0.002 0.000 0.857 68 N CB -0.067 38.407 38.487 -0.022 0.000 1.013 68 N HN 0.084 nan 8.380 nan 0.000 0.426 69 M N -0.529 119.069 119.600 -0.005 0.000 2.065 69 M HA -0.069 4.411 4.480 -0.000 0.000 0.259 69 M C 2.234 178.546 176.300 0.021 0.000 1.069 69 M CA 1.881 57.180 55.300 -0.002 0.000 1.110 69 M CB -0.833 31.763 32.600 -0.005 0.000 1.328 69 M HN 0.348 nan 8.290 nan 0.000 0.405 70 G N 0.002 108.826 108.800 0.040 0.000 2.514 70 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 70 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 70 G C 1.609 176.524 174.900 0.025 0.000 1.198 70 G CA 1.342 46.464 45.100 0.037 0.000 0.780 70 G HN 0.566 nan 8.290 nan 0.000 0.565 71 A N -0.348 122.485 122.820 0.021 0.000 1.892 71 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 71 A C 2.364 179.954 177.584 0.009 0.000 1.188 71 A CA 2.132 54.177 52.037 0.014 0.000 0.631 71 A CB -0.432 18.575 19.000 0.011 0.000 0.822 71 A HN 0.357 nan 8.150 nan 0.000 0.447 72 Q N -1.125 118.678 119.800 0.006 0.000 2.364 72 Q HA -0.016 4.324 4.340 -0.000 0.000 0.207 72 Q C 2.039 178.042 176.000 0.005 0.000 0.970 72 Q CA 0.987 56.791 55.803 0.001 0.000 0.888 72 Q CB -0.272 28.464 28.738 -0.004 0.000 0.951 72 Q HN 0.789 nan 8.270 nan 0.000 0.469 73 M N -0.243 119.364 119.600 0.012 0.000 2.123 73 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 73 M C 2.167 178.479 176.300 0.019 0.000 1.069 73 M CA 1.291 56.602 55.300 0.017 0.000 1.133 73 M CB -0.116 32.497 32.600 0.023 0.000 1.356 73 M HN 0.118 nan 8.290 nan 0.000 0.415 74 V N -2.253 117.672 119.914 0.018 0.000 2.809 74 V HA -0.134 3.986 4.120 -0.000 0.000 0.256 74 V C 1.943 178.041 176.094 0.008 0.000 1.080 74 V CA 1.446 63.757 62.300 0.018 0.000 1.102 74 V CB -0.965 30.869 31.823 0.018 0.000 0.705 74 V HN 0.416 nan 8.190 nan 0.000 0.475 75 K N 0.075 120.477 120.400 0.002 0.000 2.097 75 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 75 K C 2.263 178.854 176.600 -0.016 0.000 1.050 75 K CA 1.399 57.681 56.287 -0.008 0.000 0.938 75 K CB -0.118 32.377 32.500 -0.008 0.000 0.718 75 K HN 0.463 nan 8.250 nan 0.000 0.442 76 E N 0.443 120.639 120.200 -0.007 0.000 2.333 76 E HA -0.130 4.220 4.350 -0.000 0.000 0.198 76 E C 1.739 178.324 176.600 -0.025 0.000 1.007 76 E CA 0.842 57.236 56.400 -0.010 0.000 0.845 76 E CB 0.250 29.956 29.700 0.010 0.000 0.766 76 E HN 0.166 nan 8.360 nan 0.000 0.507 77 V N 0.300 120.203 119.914 -0.018 0.000 2.374 77 V HA -0.045 4.075 4.120 -0.000 0.000 0.241 77 V C 2.482 178.509 176.094 -0.110 0.000 1.034 77 V CA 1.215 63.496 62.300 -0.031 0.000 1.037 77 V CB -1.016 30.832 31.823 0.042 0.000 0.682 77 V HN 0.169 nan 8.190 nan 0.000 0.463 78 A N 1.762 124.544 122.820 -0.064 0.000 1.903 78 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 78 A C 2.552 180.072 177.584 -0.107 0.000 1.191 78 A CA 3.113 55.107 52.037 -0.072 0.000 0.638 78 A CB -1.078 17.897 19.000 -0.041 0.000 0.823 78 A HN 0.734 nan 8.150 nan 0.000 0.451 79 S N -0.714 114.927 115.700 -0.098 0.000 2.402 79 S HA -0.111 4.359 4.470 -0.000 0.000 0.229 79 S C 1.808 176.314 174.600 -0.158 0.000 1.021 79 S CA 1.439 59.578 58.200 -0.102 0.000 0.974 79 S CB -0.261 62.898 63.200 -0.067 0.000 0.800 79 S HN 0.618 nan 8.310 nan 0.000 0.484 80 K N 1.082 121.337 120.400 -0.243 0.000 2.186 80 K HA 0.265 4.585 4.320 -0.000 0.000 0.202 80 K C 2.481 178.696 176.600 -0.641 0.000 1.052 80 K CA 0.757 56.796 56.287 -0.414 0.000 0.965 80 K CB -0.361 31.857 32.500 -0.470 0.000 0.746 80 K HN 0.469 nan 8.250 nan 0.000 0.457 81 A N 1.772 124.251 122.820 -0.568 0.000 1.933 81 A HA -0.223 4.096 4.320 -0.000 0.000 0.218 81 A C 1.867 179.337 177.584 -0.190 0.000 1.175 81 A CA 1.876 53.689 52.037 -0.372 0.000 0.628 81 A CB -0.633 18.257 19.000 -0.184 0.000 0.814 81 A HN 0.292 nan 8.150 nan 0.000 0.444 82 N N 0.207 118.810 118.700 -0.162 0.000 2.223 82 N HA -0.145 4.595 4.740 -0.000 0.000 0.185 82 N C 1.035 176.487 175.510 -0.096 0.000 1.016 82 N CA 1.724 54.707 53.050 -0.111 0.000 0.863 82 N CB -0.208 38.219 38.487 -0.100 0.000 0.983 82 N HN 0.413 nan 8.380 nan 0.000 0.429 83 D N -0.612 119.716 120.400 -0.119 0.000 2.224 83 D HA 0.007 4.647 4.640 -0.000 0.000 0.205 83 D C 1.617 177.896 176.300 -0.035 0.000 0.965 83 D CA 0.947 54.900 54.000 -0.078 0.000 0.852 83 D CB -0.224 40.521 40.800 -0.092 0.000 0.947 83 D HN 0.418 nan 8.370 nan 0.000 0.494 84 A N 0.401 123.192 122.820 -0.047 0.000 1.903 84 A HA 0.296 4.616 4.320 -0.000 0.000 0.213 84 A C 2.033 179.650 177.584 0.054 0.000 1.185 84 A CA 1.750 53.807 52.037 0.034 0.000 0.628 84 A CB 0.024 19.086 19.000 0.103 0.000 0.830 84 A HN 0.233 nan 8.150 nan 0.000 0.446 85 A N -3.586 119.257 122.820 0.038 0.000 1.975 85 A HA 0.477 4.797 4.320 -0.000 0.000 0.197 85 A C 1.807 179.436 177.584 0.075 0.000 1.537 85 A CA 1.109 53.188 52.037 0.070 0.000 0.972 85 A CB -0.172 18.860 19.000 0.053 0.000 1.019 85 A HN 1.848 nan 8.150 nan 0.000 0.488 86 G N -0.655 108.135 108.800 -0.017 0.000 2.213 86 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.226 86 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.226 86 G C -0.093 174.755 174.900 -0.087 0.000 0.992 86 G CA 0.576 45.608 45.100 -0.114 0.000 0.632 86 G HN 0.814 nan 8.290 nan 0.000 0.511 87 D N -1.166 119.213 120.400 -0.035 0.000 2.423 87 D HA 0.592 5.232 4.640 -0.000 0.000 0.235 87 D C 1.049 177.340 176.300 -0.016 0.000 1.011 87 D CA 0.773 54.759 54.000 -0.023 0.000 0.963 87 D CB 0.996 41.796 40.800 -0.001 0.000 1.349 87 D HN 1.350 nan 8.370 nan 0.000 0.508 88 G N 0.566 109.358 108.800 -0.012 0.000 2.160 88 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 88 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 88 G C 0.923 175.817 174.900 -0.010 0.000 1.022 88 G CA 1.124 46.223 45.100 -0.003 0.000 0.741 88 G HN 0.727 nan 8.290 nan 0.000 0.508 89 T N -3.443 111.096 114.554 -0.025 0.000 2.857 89 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 89 T C 2.267 176.956 174.700 -0.019 0.000 1.048 89 T CA 2.320 64.400 62.100 -0.033 0.000 1.139 89 T CB -0.397 68.445 68.868 -0.045 0.000 0.874 89 T HN 0.308 nan 8.240 nan 0.000 0.455 90 T N 2.336 116.882 114.554 -0.014 0.000 2.812 90 T HA -0.058 4.292 4.350 -0.000 0.000 0.264 90 T C 2.236 176.936 174.700 0.001 0.000 1.042 90 T CA 1.729 63.825 62.100 -0.007 0.000 1.140 90 T CB -0.851 68.013 68.868 -0.007 0.000 0.870 90 T HN 0.563 nan 8.240 nan 0.000 0.445 91 T N 2.056 116.613 114.554 0.004 0.000 2.867 91 T HA 0.060 4.410 4.350 -0.000 0.000 0.268 91 T C 2.424 177.135 174.700 0.018 0.000 1.057 91 T CA 0.919 63.026 62.100 0.012 0.000 1.136 91 T CB -0.474 68.403 68.868 0.015 0.000 0.874 91 T HN 0.423 nan 8.240 nan 0.000 0.466 92 A N 1.853 124.684 122.820 0.018 0.000 1.877 92 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 92 A C 2.588 180.187 177.584 0.025 0.000 1.186 92 A CA 1.937 53.991 52.037 0.030 0.000 0.620 92 A CB -1.301 17.713 19.000 0.024 0.000 0.822 92 A HN 0.458 nan 8.150 nan 0.000 0.443 93 T N 0.093 114.655 114.554 0.013 0.000 2.821 93 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 93 T C 1.951 176.659 174.700 0.013 0.000 1.046 93 T CA 1.743 63.850 62.100 0.011 0.000 1.139 93 T CB -0.635 68.235 68.868 0.003 0.000 0.871 93 T HN 0.601 nan 8.240 nan 0.000 0.454 94 V N -0.113 119.808 119.914 0.012 0.000 2.626 94 V HA 0.015 4.135 4.120 -0.000 0.000 0.252 94 V C 2.199 178.302 176.094 0.015 0.000 1.067 94 V CA 1.236 63.544 62.300 0.012 0.000 1.081 94 V CB -1.058 30.771 31.823 0.010 0.000 0.686 94 V HN 0.385 nan 8.190 nan 0.000 0.468 95 L N 0.627 121.862 121.223 0.020 0.000 2.023 95 L HA 0.056 4.396 4.340 -0.000 0.000 0.205 95 L C 3.075 179.959 176.870 0.024 0.000 1.073 95 L CA 1.594 56.448 54.840 0.023 0.000 0.745 95 L CB -0.900 41.176 42.059 0.030 0.000 0.900 95 L HN 0.378 nan 8.230 nan 0.000 0.435 96 A N -0.522 122.315 122.820 0.028 0.000 1.892 96 A HA -0.337 3.983 4.320 -0.000 0.000 0.218 96 A C 2.250 179.848 177.584 0.022 0.000 1.188 96 A CA 2.229 54.284 52.037 0.029 0.000 0.631 96 A CB -0.762 18.258 19.000 0.033 0.000 0.822 96 A HN 0.526 nan 8.150 nan 0.000 0.447 97 Q N -0.767 119.044 119.800 0.019 0.000 2.061 97 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 97 Q C 2.221 178.229 176.000 0.014 0.000 0.984 97 Q CA 1.738 57.550 55.803 0.015 0.000 0.846 97 Q CB -0.335 28.410 28.738 0.012 0.000 0.902 97 Q HN 0.625 nan 8.270 nan 0.000 0.421 98 A N 0.385 123.213 122.820 0.014 0.000 2.015 98 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 98 A C 1.892 179.484 177.584 0.013 0.000 1.163 98 A CA 1.086 53.131 52.037 0.012 0.000 0.646 98 A CB -0.461 18.546 19.000 0.012 0.000 0.806 98 A HN 0.466 nan 8.150 nan 0.000 0.448 99 I N -0.770 119.809 120.570 0.015 0.000 2.333 99 I HA -0.156 4.014 4.170 -0.000 0.000 0.246 99 I C 2.214 178.340 176.117 0.015 0.000 1.106 99 I CA 0.943 62.252 61.300 0.015 0.000 1.411 99 I CB -0.314 37.696 38.000 0.017 0.000 1.082 99 I HN 0.233 nan 8.210 nan 0.000 0.420 100 I N 0.666 121.246 120.570 0.016 0.000 2.202 100 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 100 I C 2.595 178.720 176.117 0.013 0.000 1.091 100 I CA 1.632 62.941 61.300 0.016 0.000 1.368 100 I CB -0.600 37.410 38.000 0.018 0.000 1.058 100 I HN 0.232 nan 8.210 nan 0.000 0.410 101 T N 0.085 114.646 114.554 0.012 0.000 2.684 101 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 101 T C 1.778 176.483 174.700 0.009 0.000 1.036 101 T CA 1.246 63.352 62.100 0.010 0.000 1.148 101 T CB -0.218 68.655 68.868 0.009 0.000 0.863 101 T HN 0.272 nan 8.240 nan 0.000 0.436 102 E N 0.720 120.926 120.200 0.009 0.000 2.158 102 E HA 0.047 4.397 4.350 -0.000 0.000 0.191 102 E C 2.523 179.128 176.600 0.008 0.000 0.982 102 E CA 0.798 57.202 56.400 0.008 0.000 0.823 102 E CB -0.724 28.980 29.700 0.008 0.000 0.766 102 E HN 0.576 nan 8.360 nan 0.000 0.468 103 G N 1.532 110.338 108.800 0.010 0.000 2.434 103 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.214 103 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.214 103 G C 1.714 176.620 174.900 0.010 0.000 1.202 103 G CA 0.459 45.565 45.100 0.010 0.000 0.788 103 G HN 0.178 nan 8.290 nan 0.000 0.539 104 L N 0.068 121.297 121.223 0.010 0.000 2.127 104 L HA -0.090 4.249 4.340 -0.000 0.000 0.211 104 L C 2.920 179.794 176.870 0.007 0.000 1.089 104 L CA 1.145 55.990 54.840 0.009 0.000 0.757 104 L CB -0.343 41.722 42.059 0.010 0.000 0.899 104 L HN 0.204 nan 8.230 nan 0.000 0.434 105 K N 0.069 120.473 120.400 0.007 0.000 2.063 105 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 105 K C 2.206 178.809 176.600 0.005 0.000 1.048 105 K CA 1.539 57.829 56.287 0.005 0.000 0.928 105 K CB -0.180 32.323 32.500 0.005 0.000 0.713 105 K HN 0.330 nan 8.250 nan 0.000 0.442 106 A N 0.585 123.409 122.820 0.006 0.000 1.929 106 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 106 A C 2.253 179.841 177.584 0.006 0.000 1.176 106 A CA 1.172 53.213 52.037 0.006 0.000 0.628 106 A CB -0.387 18.617 19.000 0.006 0.000 0.816 106 A HN 0.085 nan 8.150 nan 0.000 0.444 107 V N -0.078 119.840 119.914 0.007 0.000 2.358 107 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 107 V C 2.956 179.054 176.094 0.007 0.000 1.047 107 V CA 1.836 64.141 62.300 0.008 0.000 1.035 107 V CB -1.332 30.497 31.823 0.011 0.000 0.658 107 V HN 0.562 nan 8.190 nan 0.000 0.452 108 A N 0.045 122.869 122.820 0.006 0.000 2.015 108 A HA 0.059 4.379 4.320 -0.000 0.000 0.219 108 A C 2.341 179.927 177.584 0.003 0.000 1.163 108 A CA 1.613 53.653 52.037 0.004 0.000 0.646 108 A CB -0.563 18.439 19.000 0.003 0.000 0.806 108 A HN 0.565 nan 8.150 nan 0.000 0.448 109 A N -1.433 121.389 122.820 0.003 0.000 2.066 109 A HA 0.376 4.695 4.320 -0.000 0.000 0.218 109 A C 1.625 179.211 177.584 0.003 0.000 1.157 109 A CA 1.441 53.480 52.037 0.003 0.000 0.670 109 A CB -0.665 18.337 19.000 0.003 0.000 0.804 109 A HN 1.880 nan 8.150 nan 0.000 0.453 110 G N -1.598 107.204 108.800 0.003 0.000 2.468 110 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.143 110 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.143 110 G C -0.269 174.633 174.900 0.004 0.000 1.065 110 G CA -0.024 45.078 45.100 0.003 0.000 0.776 110 G HN 0.285 nan 8.290 nan 0.000 0.486 111 M N -0.066 119.537 119.600 0.005 0.000 2.598 111 M HA 0.354 4.833 4.480 -0.000 0.000 0.317 111 M C 0.410 176.714 176.300 0.006 0.000 1.179 111 M CA -0.764 54.538 55.300 0.005 0.000 0.936 111 M CB 1.787 34.390 32.600 0.005 0.000 1.713 111 M HN 0.218 nan 8.290 nan 0.000 0.460 112 N N 1.939 120.643 118.700 0.006 0.000 2.431 112 N HA 0.105 4.844 4.740 -0.000 0.000 0.265 112 N C -1.992 173.523 175.510 0.008 0.000 1.184 112 N CA -1.333 51.721 53.050 0.007 0.000 0.943 112 N CB 0.973 39.463 38.487 0.006 0.000 1.080 112 N HN 0.275 nan 8.380 nan 0.000 0.477 113 P HA -0.181 nan 4.420 nan 0.000 0.215 113 P C 1.382 178.688 177.300 0.010 0.000 1.153 113 P CA 1.068 64.174 63.100 0.012 0.000 0.853 113 P CB 0.200 31.909 31.700 0.015 0.000 0.788 114 M N -0.685 118.921 119.600 0.010 0.000 2.213 114 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 114 M C 1.125 177.429 176.300 0.006 0.000 1.062 114 M CA 1.665 56.970 55.300 0.008 0.000 1.105 114 M CB -1.352 31.253 32.600 0.008 0.000 1.385 114 M HN -0.051 nan 8.290 nan 0.000 0.417 115 D N -0.049 120.355 120.400 0.006 0.000 2.194 115 D HA -0.002 4.638 4.640 -0.000 0.000 0.204 115 D C 2.178 178.481 176.300 0.005 0.000 0.964 115 D CA 0.759 54.761 54.000 0.005 0.000 0.846 115 D CB -0.029 40.773 40.800 0.004 0.000 0.962 115 D HN 0.318 nan 8.370 nan 0.000 0.490 116 L N 0.619 121.845 121.223 0.006 0.000 2.109 116 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 116 L C 2.460 179.334 176.870 0.006 0.000 1.086 116 L CA 0.916 55.760 54.840 0.006 0.000 0.760 116 L CB -0.180 41.884 42.059 0.008 0.000 0.910 116 L HN -0.046 nan 8.230 nan 0.000 0.437 117 K N 0.529 120.933 120.400 0.006 0.000 2.026 117 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 117 K C 2.277 178.878 176.600 0.003 0.000 1.048 117 K CA 1.337 57.627 56.287 0.005 0.000 0.929 117 K CB 0.025 32.529 32.500 0.006 0.000 0.713 117 K HN 0.183 nan 8.250 nan 0.000 0.439 118 R N -0.371 120.131 120.500 0.002 0.000 2.120 118 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 118 R C 2.430 178.730 176.300 0.000 0.000 1.123 118 R CA 1.235 57.336 56.100 0.000 0.000 0.975 118 R CB -0.421 29.879 30.300 0.001 0.000 0.866 118 R HN 0.382 nan 8.270 nan 0.000 0.446 119 G N 1.106 109.908 108.800 0.002 0.000 2.418 119 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 119 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 119 G C 1.428 176.329 174.900 0.002 0.000 1.158 119 G CA 0.554 45.655 45.100 0.002 0.000 0.771 119 G HN 0.149 nan 8.290 nan 0.000 0.545 120 I N 0.868 121.439 120.570 0.003 0.000 2.142 120 I HA -0.122 4.048 4.170 -0.000 0.000 0.240 120 I C 2.300 178.416 176.117 -0.001 0.000 1.078 120 I CA 1.240 62.541 61.300 0.003 0.000 1.343 120 I CB -0.160 37.843 38.000 0.005 0.000 1.046 120 I HN 0.031 nan 8.210 nan 0.000 0.405 121 D N 0.701 121.099 120.400 -0.003 0.000 2.178 121 D HA -0.199 4.441 4.640 -0.000 0.000 0.201 121 D C 2.082 178.377 176.300 -0.008 0.000 0.980 121 D CA 1.134 55.129 54.000 -0.009 0.000 0.842 121 D CB -0.147 40.647 40.800 -0.011 0.000 0.948 121 D HN 0.285 nan 8.370 nan 0.000 0.472 122 K N 0.557 120.954 120.400 -0.005 0.000 2.062 122 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 122 K C 2.002 178.601 176.600 -0.002 0.000 1.051 122 K CA 0.948 57.233 56.287 -0.003 0.000 0.941 122 K CB 0.059 32.558 32.500 -0.002 0.000 0.719 122 K HN -0.022 nan 8.250 nan 0.000 0.440 123 A N 0.603 123.423 122.820 -0.000 0.000 1.933 123 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 123 A C 2.165 179.749 177.584 0.001 0.000 1.175 123 A CA 1.395 53.433 52.037 0.002 0.000 0.628 123 A CB -0.444 18.558 19.000 0.004 0.000 0.814 123 A HN 0.165 nan 8.150 nan 0.000 0.444 124 V N -0.421 119.492 119.914 -0.002 0.000 2.323 124 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 124 V C 2.719 178.809 176.094 -0.007 0.000 1.041 124 V CA 2.368 64.665 62.300 -0.004 0.000 1.025 124 V CB -1.151 30.667 31.823 -0.009 0.000 0.656 124 V HN 0.601 nan 8.190 nan 0.000 0.451 125 T N 0.591 115.139 114.554 -0.010 0.000 2.803 125 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 125 T C 1.940 176.638 174.700 -0.005 0.000 1.052 125 T CA 1.568 63.662 62.100 -0.010 0.000 1.136 125 T CB -0.360 68.502 68.868 -0.011 0.000 0.864 125 T HN 0.552 nan 8.240 nan 0.000 0.467 126 A N 1.020 123.839 122.820 -0.002 0.000 1.970 126 A HA 0.423 4.743 4.320 -0.000 0.000 0.216 126 A C 2.582 180.168 177.584 0.004 0.000 1.170 126 A CA 1.290 53.328 52.037 0.002 0.000 0.645 126 A CB -0.781 18.221 19.000 0.003 0.000 0.816 126 A HN 0.489 nan 8.150 nan 0.000 0.447 127 A N -0.494 122.329 122.820 0.004 0.000 1.929 127 A HA 0.082 4.402 4.320 -0.000 0.000 0.216 127 A C 2.130 179.719 177.584 0.008 0.000 1.176 127 A CA 1.529 53.571 52.037 0.008 0.000 0.628 127 A CB -0.718 18.287 19.000 0.009 0.000 0.816 127 A HN 0.323 nan 8.150 nan 0.000 0.444 128 V N -0.050 119.866 119.914 0.004 0.000 2.427 128 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 128 V C 2.558 178.655 176.094 0.005 0.000 1.051 128 V CA 2.294 64.596 62.300 0.004 0.000 1.048 128 V CB -0.590 31.231 31.823 -0.003 0.000 0.666 128 V HN 0.594 nan 8.190 nan 0.000 0.456 129 E N 0.339 120.541 120.200 0.004 0.000 2.106 129 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 129 E C 2.123 178.727 176.600 0.007 0.000 0.984 129 E CA 1.202 57.605 56.400 0.005 0.000 0.806 129 E CB -0.157 29.545 29.700 0.003 0.000 0.750 129 E HN 0.602 nan 8.360 nan 0.000 0.458 130 E N -0.626 119.580 120.200 0.009 0.000 2.152 130 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 130 E C 1.755 178.363 176.600 0.013 0.000 0.983 130 E CA 0.443 56.849 56.400 0.011 0.000 0.818 130 E CB -0.200 29.507 29.700 0.012 0.000 0.758 130 E HN 0.210 nan 8.360 nan 0.000 0.467 131 L N 0.730 121.961 121.223 0.014 0.000 2.093 131 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 131 L C 1.836 178.715 176.870 0.015 0.000 1.085 131 L CA 1.651 56.501 54.840 0.016 0.000 0.755 131 L CB -0.165 41.904 42.059 0.017 0.000 0.904 131 L HN -0.000 nan 8.230 nan 0.000 0.435 132 K N -1.007 119.400 120.400 0.013 0.000 2.147 132 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 132 K C 1.993 178.600 176.600 0.012 0.000 1.049 132 K CA 1.164 57.459 56.287 0.012 0.000 0.936 132 K CB -0.246 32.260 32.500 0.010 0.000 0.722 132 K HN 0.406 nan 8.250 nan 0.000 0.446 133 A N 0.981 123.808 122.820 0.012 0.000 1.970 133 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 133 A C 1.929 179.522 177.584 0.015 0.000 1.170 133 A CA 0.772 52.816 52.037 0.012 0.000 0.645 133 A CB -0.254 18.753 19.000 0.012 0.000 0.816 133 A HN 0.206 nan 8.150 nan 0.000 0.447 134 L N -0.435 120.798 121.223 0.017 0.000 2.492 134 L HA 0.061 4.401 4.340 -0.000 0.000 0.223 134 L C 1.118 178.000 176.870 0.019 0.000 1.132 134 L CA 0.093 54.945 54.840 0.020 0.000 0.850 134 L CB 0.005 42.078 42.059 0.023 0.000 0.966 134 L HN 0.355 nan 8.230 nan 0.000 0.454 135 S N -0.344 115.366 115.700 0.017 0.000 2.549 135 S HA 0.175 4.645 4.470 -0.000 0.000 0.279 135 S C -0.191 174.418 174.600 0.015 0.000 1.321 135 S CA -0.487 57.723 58.200 0.016 0.000 1.054 135 S CB 0.899 64.108 63.200 0.015 0.000 0.899 135 S HN 0.003 nan 8.310 nan 0.000 0.497 136 V N 8.527 128.450 119.914 0.015 0.000 2.311 136 V HA 0.352 4.472 4.120 -0.000 0.000 0.275 136 V C -2.098 174.003 176.094 0.011 0.000 1.022 136 V CA -1.774 60.534 62.300 0.013 0.000 0.830 136 V CB 0.811 32.643 31.823 0.014 0.000 1.012 136 V HN 0.746 nan 8.190 nan 0.000 0.452 137 P HA 0.205 nan 4.420 nan 0.000 0.272 137 P C -0.603 176.701 177.300 0.007 0.000 1.223 137 P CA -0.373 62.732 63.100 0.008 0.000 0.784 137 P CB 0.495 32.200 31.700 0.007 0.000 0.923 138 C N 2.324 121.627 119.300 0.005 0.000 2.250 138 C HA 0.311 4.771 4.460 -0.000 0.000 0.319 138 C C 1.610 176.601 174.990 0.002 0.000 1.124 138 C CA 0.270 59.291 59.018 0.004 0.000 1.527 138 C CB -0.706 27.036 27.740 0.003 0.000 2.001 138 C HN 0.588 nan 8.230 nan 0.000 0.435 139 S N 1.363 117.064 115.700 0.002 0.000 2.431 139 S HA 0.028 4.498 4.470 -0.000 0.000 0.210 139 S C 0.629 175.229 174.600 -0.000 0.000 1.013 139 S CA 0.256 58.457 58.200 0.001 0.000 0.920 139 S CB -0.120 63.081 63.200 0.002 0.000 0.882 139 S HN 0.920 nan 8.310 nan 0.000 0.567 140 D N 1.923 122.323 120.400 0.000 0.000 2.362 140 D HA 0.076 4.716 4.640 -0.000 0.000 0.242 140 D C 0.712 177.011 176.300 -0.001 0.000 1.132 140 D CA 0.137 54.137 54.000 -0.001 0.000 0.907 140 D CB 0.873 41.673 40.800 0.000 0.000 1.195 140 D HN 0.269 nan 8.370 nan 0.000 0.429 141 S N 0.152 115.851 115.700 -0.002 0.000 2.603 141 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 141 S C 1.367 175.966 174.600 -0.002 0.000 0.972 141 S CA 0.325 58.523 58.200 -0.003 0.000 0.935 141 S CB -0.195 63.003 63.200 -0.004 0.000 0.769 141 S HN 0.586 nan 8.310 nan 0.000 0.536 142 K N 0.996 121.396 120.400 -0.001 0.000 2.166 142 K HA 0.303 4.623 4.320 -0.000 0.000 0.201 142 K C 2.125 178.725 176.600 0.000 0.000 1.052 142 K CA 0.745 57.032 56.287 -0.000 0.000 0.969 142 K CB -0.315 32.185 32.500 0.000 0.000 0.761 142 K HN 0.408 nan 8.250 nan 0.000 0.459 143 A N 0.693 123.514 122.820 0.001 0.000 2.072 143 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 143 A C 1.836 179.420 177.584 0.001 0.000 1.156 143 A CA 0.554 52.592 52.037 0.002 0.000 0.701 143 A CB -0.303 18.698 19.000 0.003 0.000 0.816 143 A HN 0.249 nan 8.150 nan 0.000 0.458 144 I N -0.268 120.302 120.570 -0.000 0.000 2.315 144 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 144 I C 2.846 178.963 176.117 -0.001 0.000 1.117 144 I CA 0.943 62.242 61.300 -0.001 0.000 1.404 144 I CB -0.146 37.853 38.000 -0.003 0.000 1.071 144 I HN 0.340 nan 8.210 nan 0.000 0.419 145 A N 0.038 122.857 122.820 -0.001 0.000 1.969 145 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 145 A C 2.244 179.827 177.584 -0.000 0.000 1.169 145 A CA 1.319 53.355 52.037 -0.001 0.000 0.635 145 A CB -0.466 18.533 19.000 -0.001 0.000 0.810 145 A HN 0.447 nan 8.150 nan 0.000 0.445 146 Q N -0.507 119.293 119.800 0.000 0.000 2.124 146 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 146 Q C 2.088 178.088 176.000 0.001 0.000 0.977 146 Q CA 1.616 57.419 55.803 0.001 0.000 0.850 146 Q CB -0.256 28.483 28.738 0.001 0.000 0.901 146 Q HN 0.537 nan 8.270 nan 0.000 0.429 147 V N -0.076 119.839 119.914 0.002 0.000 2.379 147 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 147 V C 2.173 178.270 176.094 0.004 0.000 1.044 147 V CA 1.849 64.152 62.300 0.004 0.000 1.036 147 V CB -0.929 30.897 31.823 0.005 0.000 0.664 147 V HN 0.478 nan 8.190 nan 0.000 0.453 148 G N -0.459 108.343 108.800 0.003 0.000 2.471 148 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.219 148 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.219 148 G C 1.616 176.517 174.900 0.003 0.000 1.125 148 G CA 1.375 46.477 45.100 0.004 0.000 0.775 148 G HN 0.486 nan 8.290 nan 0.000 0.548 149 T N 1.279 115.834 114.554 0.001 0.000 2.770 149 T HA 0.023 4.373 4.350 -0.000 0.000 0.258 149 T C 2.359 177.058 174.700 -0.002 0.000 1.039 149 T CA 0.764 62.864 62.100 -0.001 0.000 1.143 149 T CB -0.102 68.765 68.868 -0.002 0.000 0.866 149 T HN 0.266 nan 8.240 nan 0.000 0.428 150 I N 1.317 121.886 120.570 -0.002 0.000 2.546 150 I HA -0.048 4.122 4.170 -0.000 0.000 0.255 150 I C 2.346 178.461 176.117 -0.003 0.000 1.163 150 I CA 0.638 61.936 61.300 -0.004 0.000 1.457 150 I CB -0.292 37.705 38.000 -0.005 0.000 1.092 150 I HN 0.126 nan 8.210 nan 0.000 0.434 151 S N 0.852 116.553 115.700 0.001 0.000 2.461 151 S HA 0.089 4.559 4.470 -0.000 0.000 0.228 151 S C 1.660 176.261 174.600 0.003 0.000 1.005 151 S CA 0.912 59.114 58.200 0.003 0.000 0.942 151 S CB -0.033 63.173 63.200 0.010 0.000 0.776 151 S HN 0.497 nan 8.310 nan 0.000 0.514 152 A N 1.500 124.321 122.820 0.001 0.000 2.708 152 A HA 0.466 4.786 4.320 -0.000 0.000 0.293 152 A C 0.436 178.018 177.584 -0.003 0.000 1.303 152 A CA -0.521 51.516 52.037 0.001 0.000 0.949 152 A CB -0.572 18.430 19.000 0.002 0.000 1.121 152 A HN 0.310 nan 8.150 nan 0.000 0.542 153 N N 0.217 118.914 118.700 -0.005 0.000 2.681 153 N HA -0.205 4.535 4.740 -0.000 0.000 0.259 153 N C 0.199 175.704 175.510 -0.007 0.000 1.066 153 N CA 1.037 54.082 53.050 -0.007 0.000 0.717 153 N CB -1.875 36.608 38.487 -0.008 0.000 0.885 153 N HN 0.556 nan 8.380 nan 0.000 0.547 154 S N -1.133 114.563 115.700 -0.007 0.000 3.587 154 S HA -0.238 4.232 4.470 -0.000 0.000 0.337 154 S C -0.338 174.259 174.600 -0.005 0.000 1.119 154 S CA 0.964 59.160 58.200 -0.007 0.000 0.976 154 S CB -0.817 62.377 63.200 -0.009 0.000 0.922 154 S HN 0.727 nan 8.310 nan 0.000 0.503 155 D N 0.885 121.283 120.400 -0.004 0.000 2.359 155 D HA 0.265 4.905 4.640 -0.000 0.000 0.230 155 D C 0.987 177.285 176.300 -0.003 0.000 1.118 155 D CA -0.343 53.655 54.000 -0.003 0.000 0.844 155 D CB 0.761 41.559 40.800 -0.003 0.000 1.059 155 D HN 0.419 nan 8.370 nan 0.000 0.493 156 E N 1.165 121.363 120.200 -0.003 0.000 2.285 156 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 156 E C 1.318 177.916 176.600 -0.002 0.000 0.997 156 E CA 0.692 57.091 56.400 -0.002 0.000 0.845 156 E CB 0.425 30.123 29.700 -0.003 0.000 0.782 156 E HN 0.473 nan 8.360 nan 0.000 0.491 157 T N 0.569 115.122 114.554 -0.002 0.000 2.867 157 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 157 T C 2.112 176.811 174.700 -0.002 0.000 1.057 157 T CA 0.713 62.812 62.100 -0.002 0.000 1.136 157 T CB -0.058 68.809 68.868 -0.002 0.000 0.874 157 T HN -0.016 nan 8.240 nan 0.000 0.466 158 V N 1.668 121.581 119.914 -0.001 0.000 2.270 158 V HA -0.031 4.089 4.120 -0.000 0.000 0.245 158 V C 2.952 179.045 176.094 -0.001 0.000 1.043 158 V CA 1.944 64.244 62.300 -0.000 0.000 1.014 158 V CB -1.406 30.417 31.823 0.001 0.000 0.645 158 V HN 0.563 nan 8.190 nan 0.000 0.447 159 G N -0.600 108.200 108.800 -0.001 0.000 2.432 159 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 159 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 159 G C 1.644 176.542 174.900 -0.002 0.000 1.135 159 G CA 0.952 46.051 45.100 -0.001 0.000 0.767 159 G HN 0.482 nan 8.290 nan 0.000 0.550 160 K N -0.179 120.219 120.400 -0.003 0.000 2.097 160 K HA 0.118 4.438 4.320 -0.000 0.000 0.205 160 K C 2.423 179.021 176.600 -0.004 0.000 1.050 160 K CA 0.536 56.821 56.287 -0.003 0.000 0.938 160 K CB -0.186 32.312 32.500 -0.003 0.000 0.718 160 K HN 0.327 nan 8.250 nan 0.000 0.442 161 L N 0.725 121.946 121.223 -0.004 0.000 2.056 161 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 161 L C 2.254 179.120 176.870 -0.006 0.000 1.078 161 L CA 0.936 55.773 54.840 -0.005 0.000 0.749 161 L CB -0.255 41.801 42.059 -0.004 0.000 0.901 161 L HN 0.182 nan 8.230 nan 0.000 0.433 162 I N -0.215 120.352 120.570 -0.006 0.000 2.179 162 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 162 I C 2.788 178.900 176.117 -0.009 0.000 1.088 162 I CA 1.216 62.511 61.300 -0.008 0.000 1.357 162 I CB -0.558 37.437 38.000 -0.007 0.000 1.051 162 I HN 0.175 nan 8.210 nan 0.000 0.409 163 A N 0.322 123.138 122.820 -0.007 0.000 1.933 163 A HA -0.220 4.099 4.320 -0.000 0.000 0.218 163 A C 2.249 179.829 177.584 -0.007 0.000 1.175 163 A CA 1.693 53.727 52.037 -0.007 0.000 0.628 163 A CB -0.555 18.442 19.000 -0.005 0.000 0.814 163 A HN 0.457 nan 8.150 nan 0.000 0.444 164 E N -0.578 119.618 120.200 -0.007 0.000 2.152 164 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 164 E C 2.251 178.846 176.600 -0.008 0.000 0.983 164 E CA 0.698 57.094 56.400 -0.007 0.000 0.818 164 E CB -0.178 29.518 29.700 -0.006 0.000 0.758 164 E HN 0.632 nan 8.360 nan 0.000 0.467 165 A N 0.890 123.704 122.820 -0.010 0.000 1.929 165 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 165 A C 2.071 179.647 177.584 -0.013 0.000 1.176 165 A CA 0.945 52.975 52.037 -0.012 0.000 0.628 165 A CB -0.257 18.735 19.000 -0.014 0.000 0.816 165 A HN 0.124 nan 8.150 nan 0.000 0.444 166 M N -1.025 118.567 119.600 -0.013 0.000 2.492 166 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 166 M C 1.206 177.499 176.300 -0.011 0.000 1.090 166 M CA 1.181 56.473 55.300 -0.014 0.000 1.110 166 M CB -0.302 32.289 32.600 -0.014 0.000 1.407 166 M HN 0.336 nan 8.290 nan 0.000 0.470 167 D N 0.376 120.771 120.400 -0.009 0.000 2.347 167 D HA -0.049 4.591 4.640 -0.000 0.000 0.213 167 D C 2.003 178.298 176.300 -0.008 0.000 0.985 167 D CA 0.795 54.791 54.000 -0.008 0.000 0.879 167 D CB 0.432 41.228 40.800 -0.007 0.000 0.919 167 D HN 0.033 nan 8.370 nan 0.000 0.526 168 K N -0.472 119.922 120.400 -0.009 0.000 2.172 168 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 168 K C 1.894 178.488 176.600 -0.010 0.000 1.040 168 K CA 0.869 57.151 56.287 -0.009 0.000 0.974 168 K CB 0.051 32.546 32.500 -0.009 0.000 0.857 168 K HN 0.157 nan 8.250 nan 0.000 0.464 169 V N -2.468 117.439 119.914 -0.011 0.000 3.590 169 V HA 0.355 4.475 4.120 -0.000 0.000 0.265 169 V C 0.829 176.916 176.094 -0.012 0.000 1.239 169 V CA 0.420 62.713 62.300 -0.012 0.000 1.117 169 V CB -0.289 31.526 31.823 -0.014 0.000 0.818 169 V HN 0.390 nan 8.190 nan 0.000 0.451 170 G N 0.977 109.770 108.800 -0.012 0.000 2.631 170 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.504 170 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.504 170 G C 0.008 174.899 174.900 -0.014 0.000 1.306 170 G CA 0.007 45.100 45.100 -0.012 0.000 0.897 170 G HN 0.274 nan 8.290 nan 0.000 0.520 171 K N 0.016 120.408 120.400 -0.013 0.000 2.228 171 K HA 0.058 4.378 4.320 -0.000 0.000 0.202 171 K C 1.827 178.417 176.600 -0.017 0.000 1.051 171 K CA 1.416 57.694 56.287 -0.014 0.000 0.960 171 K CB 0.077 32.570 32.500 -0.011 0.000 0.743 171 K HN 0.462 nan 8.250 nan 0.000 0.458 172 E N 0.647 120.838 120.200 -0.015 0.000 2.447 172 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 172 E C 1.005 177.594 176.600 -0.018 0.000 1.028 172 E CA 0.075 56.465 56.400 -0.016 0.000 0.876 172 E CB 0.210 29.903 29.700 -0.012 0.000 0.885 172 E HN 0.238 nan 8.360 nan 0.000 0.500 173 G N 1.309 110.097 108.800 -0.019 0.000 2.664 173 G HA2 0.208 4.168 3.960 -0.000 0.000 0.242 173 G HA3 0.208 4.168 3.960 -0.000 0.000 0.242 173 G C 0.086 174.970 174.900 -0.026 0.000 1.225 173 G CA -0.425 44.664 45.100 -0.019 0.000 0.849 173 G HN -0.043 nan 8.290 nan 0.000 0.581 174 V N 1.255 121.154 119.914 -0.025 0.000 2.383 174 V HA 0.387 4.507 4.120 -0.000 0.000 0.275 174 V C 0.154 176.228 176.094 -0.034 0.000 1.036 174 V CA -0.222 62.059 62.300 -0.033 0.000 0.889 174 V CB 0.823 32.629 31.823 -0.029 0.000 0.985 174 V HN 0.483 nan 8.190 nan 0.000 0.459 175 I N 4.237 124.781 120.570 -0.043 0.000 2.436 175 I HA 0.601 4.771 4.170 -0.000 0.000 0.289 175 I C -0.038 176.055 176.117 -0.040 0.000 1.010 175 I CA -0.098 61.179 61.300 -0.038 0.000 1.098 175 I CB 2.253 40.230 38.000 -0.039 0.000 1.266 175 I HN 0.560 nan 8.210 nan 0.000 0.434 176 T N 4.572 119.108 114.554 -0.029 0.000 2.900 176 T HA 0.590 4.940 4.350 -0.000 0.000 0.295 176 T C -0.601 174.090 174.700 -0.016 0.000 1.044 176 T CA -0.648 61.437 62.100 -0.024 0.000 0.995 176 T CB 2.504 71.357 68.868 -0.025 0.000 1.072 176 T HN 0.159 nan 8.240 nan 0.000 0.473 177 V N 2.887 122.796 119.914 -0.009 0.000 2.459 177 V HA 0.596 4.716 4.120 -0.000 0.000 0.295 177 V C -0.151 175.940 176.094 -0.004 0.000 1.029 177 V CA -0.628 61.669 62.300 -0.004 0.000 0.874 177 V CB 1.512 33.337 31.823 0.003 0.000 0.985 177 V HN 1.029 nan 8.190 nan 0.000 0.438 178 E N 2.538 122.735 120.200 -0.006 0.000 2.445 178 E HA 0.500 4.850 4.350 -0.000 0.000 0.273 178 E C -1.499 175.097 176.600 -0.006 0.000 0.961 178 E CA -1.126 55.270 56.400 -0.006 0.000 0.807 178 E CB 1.461 31.154 29.700 -0.010 0.000 1.362 178 E HN 0.450 nan 8.360 nan 0.000 0.453 179 D N 0.593 120.989 120.400 -0.006 0.000 2.443 179 D HA 0.149 4.789 4.640 -0.000 0.000 0.239 179 D C 0.179 176.475 176.300 -0.006 0.000 1.136 179 D CA 0.539 54.535 54.000 -0.005 0.000 0.879 179 D CB 1.046 41.843 40.800 -0.006 0.000 1.195 179 D HN 0.538 nan 8.370 nan 0.000 0.443 180 G N -0.168 108.629 108.800 -0.005 0.000 2.537 180 G HA2 0.276 4.236 3.960 -0.000 0.000 0.273 180 G HA3 0.276 4.236 3.960 -0.000 0.000 0.273 180 G C 1.064 175.960 174.900 -0.006 0.000 1.189 180 G CA -0.241 44.856 45.100 -0.006 0.000 0.881 180 G HN 0.453 nan 8.290 nan 0.000 0.535 181 T N -2.208 112.342 114.554 -0.006 0.000 3.031 181 T HA 0.413 4.762 4.350 -0.000 0.000 0.254 181 T C 1.270 175.967 174.700 -0.005 0.000 1.060 181 T CA 1.104 63.200 62.100 -0.006 0.000 1.135 181 T CB 0.261 69.125 68.868 -0.006 0.000 0.896 181 T HN 1.002 nan 8.240 nan 0.000 0.472 182 G N 0.835 109.632 108.800 -0.004 0.000 3.159 182 G HA2 0.455 4.415 3.960 -0.000 0.000 0.150 182 G HA3 0.455 4.415 3.960 -0.000 0.000 0.150 182 G C -0.235 174.662 174.900 -0.004 0.000 1.193 182 G CA -0.020 45.078 45.100 -0.004 0.000 1.177 182 G HN 0.245 nan 8.290 nan 0.000 0.635 183 L N -0.053 121.168 121.223 -0.003 0.000 2.590 183 L HA 0.549 4.889 4.340 -0.000 0.000 0.227 183 L C 0.573 177.441 176.870 -0.003 0.000 1.099 183 L CA 0.560 55.398 54.840 -0.003 0.000 0.872 183 L CB 0.167 42.224 42.059 -0.003 0.000 1.088 183 L HN 0.411 nan 8.230 nan 0.000 0.479 184 Q N 0.094 119.892 119.800 -0.003 0.000 2.377 184 Q HA 0.283 4.623 4.340 -0.000 0.000 0.271 184 Q C -1.173 174.825 176.000 -0.004 0.000 1.077 184 Q CA -0.879 54.922 55.803 -0.004 0.000 0.820 184 Q CB 1.781 30.517 28.738 -0.004 0.000 1.347 184 Q HN 0.081 nan 8.270 nan 0.000 0.444 185 D N 2.730 123.128 120.400 -0.004 0.000 2.371 185 D HA 0.052 4.692 4.640 -0.000 0.000 0.256 185 D C -0.430 175.867 176.300 -0.005 0.000 1.193 185 D CA 0.616 54.613 54.000 -0.004 0.000 0.881 185 D CB 0.815 41.613 40.800 -0.004 0.000 1.143 185 D HN 0.333 nan 8.370 nan 0.000 0.473 186 E N 0.883 121.080 120.200 -0.006 0.000 2.212 186 E HA 0.563 4.913 4.350 -0.000 0.000 0.270 186 E C -0.704 175.892 176.600 -0.007 0.000 0.956 186 E CA -1.029 55.368 56.400 -0.006 0.000 0.825 186 E CB 2.284 31.980 29.700 -0.007 0.000 1.167 186 E HN 0.113 nan 8.360 nan 0.000 0.400 187 L N 2.682 123.901 121.223 -0.007 0.000 2.555 187 L HA 0.355 4.695 4.340 -0.000 0.000 0.264 187 L C -1.904 174.961 176.870 -0.008 0.000 0.972 187 L CA -0.271 54.565 54.840 -0.008 0.000 0.876 187 L CB 1.310 43.364 42.059 -0.008 0.000 1.216 187 L HN 0.385 nan 8.230 nan 0.000 0.415 188 D N 3.598 123.992 120.400 -0.009 0.000 2.433 188 D HA 0.555 5.195 4.640 -0.000 0.000 0.236 188 D C -0.882 175.412 176.300 -0.010 0.000 1.026 188 D CA -0.295 53.700 54.000 -0.009 0.000 0.884 188 D CB 2.963 43.757 40.800 -0.009 0.000 1.384 188 D HN 0.204 nan 8.370 nan 0.000 0.477 189 V N 1.497 121.405 119.914 -0.009 0.000 2.313 189 V HA 0.306 4.426 4.120 -0.000 0.000 0.278 189 V C 0.310 176.399 176.094 -0.009 0.000 1.017 189 V CA -0.698 61.596 62.300 -0.010 0.000 0.823 189 V CB 1.128 32.945 31.823 -0.009 0.000 1.010 189 V HN 0.418 nan 8.190 nan 0.000 0.443 190 V N 1.637 121.545 119.914 -0.010 0.000 2.850 190 V HA 0.648 4.768 4.120 -0.000 0.000 0.315 190 V C 0.082 176.171 176.094 -0.008 0.000 1.064 190 V CA -0.989 61.306 62.300 -0.010 0.000 0.979 190 V CB 1.936 33.752 31.823 -0.012 0.000 1.039 190 V HN 0.674 nan 8.190 nan 0.000 0.452 191 E N 2.339 122.535 120.200 -0.007 0.000 2.238 191 E HA 0.491 4.841 4.350 -0.000 0.000 0.264 191 E C 0.278 176.878 176.600 -0.001 0.000 1.136 191 E CA 0.644 57.042 56.400 -0.004 0.000 0.929 191 E CB 0.725 30.423 29.700 -0.004 0.000 1.010 191 E HN 1.079 nan 8.360 nan 0.000 0.440 192 G N 1.697 110.499 108.800 0.003 0.000 2.721 192 G HA2 0.694 4.654 3.960 -0.000 0.000 0.296 192 G HA3 0.694 4.654 3.960 -0.000 0.000 0.296 192 G C -1.139 173.773 174.900 0.021 0.000 1.383 192 G CA -0.636 44.470 45.100 0.010 0.000 0.788 192 G HN 0.370 nan 8.290 nan 0.000 0.500 193 M N -0.004 119.618 119.600 0.038 0.000 2.465 193 M HA 0.492 4.972 4.480 -0.000 0.000 0.284 193 M C -2.079 174.264 176.300 0.071 0.000 1.212 193 M CA -0.623 54.717 55.300 0.066 0.000 0.910 193 M CB 2.702 35.365 32.600 0.104 0.000 1.725 193 M HN 0.628 nan 8.290 nan 0.000 0.477 194 Q N 3.723 123.563 119.800 0.066 0.000 2.304 194 Q HA 0.630 4.970 4.340 -0.000 0.000 0.270 194 Q C -2.094 173.951 176.000 0.076 0.000 1.035 194 Q CA -0.602 55.195 55.803 -0.011 0.000 0.781 194 Q CB 1.958 30.659 28.738 -0.060 0.000 1.261 194 Q HN 0.598 nan 8.270 nan 0.000 0.444 195 F N -0.100 119.844 119.950 -0.011 0.000 2.611 195 F HA 0.602 5.129 4.527 -0.000 0.000 0.324 195 F C -0.859 174.937 175.800 -0.006 0.000 1.061 195 F CA -1.230 56.766 58.000 -0.007 0.000 0.954 195 F CB 1.188 40.186 39.000 -0.004 0.000 1.301 195 F HN 0.337 nan 8.300 nan 0.000 0.482 196 D N 1.832 122.350 120.400 0.197 0.000 2.638 196 D HA 0.335 4.975 4.640 -0.000 0.000 0.245 196 D C -0.425 175.935 176.300 0.100 0.000 1.176 196 D CA -0.238 53.804 54.000 0.071 0.000 0.996 196 D CB 0.240 41.077 40.800 0.062 0.000 1.012 196 D HN 0.230 nan 8.370 nan 0.000 0.515 197 R N 0.441 120.976 120.500 0.058 0.000 2.867 197 R HA 0.771 5.111 4.340 -0.000 0.000 0.268 197 R C 0.265 176.536 176.300 -0.049 0.000 1.014 197 R CA -0.957 55.186 56.100 0.072 0.000 0.946 197 R CB 1.798 32.237 30.300 0.231 0.000 1.208 197 R HN 0.320 nan 8.270 nan 0.000 0.477 198 G N 0.144 108.905 108.800 -0.065 0.000 2.601 198 G HA2 0.472 4.432 3.960 -0.000 0.000 0.317 198 G HA3 0.472 4.432 3.960 -0.000 0.000 0.317 198 G C -0.829 174.020 174.900 -0.085 0.000 1.246 198 G CA -0.503 44.474 45.100 -0.204 0.000 1.012 198 G HN 0.432 nan 8.290 nan 0.000 0.494 199 Y N -1.159 119.179 120.300 0.063 0.000 2.457 199 Y HA 0.420 4.970 4.550 -0.000 0.000 0.341 199 Y C 1.179 177.171 175.900 0.153 0.000 1.240 199 Y CA -1.288 56.882 58.100 0.117 0.000 1.437 199 Y CB 0.543 39.099 38.460 0.161 0.000 1.328 199 Y HN 0.224 nan 8.280 nan 0.000 0.588 200 L N 0.748 122.252 121.223 0.469 0.000 2.307 200 L HA 0.113 4.453 4.340 -0.000 0.000 0.211 200 L C 0.479 177.549 176.870 0.334 0.000 1.099 200 L CA 0.811 55.867 54.840 0.359 0.000 0.816 200 L CB 0.082 42.314 42.059 0.290 0.000 0.952 200 L HN 0.669 nan 8.230 nan 0.000 0.455 201 S N -0.997 114.918 115.700 0.358 0.000 2.561 201 S HA 0.345 4.815 4.470 -0.000 0.000 0.303 201 S C -1.919 172.504 174.600 -0.295 0.000 1.110 201 S CA -1.040 57.158 58.200 -0.004 0.000 1.034 201 S CB 1.723 64.704 63.200 -0.365 0.000 1.010 201 S HN -0.099 nan 8.310 nan 0.000 0.482 202 P HA -0.028 nan 4.420 nan 0.000 0.234 202 P C 0.285 177.156 177.300 -0.715 0.000 1.167 202 P CA 0.780 63.363 63.100 -0.861 0.000 0.763 202 P CB -0.025 31.367 31.700 -0.514 0.000 0.835 203 Y N -2.443 117.621 120.300 -0.393 0.000 2.490 203 Y HA 0.139 4.689 4.550 -0.000 0.000 0.281 203 Y C 1.847 177.577 175.900 -0.284 0.000 1.174 203 Y CA 0.201 58.112 58.100 -0.315 0.000 1.295 203 Y CB -0.732 37.545 38.460 -0.304 0.000 1.062 203 Y HN -0.186 nan 8.280 nan 0.000 0.522 204 F N -0.008 119.879 119.950 -0.105 0.000 2.456 204 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 204 F C 1.051 176.798 175.800 -0.088 0.000 1.104 204 F CA -0.235 57.721 58.000 -0.073 0.000 1.435 204 F CB -0.574 38.389 39.000 -0.062 0.000 1.078 204 F HN -0.165 nan 8.300 nan 0.000 0.546 205 I N 2.709 123.273 120.570 -0.011 0.000 2.828 205 I HA -0.195 3.975 4.170 -0.000 0.000 0.292 205 I C 1.197 177.321 176.117 0.010 0.000 1.206 205 I CA 0.097 61.381 61.300 -0.027 0.000 1.420 205 I CB 0.223 38.153 38.000 -0.116 0.000 1.368 205 I HN 0.207 nan 8.210 nan 0.000 0.556 206 N N 6.544 125.262 118.700 0.030 0.000 2.436 206 N HA -0.026 4.714 4.740 -0.000 0.000 0.178 206 N C 0.094 175.610 175.510 0.010 0.000 1.026 206 N CA 0.608 53.673 53.050 0.025 0.000 0.880 206 N CB 0.185 38.693 38.487 0.034 0.000 1.061 206 N HN 0.308 nan 8.380 nan 0.000 0.434 207 K N 2.167 122.572 120.400 0.010 0.000 2.266 207 K HA 0.265 4.585 4.320 -0.000 0.000 0.274 207 K C -1.825 174.774 176.600 -0.002 0.000 1.090 207 K CA -1.702 54.587 56.287 0.003 0.000 0.925 207 K CB 2.119 34.623 32.500 0.006 0.000 1.225 207 K HN 0.163 nan 8.250 nan 0.000 0.458 208 P HA -0.037 nan 4.420 nan 0.000 0.227 208 P C 0.752 178.041 177.300 -0.017 0.000 1.161 208 P CA 0.766 63.855 63.100 -0.019 0.000 0.788 208 P CB 0.565 32.250 31.700 -0.024 0.000 0.822 209 E N 0.117 120.309 120.200 -0.014 0.000 2.058 209 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 209 E C 2.024 178.611 176.600 -0.022 0.000 0.997 209 E CA 2.377 58.766 56.400 -0.018 0.000 0.801 209 E CB -0.468 29.223 29.700 -0.015 0.000 0.746 209 E HN 0.395 nan 8.360 nan 0.000 0.450 210 T N -2.620 111.926 114.554 -0.014 0.000 2.812 210 T HA 0.056 4.406 4.350 -0.000 0.000 0.264 210 T C 1.484 176.180 174.700 -0.008 0.000 1.042 210 T CA 0.603 62.694 62.100 -0.016 0.000 1.140 210 T CB -0.160 68.709 68.868 0.002 0.000 0.870 210 T HN 0.303 nan 8.240 nan 0.000 0.445 211 G N 1.227 110.032 108.800 0.008 0.000 2.520 211 G HA2 0.357 4.317 3.960 -0.000 0.000 0.264 211 G HA3 0.357 4.317 3.960 -0.000 0.000 0.264 211 G C -0.126 174.828 174.900 0.090 0.000 1.140 211 G CA -0.291 44.827 45.100 0.031 0.000 1.012 211 G HN 1.282 nan 8.290 nan 0.000 0.511 212 A N -0.861 122.005 122.820 0.078 0.000 2.606 212 A HA 0.936 5.256 4.320 -0.000 0.000 0.293 212 A C -0.235 177.401 177.584 0.087 0.000 1.082 212 A CA -0.146 51.959 52.037 0.113 0.000 0.685 212 A CB 1.716 20.760 19.000 0.072 0.000 1.284 212 A HN 1.514 nan 8.150 nan 0.000 0.408 213 V N 0.452 120.434 119.914 0.113 0.000 2.743 213 V HA 0.702 4.822 4.120 -0.000 0.000 0.301 213 V C 0.118 176.238 176.094 0.042 0.000 1.057 213 V CA -0.288 62.059 62.300 0.079 0.000 1.006 213 V CB 1.472 33.353 31.823 0.098 0.000 1.024 213 V HN 0.937 nan 8.190 nan 0.000 0.473 214 E N 2.768 122.984 120.200 0.027 0.000 2.313 214 E HA 0.550 4.900 4.350 -0.000 0.000 0.280 214 E C -1.898 174.705 176.600 0.005 0.000 0.898 214 E CA -0.470 55.937 56.400 0.011 0.000 0.803 214 E CB 1.411 31.118 29.700 0.011 0.000 1.286 214 E HN 0.647 nan 8.360 nan 0.000 0.401 215 L N 2.876 124.096 121.223 -0.006 0.000 2.381 215 L HA 0.545 4.885 4.340 -0.000 0.000 0.274 215 L C 0.001 176.858 176.870 -0.022 0.000 0.988 215 L CA -0.948 53.887 54.840 -0.009 0.000 0.824 215 L CB 1.868 43.920 42.059 -0.012 0.000 1.263 215 L HN 0.431 nan 8.230 nan 0.000 0.410 216 E N 1.017 121.204 120.200 -0.021 0.000 2.366 216 E HA 0.173 4.523 4.350 -0.000 0.000 0.266 216 E C 0.069 176.632 176.600 -0.063 0.000 1.051 216 E CA -0.336 56.043 56.400 -0.035 0.000 0.884 216 E CB 1.014 30.700 29.700 -0.024 0.000 1.006 216 E HN 0.622 nan 8.360 nan 0.000 0.417 217 S N 2.207 117.854 115.700 -0.088 0.000 3.243 217 S HA -0.136 4.334 4.470 -0.000 0.000 0.333 217 S C -2.268 172.178 174.600 -0.257 0.000 0.913 217 S CA 0.120 58.227 58.200 -0.155 0.000 1.310 217 S CB -1.266 61.849 63.200 -0.141 0.000 0.894 217 S HN 0.367 nan 8.310 nan 0.000 0.498 218 P HA 0.581 nan 4.420 nan 0.000 0.285 218 P C -0.150 176.967 177.300 -0.304 0.000 1.269 218 P CA -0.732 62.256 63.100 -0.188 0.000 0.844 218 P CB 0.600 32.259 31.700 -0.068 0.000 1.094 219 F N 0.445 120.393 119.950 -0.004 0.000 2.403 219 F HA 0.516 5.043 4.527 -0.000 0.000 0.326 219 F C 0.746 176.544 175.800 -0.003 0.000 1.081 219 F CA -0.305 57.694 58.000 -0.002 0.000 1.041 219 F CB 0.776 39.775 39.000 -0.002 0.000 1.234 219 F HN 0.044 nan 8.300 nan 0.000 0.503 220 I N 2.510 123.204 120.570 0.206 0.000 2.569 220 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 220 I C -1.298 174.872 176.117 0.089 0.000 1.088 220 I CA -0.663 60.703 61.300 0.110 0.000 1.047 220 I CB 2.058 40.103 38.000 0.075 0.000 1.237 220 I HN 0.331 nan 8.210 nan 0.000 0.421 221 L N 7.142 128.401 121.223 0.060 0.000 2.343 221 L HA 0.696 5.036 4.340 -0.000 0.000 0.275 221 L C -1.322 175.565 176.870 0.028 0.000 1.056 221 L CA -0.174 54.689 54.840 0.038 0.000 0.804 221 L CB 1.326 43.401 42.059 0.028 0.000 1.203 221 L HN 0.489 nan 8.230 nan 0.000 0.440 222 L N 4.945 126.178 121.223 0.017 0.000 2.482 222 L HA 0.812 5.152 4.340 -0.000 0.000 0.269 222 L C -1.040 175.830 176.870 0.000 0.000 0.967 222 L CA -0.340 54.503 54.840 0.004 0.000 0.851 222 L CB 1.872 43.928 42.059 -0.005 0.000 1.242 222 L HN 0.741 nan 8.230 nan 0.000 0.404 223 A N 1.501 124.321 122.820 -0.001 0.000 2.466 223 A HA 0.390 4.710 4.320 -0.000 0.000 0.284 223 A C -0.885 176.700 177.584 0.001 0.000 1.049 223 A CA -0.547 51.491 52.037 0.002 0.000 0.760 223 A CB 1.191 20.197 19.000 0.009 0.000 1.274 223 A HN 0.723 nan 8.150 nan 0.000 0.412 224 D N 2.662 123.061 120.400 -0.003 0.000 2.745 224 D HA 0.274 4.914 4.640 -0.000 0.000 0.229 224 D C 0.164 176.470 176.300 0.009 0.000 1.088 224 D CA 0.646 54.647 54.000 0.001 0.000 1.054 224 D CB -0.519 40.278 40.800 -0.005 0.000 1.132 224 D HN 0.548 nan 8.370 nan 0.000 0.464 225 K N -0.278 120.131 120.400 0.015 0.000 2.578 225 K HA 0.333 4.652 4.320 -0.000 0.000 0.269 225 K C -1.042 175.573 176.600 0.025 0.000 0.941 225 K CA -1.142 55.157 56.287 0.019 0.000 0.847 225 K CB 1.034 33.544 32.500 0.016 0.000 1.397 225 K HN -0.203 nan 8.250 nan 0.000 0.422 226 K N 2.460 122.877 120.400 0.028 0.000 2.339 226 K HA 0.281 4.600 4.320 -0.000 0.000 0.286 226 K C -0.317 176.301 176.600 0.031 0.000 1.050 226 K CA -0.283 56.024 56.287 0.033 0.000 0.956 226 K CB 0.466 32.985 32.500 0.033 0.000 0.990 226 K HN 0.416 nan 8.250 nan 0.000 0.475 227 I N 2.157 122.749 120.570 0.037 0.000 2.342 227 I HA 0.036 4.206 4.170 -0.000 0.000 0.291 227 I C 0.620 176.759 176.117 0.037 0.000 1.010 227 I CA 0.030 61.351 61.300 0.035 0.000 1.308 227 I CB 1.507 39.530 38.000 0.039 0.000 1.400 227 I HN 0.652 nan 8.210 nan 0.000 0.488 228 S N 3.636 119.354 115.700 0.030 0.000 2.631 228 S HA 0.214 4.684 4.470 -0.000 0.000 0.246 228 S C 0.392 175.007 174.600 0.025 0.000 1.068 228 S CA -0.262 57.955 58.200 0.028 0.000 0.995 228 S CB 0.335 63.549 63.200 0.024 0.000 0.944 228 S HN 0.637 nan 8.310 nan 0.000 0.529 229 N N 0.801 119.515 118.700 0.022 0.000 2.238 229 N HA 0.420 5.160 4.740 -0.000 0.000 0.302 229 N C -0.296 175.226 175.510 0.019 0.000 1.072 229 N CA -0.286 52.775 53.050 0.019 0.000 0.792 229 N CB 2.288 40.784 38.487 0.014 0.000 1.425 229 N HN 0.011 nan 8.380 nan 0.000 0.478 230 I N 1.658 122.239 120.570 0.018 0.000 3.251 230 I HA -0.040 4.130 4.170 -0.000 0.000 0.277 230 I C 2.277 178.400 176.117 0.011 0.000 1.268 230 I CA 0.589 61.900 61.300 0.017 0.000 1.449 230 I CB 0.072 38.082 38.000 0.018 0.000 1.083 230 I HN 0.489 nan 8.210 nan 0.000 0.464 231 R N 0.879 121.384 120.500 0.009 0.000 2.193 231 R HA -0.156 4.184 4.340 -0.000 0.000 0.229 231 R C 1.692 177.995 176.300 0.005 0.000 1.110 231 R CA 1.343 57.447 56.100 0.006 0.000 0.988 231 R CB 0.045 30.349 30.300 0.005 0.000 0.871 231 R HN 0.472 nan 8.270 nan 0.000 0.458 232 E N -0.900 119.305 120.200 0.008 0.000 2.385 232 E HA -0.051 4.299 4.350 -0.000 0.000 0.194 232 E C 1.519 178.122 176.600 0.006 0.000 1.013 232 E CA 0.324 56.728 56.400 0.007 0.000 0.866 232 E CB 0.312 30.017 29.700 0.009 0.000 0.832 232 E HN 0.261 nan 8.360 nan 0.000 0.500 233 M N 0.145 119.750 119.600 0.008 0.000 2.516 233 M HA 0.091 4.571 4.480 -0.000 0.000 0.259 233 M C 1.929 178.230 176.300 0.002 0.000 1.146 233 M CA 0.416 55.721 55.300 0.008 0.000 1.122 233 M CB 0.051 32.661 32.600 0.017 0.000 1.341 233 M HN 0.159 nan 8.290 nan 0.000 0.478 234 L N 1.100 122.323 121.223 0.001 0.000 1.955 234 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 234 L C -0.502 176.361 176.870 -0.012 0.000 1.072 234 L CA 1.791 56.629 54.840 -0.004 0.000 0.755 234 L CB -2.177 39.880 42.059 -0.003 0.000 0.888 234 L HN 0.144 nan 8.230 nan 0.000 0.432 235 P HA -0.112 nan 4.420 nan 0.000 0.226 235 P C 1.621 178.903 177.300 -0.030 0.000 1.146 235 P CA 1.136 64.224 63.100 -0.020 0.000 0.773 235 P CB 0.023 31.714 31.700 -0.016 0.000 0.772 236 V N -0.100 119.797 119.914 -0.028 0.000 2.300 236 V HA -0.144 3.976 4.120 -0.000 0.000 0.241 236 V C 2.717 178.780 176.094 -0.051 0.000 1.034 236 V CA 1.303 63.580 62.300 -0.039 0.000 1.021 236 V CB -1.221 30.588 31.823 -0.024 0.000 0.662 236 V HN -0.018 nan 8.190 nan 0.000 0.458 237 L N 0.079 121.283 121.223 -0.032 0.000 2.131 237 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 237 L C 2.572 179.420 176.870 -0.036 0.000 1.092 237 L CA 1.426 56.249 54.840 -0.028 0.000 0.759 237 L CB -0.473 41.583 42.059 -0.005 0.000 0.903 237 L HN 0.359 nan 8.230 nan 0.000 0.435 238 E N 0.548 120.727 120.200 -0.034 0.000 2.153 238 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 238 E C 2.065 178.634 176.600 -0.052 0.000 0.988 238 E CA 1.269 57.648 56.400 -0.034 0.000 0.811 238 E CB -0.035 29.649 29.700 -0.026 0.000 0.746 238 E HN 0.386 nan 8.360 nan 0.000 0.466 239 A N -0.392 122.383 122.820 -0.075 0.000 2.119 239 A HA 0.019 4.338 4.320 -0.000 0.000 0.216 239 A C 2.197 179.685 177.584 -0.160 0.000 1.152 239 A CA 0.882 52.854 52.037 -0.109 0.000 0.708 239 A CB -0.107 18.819 19.000 -0.123 0.000 0.805 239 A HN 0.177 nan 8.150 nan 0.000 0.460 240 V N -0.332 119.494 119.914 -0.146 0.000 2.453 240 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 240 V C 2.969 179.013 176.094 -0.085 0.000 1.048 240 V CA 1.636 63.834 62.300 -0.170 0.000 1.049 240 V CB -1.057 30.707 31.823 -0.097 0.000 0.672 240 V HN 0.557 nan 8.190 nan 0.000 0.457 241 A N -0.598 122.195 122.820 -0.045 0.000 1.902 241 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 241 A C 1.487 179.063 177.584 -0.012 0.000 1.181 241 A CA 0.967 52.996 52.037 -0.013 0.000 0.623 241 A CB -0.315 18.680 19.000 -0.009 0.000 0.818 241 A HN 0.480 nan 8.150 nan 0.000 0.443 242 K N -0.063 120.317 120.400 -0.034 0.000 2.447 242 K HA 0.333 4.653 4.320 -0.000 0.000 0.281 242 K C 0.170 176.754 176.600 -0.026 0.000 1.031 242 K CA 0.545 56.816 56.287 -0.028 0.000 1.019 242 K CB 0.006 32.482 32.500 -0.040 0.000 0.918 242 K HN 0.904 nan 8.250 nan 0.000 0.476 243 A N 2.748 125.581 122.820 0.021 0.000 2.301 243 A HA -0.130 4.190 4.320 -0.000 0.000 0.283 243 A C 0.504 178.167 177.584 0.132 0.000 1.419 243 A CA 0.302 52.389 52.037 0.084 0.000 0.730 243 A CB -1.870 17.204 19.000 0.123 0.000 1.161 243 A HN 0.967 nan 8.150 nan 0.000 0.356 244 G N 0.946 109.801 108.800 0.092 0.000 2.298 244 G HA2 0.389 4.349 3.960 -0.000 0.000 0.284 244 G HA3 0.389 4.349 3.960 -0.000 0.000 0.284 244 G C 0.047 175.023 174.900 0.127 0.000 1.013 244 G CA 0.999 46.153 45.100 0.089 0.000 1.365 244 G HN 0.893 nan 8.290 nan 0.000 0.415 245 K N 2.568 123.083 120.400 0.191 0.000 2.551 245 K HA 0.391 4.711 4.320 -0.000 0.000 0.269 245 K C -2.569 174.164 176.600 0.221 0.000 0.949 245 K CA -1.563 54.846 56.287 0.203 0.000 0.849 245 K CB 2.689 35.334 32.500 0.243 0.000 1.411 245 K HN 0.144 nan 8.250 nan 0.000 0.432 246 P HA 0.153 nan 4.420 nan 0.000 0.272 246 P C -1.390 176.010 177.300 0.167 0.000 1.254 246 P CA -0.573 62.594 63.100 0.112 0.000 0.795 246 P CB 0.462 32.193 31.700 0.051 0.000 1.022 247 L N 0.552 121.836 121.223 0.102 0.000 2.401 247 L HA 0.652 4.992 4.340 -0.000 0.000 0.266 247 L C -1.767 175.116 176.870 0.022 0.000 0.991 247 L CA -0.810 54.093 54.840 0.104 0.000 0.818 247 L CB 1.938 44.044 42.059 0.080 0.000 1.321 247 L HN 0.109 nan 8.230 nan 0.000 0.413 248 L N 5.701 126.943 121.223 0.032 0.000 2.342 248 L HA 0.584 4.924 4.340 -0.000 0.000 0.276 248 L C -1.180 175.696 176.870 0.010 0.000 0.997 248 L CA -0.295 54.540 54.840 -0.010 0.000 0.838 248 L CB 1.157 43.219 42.059 0.005 0.000 1.224 248 L HN 0.415 nan 8.230 nan 0.000 0.416 249 I N 6.437 126.995 120.570 -0.019 0.000 2.416 249 I HA 0.246 4.416 4.170 -0.000 0.000 0.288 249 I C -0.010 176.123 176.117 0.027 0.000 1.051 249 I CA -0.015 61.289 61.300 0.007 0.000 1.375 249 I CB 0.879 38.882 38.000 0.004 0.000 1.407 249 I HN 0.545 nan 8.210 nan 0.000 0.516 250 I N 6.001 126.594 120.570 0.038 0.000 2.537 250 I HA 0.499 4.669 4.170 -0.000 0.000 0.276 250 I C 0.205 176.336 176.117 0.022 0.000 1.063 250 I CA -0.216 61.111 61.300 0.045 0.000 1.144 250 I CB 1.252 39.280 38.000 0.048 0.000 1.252 250 I HN 0.638 nan 8.210 nan 0.000 0.480 251 A N 3.799 126.639 122.820 0.033 0.000 2.347 251 A HA 0.522 4.842 4.320 -0.000 0.000 0.301 251 A C 0.986 178.589 177.584 0.032 0.000 1.163 251 A CA -0.469 51.584 52.037 0.027 0.000 0.860 251 A CB 1.316 20.336 19.000 0.033 0.000 1.367 251 A HN 0.684 nan 8.150 nan 0.000 0.461 252 E N -0.573 119.644 120.200 0.029 0.000 2.033 252 E HA -0.191 4.159 4.350 -0.000 0.000 0.199 252 E C -0.196 176.434 176.600 0.049 0.000 1.011 252 E CA 1.972 58.394 56.400 0.036 0.000 0.815 252 E CB 0.101 29.821 29.700 0.034 0.000 0.755 252 E HN 0.637 nan 8.360 nan 0.000 0.451 253 D N -1.872 118.559 120.400 0.051 0.000 2.602 253 D HA 0.272 4.912 4.640 -0.000 0.000 0.236 253 D C -1.777 174.562 176.300 0.064 0.000 1.209 253 D CA -0.629 53.408 54.000 0.062 0.000 0.831 253 D CB 2.223 43.057 40.800 0.057 0.000 1.478 253 D HN -0.084 nan 8.370 nan 0.000 0.438 254 V N 1.964 121.926 119.914 0.080 0.000 2.448 254 V HA 0.512 4.632 4.120 -0.000 0.000 0.295 254 V C -0.034 176.109 176.094 0.081 0.000 1.025 254 V CA -0.615 61.736 62.300 0.085 0.000 0.859 254 V CB 1.574 33.464 31.823 0.112 0.000 0.988 254 V HN 0.438 nan 8.190 nan 0.000 0.431 255 E N 2.159 122.398 120.200 0.065 0.000 2.277 255 E HA 0.586 4.935 4.350 -0.000 0.000 0.266 255 E C 1.075 177.703 176.600 0.046 0.000 0.901 255 E CA -0.125 56.306 56.400 0.053 0.000 0.782 255 E CB 2.112 31.837 29.700 0.042 0.000 1.228 255 E HN 0.780 nan 8.360 nan 0.000 0.424 256 G N 2.247 111.070 108.800 0.038 0.000 2.999 256 G HA2 -0.493 3.467 3.960 -0.000 0.000 0.335 256 G HA3 -0.493 3.467 3.960 -0.000 0.000 0.335 256 G C 1.210 176.125 174.900 0.024 0.000 1.346 256 G CA 1.501 46.617 45.100 0.027 0.000 1.351 256 G HN 0.687 nan 8.290 nan 0.000 0.902 257 E N 1.411 121.625 120.200 0.023 0.000 2.001 257 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 257 E C 3.057 179.675 176.600 0.030 0.000 0.994 257 E CA 1.692 58.103 56.400 0.020 0.000 0.815 257 E CB -0.639 29.071 29.700 0.017 0.000 0.770 257 E HN 0.705 nan 8.360 nan 0.000 0.453 258 A N 1.640 124.484 122.820 0.039 0.000 1.971 258 A HA -0.236 4.084 4.320 -0.000 0.000 0.222 258 A C 2.251 179.882 177.584 0.078 0.000 1.182 258 A CA 1.856 53.926 52.037 0.055 0.000 0.649 258 A CB -0.894 18.140 19.000 0.056 0.000 0.818 258 A HN 0.398 nan 8.150 nan 0.000 0.458 259 L N -0.400 120.868 121.223 0.075 0.000 1.921 259 L HA -0.062 4.278 4.340 -0.000 0.000 0.219 259 L C 2.730 179.625 176.870 0.043 0.000 1.081 259 L CA 2.620 57.511 54.840 0.085 0.000 0.771 259 L CB -0.975 41.124 42.059 0.068 0.000 0.888 259 L HN 0.325 nan 8.230 nan 0.000 0.433 260 A N -1.686 121.140 122.820 0.010 0.000 2.084 260 A HA -0.219 4.100 4.320 -0.000 0.000 0.221 260 A C 2.127 179.699 177.584 -0.020 0.000 1.161 260 A CA 2.295 54.317 52.037 -0.024 0.000 0.653 260 A CB -1.302 17.683 19.000 -0.024 0.000 0.802 260 A HN 0.679 nan 8.150 nan 0.000 0.457 261 T N 0.456 115.016 114.554 0.010 0.000 2.668 261 T HA -0.082 4.268 4.350 -0.000 0.000 0.262 261 T C 1.810 176.531 174.700 0.035 0.000 1.045 261 T CA 1.483 63.594 62.100 0.018 0.000 1.152 261 T CB -0.432 68.454 68.868 0.031 0.000 0.864 261 T HN 0.388 nan 8.240 nan 0.000 0.419 262 L N 1.009 122.282 121.223 0.084 0.000 2.131 262 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 262 L C 2.674 179.618 176.870 0.125 0.000 1.092 262 L CA 0.662 55.604 54.840 0.170 0.000 0.759 262 L CB -0.777 41.465 42.059 0.305 0.000 0.903 262 L HN 0.147 nan 8.230 nan 0.000 0.435 263 V N -0.991 118.884 119.914 -0.064 0.000 2.244 263 V HA -0.218 3.902 4.120 -0.000 0.000 0.244 263 V C 2.362 178.340 176.094 -0.193 0.000 1.042 263 V CA 1.568 63.680 62.300 -0.313 0.000 1.006 263 V CB -0.403 31.223 31.823 -0.327 0.000 0.641 263 V HN 0.165 nan 8.190 nan 0.000 0.446 264 V N 0.106 119.939 119.914 -0.136 0.000 2.307 264 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 264 V C 1.833 177.893 176.094 -0.056 0.000 1.045 264 V CA 1.705 63.936 62.300 -0.115 0.000 1.024 264 V CB -0.779 30.984 31.823 -0.100 0.000 0.651 264 V HN 0.552 nan 8.190 nan 0.000 0.449 265 N N 0.473 119.162 118.700 -0.018 0.000 2.530 265 N HA -0.037 4.703 4.740 -0.000 0.000 0.216 265 N C 1.067 176.604 175.510 0.045 0.000 1.315 265 N CA 1.057 54.114 53.050 0.013 0.000 0.858 265 N CB 0.234 38.735 38.487 0.023 0.000 1.138 265 N HN 0.772 nan 8.380 nan 0.000 0.473 266 T N -4.454 110.125 114.554 0.041 0.000 2.992 266 T HA 0.107 4.456 4.350 -0.000 0.000 0.255 266 T C 1.675 176.396 174.700 0.035 0.000 0.938 266 T CA -0.330 61.815 62.100 0.075 0.000 0.895 266 T CB 0.098 69.073 68.868 0.179 0.000 1.221 266 T HN -0.017 nan 8.240 nan 0.000 0.512 267 M N 1.270 120.864 119.600 -0.010 0.000 2.117 267 M HA 0.019 4.499 4.480 -0.000 0.000 0.262 267 M C 2.464 178.754 176.300 -0.017 0.000 1.065 267 M CA 1.372 56.656 55.300 -0.027 0.000 1.114 267 M CB -0.228 32.328 32.600 -0.074 0.000 1.361 267 M HN 0.122 nan 8.290 nan 0.000 0.408 268 R N -0.397 120.094 120.500 -0.015 0.000 2.120 268 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 268 R C 1.336 177.635 176.300 -0.001 0.000 1.123 268 R CA 1.340 57.434 56.100 -0.010 0.000 0.975 268 R CB -0.252 30.043 30.300 -0.009 0.000 0.866 268 R HN 0.755 nan 8.270 nan 0.000 0.446 269 G N 0.186 108.992 108.800 0.010 0.000 2.176 269 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.232 269 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.232 269 G C 0.230 175.141 174.900 0.020 0.000 0.986 269 G CA -0.125 44.984 45.100 0.016 0.000 0.643 269 G HN 0.256 nan 8.290 nan 0.000 0.522 270 I N 2.061 122.642 120.570 0.019 0.000 2.311 270 I HA 0.369 4.539 4.170 -0.000 0.000 0.297 270 I C 0.827 176.963 176.117 0.032 0.000 1.131 270 I CA -0.415 60.898 61.300 0.020 0.000 1.289 270 I CB 0.515 38.524 38.000 0.014 0.000 1.446 270 I HN 0.155 nan 8.210 nan 0.000 0.524 271 V N 4.688 124.623 119.914 0.035 0.000 3.548 271 V HA -0.226 3.894 4.120 -0.000 0.000 0.496 271 V C 0.162 176.294 176.094 0.063 0.000 0.682 271 V CA 0.362 62.690 62.300 0.046 0.000 2.033 271 V CB -1.138 30.709 31.823 0.040 0.000 2.463 271 V HN 0.737 nan 8.190 nan 0.000 0.506 272 K N 3.319 123.758 120.400 0.064 0.000 2.322 272 K HA 0.751 5.070 4.320 -0.000 0.000 0.283 272 K C -0.177 176.462 176.600 0.065 0.000 1.042 272 K CA 0.162 56.495 56.287 0.077 0.000 0.958 272 K CB 1.637 34.175 32.500 0.063 0.000 0.984 272 K HN 0.634 nan 8.250 nan 0.000 0.473 273 V N 0.837 120.793 119.914 0.070 0.000 3.202 273 V HA 0.894 5.014 4.120 -0.000 0.000 0.306 273 V C -1.795 174.103 176.094 -0.328 0.000 1.283 273 V CA -0.445 61.829 62.300 -0.043 0.000 1.065 273 V CB 2.280 34.108 31.823 0.008 0.000 1.079 273 V HN 0.815 nan 8.190 nan 0.000 0.448 274 A N 1.722 124.177 122.820 -0.608 0.000 2.605 274 A HA 0.998 5.318 4.320 -0.000 0.000 0.294 274 A C -1.088 176.064 177.584 -0.719 0.000 1.062 274 A CA -0.043 51.231 52.037 -1.270 0.000 0.682 274 A CB 1.677 20.295 19.000 -0.638 0.000 1.278 274 A HN 2.209 nan 8.150 nan 0.000 0.410 275 A N 0.746 123.175 122.820 -0.652 0.000 2.359 275 A HA 0.772 5.092 4.320 -0.000 0.000 0.303 275 A C -0.420 177.186 177.584 0.037 0.000 1.066 275 A CA -0.079 51.877 52.037 -0.135 0.000 0.730 275 A CB 1.011 20.020 19.000 0.015 0.000 1.211 275 A HN 2.239 nan 8.150 nan 0.000 0.439 276 V N -0.129 119.827 119.914 0.070 0.000 2.864 276 V HA 0.610 4.730 4.120 -0.000 0.000 0.314 276 V C -0.174 176.002 176.094 0.137 0.000 1.073 276 V CA -1.292 61.086 62.300 0.130 0.000 0.956 276 V CB 1.447 33.361 31.823 0.152 0.000 1.023 276 V HN 0.820 nan 8.190 nan 0.000 0.435 277 K N 2.041 122.525 120.400 0.140 0.000 2.414 277 K HA 0.511 4.831 4.320 -0.000 0.000 0.272 277 K C 0.454 177.117 176.600 0.104 0.000 0.993 277 K CA 0.339 56.694 56.287 0.114 0.000 0.964 277 K CB 0.880 33.444 32.500 0.106 0.000 0.925 277 K HN 1.074 nan 8.250 nan 0.000 0.487 278 A N 4.998 127.846 122.820 0.047 0.000 2.492 278 A HA 0.150 4.469 4.320 -0.000 0.000 0.254 278 A C -1.997 175.571 177.584 -0.027 0.000 1.091 278 A CA -1.133 50.889 52.037 -0.026 0.000 0.768 278 A CB -0.462 18.523 19.000 -0.026 0.000 1.028 278 A HN 0.424 nan 8.150 nan 0.000 0.498 279 P HA 0.351 nan 4.420 nan 0.000 0.271 279 P C 0.726 178.009 177.300 -0.028 0.000 1.220 279 P CA 1.534 64.590 63.100 -0.074 0.000 0.768 279 P CB 0.614 32.129 31.700 -0.309 0.000 0.848 280 G N 2.825 111.664 108.800 0.065 0.000 2.741 280 G HA2 -0.056 3.903 3.960 -0.000 0.000 0.222 280 G HA3 -0.056 3.903 3.960 -0.000 0.000 0.222 280 G C -0.887 174.116 174.900 0.171 0.000 1.364 280 G CA -0.144 45.015 45.100 0.099 0.000 0.866 280 G HN 0.705 nan 8.290 nan 0.000 0.555 281 F N -1.789 118.172 119.950 0.017 0.000 2.629 281 F HA 0.790 5.317 4.527 -0.000 0.000 0.316 281 F C 1.204 177.013 175.800 0.014 0.000 1.081 281 F CA 0.260 58.269 58.000 0.015 0.000 0.954 281 F CB 1.149 40.161 39.000 0.021 0.000 1.337 281 F HN 2.375 nan 8.300 nan 0.000 0.474 282 G N 1.672 110.553 108.800 0.135 0.000 2.686 282 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.329 282 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.329 282 G C 0.609 175.465 174.900 -0.072 0.000 1.187 282 G CA 1.038 46.165 45.100 0.045 0.000 0.965 282 G HN 0.788 nan 8.290 nan 0.000 0.549 283 D N 1.136 121.449 120.400 -0.144 0.000 2.120 283 D HA -0.011 4.628 4.640 -0.000 0.000 0.202 283 D C 2.587 178.804 176.300 -0.138 0.000 0.972 283 D CA 1.534 55.466 54.000 -0.114 0.000 0.837 283 D CB -0.346 40.396 40.800 -0.097 0.000 0.989 283 D HN 0.726 nan 8.370 nan 0.000 0.469 284 R N 1.000 121.368 120.500 -0.221 0.000 2.285 284 R HA 0.049 4.389 4.340 -0.000 0.000 0.213 284 R C 2.031 178.239 176.300 -0.154 0.000 1.068 284 R CA 0.611 56.598 56.100 -0.187 0.000 1.004 284 R CB -0.219 29.951 30.300 -0.217 0.000 0.873 284 R HN 0.063 nan 8.270 nan 0.000 0.467 285 R N 1.717 122.131 120.500 -0.144 0.000 2.066 285 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 285 R C 1.466 177.720 176.300 -0.077 0.000 1.131 285 R CA 1.613 57.663 56.100 -0.084 0.000 0.955 285 R CB 0.011 30.293 30.300 -0.031 0.000 0.851 285 R HN 0.200 nan 8.270 nan 0.000 0.432 286 K N -0.167 120.193 120.400 -0.067 0.000 2.148 286 K HA -0.026 4.294 4.320 -0.000 0.000 0.204 286 K C 1.993 178.557 176.600 -0.060 0.000 1.050 286 K CA 1.269 57.524 56.287 -0.053 0.000 0.942 286 K CB 0.001 32.477 32.500 -0.040 0.000 0.724 286 K HN 0.260 nan 8.250 nan 0.000 0.446 287 A N 1.015 123.794 122.820 -0.069 0.000 1.855 287 A HA -0.085 4.235 4.320 -0.000 0.000 0.213 287 A C 2.093 179.630 177.584 -0.078 0.000 1.195 287 A CA 1.059 53.057 52.037 -0.065 0.000 0.610 287 A CB -0.376 18.586 19.000 -0.064 0.000 0.837 287 A HN 0.125 nan 8.150 nan 0.000 0.444 288 M N -0.339 119.203 119.600 -0.098 0.000 2.195 288 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 288 M C 2.046 178.256 176.300 -0.149 0.000 1.066 288 M CA 1.333 56.558 55.300 -0.125 0.000 1.089 288 M CB -0.626 31.882 32.600 -0.153 0.000 1.377 288 M HN 0.409 nan 8.290 nan 0.000 0.411 289 L N -0.722 120.420 121.223 -0.134 0.000 2.027 289 L HA -0.222 4.118 4.340 -0.000 0.000 0.206 289 L C 2.567 179.389 176.870 -0.081 0.000 1.074 289 L CA 1.183 55.948 54.840 -0.124 0.000 0.745 289 L CB -0.710 41.292 42.059 -0.094 0.000 0.898 289 L HN 0.263 nan 8.230 nan 0.000 0.433 290 Q N 0.593 120.356 119.800 -0.062 0.000 2.135 290 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 290 Q C 1.567 177.543 176.000 -0.040 0.000 0.981 290 Q CA 1.875 57.653 55.803 -0.043 0.000 0.856 290 Q CB -0.128 28.588 28.738 -0.036 0.000 0.902 290 Q HN 0.378 nan 8.270 nan 0.000 0.425 291 D N -0.146 120.223 120.400 -0.051 0.000 2.137 291 D HA -0.210 4.430 4.640 -0.000 0.000 0.189 291 D C 1.759 178.039 176.300 -0.034 0.000 0.998 291 D CA 1.927 55.902 54.000 -0.043 0.000 0.839 291 D CB -0.341 40.427 40.800 -0.054 0.000 0.962 291 D HN 0.347 nan 8.370 nan 0.000 0.446 292 I N 0.734 121.273 120.570 -0.053 0.000 2.194 292 I HA -0.334 3.836 4.170 -0.000 0.000 0.246 292 I C 2.389 178.500 176.117 -0.010 0.000 1.093 292 I CA 1.288 62.570 61.300 -0.030 0.000 1.355 292 I CB -0.329 37.628 38.000 -0.071 0.000 1.046 292 I HN -0.015 nan 8.210 nan 0.000 0.413 293 A N 0.380 123.189 122.820 -0.019 0.000 1.933 293 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 293 A C 2.363 179.947 177.584 -0.001 0.000 1.175 293 A CA 2.437 54.470 52.037 -0.006 0.000 0.628 293 A CB -0.997 17.997 19.000 -0.010 0.000 0.814 293 A HN 0.447 nan 8.150 nan 0.000 0.444 294 T N 0.155 114.705 114.554 -0.007 0.000 2.896 294 T HA -0.016 4.334 4.350 -0.000 0.000 0.263 294 T C 1.831 176.531 174.700 -0.000 0.000 1.050 294 T CA 0.929 63.026 62.100 -0.004 0.000 1.140 294 T CB -0.247 68.616 68.868 -0.009 0.000 0.877 294 T HN 0.282 nan 8.240 nan 0.000 0.457 295 L N 2.205 123.429 121.223 0.001 0.000 2.083 295 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 295 L C 2.465 179.341 176.870 0.009 0.000 1.083 295 L CA 2.401 57.245 54.840 0.007 0.000 0.752 295 L CB -1.235 40.834 42.059 0.016 0.000 0.899 295 L HN 0.476 nan 8.230 nan 0.000 0.433 296 T N -4.446 110.115 114.554 0.012 0.000 3.044 296 T HA 0.223 4.573 4.350 -0.000 0.000 0.255 296 T C 1.413 176.120 174.700 0.012 0.000 1.073 296 T CA 0.687 62.794 62.100 0.012 0.000 1.125 296 T CB 0.299 69.180 68.868 0.022 0.000 0.908 296 T HN 0.499 nan 8.240 nan 0.000 0.480 297 G N 0.473 109.281 108.800 0.013 0.000 2.144 297 G HA2 0.021 3.981 3.960 -0.000 0.000 0.218 297 G HA3 0.021 3.981 3.960 -0.000 0.000 0.218 297 G C 0.475 175.390 174.900 0.025 0.000 0.988 297 G CA -0.043 45.067 45.100 0.016 0.000 0.659 297 G HN 0.953 nan 8.290 nan 0.000 0.522 298 G N -1.018 107.799 108.800 0.028 0.000 2.882 298 G HA2 0.795 4.755 3.960 -0.000 0.000 0.164 298 G HA3 0.795 4.755 3.960 -0.000 0.000 0.164 298 G C -0.014 174.898 174.900 0.020 0.000 1.429 298 G CA 0.719 45.839 45.100 0.034 0.000 1.059 298 G HN 1.052 nan 8.290 nan 0.000 0.581 299 T N -1.550 113.015 114.554 0.017 0.000 2.843 299 T HA 0.522 4.872 4.350 -0.000 0.000 0.302 299 T C -0.810 173.893 174.700 0.004 0.000 1.232 299 T CA -0.517 61.587 62.100 0.007 0.000 1.009 299 T CB 1.711 70.583 68.868 0.006 0.000 1.254 299 T HN 0.376 nan 8.240 nan 0.000 0.504 300 V N 1.328 121.240 119.914 -0.003 0.000 2.716 300 V HA 0.641 4.761 4.120 -0.000 0.000 0.304 300 V C -0.658 175.434 176.094 -0.003 0.000 1.053 300 V CA -0.744 61.552 62.300 -0.006 0.000 0.984 300 V CB 1.144 32.958 31.823 -0.015 0.000 1.021 300 V HN 0.729 nan 8.190 nan 0.000 0.467 301 I N 2.852 123.420 120.570 -0.002 0.000 2.478 301 I HA 0.570 4.740 4.170 -0.000 0.000 0.287 301 I C -0.195 175.922 176.117 -0.000 0.000 1.042 301 I CA 0.159 61.459 61.300 -0.001 0.000 1.067 301 I CB 2.049 40.050 38.000 0.002 0.000 1.233 301 I HN 0.741 nan 8.210 nan 0.000 0.431 302 S N 2.606 118.305 115.700 -0.000 0.000 2.546 302 S HA 0.509 4.979 4.470 -0.000 0.000 0.274 302 S C 0.280 174.881 174.600 0.002 0.000 1.121 302 S CA -0.836 57.365 58.200 0.001 0.000 0.887 302 S CB 1.778 64.978 63.200 -0.002 0.000 1.094 302 S HN 0.599 nan 8.310 nan 0.000 0.474 303 E N 1.146 121.348 120.200 0.004 0.000 2.268 303 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 303 E C 1.325 177.927 176.600 0.004 0.000 0.995 303 E CA 1.011 57.414 56.400 0.004 0.000 0.836 303 E CB -0.078 29.626 29.700 0.007 0.000 0.763 303 E HN 0.783 nan 8.360 nan 0.000 0.491 304 E N 0.698 120.899 120.200 0.003 0.000 2.058 304 E HA -0.194 4.155 4.350 -0.000 0.000 0.194 304 E C 1.990 178.591 176.600 0.001 0.000 0.997 304 E CA 1.073 57.475 56.400 0.002 0.000 0.801 304 E CB -0.049 29.652 29.700 0.001 0.000 0.746 304 E HN 0.315 nan 8.360 nan 0.000 0.450 305 I N -1.266 119.304 120.570 -0.000 0.000 2.716 305 I HA 0.011 4.181 4.170 -0.000 0.000 0.259 305 I C 1.486 177.603 176.117 -0.000 0.000 1.172 305 I CA 0.791 62.091 61.300 -0.001 0.000 1.478 305 I CB 0.375 38.373 38.000 -0.002 0.000 1.104 305 I HN 0.299 nan 8.210 nan 0.000 0.439 306 G N 0.648 109.448 108.800 0.000 0.000 2.200 306 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.145 306 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.145 306 G C 0.169 175.069 174.900 0.001 0.000 1.021 306 G CA -0.649 44.451 45.100 0.001 0.000 0.720 306 G HN 0.097 nan 8.290 nan 0.000 0.494 307 M N 1.843 121.444 119.600 0.000 0.000 2.077 307 M HA 0.395 4.875 4.480 -0.000 0.000 0.348 307 M C 0.261 176.561 176.300 0.001 0.000 1.252 307 M CA 0.108 55.408 55.300 0.000 0.000 1.096 307 M CB 0.813 33.413 32.600 -0.000 0.000 1.568 307 M HN 0.179 nan 8.290 nan 0.000 0.456 308 E N 2.037 122.238 120.200 0.001 0.000 2.283 308 E HA 0.206 4.556 4.350 -0.000 0.000 0.267 308 E C 0.423 177.024 176.600 0.001 0.000 1.045 308 E CA -0.423 55.978 56.400 0.002 0.000 0.884 308 E CB 1.866 31.567 29.700 0.001 0.000 1.106 308 E HN 0.681 nan 8.360 nan 0.000 0.408 309 L N 1.726 122.950 121.223 0.002 0.000 2.395 309 L HA -0.108 4.232 4.340 -0.000 0.000 0.218 309 L C 1.585 178.454 176.870 -0.001 0.000 1.130 309 L CA 0.833 55.674 54.840 0.002 0.000 0.826 309 L CB 0.075 42.138 42.059 0.005 0.000 0.941 309 L HN 0.581 nan 8.230 nan 0.000 0.451 310 E N 0.341 120.540 120.200 -0.001 0.000 2.051 310 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 310 E C 1.022 177.618 176.600 -0.007 0.000 0.991 310 E CA 1.209 57.607 56.400 -0.003 0.000 0.799 310 E CB 0.109 29.808 29.700 -0.002 0.000 0.748 310 E HN 0.224 nan 8.360 nan 0.000 0.449 311 K N 0.345 120.742 120.400 -0.006 0.000 2.994 311 K HA 0.337 4.657 4.320 -0.000 0.000 0.231 311 K C -0.870 175.724 176.600 -0.009 0.000 1.174 311 K CA -0.302 55.980 56.287 -0.008 0.000 1.221 311 K CB 0.933 33.429 32.500 -0.006 0.000 1.166 311 K HN -0.008 nan 8.250 nan 0.000 0.453 312 A N 1.534 124.348 122.820 -0.011 0.000 2.279 312 A HA 0.236 4.556 4.320 -0.000 0.000 0.306 312 A C 0.621 178.192 177.584 -0.022 0.000 1.300 312 A CA -0.524 51.506 52.037 -0.012 0.000 0.925 312 A CB 0.033 19.027 19.000 -0.009 0.000 1.152 312 A HN 0.349 nan 8.150 nan 0.000 0.544 313 T N 0.506 115.047 114.554 -0.022 0.000 2.920 313 T HA 0.387 4.737 4.350 -0.000 0.000 0.292 313 T C 1.286 175.959 174.700 -0.046 0.000 1.093 313 T CA -0.122 61.958 62.100 -0.033 0.000 0.944 313 T CB 0.122 68.976 68.868 -0.024 0.000 1.605 313 T HN 0.382 nan 8.240 nan 0.000 0.590 314 L N 0.019 121.208 121.223 -0.057 0.000 2.109 314 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 314 L C 2.824 179.691 176.870 -0.004 0.000 1.086 314 L CA 1.402 56.196 54.840 -0.077 0.000 0.760 314 L CB -0.372 41.631 42.059 -0.093 0.000 0.910 314 L HN 0.741 nan 8.230 nan 0.000 0.437 315 E N -0.433 119.773 120.200 0.010 0.000 2.274 315 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 315 E C 1.209 177.828 176.600 0.032 0.000 0.996 315 E CA 0.731 57.150 56.400 0.032 0.000 0.840 315 E CB 0.108 29.822 29.700 0.023 0.000 0.772 315 E HN 0.565 nan 8.360 nan 0.000 0.491 316 D N 0.216 120.627 120.400 0.018 0.000 2.310 316 D HA -0.072 4.568 4.640 -0.000 0.000 0.212 316 D C 0.267 176.586 176.300 0.032 0.000 0.965 316 D CA 0.420 54.430 54.000 0.017 0.000 0.879 316 D CB 0.152 40.956 40.800 0.006 0.000 0.921 316 D HN 0.090 nan 8.370 nan 0.000 0.510 317 L N 0.129 121.381 121.223 0.049 0.000 2.375 317 L HA 0.398 4.738 4.340 -0.000 0.000 0.271 317 L C 1.147 178.095 176.870 0.129 0.000 1.107 317 L CA -0.174 54.721 54.840 0.092 0.000 0.806 317 L CB 1.441 43.564 42.059 0.108 0.000 1.146 317 L HN -0.192 nan 8.230 nan 0.000 0.447 318 G N 1.274 110.147 108.800 0.122 0.000 2.434 318 G HA2 0.628 4.588 3.960 -0.000 0.000 0.330 318 G HA3 0.628 4.588 3.960 -0.000 0.000 0.330 318 G C -1.083 173.861 174.900 0.075 0.000 1.155 318 G CA -0.405 44.747 45.100 0.087 0.000 0.917 318 G HN 0.523 nan 8.290 nan 0.000 0.493 319 Q N -0.348 119.457 119.800 0.008 0.000 2.340 319 Q HA 0.609 4.949 4.340 -0.000 0.000 0.268 319 Q C -0.015 175.939 176.000 -0.077 0.000 1.031 319 Q CA -0.749 54.996 55.803 -0.096 0.000 0.804 319 Q CB 2.395 31.044 28.738 -0.147 0.000 1.286 319 Q HN 0.689 nan 8.270 nan 0.000 0.448 320 A N 1.899 124.659 122.820 -0.100 0.000 3.791 320 A HA 0.545 4.865 4.320 -0.000 0.000 0.159 320 A C 0.143 177.672 177.584 -0.092 0.000 1.359 320 A CA -0.212 51.783 52.037 -0.069 0.000 0.899 320 A CB 0.858 19.831 19.000 -0.044 0.000 1.642 320 A HN 0.670 nan 8.150 nan 0.000 0.612 321 K N -1.385 118.972 120.400 -0.071 0.000 2.558 321 K HA 0.276 4.596 4.320 -0.000 0.000 0.215 321 K C -0.354 176.210 176.600 -0.059 0.000 1.298 321 K CA 0.173 56.416 56.287 -0.072 0.000 1.008 321 K CB 1.183 33.650 32.500 -0.054 0.000 1.073 321 K HN 0.524 nan 8.250 nan 0.000 0.606 322 R N 0.847 121.317 120.500 -0.050 0.000 2.764 322 R HA 0.159 4.498 4.340 -0.000 0.000 0.250 322 R C -1.907 174.372 176.300 -0.034 0.000 1.122 322 R CA -0.451 55.626 56.100 -0.039 0.000 1.022 322 R CB 1.787 32.069 30.300 -0.031 0.000 1.266 322 R HN -0.039 nan 8.270 nan 0.000 0.454 323 V N 0.702 120.598 119.914 -0.031 0.000 2.588 323 V HA 0.834 4.954 4.120 -0.000 0.000 0.304 323 V C -0.877 175.199 176.094 -0.029 0.000 1.042 323 V CA -0.679 61.602 62.300 -0.032 0.000 0.877 323 V CB 2.003 33.811 31.823 -0.025 0.000 0.996 323 V HN 0.372 nan 8.190 nan 0.000 0.425 324 V N 5.674 125.564 119.914 -0.040 0.000 2.540 324 V HA 0.622 4.742 4.120 -0.000 0.000 0.302 324 V C -0.351 175.719 176.094 -0.039 0.000 1.035 324 V CA -0.388 61.896 62.300 -0.027 0.000 0.873 324 V CB 1.742 33.550 31.823 -0.025 0.000 0.992 324 V HN 0.872 nan 8.190 nan 0.000 0.428 325 I N 4.169 124.743 120.570 0.008 0.000 2.468 325 I HA 0.412 4.582 4.170 -0.000 0.000 0.285 325 I C 0.206 176.371 176.117 0.081 0.000 1.039 325 I CA -0.324 60.989 61.300 0.021 0.000 1.074 325 I CB 1.518 39.566 38.000 0.081 0.000 1.228 325 I HN 0.582 nan 8.210 nan 0.000 0.436 326 N N 4.331 123.019 118.700 -0.020 0.000 2.374 326 N HA 0.176 4.916 4.740 -0.000 0.000 0.284 326 N C 1.029 176.363 175.510 -0.295 0.000 1.280 326 N CA -0.434 52.593 53.050 -0.038 0.000 0.963 326 N CB 1.036 39.491 38.487 -0.052 0.000 1.141 326 N HN 0.531 nan 8.380 nan 0.000 0.565 327 K N 0.114 120.327 120.400 -0.311 0.000 2.152 327 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 327 K C -0.022 176.247 176.600 -0.551 0.000 1.048 327 K CA 1.687 57.601 56.287 -0.621 0.000 0.933 327 K CB 0.104 32.480 32.500 -0.207 0.000 0.721 327 K HN 0.567 nan 8.250 nan 0.000 0.447 328 D N -1.253 118.970 120.400 -0.295 0.000 2.785 328 D HA 0.046 4.686 4.640 -0.000 0.000 0.324 328 D C -0.954 175.263 176.300 -0.138 0.000 1.523 328 D CA -0.262 53.625 54.000 -0.189 0.000 0.789 328 D CB 0.676 41.411 40.800 -0.109 0.000 1.171 328 D HN -0.114 nan 8.370 nan 0.000 0.447 329 T N 0.458 114.914 114.554 -0.164 0.000 3.176 329 T HA 0.246 4.596 4.350 -0.000 0.000 0.337 329 T C -0.238 174.336 174.700 -0.209 0.000 0.957 329 T CA -0.345 61.659 62.100 -0.160 0.000 1.092 329 T CB 1.444 70.248 68.868 -0.107 0.000 1.018 329 T HN -0.126 nan 8.240 nan 0.000 0.473 330 T N 2.729 117.079 114.554 -0.341 0.000 2.913 330 T HA 0.568 4.918 4.350 -0.000 0.000 0.297 330 T C 0.403 174.796 174.700 -0.511 0.000 1.029 330 T CA -0.253 61.573 62.100 -0.457 0.000 1.104 330 T CB 1.090 69.506 68.868 -0.753 0.000 0.964 330 T HN 0.638 nan 8.240 nan 0.000 0.532 331 T N 2.466 116.823 114.554 -0.328 0.000 3.293 331 T HA 0.465 4.815 4.350 -0.000 0.000 0.320 331 T C -0.986 173.643 174.700 -0.118 0.000 0.995 331 T CA -0.716 61.248 62.100 -0.226 0.000 1.041 331 T CB 0.124 68.905 68.868 -0.145 0.000 1.058 331 T HN 0.473 nan 8.240 nan 0.000 0.453 332 I N 5.700 126.234 120.570 -0.060 0.000 2.301 332 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 332 I C -0.340 175.773 176.117 -0.007 0.000 1.046 332 I CA -0.725 60.574 61.300 -0.002 0.000 1.282 332 I CB 0.988 39.029 38.000 0.069 0.000 1.409 332 I HN 0.542 nan 8.210 nan 0.000 0.484 333 I N 6.073 126.632 120.570 -0.019 0.000 2.359 333 I HA 0.169 4.338 4.170 -0.000 0.000 0.294 333 I C 0.399 176.503 176.117 -0.020 0.000 0.987 333 I CA 0.074 61.362 61.300 -0.020 0.000 1.225 333 I CB 0.918 38.903 38.000 -0.025 0.000 1.366 333 I HN 0.550 nan 8.210 nan 0.000 0.466 334 D N 4.493 124.883 120.400 -0.017 0.000 2.697 334 D HA -0.150 4.490 4.640 -0.000 0.000 0.238 334 D C 0.380 176.667 176.300 -0.023 0.000 1.152 334 D CA 0.928 54.916 54.000 -0.019 0.000 0.666 334 D CB -0.670 40.115 40.800 -0.024 0.000 1.037 334 D HN 0.817 nan 8.370 nan 0.000 0.423 335 G N 0.195 108.986 108.800 -0.014 0.000 2.334 335 G HA2 0.335 4.295 3.960 -0.000 0.000 0.261 335 G HA3 0.335 4.295 3.960 -0.000 0.000 0.261 335 G C 0.779 175.669 174.900 -0.016 0.000 1.257 335 G CA -0.343 44.749 45.100 -0.015 0.000 0.935 335 G HN 0.389 nan 8.290 nan 0.000 0.480 336 V N 4.336 124.234 119.914 -0.026 0.000 2.054 336 V HA 0.221 4.341 4.120 -0.000 0.000 0.243 336 V C 1.501 177.589 176.094 -0.010 0.000 1.480 336 V CA 0.362 62.649 62.300 -0.022 0.000 1.440 336 V CB -0.680 31.124 31.823 -0.032 0.000 1.489 336 V HN 0.812 nan 8.190 nan 0.000 0.502 337 G N 2.236 111.032 108.800 -0.005 0.000 2.928 337 G HA2 0.437 4.397 3.960 -0.000 0.000 0.163 337 G HA3 0.437 4.397 3.960 -0.000 0.000 0.163 337 G C -0.122 174.777 174.900 -0.001 0.000 1.573 337 G CA -0.233 44.867 45.100 -0.001 0.000 1.084 337 G HN 0.469 nan 8.290 nan 0.000 0.569 338 E N -1.225 118.975 120.200 -0.001 0.000 2.416 338 E HA 0.241 4.591 4.350 -0.000 0.000 0.273 338 E C 0.727 177.325 176.600 -0.003 0.000 0.935 338 E CA -0.549 55.850 56.400 -0.002 0.000 0.784 338 E CB 2.418 32.118 29.700 -0.000 0.000 1.301 338 E HN 0.530 nan 8.360 nan 0.000 0.454 339 E N 0.773 120.971 120.200 -0.003 0.000 2.028 339 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 339 E C 1.577 178.175 176.600 -0.004 0.000 0.988 339 E CA 1.376 57.773 56.400 -0.003 0.000 0.799 339 E CB 0.068 29.765 29.700 -0.003 0.000 0.755 339 E HN 0.523 nan 8.360 nan 0.000 0.447 340 A N 0.680 123.498 122.820 -0.003 0.000 2.067 340 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 340 A C 2.125 179.707 177.584 -0.004 0.000 1.156 340 A CA 1.208 53.243 52.037 -0.003 0.000 0.683 340 A CB -0.139 18.860 19.000 -0.003 0.000 0.808 340 A HN 0.279 nan 8.150 nan 0.000 0.455 341 A N -0.182 122.636 122.820 -0.003 0.000 1.903 341 A HA 0.153 4.473 4.320 -0.000 0.000 0.213 341 A C 2.037 179.618 177.584 -0.005 0.000 1.185 341 A CA 1.051 53.086 52.037 -0.004 0.000 0.628 341 A CB -0.387 18.612 19.000 -0.002 0.000 0.830 341 A HN 0.412 nan 8.150 nan 0.000 0.446 342 I N -0.860 119.707 120.570 -0.005 0.000 2.163 342 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 342 I C 2.711 178.824 176.117 -0.006 0.000 1.081 342 I CA 1.648 62.945 61.300 -0.005 0.000 1.353 342 I CB -0.178 37.819 38.000 -0.004 0.000 1.054 342 I HN 0.335 nan 8.210 nan 0.000 0.407 343 Q N 1.051 120.847 119.800 -0.006 0.000 2.234 343 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 343 Q C 1.925 177.921 176.000 -0.007 0.000 0.980 343 Q CA 1.996 57.796 55.803 -0.006 0.000 0.869 343 Q CB -0.544 28.190 28.738 -0.006 0.000 0.912 343 Q HN 0.531 nan 8.270 nan 0.000 0.436 344 G N -0.471 108.325 108.800 -0.007 0.000 2.395 344 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.214 344 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.214 344 G C 1.525 176.419 174.900 -0.009 0.000 1.177 344 G CA 0.590 45.686 45.100 -0.007 0.000 0.794 344 G HN 0.319 nan 8.290 nan 0.000 0.532 345 R N 0.237 120.731 120.500 -0.010 0.000 2.096 345 R HA 0.005 4.345 4.340 -0.000 0.000 0.235 345 R C 2.517 178.808 176.300 -0.014 0.000 1.127 345 R CA 1.364 57.456 56.100 -0.013 0.000 0.968 345 R CB -0.710 29.582 30.300 -0.013 0.000 0.861 345 R HN 0.237 nan 8.270 nan 0.000 0.440 346 V N 0.509 120.416 119.914 -0.012 0.000 2.244 346 V HA -0.160 3.960 4.120 -0.000 0.000 0.244 346 V C 2.250 178.336 176.094 -0.013 0.000 1.042 346 V CA 1.946 64.238 62.300 -0.013 0.000 1.006 346 V CB -1.014 30.803 31.823 -0.011 0.000 0.641 346 V HN 0.521 nan 8.190 nan 0.000 0.446 347 A N -1.102 121.711 122.820 -0.011 0.000 2.186 347 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 347 A C 2.200 179.777 177.584 -0.012 0.000 1.159 347 A CA 2.002 54.033 52.037 -0.011 0.000 0.680 347 A CB -0.469 18.526 19.000 -0.009 0.000 0.787 347 A HN 0.649 nan 8.150 nan 0.000 0.467 348 Q N -0.687 119.105 119.800 -0.013 0.000 2.226 348 Q HA 0.060 4.400 4.340 -0.000 0.000 0.199 348 Q C 1.831 177.821 176.000 -0.017 0.000 0.945 348 Q CA 0.762 56.556 55.803 -0.014 0.000 0.861 348 Q CB -0.043 28.687 28.738 -0.014 0.000 0.953 348 Q HN 0.693 nan 8.270 nan 0.000 0.490 349 I N 0.363 120.921 120.570 -0.019 0.000 2.546 349 I HA -0.178 3.992 4.170 -0.000 0.000 0.255 349 I C 2.473 178.576 176.117 -0.023 0.000 1.163 349 I CA 0.716 62.001 61.300 -0.024 0.000 1.457 349 I CB -0.150 37.834 38.000 -0.027 0.000 1.092 349 I HN 0.100 nan 8.210 nan 0.000 0.434 350 R N 0.637 121.125 120.500 -0.020 0.000 2.276 350 R HA -0.124 4.216 4.340 -0.000 0.000 0.203 350 R C 2.181 178.471 176.300 -0.016 0.000 1.017 350 R CA 0.719 56.808 56.100 -0.018 0.000 1.010 350 R CB 0.029 30.320 30.300 -0.016 0.000 0.900 350 R HN 0.394 nan 8.270 nan 0.000 0.469 351 Q N -0.514 119.277 119.800 -0.015 0.000 2.331 351 Q HA -0.080 4.260 4.340 -0.000 0.000 0.203 351 Q C 1.403 177.395 176.000 -0.014 0.000 0.944 351 Q CA 0.548 56.343 55.803 -0.013 0.000 0.892 351 Q CB 0.432 29.163 28.738 -0.012 0.000 0.983 351 Q HN 0.345 nan 8.270 nan 0.000 0.482 352 Q N 0.358 120.147 119.800 -0.018 0.000 2.119 352 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 352 Q C 2.113 178.102 176.000 -0.019 0.000 0.972 352 Q CA 1.312 57.103 55.803 -0.019 0.000 0.847 352 Q CB -0.226 28.497 28.738 -0.025 0.000 0.903 352 Q HN 0.607 nan 8.270 nan 0.000 0.433 353 I N -1.980 118.577 120.570 -0.022 0.000 2.928 353 I HA -0.043 4.126 4.170 -0.000 0.000 0.266 353 I C 1.603 177.711 176.117 -0.015 0.000 1.234 353 I CA 0.751 62.038 61.300 -0.021 0.000 1.483 353 I CB -0.295 37.689 38.000 -0.026 0.000 1.097 353 I HN -0.029 nan 8.210 nan 0.000 0.455 354 E N 1.799 121.991 120.200 -0.013 0.000 2.152 354 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 354 E C 0.701 177.297 176.600 -0.007 0.000 0.983 354 E CA 0.865 57.259 56.400 -0.009 0.000 0.818 354 E CB 0.050 29.745 29.700 -0.009 0.000 0.758 354 E HN 0.651 nan 8.360 nan 0.000 0.467 355 E N 0.618 120.813 120.200 -0.008 0.000 2.542 355 E HA 0.279 4.629 4.350 -0.000 0.000 0.224 355 E C -0.797 175.800 176.600 -0.005 0.000 1.110 355 E CA -0.458 55.938 56.400 -0.006 0.000 1.350 355 E CB 0.996 30.692 29.700 -0.006 0.000 1.302 355 E HN 0.058 nan 8.360 nan 0.000 0.435 356 A N 1.156 123.972 122.820 -0.005 0.000 2.404 356 A HA 0.170 4.490 4.320 -0.000 0.000 0.273 356 A C 1.335 178.922 177.584 0.005 0.000 1.144 356 A CA -0.264 51.771 52.037 -0.003 0.000 0.806 356 A CB 0.151 19.146 19.000 -0.007 0.000 1.080 356 A HN 0.310 nan 8.150 nan 0.000 0.509 357 T N -0.313 114.247 114.554 0.011 0.000 3.040 357 T HA 0.231 4.581 4.350 -0.000 0.000 0.252 357 T C 0.881 175.595 174.700 0.025 0.000 1.064 357 T CA 0.801 62.910 62.100 0.015 0.000 1.110 357 T CB -0.044 68.833 68.868 0.015 0.000 0.921 357 T HN 0.703 nan 8.240 nan 0.000 0.480 358 S N -0.208 115.514 115.700 0.037 0.000 2.568 358 S HA 0.428 4.897 4.470 -0.000 0.000 0.293 358 S C -0.154 174.483 174.600 0.063 0.000 1.089 358 S CA -0.603 57.630 58.200 0.056 0.000 0.945 358 S CB 1.667 64.916 63.200 0.082 0.000 1.077 358 S HN 0.061 nan 8.310 nan 0.000 0.485 359 D N 1.418 121.860 120.400 0.071 0.000 2.104 359 D HA -0.100 4.539 4.640 -0.000 0.000 0.194 359 D C 1.330 177.685 176.300 0.090 0.000 0.994 359 D CA 1.941 55.981 54.000 0.068 0.000 0.830 359 D CB -0.339 40.502 40.800 0.069 0.000 0.959 359 D HN 0.701 nan 8.370 nan 0.000 0.452 360 Y N 1.307 121.609 120.300 0.003 0.000 2.220 360 Y HA -0.124 4.425 4.550 -0.000 0.000 0.291 360 Y C 1.723 177.621 175.900 -0.003 0.000 1.129 360 Y CA 1.309 59.411 58.100 0.004 0.000 1.161 360 Y CB -0.001 38.466 38.460 0.011 0.000 0.997 360 Y HN -0.183 nan 8.280 nan 0.000 0.522 361 D N 0.515 120.987 120.400 0.121 0.000 2.158 361 D HA -0.240 4.399 4.640 -0.000 0.000 0.197 361 D C 2.178 178.413 176.300 -0.108 0.000 0.995 361 D CA 1.310 55.311 54.000 0.002 0.000 0.846 361 D CB -0.307 40.535 40.800 0.070 0.000 0.941 361 D HN 0.407 nan 8.370 nan 0.000 0.456 362 R N 1.001 121.458 120.500 -0.072 0.000 2.097 362 R HA -0.167 4.173 4.340 -0.000 0.000 0.236 362 R C 2.083 178.307 176.300 -0.128 0.000 1.135 362 R CA 1.445 57.499 56.100 -0.076 0.000 0.934 362 R CB -0.162 30.114 30.300 -0.039 0.000 0.846 362 R HN 0.202 nan 8.270 nan 0.000 0.431 363 E N -0.019 120.076 120.200 -0.176 0.000 2.049 363 E HA -0.210 4.140 4.350 -0.000 0.000 0.198 363 E C 1.898 178.362 176.600 -0.227 0.000 1.007 363 E CA 1.452 57.736 56.400 -0.192 0.000 0.809 363 E CB 0.083 29.655 29.700 -0.213 0.000 0.749 363 E HN 0.211 nan 8.360 nan 0.000 0.450 364 K N 0.230 120.410 120.400 -0.366 0.000 2.365 364 K HA -0.053 4.266 4.320 -0.000 0.000 0.199 364 K C 2.123 178.621 176.600 -0.171 0.000 1.045 364 K CA 0.426 56.538 56.287 -0.291 0.000 0.962 364 K CB -0.078 32.182 32.500 -0.401 0.000 0.759 364 K HN 0.218 nan 8.250 nan 0.000 0.469 365 L N 0.642 121.775 121.223 -0.151 0.000 2.095 365 L HA -0.118 4.221 4.340 -0.000 0.000 0.204 365 L C 2.576 179.402 176.870 -0.075 0.000 1.080 365 L CA 0.964 55.746 54.840 -0.096 0.000 0.759 365 L CB -0.282 41.730 42.059 -0.078 0.000 0.914 365 L HN 0.167 nan 8.230 nan 0.000 0.439 366 Q N 0.039 119.793 119.800 -0.077 0.000 2.045 366 Q HA -0.280 4.060 4.340 -0.000 0.000 0.206 366 Q C 2.021 177.991 176.000 -0.050 0.000 0.991 366 Q CA 1.887 57.656 55.803 -0.057 0.000 0.851 366 Q CB -0.143 28.562 28.738 -0.055 0.000 0.911 366 Q HN 0.498 nan 8.270 nan 0.000 0.418 367 E N -0.103 120.060 120.200 -0.061 0.000 2.333 367 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 367 E C 1.949 178.529 176.600 -0.033 0.000 1.007 367 E CA 0.325 56.699 56.400 -0.044 0.000 0.845 367 E CB 0.054 29.724 29.700 -0.050 0.000 0.766 367 E HN 0.170 nan 8.360 nan 0.000 0.507 368 R N 0.532 121.005 120.500 -0.044 0.000 2.127 368 R HA -0.058 4.282 4.340 -0.000 0.000 0.217 368 R C 2.242 178.526 176.300 -0.026 0.000 1.074 368 R CA 0.929 57.007 56.100 -0.037 0.000 0.991 368 R CB 0.264 30.532 30.300 -0.053 0.000 0.895 368 R HN 0.128 nan 8.270 nan 0.000 0.450 369 V N -1.997 117.901 119.914 -0.027 0.000 2.788 369 V HA 0.101 4.221 4.120 -0.000 0.000 0.251 369 V C 2.307 178.393 176.094 -0.014 0.000 1.068 369 V CA 1.246 63.535 62.300 -0.020 0.000 1.090 369 V CB -0.697 31.113 31.823 -0.022 0.000 0.710 369 V HN 0.166 nan 8.190 nan 0.000 0.467 370 A N 0.614 123.425 122.820 -0.015 0.000 1.972 370 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 370 A C 2.342 179.925 177.584 -0.002 0.000 1.169 370 A CA 2.133 54.164 52.037 -0.010 0.000 0.635 370 A CB -0.412 18.581 19.000 -0.013 0.000 0.810 370 A HN 0.583 nan 8.150 nan 0.000 0.446 371 K N -1.157 119.246 120.400 0.005 0.000 2.005 371 K HA 0.059 4.379 4.320 -0.000 0.000 0.206 371 K C 1.935 178.546 176.600 0.018 0.000 1.044 371 K CA 1.161 57.461 56.287 0.021 0.000 0.942 371 K CB -0.317 32.207 32.500 0.041 0.000 0.727 371 K HN 0.336 nan 8.250 nan 0.000 0.439 372 L N 0.586 121.815 121.223 0.010 0.000 2.005 372 L HA -0.088 4.251 4.340 -0.000 0.000 0.207 372 L C 1.987 178.858 176.870 0.002 0.000 1.072 372 L CA 1.811 56.656 54.840 0.007 0.000 0.744 372 L CB -0.356 41.701 42.059 -0.002 0.000 0.895 372 L HN 0.159 nan 8.230 nan 0.000 0.433 373 A N -1.403 121.415 122.820 -0.003 0.000 2.218 373 A HA 0.210 4.530 4.320 -0.000 0.000 0.209 373 A C 2.096 179.677 177.584 -0.004 0.000 1.168 373 A CA 0.678 52.712 52.037 -0.005 0.000 0.804 373 A CB -0.893 18.102 19.000 -0.008 0.000 0.834 373 A HN 0.483 nan 8.150 nan 0.000 0.482 374 G N -0.627 108.171 108.800 -0.003 0.000 2.511 374 G HA2 0.378 4.338 3.960 -0.000 0.000 0.217 374 G HA3 0.378 4.338 3.960 -0.000 0.000 0.217 374 G C 1.095 175.993 174.900 -0.004 0.000 1.133 374 G CA 0.637 45.735 45.100 -0.004 0.000 0.792 374 G HN 1.514 nan 8.290 nan 0.000 0.539 375 G N -1.405 107.394 108.800 -0.001 0.000 2.752 375 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.234 375 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.234 375 G C -0.599 174.298 174.900 -0.005 0.000 1.367 375 G CA -0.178 44.920 45.100 -0.002 0.000 0.879 375 G HN 0.981 nan 8.290 nan 0.000 0.563 376 V N 0.481 120.391 119.914 -0.008 0.000 2.577 376 V HA 0.714 4.834 4.120 -0.000 0.000 0.303 376 V C 0.780 176.865 176.094 -0.015 0.000 1.042 376 V CA -0.061 62.231 62.300 -0.013 0.000 0.872 376 V CB 1.297 33.112 31.823 -0.015 0.000 0.998 376 V HN 2.038 nan 8.190 nan 0.000 0.423 377 A N 4.488 127.297 122.820 -0.017 0.000 2.354 377 A HA 0.761 5.081 4.320 -0.000 0.000 0.269 377 A C -0.493 177.081 177.584 -0.017 0.000 1.109 377 A CA -0.243 51.784 52.037 -0.016 0.000 0.800 377 A CB 0.921 19.911 19.000 -0.017 0.000 1.045 377 A HN 0.734 nan 8.150 nan 0.000 0.489 378 V N 3.338 123.243 119.914 -0.015 0.000 2.709 378 V HA 0.446 4.566 4.120 -0.000 0.000 0.308 378 V C -0.664 175.423 176.094 -0.012 0.000 1.062 378 V CA -0.275 62.017 62.300 -0.014 0.000 0.901 378 V CB 1.763 33.577 31.823 -0.015 0.000 1.003 378 V HN 0.733 nan 8.190 nan 0.000 0.425 379 I N 4.590 125.153 120.570 -0.011 0.000 2.418 379 I HA 0.503 4.673 4.170 -0.000 0.000 0.287 379 I C -0.259 175.854 176.117 -0.007 0.000 1.008 379 I CA -0.643 60.652 61.300 -0.009 0.000 1.104 379 I CB 1.612 39.607 38.000 -0.008 0.000 1.264 379 I HN 0.403 nan 8.210 nan 0.000 0.438 380 K N 6.121 126.516 120.400 -0.007 0.000 2.354 380 K HA 0.444 4.764 4.320 -0.000 0.000 0.257 380 K C -0.600 175.997 176.600 -0.005 0.000 1.062 380 K CA -0.634 55.649 56.287 -0.006 0.000 0.971 380 K CB 1.588 34.083 32.500 -0.007 0.000 1.305 380 K HN 0.362 nan 8.250 nan 0.000 0.449 381 V N 1.480 121.392 119.914 -0.004 0.000 2.763 381 V HA 0.193 4.313 4.120 -0.000 0.000 0.306 381 V C 0.946 177.038 176.094 -0.003 0.000 1.059 381 V CA -0.295 62.003 62.300 -0.003 0.000 1.138 381 V CB 0.956 32.778 31.823 -0.002 0.000 0.940 381 V HN 0.896 nan 8.190 nan 0.000 0.489 382 G N 2.134 110.932 108.800 -0.003 0.000 2.737 382 G HA2 0.778 4.738 3.960 -0.000 0.000 0.290 382 G HA3 0.778 4.738 3.960 -0.000 0.000 0.290 382 G C -0.720 174.178 174.900 -0.003 0.000 1.482 382 G CA 0.170 45.268 45.100 -0.003 0.000 1.017 382 G HN 1.231 nan 8.290 nan 0.000 0.529 383 A N 1.171 123.989 122.820 -0.003 0.000 2.599 383 A HA 0.931 5.250 4.320 -0.000 0.000 0.290 383 A C -0.072 177.511 177.584 -0.003 0.000 1.101 383 A CA -0.168 51.867 52.037 -0.003 0.000 0.674 383 A CB 0.926 19.925 19.000 -0.003 0.000 1.277 383 A HN 2.224 nan 8.150 nan 0.000 0.419 384 A N 1.459 124.277 122.820 -0.002 0.000 2.492 384 A HA 0.606 4.926 4.320 -0.000 0.000 0.254 384 A C 0.919 178.501 177.584 -0.002 0.000 1.091 384 A CA 0.993 53.029 52.037 -0.002 0.000 0.768 384 A CB -1.367 17.631 19.000 -0.002 0.000 1.028 384 A HN 2.806 nan 8.150 nan 0.000 0.498 385 T N -0.123 114.430 114.554 -0.002 0.000 0.541 385 T HA -0.226 4.124 4.350 -0.000 0.000 0.774 385 T C 0.045 174.743 174.700 -0.002 0.000 0.992 385 T CA 0.803 62.902 62.100 -0.002 0.000 4.077 385 T CB -0.579 68.287 68.868 -0.002 0.000 2.303 385 T HN 0.889 nan 8.240 nan 0.000 0.398 386 E N 0.003 120.201 120.200 -0.002 0.000 2.322 386 E HA 0.336 4.686 4.350 -0.000 0.000 0.195 386 E C 1.063 177.662 176.600 -0.003 0.000 1.198 386 E CA 0.403 56.801 56.400 -0.003 0.000 1.132 386 E CB -0.149 29.549 29.700 -0.003 0.000 1.213 386 E HN 0.543 nan 8.360 nan 0.000 0.450 387 V N -0.767 119.146 119.914 -0.003 0.000 3.159 387 V HA 0.050 4.170 4.120 -0.000 0.000 0.234 387 V C 1.097 177.190 176.094 -0.003 0.000 1.313 387 V CA 0.512 62.811 62.300 -0.003 0.000 1.271 387 V CB 0.533 32.355 31.823 -0.002 0.000 1.053 387 V HN 0.186 nan 8.190 nan 0.000 0.476 388 E N -0.369 119.829 120.200 -0.003 0.000 2.447 388 E HA 0.077 4.427 4.350 -0.000 0.000 0.195 388 E C 1.826 178.424 176.600 -0.003 0.000 1.028 388 E CA 0.240 56.639 56.400 -0.003 0.000 0.876 388 E CB 0.297 29.995 29.700 -0.003 0.000 0.885 388 E HN 0.412 nan 8.360 nan 0.000 0.500 389 M N 0.783 120.381 119.600 -0.003 0.000 2.160 389 M HA -0.068 4.411 4.480 -0.000 0.000 0.264 389 M C 1.879 178.177 176.300 -0.002 0.000 1.073 389 M CA 1.355 56.653 55.300 -0.002 0.000 1.142 389 M CB -0.009 32.589 32.600 -0.003 0.000 1.358 389 M HN -0.117 nan 8.290 nan 0.000 0.422 390 K N 0.224 120.623 120.400 -0.003 0.000 2.097 390 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 390 K C 1.897 178.495 176.600 -0.003 0.000 1.049 390 K CA 1.031 57.317 56.287 -0.003 0.000 0.933 390 K CB -0.297 32.202 32.500 -0.003 0.000 0.717 390 K HN 0.339 nan 8.250 nan 0.000 0.442 391 E N 1.238 121.436 120.200 -0.003 0.000 2.047 391 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 391 E C 1.928 178.527 176.600 -0.002 0.000 0.987 391 E CA 1.243 57.641 56.400 -0.003 0.000 0.799 391 E CB 0.092 29.790 29.700 -0.003 0.000 0.752 391 E HN 0.160 nan 8.360 nan 0.000 0.449 392 K N 0.775 121.174 120.400 -0.002 0.000 2.057 392 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 392 K C 2.295 178.896 176.600 0.001 0.000 1.049 392 K CA 1.496 57.783 56.287 -0.001 0.000 0.931 392 K CB -0.075 32.424 32.500 -0.001 0.000 0.714 392 K HN -0.098 nan 8.250 nan 0.000 0.440 393 K N 0.045 120.446 120.400 0.001 0.000 2.113 393 K HA -0.176 4.143 4.320 -0.000 0.000 0.208 393 K C 1.822 178.425 176.600 0.005 0.000 1.047 393 K CA 1.408 57.697 56.287 0.003 0.000 0.928 393 K CB -0.136 32.365 32.500 0.002 0.000 0.716 393 K HN 0.231 nan 8.250 nan 0.000 0.446 394 A N 0.938 123.760 122.820 0.002 0.000 1.930 394 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 394 A C 1.986 179.571 177.584 0.002 0.000 1.175 394 A CA 1.110 53.147 52.037 0.000 0.000 0.627 394 A CB -0.299 18.699 19.000 -0.004 0.000 0.815 394 A HN 0.275 nan 8.150 nan 0.000 0.443 395 R N -0.764 119.737 120.500 0.002 0.000 2.193 395 R HA 0.020 4.360 4.340 -0.000 0.000 0.213 395 R C 1.896 178.202 176.300 0.011 0.000 1.055 395 R CA 1.018 57.120 56.100 0.004 0.000 0.995 395 R CB -0.231 30.070 30.300 0.001 0.000 0.893 395 R HN 0.418 nan 8.270 nan 0.000 0.459 396 V N 0.988 120.909 119.914 0.013 0.000 2.255 396 V HA -0.197 3.923 4.120 -0.000 0.000 0.243 396 V C 1.965 178.079 176.094 0.035 0.000 1.038 396 V CA 1.620 63.931 62.300 0.018 0.000 1.008 396 V CB -0.397 31.433 31.823 0.012 0.000 0.645 396 V HN 0.289 nan 8.190 nan 0.000 0.449 397 E N 0.182 120.407 120.200 0.041 0.000 2.086 397 E HA -0.338 4.012 4.350 -0.000 0.000 0.205 397 E C 1.911 178.586 176.600 0.125 0.000 1.027 397 E CA 2.214 58.662 56.400 0.081 0.000 0.830 397 E CB -0.251 29.484 29.700 0.059 0.000 0.751 397 E HN 0.645 nan 8.360 nan 0.000 0.456 398 D N -0.496 119.939 120.400 0.059 0.000 2.144 398 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 398 D C 1.733 178.077 176.300 0.073 0.000 0.978 398 D CA 1.292 55.316 54.000 0.040 0.000 0.833 398 D CB -0.017 40.781 40.800 -0.004 0.000 0.961 398 D HN 0.222 nan 8.370 nan 0.000 0.470 399 A N 0.140 122.992 122.820 0.053 0.000 1.929 399 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 399 A C 2.056 179.669 177.584 0.047 0.000 1.176 399 A CA 0.597 52.659 52.037 0.042 0.000 0.628 399 A CB -0.758 18.255 19.000 0.022 0.000 0.816 399 A HN 0.263 nan 8.150 nan 0.000 0.444 400 L N -0.823 120.428 121.223 0.047 0.000 1.990 400 L HA -0.275 4.065 4.340 -0.000 0.000 0.213 400 L C 2.518 179.392 176.870 0.008 0.000 1.072 400 L CA 2.269 57.118 54.840 0.015 0.000 0.755 400 L CB -0.568 41.492 42.059 0.001 0.000 0.889 400 L HN 0.525 nan 8.230 nan 0.000 0.432 401 H N -0.723 118.342 119.070 -0.010 0.000 2.390 401 H HA -0.173 4.383 4.556 -0.000 0.000 0.298 401 H C 2.078 177.402 175.328 -0.006 0.000 1.106 401 H CA 1.524 57.567 56.048 -0.009 0.000 1.297 401 H CB 0.008 29.764 29.762 -0.011 0.000 1.375 401 H HN 0.600 nan 8.280 nan 0.000 0.509 402 A N 0.045 122.931 122.820 0.110 0.000 1.929 402 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 402 A C 2.578 180.180 177.584 0.030 0.000 1.176 402 A CA 1.651 53.723 52.037 0.059 0.000 0.628 402 A CB -0.563 18.463 19.000 0.043 0.000 0.816 402 A HN 0.349 nan 8.150 nan 0.000 0.444 403 T N -0.536 114.028 114.554 0.017 0.000 2.857 403 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 403 T C 2.110 176.803 174.700 -0.010 0.000 1.048 403 T CA 0.946 63.047 62.100 0.001 0.000 1.139 403 T CB -0.202 68.664 68.868 -0.004 0.000 0.874 403 T HN 0.286 nan 8.240 nan 0.000 0.455 404 R N 1.279 121.762 120.500 -0.028 0.000 2.083 404 R HA 0.018 4.358 4.340 -0.000 0.000 0.237 404 R C 2.641 178.929 176.300 -0.019 0.000 1.137 404 R CA 1.616 57.689 56.100 -0.045 0.000 0.951 404 R CB -0.900 29.338 30.300 -0.104 0.000 0.851 404 R HN 0.443 nan 8.270 nan 0.000 0.434 405 A N 0.290 123.110 122.820 0.000 0.000 2.014 405 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 405 A C 2.190 179.782 177.584 0.013 0.000 1.163 405 A CA 1.322 53.368 52.037 0.015 0.000 0.652 405 A CB -0.262 18.758 19.000 0.033 0.000 0.808 405 A HN 0.354 nan 8.150 nan 0.000 0.449 406 A N -0.674 122.152 122.820 0.010 0.000 2.066 406 A HA 0.156 4.476 4.320 -0.000 0.000 0.218 406 A C 2.005 179.592 177.584 0.005 0.000 1.157 406 A CA 1.542 53.584 52.037 0.009 0.000 0.670 406 A CB -0.367 18.638 19.000 0.008 0.000 0.804 406 A HN 0.323 nan 8.150 nan 0.000 0.453 407 V N -0.554 119.360 119.914 0.000 0.000 2.575 407 V HA -0.115 4.005 4.120 -0.000 0.000 0.242 407 V C 2.248 178.342 176.094 0.000 0.000 1.045 407 V CA 1.603 63.902 62.300 -0.002 0.000 1.065 407 V CB -0.535 31.283 31.823 -0.008 0.000 0.717 407 V HN 0.571 nan 8.190 nan 0.000 0.467 408 E N 0.171 120.371 120.200 0.001 0.000 2.047 408 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 408 E C 1.869 178.474 176.600 0.008 0.000 0.987 408 E CA 1.465 57.867 56.400 0.004 0.000 0.799 408 E CB 0.072 29.774 29.700 0.005 0.000 0.752 408 E HN 0.639 nan 8.360 nan 0.000 0.449 409 E N -1.061 119.146 120.200 0.011 0.000 2.474 409 E HA 0.209 4.559 4.350 -0.000 0.000 0.215 409 E C 0.513 177.121 176.600 0.013 0.000 0.867 409 E CA 0.278 56.685 56.400 0.013 0.000 1.135 409 E CB 1.766 31.477 29.700 0.018 0.000 1.147 409 E HN 0.199 nan 8.360 nan 0.000 0.534 410 G N 1.222 110.029 108.800 0.012 0.000 2.466 410 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.316 410 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.316 410 G C -0.798 174.111 174.900 0.014 0.000 1.270 410 G CA -0.524 44.584 45.100 0.012 0.000 0.982 410 G HN 0.393 nan 8.290 nan 0.000 0.506 411 V N -2.007 117.916 119.914 0.014 0.000 2.588 411 V HA 0.889 5.009 4.120 -0.000 0.000 0.304 411 V C 0.756 176.860 176.094 0.017 0.000 1.042 411 V CA -0.070 62.239 62.300 0.015 0.000 0.877 411 V CB 0.779 32.610 31.823 0.013 0.000 0.996 411 V HN 2.175 nan 8.190 nan 0.000 0.425 412 V N 1.551 121.476 119.914 0.018 0.000 3.302 412 V HA 0.989 5.108 4.120 -0.000 0.000 0.316 412 V C 0.804 176.910 176.094 0.020 0.000 1.111 412 V CA -0.414 61.898 62.300 0.020 0.000 1.029 412 V CB 1.318 33.154 31.823 0.022 0.000 1.170 412 V HN 1.650 nan 8.190 nan 0.000 0.452 413 A N 0.738 123.572 122.820 0.023 0.000 2.454 413 A HA 0.665 4.985 4.320 -0.000 0.000 0.260 413 A C 0.809 178.404 177.584 0.019 0.000 1.106 413 A CA 0.350 52.401 52.037 0.023 0.000 0.780 413 A CB -0.465 18.554 19.000 0.032 0.000 1.044 413 A HN 1.690 nan 8.150 nan 0.000 0.498 414 G N 0.837 109.644 108.800 0.012 0.000 2.486 414 G HA2 0.488 4.448 3.960 -0.000 0.000 0.272 414 G HA3 0.488 4.448 3.960 -0.000 0.000 0.272 414 G C 1.179 176.084 174.900 0.009 0.000 1.426 414 G CA 0.031 45.136 45.100 0.008 0.000 1.058 414 G HN 2.239 nan 8.290 nan 0.000 0.531 415 G N -2.382 106.422 108.800 0.007 0.000 2.155 415 G HA2 0.203 4.163 3.960 -0.000 0.000 0.257 415 G HA3 0.203 4.163 3.960 -0.000 0.000 0.257 415 G C 1.530 176.445 174.900 0.027 0.000 0.983 415 G CA 1.105 46.214 45.100 0.014 0.000 0.676 415 G HN 2.519 nan 8.290 nan 0.000 0.528 416 G N -2.044 106.769 108.800 0.023 0.000 2.153 416 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.252 416 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.252 416 G C 1.777 176.695 174.900 0.030 0.000 0.994 416 G CA 1.964 47.079 45.100 0.025 0.000 0.698 416 G HN 2.243 nan 8.290 nan 0.000 0.521 417 V N -2.859 117.074 119.914 0.032 0.000 2.788 417 V HA 0.453 4.573 4.120 -0.000 0.000 0.251 417 V C 2.748 178.865 176.094 0.040 0.000 1.068 417 V CA 1.649 63.973 62.300 0.040 0.000 1.090 417 V CB -0.593 31.255 31.823 0.042 0.000 0.710 417 V HN 1.296 nan 8.190 nan 0.000 0.467 418 A N 1.299 124.139 122.820 0.033 0.000 1.883 418 A HA -0.099 4.220 4.320 -0.000 0.000 0.217 418 A C 2.205 179.807 177.584 0.030 0.000 1.186 418 A CA 2.413 54.469 52.037 0.032 0.000 0.624 418 A CB -0.732 18.284 19.000 0.027 0.000 0.822 418 A HN 0.592 nan 8.150 nan 0.000 0.444 419 L N -1.077 120.163 121.223 0.028 0.000 2.056 419 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 419 L C 2.449 179.335 176.870 0.028 0.000 1.078 419 L CA 1.183 56.039 54.840 0.026 0.000 0.749 419 L CB -0.332 41.742 42.059 0.025 0.000 0.901 419 L HN 0.432 nan 8.230 nan 0.000 0.433 420 I N -0.553 120.036 120.570 0.031 0.000 2.676 420 I HA -0.228 3.942 4.170 -0.000 0.000 0.259 420 I C 2.631 178.771 176.117 0.038 0.000 1.194 420 I CA 0.632 61.952 61.300 0.034 0.000 1.473 420 I CB 0.067 38.089 38.000 0.037 0.000 1.096 420 I HN 0.173 nan 8.210 nan 0.000 0.443 421 R N 0.019 120.543 120.500 0.041 0.000 2.093 421 R HA -0.022 4.318 4.340 -0.000 0.000 0.224 421 R C 1.973 178.293 176.300 0.032 0.000 1.101 421 R CA 1.316 57.442 56.100 0.042 0.000 0.979 421 R CB -0.663 29.665 30.300 0.047 0.000 0.877 421 R HN 0.184 nan 8.270 nan 0.000 0.441 422 V N 0.831 120.762 119.914 0.028 0.000 2.407 422 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 422 V C 2.273 178.379 176.094 0.020 0.000 1.055 422 V CA 1.822 64.135 62.300 0.023 0.000 1.049 422 V CB -0.815 31.020 31.823 0.021 0.000 0.662 422 V HN 0.470 nan 8.190 nan 0.000 0.455 423 A N 0.832 123.665 122.820 0.022 0.000 1.883 423 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 423 A C 2.539 180.134 177.584 0.018 0.000 1.186 423 A CA 2.529 54.577 52.037 0.019 0.000 0.624 423 A CB -0.825 18.188 19.000 0.020 0.000 0.822 423 A HN 0.703 nan 8.150 nan 0.000 0.444 424 S N -0.631 115.082 115.700 0.022 0.000 2.453 424 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 424 S C 1.598 176.208 174.600 0.016 0.000 1.005 424 S CA 1.320 59.532 58.200 0.020 0.000 0.949 424 S CB -0.236 62.978 63.200 0.024 0.000 0.774 424 S HN 0.591 nan 8.310 nan 0.000 0.510 425 K N 0.382 120.792 120.400 0.017 0.000 2.426 425 K HA 0.340 4.660 4.320 -0.000 0.000 0.193 425 K C 0.656 177.263 176.600 0.012 0.000 1.028 425 K CA 0.239 56.535 56.287 0.014 0.000 1.047 425 K CB 0.014 32.523 32.500 0.016 0.000 0.821 425 K HN 0.387 nan 8.250 nan 0.000 0.513 426 L N -0.292 120.938 121.223 0.012 0.000 3.014 426 L HA 0.253 4.593 4.340 -0.000 0.000 0.263 426 L C 1.434 178.309 176.870 0.009 0.000 1.207 426 L CA -0.190 54.655 54.840 0.009 0.000 1.017 426 L CB 0.585 42.649 42.059 0.010 0.000 1.360 426 L HN 0.029 nan 8.230 nan 0.000 0.560 427 A N -0.451 122.375 122.820 0.009 0.000 2.067 427 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 427 A C 1.544 179.132 177.584 0.006 0.000 1.158 427 A CA 1.358 53.400 52.037 0.008 0.000 0.661 427 A CB -0.138 18.867 19.000 0.008 0.000 0.801 427 A HN 0.289 nan 8.150 nan 0.000 0.452 428 D N -1.045 119.358 120.400 0.006 0.000 2.340 428 D HA 0.127 4.767 4.640 -0.000 0.000 0.220 428 D C 0.200 176.502 176.300 0.004 0.000 1.039 428 D CA -0.053 53.950 54.000 0.005 0.000 0.866 428 D CB -0.056 40.746 40.800 0.004 0.000 0.913 428 D HN 0.340 nan 8.370 nan 0.000 0.523 429 L N 1.661 122.886 121.223 0.005 0.000 2.410 429 L HA 0.162 4.502 4.340 -0.000 0.000 0.273 429 L C 0.097 176.969 176.870 0.004 0.000 1.152 429 L CA 0.433 55.275 54.840 0.004 0.000 0.855 429 L CB 0.240 42.302 42.059 0.005 0.000 1.129 429 L HN -0.242 nan 8.230 nan 0.000 0.463 430 R N 3.003 123.505 120.500 0.003 0.000 2.867 430 R HA 0.633 4.973 4.340 -0.000 0.000 0.268 430 R C -0.062 176.239 176.300 0.002 0.000 1.014 430 R CA -0.275 55.827 56.100 0.003 0.000 0.946 430 R CB 1.505 31.807 30.300 0.003 0.000 1.208 430 R HN 0.809 nan 8.270 nan 0.000 0.477 431 G N -0.109 108.693 108.800 0.002 0.000 3.075 431 G HA2 0.141 4.101 3.960 -0.000 0.000 0.156 431 G HA3 0.141 4.101 3.960 -0.000 0.000 0.156 431 G C 0.205 175.106 174.900 0.002 0.000 1.403 431 G CA 0.051 45.152 45.100 0.002 0.000 1.033 431 G HN 0.440 nan 8.290 nan 0.000 0.589 432 Q N -0.674 119.127 119.800 0.002 0.000 2.442 432 Q HA 0.164 4.504 4.340 -0.000 0.000 0.228 432 Q C 0.013 176.014 176.000 0.002 0.000 0.902 432 Q CA 0.287 56.091 55.803 0.001 0.000 0.933 432 Q CB 0.446 29.185 28.738 0.001 0.000 1.071 432 Q HN 0.625 nan 8.270 nan 0.000 0.562 433 N N -1.265 117.436 118.700 0.002 0.000 2.629 433 N HA 0.068 4.808 4.740 -0.000 0.000 0.279 433 N C 0.127 175.638 175.510 0.002 0.000 1.344 433 N CA -0.482 52.569 53.050 0.002 0.000 0.789 433 N CB 0.515 39.003 38.487 0.002 0.000 1.508 433 N HN -0.261 nan 8.380 nan 0.000 0.516 434 E N -0.334 119.868 120.200 0.002 0.000 2.118 434 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 434 E C 0.412 177.014 176.600 0.003 0.000 0.992 434 E CA 1.705 58.106 56.400 0.002 0.000 0.804 434 E CB -0.320 29.381 29.700 0.002 0.000 0.741 434 E HN 0.591 nan 8.360 nan 0.000 0.458 435 D N -0.083 120.318 120.400 0.003 0.000 2.144 435 D HA -0.142 4.497 4.640 -0.000 0.000 0.199 435 D C 1.857 178.159 176.300 0.004 0.000 0.984 435 D CA 0.892 54.894 54.000 0.003 0.000 0.834 435 D CB -0.195 40.607 40.800 0.004 0.000 0.955 435 D HN 0.390 nan 8.370 nan 0.000 0.465 436 Q N 0.074 119.876 119.800 0.003 0.000 2.123 436 Q HA -0.060 4.280 4.340 -0.000 0.000 0.199 436 Q C 1.772 177.774 176.000 0.003 0.000 0.966 436 Q CA 0.538 56.343 55.803 0.003 0.000 0.845 436 Q CB 0.044 28.784 28.738 0.003 0.000 0.907 436 Q HN 0.234 nan 8.270 nan 0.000 0.439 437 N N 0.132 118.834 118.700 0.003 0.000 2.166 437 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 437 N C 1.811 177.324 175.510 0.004 0.000 1.019 437 N CA 1.040 54.092 53.050 0.003 0.000 0.856 437 N CB -0.129 38.360 38.487 0.003 0.000 0.993 437 N HN 0.063 nan 8.380 nan 0.000 0.426 438 V N 0.563 120.480 119.914 0.004 0.000 2.453 438 V HA -0.062 4.058 4.120 -0.000 0.000 0.247 438 V C 2.450 178.547 176.094 0.005 0.000 1.048 438 V CA 1.718 64.021 62.300 0.005 0.000 1.049 438 V CB -1.148 30.678 31.823 0.004 0.000 0.672 438 V HN 0.294 nan 8.190 nan 0.000 0.457 439 G N 0.390 109.193 108.800 0.005 0.000 2.469 439 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.220 439 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.220 439 G C 1.549 176.452 174.900 0.006 0.000 1.136 439 G CA 1.217 46.320 45.100 0.005 0.000 0.759 439 G HN 0.514 nan 8.290 nan 0.000 0.562 440 I N 0.182 120.755 120.570 0.005 0.000 2.202 440 I HA -0.085 4.085 4.170 -0.000 0.000 0.242 440 I C 2.601 178.721 176.117 0.006 0.000 1.091 440 I CA 0.930 62.233 61.300 0.005 0.000 1.368 440 I CB -0.095 37.908 38.000 0.005 0.000 1.058 440 I HN -0.054 nan 8.210 nan 0.000 0.410 441 K N 0.614 121.018 120.400 0.006 0.000 2.209 441 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 441 K C 2.140 178.744 176.600 0.007 0.000 1.048 441 K CA 0.924 57.215 56.287 0.007 0.000 0.940 441 K CB -0.506 31.998 32.500 0.006 0.000 0.729 441 K HN 0.222 nan 8.250 nan 0.000 0.451 442 V N 1.476 121.394 119.914 0.007 0.000 2.307 442 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 442 V C 2.439 178.539 176.094 0.009 0.000 1.045 442 V CA 1.987 64.291 62.300 0.008 0.000 1.024 442 V CB -0.676 31.151 31.823 0.008 0.000 0.651 442 V HN 0.284 nan 8.190 nan 0.000 0.449 443 A N -0.469 122.357 122.820 0.009 0.000 1.930 443 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 443 A C 2.169 179.760 177.584 0.011 0.000 1.175 443 A CA 1.572 53.615 52.037 0.010 0.000 0.627 443 A CB -0.460 18.545 19.000 0.009 0.000 0.815 443 A HN 0.516 nan 8.150 nan 0.000 0.443 444 L N -1.380 119.849 121.223 0.010 0.000 2.156 444 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 444 L C 2.670 179.547 176.870 0.012 0.000 1.095 444 L CA 0.969 55.816 54.840 0.012 0.000 0.770 444 L CB -0.368 41.698 42.059 0.011 0.000 0.914 444 L HN 0.300 nan 8.230 nan 0.000 0.439 445 R N -0.198 120.309 120.500 0.011 0.000 2.276 445 R HA 0.033 4.372 4.340 -0.000 0.000 0.203 445 R C 2.185 178.492 176.300 0.011 0.000 1.017 445 R CA 0.775 56.881 56.100 0.010 0.000 1.010 445 R CB -0.081 30.224 30.300 0.009 0.000 0.900 445 R HN 0.300 nan 8.270 nan 0.000 0.469 446 A N 0.407 123.234 122.820 0.012 0.000 2.021 446 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 446 A C 1.916 179.509 177.584 0.015 0.000 1.163 446 A CA 0.615 52.660 52.037 0.013 0.000 0.676 446 A CB -0.096 18.913 19.000 0.014 0.000 0.818 446 A HN 0.150 nan 8.150 nan 0.000 0.453 447 M N -0.495 119.114 119.600 0.016 0.000 2.476 447 M HA -0.059 4.421 4.480 -0.000 0.000 0.262 447 M C 1.580 177.891 176.300 0.018 0.000 1.079 447 M CA 0.923 56.234 55.300 0.018 0.000 1.104 447 M CB -0.136 32.475 32.600 0.019 0.000 1.409 447 M HN 0.431 nan 8.290 nan 0.000 0.467 448 E N 0.397 120.606 120.200 0.016 0.000 2.216 448 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 448 E C 2.141 178.747 176.600 0.011 0.000 0.988 448 E CA 0.836 57.245 56.400 0.015 0.000 0.834 448 E CB -0.038 29.669 29.700 0.012 0.000 0.772 448 E HN 0.514 nan 8.360 nan 0.000 0.479 449 A N 2.183 125.010 122.820 0.011 0.000 1.902 449 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 449 A C -0.329 177.260 177.584 0.008 0.000 1.181 449 A CA 1.118 53.159 52.037 0.008 0.000 0.623 449 A CB -1.367 17.638 19.000 0.009 0.000 0.818 449 A HN 0.127 nan 8.150 nan 0.000 0.443 450 P HA -0.183 nan 4.420 nan 0.000 0.214 450 P C 1.805 179.113 177.300 0.012 0.000 1.163 450 P CA 1.048 64.156 63.100 0.013 0.000 0.889 450 P CB -0.131 31.579 31.700 0.017 0.000 0.790 451 L N -0.700 120.531 121.223 0.014 0.000 1.989 451 L HA -0.193 4.146 4.340 -0.000 0.000 0.211 451 L C 2.502 179.371 176.870 -0.002 0.000 1.071 451 L CA 1.787 56.636 54.840 0.014 0.000 0.749 451 L CB -0.363 41.707 42.059 0.019 0.000 0.890 451 L HN -0.201 nan 8.230 nan 0.000 0.431 452 R N -0.848 119.647 120.500 -0.007 0.000 2.127 452 R HA -0.242 4.097 4.340 -0.000 0.000 0.238 452 R C 2.292 178.582 176.300 -0.017 0.000 1.134 452 R CA 1.696 57.784 56.100 -0.019 0.000 0.975 452 R CB -0.278 30.015 30.300 -0.012 0.000 0.865 452 R HN 0.409 nan 8.270 nan 0.000 0.447 453 Q N 0.727 120.524 119.800 -0.006 0.000 2.172 453 Q HA -0.009 4.331 4.340 -0.000 0.000 0.200 453 Q C 1.768 177.768 176.000 -0.001 0.000 0.964 453 Q CA 1.273 57.075 55.803 -0.003 0.000 0.855 453 Q CB 0.070 28.809 28.738 0.002 0.000 0.918 453 Q HN 0.339 nan 8.270 nan 0.000 0.444 454 I N -0.863 119.711 120.570 0.006 0.000 2.252 454 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 454 I C 1.909 178.038 176.117 0.020 0.000 1.102 454 I CA 0.721 62.032 61.300 0.019 0.000 1.385 454 I CB -0.260 37.761 38.000 0.035 0.000 1.064 454 I HN 0.004 nan 8.210 nan 0.000 0.414 455 V N 0.716 120.622 119.914 -0.013 0.000 2.407 455 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 455 V C 2.400 178.466 176.094 -0.046 0.000 1.055 455 V CA 1.430 63.689 62.300 -0.069 0.000 1.049 455 V CB -0.520 31.197 31.823 -0.177 0.000 0.662 455 V HN 0.344 nan 8.190 nan 0.000 0.455 456 L N 0.953 122.158 121.223 -0.031 0.000 2.046 456 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 456 L C 2.144 179.009 176.870 -0.008 0.000 1.077 456 L CA 1.927 56.755 54.840 -0.021 0.000 0.747 456 L CB -0.787 41.264 42.059 -0.015 0.000 0.896 456 L HN 0.332 nan 8.230 nan 0.000 0.432 457 N N -1.578 117.122 118.700 -0.001 0.000 2.309 457 N HA -0.172 4.568 4.740 -0.000 0.000 0.182 457 N C 1.823 177.339 175.510 0.011 0.000 1.018 457 N CA 1.345 54.398 53.050 0.005 0.000 0.876 457 N CB -0.950 37.541 38.487 0.007 0.000 0.972 457 N HN 0.456 nan 8.380 nan 0.000 0.434 458 C N -0.115 119.198 119.300 0.021 0.000 2.539 458 C HA 0.305 4.765 4.460 -0.000 0.000 0.271 458 C C 1.815 176.820 174.990 0.025 0.000 1.412 458 C CA 0.800 59.842 59.018 0.039 0.000 1.729 458 C CB -1.577 26.223 27.740 0.100 0.000 1.739 458 C HN 0.635 nan 8.230 nan 0.000 0.570 459 G N 0.411 109.215 108.800 0.006 0.000 2.284 459 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.247 459 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.247 459 G C 0.024 174.918 174.900 -0.010 0.000 1.012 459 G CA 0.395 45.495 45.100 0.001 0.000 0.618 459 G HN 0.574 nan 8.290 nan 0.000 0.521 460 E N 1.396 121.583 120.200 -0.022 0.000 2.392 460 E HA 0.329 4.679 4.350 -0.000 0.000 0.259 460 E C 0.395 176.954 176.600 -0.068 0.000 1.108 460 E CA -0.231 56.139 56.400 -0.051 0.000 0.916 460 E CB 0.464 30.103 29.700 -0.102 0.000 0.989 460 E HN 0.602 nan 8.360 nan 0.000 0.432 461 E N 3.139 123.305 120.200 -0.058 0.000 2.265 461 E HA 0.004 4.353 4.350 -0.000 0.000 0.272 461 E C -1.392 175.164 176.600 -0.074 0.000 1.067 461 E CA -1.350 55.020 56.400 -0.050 0.000 0.900 461 E CB 0.674 30.357 29.700 -0.029 0.000 1.017 461 E HN 0.232 nan 8.360 nan 0.000 0.431 462 P HA -0.199 nan 4.420 nan 0.000 0.217 462 P C 1.103 178.371 177.300 -0.053 0.000 1.150 462 P CA 1.174 64.230 63.100 -0.073 0.000 0.832 462 P CB 0.238 31.910 31.700 -0.047 0.000 0.787 463 S N 0.052 115.732 115.700 -0.033 0.000 2.370 463 S HA -0.116 4.354 4.470 -0.000 0.000 0.226 463 S C 2.158 176.749 174.600 -0.015 0.000 1.033 463 S CA 1.545 59.734 58.200 -0.019 0.000 1.011 463 S CB -1.878 61.314 63.200 -0.012 0.000 0.852 463 S HN -0.007 nan 8.310 nan 0.000 0.457 464 V N 1.621 121.523 119.914 -0.020 0.000 2.307 464 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 464 V C 2.596 178.693 176.094 0.005 0.000 1.045 464 V CA 1.442 63.739 62.300 -0.006 0.000 1.024 464 V CB -0.816 31.005 31.823 -0.003 0.000 0.651 464 V HN 0.420 nan 8.190 nan 0.000 0.449 465 V N 0.377 120.270 119.914 -0.035 0.000 2.307 465 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 465 V C 2.732 178.842 176.094 0.027 0.000 1.045 465 V CA 1.915 64.198 62.300 -0.028 0.000 1.024 465 V CB -1.072 30.556 31.823 -0.325 0.000 0.651 465 V HN 0.538 nan 8.190 nan 0.000 0.449 466 A N 0.239 123.054 122.820 -0.008 0.000 1.933 466 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 466 A C 2.034 179.640 177.584 0.036 0.000 1.175 466 A CA 2.314 54.362 52.037 0.018 0.000 0.628 466 A CB -0.842 18.160 19.000 0.002 0.000 0.814 466 A HN 0.604 nan 8.150 nan 0.000 0.444 467 N N -0.740 117.975 118.700 0.025 0.000 2.244 467 N HA -0.095 4.645 4.740 -0.000 0.000 0.183 467 N C 1.588 177.119 175.510 0.034 0.000 1.016 467 N CA 1.958 55.023 53.050 0.025 0.000 0.866 467 N CB -0.182 38.313 38.487 0.012 0.000 0.980 467 N HN 0.439 nan 8.380 nan 0.000 0.430 468 T N -1.073 113.507 114.554 0.043 0.000 2.896 468 T HA -0.002 4.347 4.350 -0.000 0.000 0.263 468 T C 1.935 176.713 174.700 0.129 0.000 1.050 468 T CA 0.770 62.889 62.100 0.030 0.000 1.140 468 T CB -0.240 68.582 68.868 -0.077 0.000 0.877 468 T HN -0.020 nan 8.240 nan 0.000 0.457 469 V N 1.586 121.595 119.914 0.157 0.000 2.427 469 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 469 V C 2.448 178.649 176.094 0.179 0.000 1.051 469 V CA 1.434 63.854 62.300 0.201 0.000 1.048 469 V CB -0.476 31.427 31.823 0.135 0.000 0.666 469 V HN 0.440 nan 8.190 nan 0.000 0.456 470 K N 0.186 120.651 120.400 0.107 0.000 2.148 470 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 470 K C 2.239 178.876 176.600 0.062 0.000 1.050 470 K CA 1.237 57.569 56.287 0.075 0.000 0.942 470 K CB -0.478 32.050 32.500 0.047 0.000 0.724 470 K HN 0.559 nan 8.250 nan 0.000 0.446 471 G N 1.231 110.064 108.800 0.055 0.000 2.402 471 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.216 471 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.216 471 G C 0.762 175.656 174.900 -0.010 0.000 1.162 471 G CA 0.659 45.768 45.100 0.015 0.000 0.777 471 G HN 0.370 nan 8.290 nan 0.000 0.539 472 G N -0.613 108.189 108.800 0.003 0.000 2.572 472 G HA2 0.467 4.427 3.960 -0.000 0.000 0.261 472 G HA3 0.467 4.427 3.960 -0.000 0.000 0.261 472 G C -1.070 173.845 174.900 0.025 0.000 1.197 472 G CA -0.355 44.682 45.100 -0.105 0.000 0.870 472 G HN 0.142 nan 8.290 nan 0.000 0.548 473 D N -0.977 119.413 120.400 -0.017 0.000 2.419 473 D HA 0.613 5.253 4.640 -0.000 0.000 0.234 473 D C 0.815 177.158 176.300 0.072 0.000 1.014 473 D CA 0.948 54.969 54.000 0.036 0.000 0.919 473 D CB 1.924 42.726 40.800 0.004 0.000 1.366 473 D HN 0.880 nan 8.370 nan 0.000 0.490 474 G N 1.391 110.237 108.800 0.077 0.000 2.496 474 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.243 474 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.243 474 G C 0.079 175.044 174.900 0.108 0.000 1.176 474 G CA -0.368 44.780 45.100 0.080 0.000 0.940 474 G HN 0.590 nan 8.290 nan 0.000 0.573 475 N N 0.502 119.268 118.700 0.110 0.000 2.346 475 N HA 0.176 4.916 4.740 -0.000 0.000 0.225 475 N C -0.289 175.309 175.510 0.146 0.000 1.144 475 N CA -0.030 53.081 53.050 0.103 0.000 0.837 475 N CB 0.323 38.852 38.487 0.070 0.000 1.069 475 N HN 0.442 nan 8.380 nan 0.000 0.487 476 Y N 1.120 121.451 120.300 0.052 0.000 2.365 476 Y HA 0.430 4.980 4.550 -0.000 0.000 0.340 476 Y C 0.443 176.410 175.900 0.111 0.000 1.016 476 Y CA -0.229 57.916 58.100 0.075 0.000 1.196 476 Y CB 0.466 38.962 38.460 0.060 0.000 1.167 476 Y HN -0.012 nan 8.280 nan 0.000 0.509 477 G N 4.165 112.772 108.800 -0.322 0.000 2.870 477 G HA2 0.253 4.213 3.960 -0.000 0.000 0.299 477 G HA3 0.253 4.213 3.960 -0.000 0.000 0.299 477 G C -2.422 172.386 174.900 -0.154 0.000 1.324 477 G CA -0.892 44.091 45.100 -0.195 0.000 0.808 477 G HN 0.515 nan 8.290 nan 0.000 0.535 478 Y N 1.288 121.471 120.300 -0.196 0.000 2.335 478 Y HA 0.576 5.126 4.550 -0.000 0.000 0.338 478 Y C -0.233 175.526 175.900 -0.235 0.000 0.977 478 Y CA -1.228 56.678 58.100 -0.323 0.000 1.114 478 Y CB 1.615 39.873 38.460 -0.336 0.000 1.182 478 Y HN 0.411 nan 8.280 nan 0.000 0.463 479 N N 4.587 122.812 118.700 -0.792 0.000 2.437 479 N HA 0.226 4.966 4.740 -0.000 0.000 0.243 479 N C 0.289 175.275 175.510 -0.873 0.000 1.041 479 N CA 0.516 53.203 53.050 -0.605 0.000 0.940 479 N CB 1.550 39.795 38.487 -0.404 0.000 1.133 479 N HN 0.914 nan 8.380 nan 0.000 0.506 480 A N 3.694 126.250 122.820 -0.440 0.000 2.014 480 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 480 A C 1.985 179.479 177.584 -0.149 0.000 1.163 480 A CA 1.382 53.310 52.037 -0.180 0.000 0.652 480 A CB -0.395 18.639 19.000 0.057 0.000 0.808 480 A HN 0.696 nan 8.150 nan 0.000 0.449 481 A N -0.178 122.548 122.820 -0.157 0.000 1.898 481 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 481 A C 2.287 179.799 177.584 -0.121 0.000 1.181 481 A CA 2.295 54.268 52.037 -0.108 0.000 0.620 481 A CB -0.929 18.018 19.000 -0.089 0.000 0.819 481 A HN 0.726 nan 8.150 nan 0.000 0.442 482 T N -3.859 110.587 114.554 -0.181 0.000 3.040 482 T HA 0.270 4.620 4.350 -0.000 0.000 0.250 482 T C 0.295 174.884 174.700 -0.185 0.000 1.058 482 T CA 0.655 62.662 62.100 -0.155 0.000 0.988 482 T CB -0.180 68.603 68.868 -0.141 0.000 0.993 482 T HN 0.571 nan 8.240 nan 0.000 0.519 483 E N 1.048 121.069 120.200 -0.298 0.000 2.586 483 E HA -0.141 4.209 4.350 -0.000 0.000 0.259 483 E C -0.748 175.656 176.600 -0.328 0.000 1.107 483 E CA 0.530 56.756 56.400 -0.291 0.000 0.754 483 E CB -0.991 28.684 29.700 -0.041 0.000 1.335 483 E HN 0.639 nan 8.360 nan 0.000 0.411 484 E N -0.209 119.707 120.200 -0.473 0.000 2.238 484 E HA 0.354 4.704 4.350 -0.000 0.000 0.267 484 E C -0.461 175.896 176.600 -0.406 0.000 0.887 484 E CA -0.622 55.608 56.400 -0.282 0.000 0.769 484 E CB 1.066 30.682 29.700 -0.140 0.000 1.187 484 E HN 0.054 nan 8.360 nan 0.000 0.416 485 Y N 0.205 120.456 120.300 -0.081 0.000 2.326 485 Y HA 0.565 5.115 4.550 -0.000 0.000 0.324 485 Y C 1.257 177.115 175.900 -0.069 0.000 1.291 485 Y CA 0.617 58.653 58.100 -0.107 0.000 1.348 485 Y CB 1.531 39.989 38.460 -0.003 0.000 1.294 485 Y HN 0.699 nan 8.280 nan 0.000 0.525 486 G N 0.533 109.365 108.800 0.053 0.000 2.356 486 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.288 486 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.288 486 G C -1.828 173.133 174.900 0.103 0.000 1.302 486 G CA -1.240 43.948 45.100 0.147 0.000 0.887 486 G HN 0.544 nan 8.290 nan 0.000 0.521 487 N N 0.918 119.696 118.700 0.130 0.000 2.452 487 N HA 0.110 4.850 4.740 -0.000 0.000 0.266 487 N C 1.731 177.264 175.510 0.038 0.000 1.175 487 N CA -0.343 52.767 53.050 0.100 0.000 0.945 487 N CB 0.750 39.290 38.487 0.088 0.000 1.063 487 N HN 0.398 nan 8.380 nan 0.000 0.472 488 M N 3.639 123.255 119.600 0.026 0.000 2.132 488 M HA -0.113 4.366 4.480 -0.000 0.000 0.263 488 M C 1.716 178.018 176.300 0.004 0.000 1.065 488 M CA 0.939 56.239 55.300 -0.001 0.000 1.122 488 M CB -0.617 31.982 32.600 -0.001 0.000 1.365 488 M HN 0.529 nan 8.290 nan 0.000 0.411 489 I N 0.739 121.320 120.570 0.017 0.000 2.226 489 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 489 I C 1.798 177.921 176.117 0.011 0.000 1.100 489 I CA 1.468 62.776 61.300 0.014 0.000 1.374 489 I CB -1.618 36.395 38.000 0.020 0.000 1.057 489 I HN 0.245 nan 8.210 nan 0.000 0.413 490 D N 0.369 120.778 120.400 0.016 0.000 2.219 490 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 490 D C 2.177 178.478 176.300 0.003 0.000 0.970 490 D CA 0.983 54.991 54.000 0.013 0.000 0.851 490 D CB -0.063 40.750 40.800 0.022 0.000 0.943 490 D HN 0.338 nan 8.370 nan 0.000 0.488 491 M N -0.860 118.737 119.600 -0.005 0.000 2.561 491 M HA 0.139 4.619 4.480 -0.000 0.000 0.238 491 M C 1.094 177.380 176.300 -0.023 0.000 1.131 491 M CA 0.364 55.652 55.300 -0.020 0.000 1.046 491 M CB 0.713 33.290 32.600 -0.038 0.000 1.532 491 M HN 0.094 nan 8.290 nan 0.000 0.497 492 G N 1.685 110.477 108.800 -0.013 0.000 2.184 492 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.264 492 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.264 492 G C 0.130 175.021 174.900 -0.015 0.000 0.975 492 G CA -0.217 44.876 45.100 -0.012 0.000 0.642 492 G HN 0.479 nan 8.290 nan 0.000 0.536 493 I N 1.565 122.123 120.570 -0.020 0.000 2.294 493 I HA 0.491 4.661 4.170 -0.000 0.000 0.295 493 I C 0.268 176.380 176.117 -0.009 0.000 1.098 493 I CA -0.523 60.765 61.300 -0.021 0.000 1.277 493 I CB 0.343 38.321 38.000 -0.036 0.000 1.434 493 I HN 0.263 nan 8.210 nan 0.000 0.498 494 L N 4.012 125.232 121.223 -0.003 0.000 2.466 494 L HA 0.713 5.053 4.340 -0.000 0.000 0.258 494 L C -1.395 175.479 176.870 0.007 0.000 0.973 494 L CA -0.827 54.016 54.840 0.004 0.000 0.826 494 L CB 1.657 43.720 42.059 0.006 0.000 1.372 494 L HN 0.094 nan 8.230 nan 0.000 0.409 495 D N 1.106 121.513 120.400 0.011 0.000 2.375 495 D HA 0.480 5.120 4.640 -0.000 0.000 0.247 495 D C -2.705 173.606 176.300 0.018 0.000 1.061 495 D CA -1.274 52.735 54.000 0.014 0.000 0.834 495 D CB 2.310 43.119 40.800 0.016 0.000 1.247 495 D HN 0.372 nan 8.370 nan 0.000 0.489 496 P HA 0.031 nan 4.420 nan 0.000 0.264 496 P C 0.907 178.222 177.300 0.025 0.000 1.193 496 P CA 0.061 63.174 63.100 0.022 0.000 0.763 496 P CB 0.602 32.318 31.700 0.027 0.000 0.810 497 T N 2.608 117.176 114.554 0.023 0.000 2.699 497 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 497 T C 1.628 176.345 174.700 0.030 0.000 1.036 497 T CA 1.369 63.484 62.100 0.024 0.000 1.147 497 T CB -0.322 68.558 68.868 0.021 0.000 0.862 497 T HN 0.494 nan 8.240 nan 0.000 0.446 498 K N 0.527 120.946 120.400 0.032 0.000 2.044 498 K HA -0.121 4.198 4.320 -0.000 0.000 0.210 498 K C 2.381 179.011 176.600 0.051 0.000 1.049 498 K CA 1.432 57.744 56.287 0.041 0.000 0.927 498 K CB -0.514 32.010 32.500 0.040 0.000 0.713 498 K HN 0.239 nan 8.250 nan 0.000 0.443 499 V N 0.760 120.701 119.914 0.046 0.000 2.427 499 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 499 V C 1.646 177.770 176.094 0.049 0.000 1.051 499 V CA 2.539 64.867 62.300 0.047 0.000 1.048 499 V CB -0.377 31.467 31.823 0.035 0.000 0.666 499 V HN 0.467 nan 8.190 nan 0.000 0.456 500 T N 0.044 114.623 114.554 0.041 0.000 2.904 500 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 500 T C 1.947 176.675 174.700 0.046 0.000 1.059 500 T CA 1.480 63.604 62.100 0.040 0.000 1.137 500 T CB -0.289 68.598 68.868 0.031 0.000 0.879 500 T HN 0.515 nan 8.240 nan 0.000 0.467 501 R N 1.025 121.552 120.500 0.046 0.000 2.075 501 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 501 R C 2.487 178.827 176.300 0.066 0.000 1.126 501 R CA 1.471 57.597 56.100 0.043 0.000 0.963 501 R CB -0.277 30.044 30.300 0.034 0.000 0.858 501 R HN 0.224 nan 8.270 nan 0.000 0.435 502 S N 0.503 116.268 115.700 0.107 0.000 2.355 502 S HA -0.099 4.371 4.470 -0.000 0.000 0.222 502 S C 1.984 176.730 174.600 0.244 0.000 1.031 502 S CA 1.140 59.472 58.200 0.220 0.000 0.993 502 S CB -0.188 63.146 63.200 0.223 0.000 0.859 502 S HN 0.558 nan 8.310 nan 0.000 0.453 503 A N 1.033 123.935 122.820 0.135 0.000 1.940 503 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 503 A C 2.124 179.768 177.584 0.101 0.000 1.176 503 A CA 1.402 53.502 52.037 0.105 0.000 0.631 503 A CB -0.588 18.447 19.000 0.059 0.000 0.814 503 A HN 0.421 nan 8.150 nan 0.000 0.446 504 L N -0.698 120.571 121.223 0.077 0.000 2.068 504 L HA -0.079 4.260 4.340 -0.000 0.000 0.204 504 L C 2.496 179.392 176.870 0.043 0.000 1.076 504 L CA 2.069 56.939 54.840 0.051 0.000 0.753 504 L CB -0.687 41.391 42.059 0.032 0.000 0.910 504 L HN 0.466 nan 8.230 nan 0.000 0.439 505 Q N -1.571 118.242 119.800 0.023 0.000 2.061 505 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 505 Q C 2.189 178.145 176.000 -0.074 0.000 0.984 505 Q CA 2.342 58.109 55.803 -0.059 0.000 0.846 505 Q CB -0.352 28.300 28.738 -0.143 0.000 0.902 505 Q HN 0.514 nan 8.270 nan 0.000 0.421 506 Y N -0.038 120.266 120.300 0.007 0.000 2.145 506 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 506 Y C 2.378 178.281 175.900 0.007 0.000 1.145 506 Y CA 1.192 59.296 58.100 0.007 0.000 1.148 506 Y CB -0.496 37.968 38.460 0.006 0.000 0.981 506 Y HN 0.155 nan 8.280 nan 0.000 0.507 507 A N -0.212 122.703 122.820 0.160 0.000 1.972 507 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 507 A C 2.377 179.996 177.584 0.058 0.000 1.169 507 A CA 1.769 53.861 52.037 0.092 0.000 0.635 507 A CB -1.112 17.930 19.000 0.069 0.000 0.810 507 A HN 0.413 nan 8.150 nan 0.000 0.446 508 A N -1.113 121.731 122.820 0.040 0.000 1.930 508 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 508 A C 2.418 180.010 177.584 0.013 0.000 1.176 508 A CA 1.792 53.840 52.037 0.019 0.000 0.632 508 A CB -0.831 18.171 19.000 0.003 0.000 0.819 508 A HN 0.521 nan 8.150 nan 0.000 0.445 509 S N -0.732 114.973 115.700 0.007 0.000 2.359 509 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 509 S C 1.967 176.583 174.600 0.027 0.000 1.035 509 S CA 1.781 59.981 58.200 0.000 0.000 1.018 509 S CB -0.486 62.698 63.200 -0.026 0.000 0.876 509 S HN 0.426 nan 8.310 nan 0.000 0.448 510 V N 1.585 121.530 119.914 0.051 0.000 2.379 510 V HA 0.022 4.142 4.120 -0.000 0.000 0.245 510 V C 2.630 178.745 176.094 0.035 0.000 1.044 510 V CA 1.921 64.250 62.300 0.049 0.000 1.036 510 V CB -1.027 30.833 31.823 0.061 0.000 0.664 510 V HN 0.581 nan 8.190 nan 0.000 0.453 511 A N 0.032 122.871 122.820 0.032 0.000 1.940 511 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 511 A C 2.345 179.941 177.584 0.021 0.000 1.176 511 A CA 2.001 54.053 52.037 0.025 0.000 0.631 511 A CB -1.401 17.613 19.000 0.023 0.000 0.814 511 A HN 0.651 nan 8.150 nan 0.000 0.446 512 G N -0.186 108.625 108.800 0.018 0.000 2.446 512 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 512 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 512 G C 1.552 176.462 174.900 0.016 0.000 1.168 512 G CA 1.086 46.194 45.100 0.013 0.000 0.771 512 G HN 0.445 nan 8.290 nan 0.000 0.551 513 L N -0.376 120.858 121.223 0.019 0.000 2.093 513 L HA 0.046 4.386 4.340 -0.000 0.000 0.208 513 L C 3.036 179.920 176.870 0.023 0.000 1.085 513 L CA 0.837 55.690 54.840 0.021 0.000 0.755 513 L CB -0.240 41.833 42.059 0.024 0.000 0.904 513 L HN 0.212 nan 8.230 nan 0.000 0.435 514 M N -0.910 118.705 119.600 0.024 0.000 2.319 514 M HA -0.129 4.351 4.480 -0.000 0.000 0.265 514 M C 2.154 178.468 176.300 0.023 0.000 1.068 514 M CA 1.496 56.811 55.300 0.025 0.000 1.118 514 M CB -0.035 32.581 32.600 0.026 0.000 1.395 514 M HN 0.212 nan 8.290 nan 0.000 0.435 515 I N -0.200 120.382 120.570 0.020 0.000 2.439 515 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 515 I C 1.797 177.926 176.117 0.020 0.000 1.139 515 I CA 1.206 62.517 61.300 0.018 0.000 1.438 515 I CB -0.155 37.854 38.000 0.016 0.000 1.085 515 I HN 0.322 nan 8.210 nan 0.000 0.427 516 T N -2.566 112.000 114.554 0.021 0.000 3.272 516 T HA 0.112 4.462 4.350 -0.000 0.000 0.250 516 T C 0.605 175.322 174.700 0.028 0.000 1.082 516 T CA -0.187 61.926 62.100 0.022 0.000 0.968 516 T CB -0.729 68.151 68.868 0.020 0.000 1.015 516 T HN -0.013 nan 8.240 nan 0.000 0.563 517 T N 2.348 116.920 114.554 0.029 0.000 2.780 517 T HA 0.302 4.652 4.350 -0.000 0.000 0.294 517 T C 0.602 175.327 174.700 0.041 0.000 0.949 517 T CA -0.550 61.570 62.100 0.034 0.000 1.074 517 T CB 1.610 70.497 68.868 0.032 0.000 0.910 517 T HN 0.123 nan 8.240 nan 0.000 0.501 518 E N 0.467 120.700 120.200 0.054 0.000 2.441 518 E HA 0.157 4.507 4.350 -0.000 0.000 0.212 518 E C 0.071 176.731 176.600 0.101 0.000 0.840 518 E CA 0.138 56.588 56.400 0.082 0.000 1.143 518 E CB 0.893 30.653 29.700 0.099 0.000 1.153 518 E HN 0.576 nan 8.360 nan 0.000 0.539 519 C N 1.049 120.383 119.300 0.057 0.000 2.609 519 C HA 0.699 5.159 4.460 -0.000 0.000 0.313 519 C C -1.012 173.949 174.990 -0.048 0.000 1.175 519 C CA -0.524 58.470 59.018 -0.040 0.000 1.434 519 C CB 0.205 27.954 27.740 0.015 0.000 2.005 519 C HN 0.151 nan 8.230 nan 0.000 0.471 520 M N 5.350 124.903 119.600 -0.077 0.000 2.326 520 M HA 0.561 5.041 4.480 -0.000 0.000 0.306 520 M C -1.101 175.258 176.300 0.098 0.000 1.054 520 M CA -0.508 54.838 55.300 0.076 0.000 0.922 520 M CB 2.100 34.858 32.600 0.264 0.000 1.632 520 M HN 0.385 nan 8.290 nan 0.000 0.436 521 V N 1.793 121.718 119.914 0.018 0.000 2.407 521 V HA 0.658 4.778 4.120 -0.000 0.000 0.291 521 V C -0.291 175.729 176.094 -0.123 0.000 1.018 521 V CA -0.399 61.880 62.300 -0.034 0.000 0.842 521 V CB 1.773 33.574 31.823 -0.036 0.000 0.996 521 V HN 0.937 nan 8.190 nan 0.000 0.426 522 T N 2.144 116.560 114.554 -0.229 0.000 2.838 522 T HA 0.452 4.802 4.350 -0.000 0.000 0.292 522 T C -1.108 173.461 174.700 -0.218 0.000 1.113 522 T CA -0.544 61.372 62.100 -0.307 0.000 1.008 522 T CB 1.889 70.400 68.868 -0.596 0.000 1.259 522 T HN 0.611 nan 8.240 nan 0.000 0.520 523 D N 1.402 121.694 120.400 -0.180 0.000 2.382 523 D HA 0.302 4.942 4.640 -0.000 0.000 0.240 523 D C -0.126 176.109 176.300 -0.109 0.000 1.146 523 D CA -0.039 53.893 54.000 -0.114 0.000 0.897 523 D CB 0.476 41.224 40.800 -0.087 0.000 1.197 523 D HN 0.337 nan 8.370 nan 0.000 0.432 524 L N 3.600 124.788 121.223 -0.057 0.000 2.367 524 L HA 0.286 4.626 4.340 -0.000 0.000 0.275 524 L C -1.611 175.244 176.870 -0.026 0.000 1.129 524 L CA -0.952 53.871 54.840 -0.029 0.000 0.839 524 L CB 0.203 42.258 42.059 -0.007 0.000 1.133 524 L HN 0.374 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.095 63.100 -0.008 0.000 0.800 525 P CB 0.000 31.705 31.700 0.009 0.000 0.726