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 2xm5_1_A DATA FIRST_RESID 5 DATA SEQUENCE PIDQEFDCER FRADIRATAA AIGAPIAHRL TDTVLEAFRD NFAQGATLWK DATA SEQUENCE TTSQPGDQLS YRFFSRLKMD TVSRAIDAGL LDAAHPTLAV VDAWSSLYGG DATA SEQUENCE APVQSGDFDA GRGMAKTWLY FGGLRPAEDI LTVPALPASV QARLKDFLAL DATA SEQUENCE GLAHVRFAAV DWRHHSANVY FRGKGPLDTV QFARIHALSG STPPAAHVVE DATA SEQUENCE EVLAYMPEDY SVAITLDLHS GDIERVCFYA LKVPKNALPR IPTRIARFLE DATA SEQUENCE VAPSHDVEEC NVIGWSFGRS GDYVKAERSY TGNMAEILAG WNCFFHGEEG DATA SEQUENCE RDHDLRALHQ H 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.235 177.300 -0.109 0.000 1.155 5 P CA 0.000 63.040 63.100 -0.100 0.000 0.800 5 P CB 0.000 31.613 31.700 -0.146 0.000 0.726 6 I N -2.608 117.904 120.570 -0.097 0.000 4.154 6 I HA 0.224 4.394 4.170 -0.000 0.000 0.334 6 I C 0.188 176.239 176.117 -0.110 0.000 1.371 6 I CA -0.288 60.971 61.300 -0.068 0.000 1.110 6 I CB 0.193 38.191 38.000 -0.004 0.000 1.085 6 I HN 0.304 nan 8.210 nan 0.000 0.398 7 D N 2.056 122.362 120.400 -0.158 0.000 2.447 7 D HA -0.071 4.568 4.640 -0.000 0.000 0.265 7 D C 0.990 177.152 176.300 -0.230 0.000 1.250 7 D CA -0.171 53.746 54.000 -0.137 0.000 1.046 7 D CB 0.718 41.458 40.800 -0.101 0.000 1.095 7 D HN 0.484 nan 8.370 nan 0.000 0.555 8 Q N -0.876 118.846 119.800 -0.130 0.000 2.378 8 Q HA -0.075 4.265 4.340 -0.000 0.000 0.205 8 Q C 0.396 176.302 176.000 -0.158 0.000 0.954 8 Q CA 0.465 56.205 55.803 -0.104 0.000 0.901 8 Q CB 0.073 28.789 28.738 -0.037 0.000 0.981 8 Q HN 0.601 nan 8.270 nan 0.000 0.483 9 E N 0.752 120.855 120.200 -0.162 0.000 2.354 9 E HA 0.077 4.426 4.350 -0.000 0.000 0.269 9 E C -1.153 175.361 176.600 -0.143 0.000 1.036 9 E CA -0.798 55.537 56.400 -0.108 0.000 0.876 9 E CB 0.509 30.165 29.700 -0.073 0.000 1.009 9 E HN 0.239 nan 8.360 nan 0.000 0.416 10 F N 3.509 123.339 119.950 -0.200 0.000 2.608 10 F HA 0.037 4.564 4.527 -0.000 0.000 0.380 10 F C -0.166 175.561 175.800 -0.122 0.000 1.083 10 F CA 0.668 58.548 58.000 -0.201 0.000 1.266 10 F CB 0.523 39.429 39.000 -0.155 0.000 1.076 10 F HN 0.444 nan 8.300 nan 0.000 0.574 11 D N 5.026 124.896 120.400 -0.884 0.000 2.696 11 D HA 0.176 4.815 4.640 -0.000 0.000 0.251 11 D C 0.125 175.947 176.300 -0.797 0.000 1.188 11 D CA -0.627 53.018 54.000 -0.592 0.000 0.876 11 D CB 1.419 42.026 40.800 -0.321 0.000 1.334 11 D HN 0.704 nan 8.370 nan 0.000 0.540 12 C N 3.527 122.546 119.300 -0.468 0.000 2.446 12 C HA -0.040 4.420 4.460 -0.000 0.000 0.277 12 C C 2.226 177.169 174.990 -0.079 0.000 1.275 12 C CA 0.594 59.498 59.018 -0.190 0.000 1.727 12 C CB -0.788 27.025 27.740 0.121 0.000 2.010 12 C HN 0.692 nan 8.230 nan 0.000 0.486 13 E N 0.340 120.492 120.200 -0.080 0.000 2.077 13 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 13 E C 2.309 178.888 176.600 -0.035 0.000 0.989 13 E CA 0.921 57.293 56.400 -0.046 0.000 0.800 13 E CB -0.557 29.118 29.700 -0.042 0.000 0.746 13 E HN 0.661 nan 8.360 nan 0.000 0.452 14 R N -0.229 120.241 120.500 -0.050 0.000 2.105 14 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 14 R C 2.287 178.673 176.300 0.144 0.000 1.135 14 R CA 1.124 57.236 56.100 0.020 0.000 0.967 14 R CB -0.343 29.948 30.300 -0.016 0.000 0.861 14 R HN 0.085 nan 8.270 nan 0.000 0.442 15 F N 1.651 121.539 119.950 -0.104 0.000 2.134 15 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 15 F C 2.007 177.745 175.800 -0.103 0.000 1.097 15 F CA 1.509 59.464 58.000 -0.075 0.000 1.264 15 F CB -0.299 38.588 39.000 -0.188 0.000 1.001 15 F HN -0.054 nan 8.300 nan 0.000 0.479 16 R N 0.166 120.579 120.500 -0.145 0.000 2.096 16 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 16 R C 2.430 178.646 176.300 -0.140 0.000 1.139 16 R CA 1.631 57.599 56.100 -0.219 0.000 0.952 16 R CB -1.084 29.149 30.300 -0.111 0.000 0.854 16 R HN 0.367 nan 8.270 nan 0.000 0.436 17 A N 1.336 124.124 122.820 -0.053 0.000 1.930 17 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 17 A C 1.567 179.138 177.584 -0.022 0.000 1.175 17 A CA 1.669 53.691 52.037 -0.027 0.000 0.627 17 A CB -0.282 18.718 19.000 0.000 0.000 0.815 17 A HN 0.168 nan 8.150 nan 0.000 0.443 18 D N 0.004 120.425 120.400 0.034 0.000 2.149 18 D HA -0.068 4.572 4.640 -0.000 0.000 0.201 18 D C 1.859 178.110 176.300 -0.082 0.000 0.972 18 D CA 0.923 54.952 54.000 0.050 0.000 0.835 18 D CB -0.304 40.675 40.800 0.299 0.000 0.966 18 D HN 0.523 nan 8.370 nan 0.000 0.476 19 I N 1.097 121.609 120.570 -0.097 0.000 2.127 19 I HA -0.278 3.892 4.170 -0.000 0.000 0.241 19 I C 2.496 178.519 176.117 -0.157 0.000 1.075 19 I CA 1.185 62.375 61.300 -0.183 0.000 1.334 19 I CB -0.171 37.545 38.000 -0.474 0.000 1.040 19 I HN -0.062 nan 8.210 nan 0.000 0.405 20 R N 0.978 121.407 120.500 -0.118 0.000 2.073 20 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 20 R C 2.442 178.701 176.300 -0.068 0.000 1.134 20 R CA 1.573 57.641 56.100 -0.053 0.000 0.952 20 R CB -0.688 29.624 30.300 0.020 0.000 0.850 20 R HN 0.382 nan 8.270 nan 0.000 0.433 21 A N 0.917 123.684 122.820 -0.088 0.000 1.873 21 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 21 A C 2.253 179.750 177.584 -0.143 0.000 1.186 21 A CA 1.900 53.880 52.037 -0.095 0.000 0.616 21 A CB -0.826 18.122 19.000 -0.086 0.000 0.823 21 A HN 0.295 nan 8.150 nan 0.000 0.442 22 T N 0.339 114.752 114.554 -0.236 0.000 2.821 22 T HA 0.036 4.386 4.350 -0.000 0.000 0.267 22 T C 2.211 176.804 174.700 -0.180 0.000 1.046 22 T CA 1.404 63.318 62.100 -0.309 0.000 1.139 22 T CB -0.435 68.046 68.868 -0.644 0.000 0.871 22 T HN 0.581 nan 8.240 nan 0.000 0.454 23 A N 1.680 124.418 122.820 -0.137 0.000 1.877 23 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 23 A C 2.676 180.224 177.584 -0.061 0.000 1.186 23 A CA 1.897 53.890 52.037 -0.073 0.000 0.620 23 A CB -1.203 17.761 19.000 -0.061 0.000 0.822 23 A HN 0.507 nan 8.150 nan 0.000 0.443 24 A N -0.177 122.607 122.820 -0.061 0.000 1.902 24 A HA 0.134 4.453 4.320 -0.000 0.000 0.217 24 A C 2.519 180.075 177.584 -0.047 0.000 1.181 24 A CA 2.217 54.228 52.037 -0.044 0.000 0.623 24 A CB -1.070 17.909 19.000 -0.034 0.000 0.818 24 A HN 1.120 nan 8.150 nan 0.000 0.443 25 A N 0.474 123.255 122.820 -0.065 0.000 1.908 25 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 25 A C 2.013 179.572 177.584 -0.042 0.000 1.181 25 A CA 1.624 53.624 52.037 -0.061 0.000 0.627 25 A CB -0.726 18.220 19.000 -0.091 0.000 0.818 25 A HN 1.081 nan 8.150 nan 0.000 0.445 26 I N -4.639 115.909 120.570 -0.036 0.000 3.883 26 I HA 0.480 4.649 4.170 -0.000 0.000 0.326 26 I C 1.080 177.183 176.117 -0.024 0.000 1.283 26 I CA 0.526 61.817 61.300 -0.015 0.000 1.161 26 I CB -0.178 37.830 38.000 0.014 0.000 1.012 26 I HN 0.369 nan 8.210 nan 0.000 0.421 27 G N 1.865 110.648 108.800 -0.028 0.000 2.225 27 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.264 27 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.264 27 G C 0.187 175.070 174.900 -0.029 0.000 1.060 27 G CA 0.082 45.166 45.100 -0.026 0.000 0.833 27 G HN 0.940 nan 8.290 nan 0.000 0.498 28 A N -0.065 122.736 122.820 -0.032 0.000 2.295 28 A HA 0.910 5.230 4.320 -0.000 0.000 0.318 28 A C -1.413 176.151 177.584 -0.032 0.000 1.134 28 A CA -1.340 50.679 52.037 -0.030 0.000 0.827 28 A CB 0.912 19.898 19.000 -0.024 0.000 1.136 28 A HN 0.208 nan 8.150 nan 0.000 0.493 29 P HA 0.453 nan 4.420 nan 0.000 0.272 29 P C -0.903 176.362 177.300 -0.060 0.000 1.230 29 P CA -0.065 63.012 63.100 -0.039 0.000 0.788 29 P CB 0.512 32.196 31.700 -0.026 0.000 0.949 30 I N 0.328 120.831 120.570 -0.111 0.000 2.619 30 I HA 0.603 4.773 4.170 -0.000 0.000 0.292 30 I C -1.383 174.576 176.117 -0.262 0.000 1.100 30 I CA -1.002 60.175 61.300 -0.206 0.000 1.043 30 I CB 1.773 39.581 38.000 -0.320 0.000 1.239 30 I HN 0.368 nan 8.210 nan 0.000 0.420 31 A N 6.162 128.857 122.820 -0.209 0.000 2.431 31 A HA 0.432 4.752 4.320 -0.000 0.000 0.318 31 A C 0.272 177.786 177.584 -0.117 0.000 1.330 31 A CA -0.443 51.517 52.037 -0.128 0.000 0.804 31 A CB -0.139 18.851 19.000 -0.018 0.000 1.135 31 A HN 0.859 nan 8.150 nan 0.000 0.483 32 H N 1.584 120.659 119.070 0.007 0.000 2.299 32 H HA -0.108 4.448 4.556 -0.000 0.000 0.302 32 H C 2.143 177.470 175.328 -0.001 0.000 1.078 32 H CA 2.175 58.218 56.048 -0.008 0.000 1.323 32 H CB 0.124 29.877 29.762 -0.015 0.000 1.381 32 H HN 0.802 nan 8.280 nan 0.000 0.498 33 R N 0.628 121.208 120.500 0.134 0.000 2.092 33 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 33 R C 2.315 178.657 176.300 0.069 0.000 1.119 33 R CA 0.939 57.088 56.100 0.082 0.000 0.970 33 R CB -0.237 30.102 30.300 0.065 0.000 0.864 33 R HN 0.121 nan 8.270 nan 0.000 0.440 34 L N 0.843 122.107 121.223 0.068 0.000 2.046 34 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 34 L C 1.922 178.851 176.870 0.099 0.000 1.077 34 L CA 2.082 56.971 54.840 0.081 0.000 0.747 34 L CB -0.800 41.306 42.059 0.080 0.000 0.896 34 L HN 0.155 nan 8.230 nan 0.000 0.432 35 T N -0.404 114.200 114.554 0.084 0.000 2.720 35 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 35 T C 1.482 176.204 174.700 0.036 0.000 1.037 35 T CA 1.572 63.715 62.100 0.071 0.000 1.144 35 T CB -0.402 68.460 68.868 -0.010 0.000 0.864 35 T HN 0.377 nan 8.240 nan 0.000 0.444 36 D N 0.859 121.279 120.400 0.034 0.000 2.149 36 D HA -0.072 4.568 4.640 -0.000 0.000 0.198 36 D C 2.301 178.632 176.300 0.052 0.000 0.990 36 D CA 1.202 55.221 54.000 0.031 0.000 0.839 36 D CB -0.570 40.248 40.800 0.030 0.000 0.948 36 D HN 0.355 nan 8.370 nan 0.000 0.460 37 T N 0.336 114.929 114.554 0.064 0.000 2.777 37 T HA -0.073 4.276 4.350 -0.000 0.000 0.266 37 T C 2.279 177.036 174.700 0.095 0.000 1.040 37 T CA 0.636 62.776 62.100 0.066 0.000 1.141 37 T CB -0.278 68.630 68.868 0.067 0.000 0.868 37 T HN -0.022 nan 8.240 nan 0.000 0.444 38 V N 1.363 121.358 119.914 0.135 0.000 2.295 38 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 38 V C 2.456 178.710 176.094 0.266 0.000 1.049 38 V CA 1.383 63.795 62.300 0.186 0.000 1.024 38 V CB -0.645 31.221 31.823 0.073 0.000 0.648 38 V HN 0.303 nan 8.190 nan 0.000 0.447 39 L N -0.063 121.281 121.223 0.201 0.000 2.083 39 L HA -0.170 4.169 4.340 -0.000 0.000 0.209 39 L C 2.486 179.487 176.870 0.218 0.000 1.083 39 L CA 2.081 57.069 54.840 0.246 0.000 0.752 39 L CB -0.846 41.270 42.059 0.095 0.000 0.899 39 L HN 0.477 nan 8.230 nan 0.000 0.433 40 E N -0.593 119.678 120.200 0.118 0.000 2.072 40 E HA -0.207 4.142 4.350 -0.000 0.000 0.191 40 E C 2.163 178.766 176.600 0.005 0.000 0.985 40 E CA 1.079 57.517 56.400 0.063 0.000 0.801 40 E CB -0.009 29.709 29.700 0.030 0.000 0.750 40 E HN 0.440 nan 8.360 nan 0.000 0.452 41 A N -0.174 122.616 122.820 -0.051 0.000 1.968 41 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 41 A C 1.202 178.496 177.584 -0.484 0.000 1.169 41 A CA 0.819 52.673 52.037 -0.306 0.000 0.638 41 A CB -0.182 18.549 19.000 -0.448 0.000 0.812 41 A HN 0.341 nan 8.150 nan 0.000 0.446 42 F N -1.334 118.641 119.950 0.042 0.000 2.698 42 F HA 0.338 4.865 4.527 -0.000 0.000 0.304 42 F C 1.562 177.328 175.800 -0.058 0.000 1.108 42 F CA -0.646 57.289 58.000 -0.109 0.000 1.263 42 F CB 0.026 38.906 39.000 -0.200 0.000 1.013 42 F HN 0.139 nan 8.300 nan 0.000 0.532 43 R N 0.852 121.484 120.500 0.219 0.000 2.096 43 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 43 R C 1.371 177.702 176.300 0.050 0.000 1.139 43 R CA 2.449 58.696 56.100 0.245 0.000 0.952 43 R CB -0.169 30.248 30.300 0.194 0.000 0.854 43 R HN 0.124 nan 8.270 nan 0.000 0.436 44 D N -0.155 120.226 120.400 -0.031 0.000 2.144 44 D HA -0.113 4.526 4.640 -0.000 0.000 0.199 44 D C 1.510 177.679 176.300 -0.218 0.000 0.984 44 D CA 1.332 55.277 54.000 -0.090 0.000 0.834 44 D CB -0.412 40.348 40.800 -0.066 0.000 0.955 44 D HN 0.387 nan 8.370 nan 0.000 0.465 45 N N 0.002 118.477 118.700 -0.376 0.000 2.106 45 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 45 N C 1.582 176.639 175.510 -0.755 0.000 1.029 45 N CA 0.742 53.352 53.050 -0.733 0.000 0.848 45 N CB -0.432 37.141 38.487 -1.525 0.000 1.007 45 N HN 0.108 nan 8.380 nan 0.000 0.423 46 F N 1.041 120.618 119.950 -0.622 0.000 2.134 46 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 46 F C 2.401 177.608 175.800 -0.989 0.000 1.097 46 F CA 0.919 58.479 58.000 -0.733 0.000 1.264 46 F CB -0.801 37.667 39.000 -0.886 0.000 1.001 46 F HN 0.046 nan 8.300 nan 0.000 0.479 47 A N -0.582 121.854 122.820 -0.641 0.000 1.898 47 A HA -0.194 4.125 4.320 -0.000 0.000 0.216 47 A C 2.081 179.554 177.584 -0.185 0.000 1.181 47 A CA 1.597 53.405 52.037 -0.382 0.000 0.620 47 A CB -0.634 18.333 19.000 -0.054 0.000 0.819 47 A HN 0.471 nan 8.150 nan 0.000 0.442 48 Q N -0.718 118.981 119.800 -0.169 0.000 2.376 48 Q HA 0.164 4.504 4.340 -0.000 0.000 0.206 48 Q C 1.284 177.237 176.000 -0.079 0.000 0.921 48 Q CA 0.276 56.022 55.803 -0.095 0.000 0.911 48 Q CB 0.124 28.818 28.738 -0.074 0.000 1.032 48 Q HN 0.615 nan 8.270 nan 0.000 0.510 49 G N 0.434 109.171 108.800 -0.105 0.000 2.531 49 G HA2 0.550 4.510 3.960 -0.000 0.000 0.281 49 G HA3 0.550 4.510 3.960 -0.000 0.000 0.281 49 G C -1.055 173.831 174.900 -0.024 0.000 1.382 49 G CA -0.328 44.757 45.100 -0.024 0.000 1.045 49 G HN 0.213 nan 8.290 nan 0.000 0.533 50 A N -0.342 122.497 122.820 0.032 0.000 2.260 50 A HA 0.650 4.969 4.320 -0.000 0.000 0.308 50 A C 0.207 177.816 177.584 0.040 0.000 1.254 50 A CA -0.263 51.788 52.037 0.023 0.000 0.874 50 A CB 0.381 19.402 19.000 0.035 0.000 1.153 50 A HN 0.497 nan 8.150 nan 0.000 0.527 51 T N 3.141 117.702 114.554 0.011 0.000 2.829 51 T HA 0.621 4.970 4.350 -0.000 0.000 0.282 51 T C -0.227 174.434 174.700 -0.065 0.000 0.990 51 T CA -0.087 62.025 62.100 0.020 0.000 1.028 51 T CB 0.546 69.387 68.868 -0.045 0.000 0.951 51 T HN 0.850 nan 8.240 nan 0.000 0.460 52 L N -0.638 120.487 121.223 -0.162 0.000 2.600 52 L HA 0.867 5.207 4.340 -0.000 0.000 0.257 52 L C -1.898 174.846 176.870 -0.210 0.000 1.048 52 L CA -1.385 53.327 54.840 -0.212 0.000 0.869 52 L CB 1.451 43.468 42.059 -0.069 0.000 1.482 52 L HN 0.609 nan 8.230 nan 0.000 0.408 53 W N 0.051 121.462 121.300 0.184 0.000 2.578 53 W HA 0.833 5.493 4.660 -0.001 0.000 0.346 53 W C -0.181 176.527 176.519 0.315 0.000 1.075 53 W CA -0.478 57.027 57.345 0.267 0.000 1.233 53 W CB 1.422 31.057 29.460 0.291 0.000 1.358 53 W HN 0.479 nan 8.180 nan 0.000 0.574 54 K N 1.311 122.013 120.400 0.503 0.000 2.542 54 K HA 0.581 4.901 4.320 -0.000 0.000 0.259 54 K C -1.387 175.083 176.600 -0.216 0.000 0.932 54 K CA -0.257 56.096 56.287 0.109 0.000 0.820 54 K CB 2.430 34.942 32.500 0.020 0.000 1.345 54 K HN 0.575 nan 8.250 nan 0.000 0.432 55 T N 0.060 114.232 114.554 -0.637 0.000 2.645 55 T HA 0.549 4.899 4.350 -0.000 0.000 0.300 55 T C -1.192 173.261 174.700 -0.412 0.000 1.210 55 T CA -0.122 61.664 62.100 -0.523 0.000 1.034 55 T CB 1.303 69.794 68.868 -0.628 0.000 1.537 55 T HN 0.814 nan 8.240 nan 0.000 0.492 56 T N -1.427 112.936 114.554 -0.319 0.000 2.888 56 T HA 0.530 4.880 4.350 -0.000 0.000 0.288 56 T C 1.144 175.723 174.700 -0.202 0.000 1.063 56 T CA 0.243 62.200 62.100 -0.238 0.000 1.010 56 T CB 1.177 69.836 68.868 -0.348 0.000 1.214 56 T HN 0.680 nan 8.240 nan 0.000 0.533 57 S N -0.670 114.960 115.700 -0.116 0.000 2.607 57 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 57 S C 0.565 175.115 174.600 -0.083 0.000 0.969 57 S CA -0.311 57.845 58.200 -0.073 0.000 0.927 57 S CB -0.703 62.490 63.200 -0.011 0.000 0.772 57 S HN 0.748 nan 8.310 nan 0.000 0.533 58 Q N 2.750 122.455 119.800 -0.158 0.000 2.289 58 Q HA 0.242 4.582 4.340 -0.000 0.000 0.273 58 Q C -2.556 173.383 176.000 -0.101 0.000 1.029 58 Q CA -1.821 53.898 55.803 -0.140 0.000 0.896 58 Q CB -0.069 28.528 28.738 -0.236 0.000 1.182 58 Q HN 0.223 nan 8.270 nan 0.000 0.385 59 P HA -0.082 nan 4.420 nan 0.000 0.262 59 P C 0.546 177.815 177.300 -0.052 0.000 1.182 59 P CA 0.981 64.053 63.100 -0.046 0.000 0.761 59 P CB 0.423 32.107 31.700 -0.026 0.000 0.795 60 G N 1.802 110.573 108.800 -0.049 0.000 2.166 60 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 60 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 60 G C 0.297 175.162 174.900 -0.059 0.000 0.986 60 G CA 0.091 45.164 45.100 -0.046 0.000 0.683 60 G HN 0.585 nan 8.290 nan 0.000 0.527 61 D N 0.428 120.776 120.400 -0.087 0.000 2.368 61 D HA 0.319 4.958 4.640 -0.000 0.000 0.240 61 D C 1.087 177.338 176.300 -0.081 0.000 1.169 61 D CA -0.108 53.830 54.000 -0.104 0.000 0.906 61 D CB 0.457 41.156 40.800 -0.170 0.000 1.187 61 D HN 0.237 nan 8.370 nan 0.000 0.435 62 Q N 0.769 120.532 119.800 -0.062 0.000 2.386 62 Q HA 0.056 4.396 4.340 -0.000 0.000 0.282 62 Q C -0.270 175.716 176.000 -0.022 0.000 1.050 62 Q CA -0.140 55.648 55.803 -0.024 0.000 0.918 62 Q CB 0.530 29.267 28.738 -0.002 0.000 1.266 62 Q HN 0.379 nan 8.270 nan 0.000 0.423 63 L N 1.745 122.987 121.223 0.031 0.000 2.313 63 L HA 0.173 4.512 4.340 -0.000 0.000 0.282 63 L C -0.536 176.452 176.870 0.196 0.000 1.092 63 L CA 0.535 55.435 54.840 0.100 0.000 0.831 63 L CB 0.832 42.960 42.059 0.114 0.000 1.159 63 L HN 0.431 nan 8.230 nan 0.000 0.442 64 S N 4.174 119.994 115.700 0.199 0.000 2.593 64 S HA 0.731 5.201 4.470 -0.000 0.000 0.297 64 S C -1.233 173.609 174.600 0.404 0.000 1.112 64 S CA -0.301 58.020 58.200 0.201 0.000 1.043 64 S CB 1.313 64.534 63.200 0.036 0.000 1.054 64 S HN 0.568 nan 8.310 nan 0.000 0.516 65 Y N -0.456 119.990 120.300 0.244 0.000 2.492 65 Y HA 0.802 5.351 4.550 -0.000 0.000 0.346 65 Y C -0.696 175.364 175.900 0.268 0.000 0.997 65 Y CA -1.211 57.030 58.100 0.235 0.000 1.025 65 Y CB 1.137 39.737 38.460 0.233 0.000 1.263 65 Y HN 0.664 nan 8.280 nan 0.000 0.454 66 R N 3.669 124.286 120.500 0.194 0.000 2.744 66 R HA 0.678 5.018 4.340 -0.000 0.000 0.279 66 R C -1.964 174.385 176.300 0.082 0.000 0.977 66 R CA -0.968 55.094 56.100 -0.064 0.000 0.906 66 R CB 1.736 31.739 30.300 -0.495 0.000 1.197 66 R HN 0.816 nan 8.270 nan 0.000 0.463 67 F N 1.509 121.397 119.950 -0.103 0.000 2.436 67 F HA 0.583 5.109 4.527 -0.000 0.000 0.340 67 F C -1.445 174.207 175.800 -0.248 0.000 1.113 67 F CA -1.140 56.736 58.000 -0.205 0.000 1.022 67 F CB 0.782 39.541 39.000 -0.402 0.000 1.128 67 F HN 0.153 nan 8.300 nan 0.000 0.466 68 F N 2.013 121.977 119.950 0.023 0.000 2.411 68 F HA 0.417 4.944 4.527 -0.000 0.000 0.350 68 F C 0.545 176.455 175.800 0.183 0.000 1.114 68 F CA -0.746 57.283 58.000 0.049 0.000 1.135 68 F CB 1.457 40.407 39.000 -0.084 0.000 1.120 68 F HN 0.541 nan 8.300 nan 0.000 0.495 69 S N 4.307 120.336 115.700 0.548 0.000 2.545 69 S HA 0.331 4.800 4.470 -0.000 0.000 0.275 69 S C 1.235 175.995 174.600 0.267 0.000 1.299 69 S CA -0.565 57.879 58.200 0.407 0.000 1.048 69 S CB 1.117 64.575 63.200 0.430 0.000 0.938 69 S HN 0.614 nan 8.310 nan 0.000 0.496 70 R N 0.676 121.260 120.500 0.140 0.000 2.167 70 R HA 0.191 4.531 4.340 -0.000 0.000 0.201 70 R C 0.015 176.368 176.300 0.088 0.000 1.024 70 R CA -0.174 55.984 56.100 0.096 0.000 1.053 70 R CB -0.036 30.283 30.300 0.032 0.000 0.987 70 R HN 0.406 nan 8.270 nan 0.000 0.493 71 L N 2.971 124.228 121.223 0.057 0.000 2.433 71 L HA 0.112 4.452 4.340 -0.000 0.000 0.275 71 L C -0.094 176.832 176.870 0.093 0.000 1.128 71 L CA 0.396 55.262 54.840 0.044 0.000 0.875 71 L CB 0.410 42.460 42.059 -0.015 0.000 1.171 71 L HN -0.164 nan 8.230 nan 0.000 0.463 72 K N 7.741 128.199 120.400 0.096 0.000 2.262 72 K HA 0.585 4.905 4.320 -0.000 0.000 0.282 72 K C -0.707 175.952 176.600 0.098 0.000 1.066 72 K CA -0.390 55.967 56.287 0.117 0.000 0.901 72 K CB 0.428 32.993 32.500 0.109 0.000 1.089 72 K HN 0.867 nan 8.250 nan 0.000 0.476 73 M N 1.228 120.900 119.600 0.120 0.000 2.949 73 M HA 0.288 4.768 4.480 -0.000 0.000 0.270 73 M C -1.473 174.907 176.300 0.135 0.000 1.221 73 M CA -0.997 54.368 55.300 0.108 0.000 0.818 73 M CB 1.388 34.045 32.600 0.094 0.000 1.635 73 M HN 0.227 nan 8.290 nan 0.000 0.492 74 D N 1.945 122.415 120.400 0.117 0.000 2.470 74 D HA 0.169 4.808 4.640 -0.000 0.000 0.226 74 D C 1.120 177.526 176.300 0.177 0.000 1.196 74 D CA 0.486 54.561 54.000 0.125 0.000 0.979 74 D CB 0.894 41.746 40.800 0.087 0.000 1.059 74 D HN 0.763 nan 8.370 nan 0.000 0.515 75 T N -0.571 114.133 114.554 0.250 0.000 2.867 75 T HA -0.125 4.224 4.350 -0.000 0.000 0.268 75 T C 1.931 176.842 174.700 0.353 0.000 1.057 75 T CA 0.853 63.199 62.100 0.409 0.000 1.136 75 T CB -0.183 68.942 68.868 0.429 0.000 0.874 75 T HN 0.130 nan 8.240 nan 0.000 0.466 76 V N 1.449 121.490 119.914 0.213 0.000 2.307 76 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 76 V C 3.058 179.191 176.094 0.066 0.000 1.045 76 V CA 1.905 64.276 62.300 0.118 0.000 1.024 76 V CB -1.053 30.842 31.823 0.120 0.000 0.651 76 V HN 0.610 nan 8.190 nan 0.000 0.449 77 S N -0.145 115.600 115.700 0.075 0.000 2.383 77 S HA -0.276 4.194 4.470 -0.000 0.000 0.229 77 S C 2.190 176.807 174.600 0.028 0.000 1.030 77 S CA 2.089 60.312 58.200 0.038 0.000 1.002 77 S CB -0.283 62.940 63.200 0.039 0.000 0.829 77 S HN 0.523 nan 8.310 nan 0.000 0.467 78 R N 1.463 121.997 120.500 0.057 0.000 2.075 78 R HA 0.166 4.506 4.340 -0.000 0.000 0.232 78 R C 2.219 178.492 176.300 -0.045 0.000 1.126 78 R CA 1.874 57.950 56.100 -0.041 0.000 0.963 78 R CB -1.240 28.992 30.300 -0.113 0.000 0.858 78 R HN 0.365 nan 8.270 nan 0.000 0.435 79 A N 0.519 123.429 122.820 0.151 0.000 1.902 79 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 79 A C 2.318 179.920 177.584 0.030 0.000 1.181 79 A CA 1.684 53.837 52.037 0.194 0.000 0.623 79 A CB -0.597 18.542 19.000 0.232 0.000 0.818 79 A HN 0.379 nan 8.150 nan 0.000 0.443 80 I N -0.174 120.383 120.570 -0.021 0.000 2.179 80 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 80 I C 1.892 177.993 176.117 -0.027 0.000 1.088 80 I CA 1.411 62.684 61.300 -0.045 0.000 1.357 80 I CB -0.522 37.446 38.000 -0.053 0.000 1.051 80 I HN 0.223 nan 8.210 nan 0.000 0.409 81 D N 1.269 121.653 120.400 -0.028 0.000 2.133 81 D HA -0.194 4.446 4.640 -0.000 0.000 0.195 81 D C 2.025 178.304 176.300 -0.035 0.000 0.997 81 D CA 1.743 55.723 54.000 -0.034 0.000 0.840 81 D CB -0.142 40.628 40.800 -0.049 0.000 0.947 81 D HN 0.386 nan 8.370 nan 0.000 0.452 82 A N -0.674 122.122 122.820 -0.040 0.000 2.251 82 A HA 0.418 4.737 4.320 -0.000 0.000 0.209 82 A C 1.674 179.260 177.584 0.004 0.000 1.187 82 A CA 1.007 53.027 52.037 -0.029 0.000 0.823 82 A CB -0.179 18.787 19.000 -0.056 0.000 0.846 82 A HN 0.261 nan 8.150 nan 0.000 0.486 83 G N -1.184 107.619 108.800 0.004 0.000 2.147 83 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.244 83 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.244 83 G C 0.582 175.498 174.900 0.027 0.000 1.005 83 G CA 0.526 45.633 45.100 0.012 0.000 0.713 83 G HN 0.486 nan 8.290 nan 0.000 0.515 84 L N -1.479 119.767 121.223 0.039 0.000 2.554 84 L HA 0.549 4.889 4.340 -0.000 0.000 0.225 84 L C 0.664 177.527 176.870 -0.010 0.000 1.104 84 L CA 0.130 55.012 54.840 0.070 0.000 0.866 84 L CB 0.442 42.612 42.059 0.185 0.000 1.047 84 L HN 0.280 nan 8.230 nan 0.000 0.468 85 L N -0.554 120.622 121.223 -0.079 0.000 2.464 85 L HA 0.410 4.749 4.340 -0.000 0.000 0.266 85 L C -0.841 175.958 176.870 -0.118 0.000 0.965 85 L CA -0.473 54.246 54.840 -0.201 0.000 0.833 85 L CB 1.695 43.487 42.059 -0.445 0.000 1.296 85 L HN -0.173 nan 8.230 nan 0.000 0.405 86 D N 3.290 123.660 120.400 -0.050 0.000 2.450 86 D HA 0.107 4.746 4.640 -0.000 0.000 0.247 86 D C 0.955 177.249 176.300 -0.010 0.000 1.162 86 D CA 0.779 54.781 54.000 0.002 0.000 0.879 86 D CB 1.917 42.750 40.800 0.056 0.000 1.163 86 D HN 0.803 nan 8.370 nan 0.000 0.472 87 A N 3.756 126.568 122.820 -0.013 0.000 2.076 87 A HA -0.060 4.260 4.320 -0.000 0.000 0.220 87 A C 1.702 179.294 177.584 0.014 0.000 1.160 87 A CA 1.656 53.687 52.037 -0.010 0.000 0.653 87 A CB -0.011 18.985 19.000 -0.007 0.000 0.801 87 A HN 0.586 nan 8.150 nan 0.000 0.455 88 A N -1.551 121.283 122.820 0.024 0.000 2.423 88 A HA 0.222 4.541 4.320 -0.000 0.000 0.246 88 A C 0.687 178.299 177.584 0.047 0.000 1.278 88 A CA -0.387 51.666 52.037 0.028 0.000 0.903 88 A CB -0.542 18.465 19.000 0.011 0.000 0.997 88 A HN 0.548 nan 8.150 nan 0.000 0.510 89 H N 1.908 120.969 119.070 -0.015 0.000 3.034 89 H HA 0.045 4.601 4.556 -0.000 0.000 0.324 89 H C -1.523 173.811 175.328 0.010 0.000 1.015 89 H CA -0.687 55.362 56.048 0.001 0.000 1.429 89 H CB 1.230 30.991 29.762 -0.001 0.000 1.429 89 H HN 0.172 nan 8.280 nan 0.000 0.585 90 P HA -0.050 nan 4.420 nan 0.000 0.233 90 P C 0.890 178.242 177.300 0.087 0.000 1.167 90 P CA 0.712 63.824 63.100 0.021 0.000 0.770 90 P CB 0.283 31.975 31.700 -0.013 0.000 0.837 91 T N -0.095 114.633 114.554 0.290 0.000 3.129 91 T HA 0.132 4.482 4.350 -0.000 0.000 0.251 91 T C 1.732 176.495 174.700 0.105 0.000 1.117 91 T CA 0.156 62.304 62.100 0.080 0.000 1.034 91 T CB -0.506 68.324 68.868 -0.063 0.000 0.968 91 T HN 0.058 nan 8.240 nan 0.000 0.526 92 L N 0.922 122.299 121.223 0.256 0.000 2.083 92 L HA -0.112 4.227 4.340 -0.000 0.000 0.209 92 L C 3.007 179.906 176.870 0.048 0.000 1.083 92 L CA 1.271 56.235 54.840 0.206 0.000 0.752 92 L CB -0.631 41.516 42.059 0.145 0.000 0.899 92 L HN 0.276 nan 8.230 nan 0.000 0.433 93 A N -0.394 122.422 122.820 -0.007 0.000 1.902 93 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 93 A C 2.334 179.821 177.584 -0.162 0.000 1.181 93 A CA 1.822 53.822 52.037 -0.062 0.000 0.623 93 A CB -0.800 18.167 19.000 -0.056 0.000 0.818 93 A HN 0.197 nan 8.150 nan 0.000 0.443 94 V N -0.382 119.368 119.914 -0.273 0.000 2.295 94 V HA -0.223 3.896 4.120 -0.000 0.000 0.246 94 V C 2.571 178.309 176.094 -0.592 0.000 1.049 94 V CA 1.981 63.939 62.300 -0.570 0.000 1.024 94 V CB -0.750 30.623 31.823 -0.749 0.000 0.648 94 V HN 0.376 nan 8.190 nan 0.000 0.447 95 V N 0.389 120.104 119.914 -0.332 0.000 2.407 95 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 95 V C 2.273 178.372 176.094 0.010 0.000 1.055 95 V CA 2.392 64.628 62.300 -0.106 0.000 1.049 95 V CB -0.696 31.138 31.823 0.019 0.000 0.662 95 V HN 0.629 nan 8.190 nan 0.000 0.455 96 D N 0.107 120.502 120.400 -0.007 0.000 2.117 96 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 96 D C 2.131 178.440 176.300 0.014 0.000 0.987 96 D CA 1.443 55.455 54.000 0.020 0.000 0.829 96 D CB -0.124 40.682 40.800 0.010 0.000 0.961 96 D HN 0.373 nan 8.370 nan 0.000 0.460 97 A N 0.018 122.809 122.820 -0.048 0.000 1.877 97 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 97 A C 2.026 179.679 177.584 0.115 0.000 1.186 97 A CA 1.241 53.259 52.037 -0.031 0.000 0.620 97 A CB -1.206 17.715 19.000 -0.132 0.000 0.822 97 A HN 0.402 nan 8.150 nan 0.000 0.443 98 W N 0.708 122.016 121.300 0.013 0.000 2.363 98 W HA -0.058 4.602 4.660 -0.000 0.000 0.296 98 W C 2.611 179.192 176.519 0.104 0.000 1.212 98 W CA 1.072 58.481 57.345 0.106 0.000 1.260 98 W CB -1.427 28.140 29.460 0.177 0.000 1.131 98 W HN 0.351 nan 8.180 nan 0.000 0.530 99 S N -0.257 115.589 115.700 0.245 0.000 2.423 99 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 99 S C 1.810 176.468 174.600 0.097 0.000 1.014 99 S CA 1.355 59.630 58.200 0.124 0.000 0.965 99 S CB -0.291 62.964 63.200 0.090 0.000 0.785 99 S HN 0.102 nan 8.310 nan 0.000 0.495 100 S N 0.901 116.651 115.700 0.083 0.000 2.528 100 S HA 0.274 4.744 4.470 -0.000 0.000 0.219 100 S C 0.631 175.227 174.600 -0.007 0.000 0.985 100 S CA -0.077 58.145 58.200 0.036 0.000 0.914 100 S CB -0.157 63.053 63.200 0.017 0.000 0.776 100 S HN 0.363 nan 8.310 nan 0.000 0.526 101 L N 1.657 122.859 121.223 -0.035 0.000 2.499 101 L HA 0.011 4.351 4.340 -0.000 0.000 0.281 101 L C 0.193 176.928 176.870 -0.226 0.000 1.234 101 L CA -0.060 54.603 54.840 -0.294 0.000 0.839 101 L CB -0.347 41.408 42.059 -0.507 0.000 1.104 101 L HN 0.370 nan 8.230 nan 0.000 0.500 102 Y N 0.617 120.917 120.300 -0.001 0.000 3.389 102 Y HA -0.196 4.354 4.550 -0.000 0.000 0.213 102 Y C 1.335 177.231 175.900 -0.006 0.000 1.272 102 Y CA 0.798 58.888 58.100 -0.017 0.000 1.444 102 Y CB -2.469 35.968 38.460 -0.038 0.000 1.445 102 Y HN 0.895 nan 8.280 nan 0.000 0.583 103 G N -1.345 107.491 108.800 0.060 0.000 2.179 103 G HA2 0.111 4.071 3.960 -0.000 0.000 0.257 103 G HA3 0.111 4.071 3.960 -0.000 0.000 0.257 103 G C 1.294 176.228 174.900 0.056 0.000 1.010 103 G CA 1.125 46.255 45.100 0.050 0.000 0.736 103 G HN 2.218 nan 8.290 nan 0.000 0.513 104 G N -1.885 106.954 108.800 0.065 0.000 2.132 104 G HA2 0.135 4.095 3.960 -0.000 0.000 0.228 104 G HA3 0.135 4.095 3.960 -0.000 0.000 0.228 104 G C 1.424 176.368 174.900 0.073 0.000 1.000 104 G CA 1.102 46.240 45.100 0.064 0.000 0.693 104 G HN 2.021 nan 8.290 nan 0.000 0.515 105 A N 0.084 122.963 122.820 0.099 0.000 1.933 105 A HA 0.321 4.641 4.320 -0.000 0.000 0.218 105 A C -0.212 177.380 177.584 0.014 0.000 1.175 105 A CA 1.609 53.683 52.037 0.061 0.000 0.628 105 A CB -0.799 18.231 19.000 0.050 0.000 0.814 105 A HN 0.498 nan 8.150 nan 0.000 0.444 106 P HA 0.304 nan 4.420 nan 0.000 0.269 106 P C -0.805 176.457 177.300 -0.065 0.000 1.215 106 P CA 0.157 63.186 63.100 -0.119 0.000 0.780 106 P CB 0.984 32.593 31.700 -0.151 0.000 0.898 107 V N 3.237 123.109 119.914 -0.070 0.000 2.448 107 V HA 0.238 4.358 4.120 -0.000 0.000 0.295 107 V C 0.153 176.295 176.094 0.079 0.000 1.025 107 V CA -0.594 61.750 62.300 0.074 0.000 0.859 107 V CB 1.384 33.329 31.823 0.203 0.000 0.988 107 V HN 0.464 nan 8.190 nan 0.000 0.431 108 Q N 2.058 121.932 119.800 0.122 0.000 2.288 108 Q HA 0.563 4.903 4.340 -0.000 0.000 0.254 108 Q C -0.321 175.826 176.000 0.245 0.000 0.932 108 Q CA -0.094 55.798 55.803 0.149 0.000 0.902 108 Q CB 1.519 30.344 28.738 0.146 0.000 1.203 108 Q HN 0.800 nan 8.270 nan 0.000 0.415 109 S N -0.098 115.726 115.700 0.207 0.000 2.715 109 S HA 0.878 5.347 4.470 -0.000 0.000 0.307 109 S C -0.596 173.713 174.600 -0.486 0.000 1.119 109 S CA -0.778 57.397 58.200 -0.042 0.000 0.937 109 S CB 1.928 65.262 63.200 0.223 0.000 1.150 109 S HN 0.716 nan 8.310 nan 0.000 0.521 110 G N 0.447 108.471 108.800 -1.293 0.000 2.682 110 G HA2 0.619 4.578 3.960 -0.000 0.000 0.300 110 G HA3 0.619 4.578 3.960 -0.000 0.000 0.300 110 G C -2.229 171.988 174.900 -1.138 0.000 1.391 110 G CA -0.525 43.841 45.100 -1.224 0.000 0.990 110 G HN 0.464 nan 8.290 nan 0.000 0.501 111 D N 0.034 119.800 120.400 -1.057 0.000 2.498 111 D HA 0.712 5.351 4.640 -0.000 0.000 0.247 111 D C -0.896 174.749 176.300 -1.092 0.000 1.070 111 D CA 0.026 53.559 54.000 -0.779 0.000 0.842 111 D CB 1.976 42.511 40.800 -0.441 0.000 1.361 111 D HN 0.189 nan 8.370 nan 0.000 0.484 112 F N 0.242 119.936 119.950 -0.426 0.000 2.599 112 F HA 0.385 4.911 4.527 -0.000 0.000 0.311 112 F C -0.086 175.455 175.800 -0.432 0.000 1.076 112 F CA -0.980 56.731 58.000 -0.482 0.000 0.937 112 F CB 1.796 40.308 39.000 -0.814 0.000 1.282 112 F HN -0.051 nan 8.300 nan 0.000 0.460 113 D N 0.731 121.129 120.400 -0.002 0.000 2.256 113 D HA 0.439 5.079 4.640 -0.000 0.000 0.246 113 D C 0.679 177.109 176.300 0.218 0.000 1.042 113 D CA -0.298 53.753 54.000 0.084 0.000 0.841 113 D CB 2.083 42.919 40.800 0.059 0.000 1.223 113 D HN 0.627 nan 8.370 nan 0.000 0.470 114 A N 2.052 125.050 122.820 0.296 0.000 2.024 114 A HA -0.060 4.260 4.320 -0.000 0.000 0.220 114 A C 1.778 179.423 177.584 0.101 0.000 1.164 114 A CA 1.890 54.077 52.037 0.249 0.000 0.643 114 A CB -0.328 18.753 19.000 0.135 0.000 0.806 114 A HN 0.596 nan 8.150 nan 0.000 0.451 115 G N -2.109 106.733 108.800 0.071 0.000 3.020 115 G HA2 0.240 4.199 3.960 -0.000 0.000 0.217 115 G HA3 0.240 4.199 3.960 -0.000 0.000 0.217 115 G C 1.272 176.195 174.900 0.039 0.000 1.144 115 G CA 0.191 45.305 45.100 0.023 0.000 0.760 115 G HN 0.493 nan 8.290 nan 0.000 0.548 116 R N -1.026 119.516 120.500 0.070 0.000 2.539 116 R HA 0.321 4.661 4.340 -0.000 0.000 0.342 116 R C 1.241 177.602 176.300 0.101 0.000 0.941 116 R CA 0.253 56.394 56.100 0.070 0.000 1.146 116 R CB 1.227 31.559 30.300 0.053 0.000 1.541 116 R HN 0.342 nan 8.270 nan 0.000 0.525 117 G N 2.538 111.427 108.800 0.149 0.000 2.498 117 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.251 117 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.251 117 G C -0.138 174.919 174.900 0.262 0.000 1.170 117 G CA 0.086 45.319 45.100 0.222 0.000 0.944 117 G HN 0.205 nan 8.290 nan 0.000 0.567 118 M N 2.089 121.850 119.600 0.268 0.000 2.252 118 M HA 0.508 4.988 4.480 -0.000 0.000 0.348 118 M C 1.239 177.529 176.300 -0.015 0.000 1.334 118 M CA 1.436 56.788 55.300 0.087 0.000 1.071 118 M CB 0.898 33.523 32.600 0.042 0.000 1.763 118 M HN 1.411 nan 8.290 nan 0.000 0.452 119 A N 5.586 128.321 122.820 -0.142 0.000 1.995 119 A HA 0.360 4.680 4.320 -0.000 0.000 0.200 119 A C 0.042 177.664 177.584 0.064 0.000 1.566 119 A CA 0.314 52.335 52.037 -0.026 0.000 0.895 119 A CB 0.534 19.483 19.000 -0.085 0.000 1.046 119 A HN 0.717 nan 8.150 nan 0.000 0.523 120 K N -0.261 120.093 120.400 -0.077 0.000 2.502 120 K HA 0.546 4.865 4.320 -0.000 0.000 0.257 120 K C -1.672 174.887 176.600 -0.068 0.000 0.938 120 K CA -0.462 55.785 56.287 -0.067 0.000 0.819 120 K CB 2.115 34.563 32.500 -0.087 0.000 1.333 120 K HN 0.083 nan 8.250 nan 0.000 0.434 121 T N 1.731 116.277 114.554 -0.013 0.000 2.771 121 T HA 0.260 4.610 4.350 -0.000 0.000 0.281 121 T C -1.310 173.404 174.700 0.024 0.000 0.982 121 T CA -0.634 61.499 62.100 0.055 0.000 0.978 121 T CB 0.565 69.596 68.868 0.272 0.000 0.930 121 T HN 0.406 nan 8.240 nan 0.000 0.447 122 W N 6.138 127.340 121.300 -0.164 0.000 2.475 122 W HA 0.577 5.236 4.660 -0.000 0.000 0.317 122 W C -2.165 174.274 176.519 -0.133 0.000 1.046 122 W CA -1.145 56.117 57.345 -0.137 0.000 1.215 122 W CB 0.558 29.948 29.460 -0.117 0.000 1.335 122 W HN 0.480 nan 8.180 nan 0.000 0.471 123 L N 7.615 128.517 121.223 -0.536 0.000 2.296 123 L HA 0.223 4.563 4.340 -0.000 0.000 0.286 123 L C -0.710 175.603 176.870 -0.930 0.000 1.023 123 L CA -1.084 53.350 54.840 -0.677 0.000 0.812 123 L CB 1.375 42.858 42.059 -0.961 0.000 1.223 123 L HN 0.345 nan 8.230 nan 0.000 0.421 124 Y N 2.973 122.818 120.300 -0.759 0.000 2.326 124 Y HA 0.284 4.833 4.550 -0.000 0.000 0.337 124 Y C 0.046 175.467 175.900 -0.799 0.000 1.023 124 Y CA -0.709 56.846 58.100 -0.909 0.000 1.143 124 Y CB 0.910 38.768 38.460 -1.004 0.000 1.183 124 Y HN 0.451 nan 8.280 nan 0.000 0.485 125 F N 3.547 122.803 119.950 -1.156 0.000 2.765 125 F HA 0.240 4.767 4.527 -0.000 0.000 0.302 125 F C 1.808 177.021 175.800 -0.979 0.000 1.111 125 F CA 0.620 58.123 58.000 -0.829 0.000 1.359 125 F CB 0.138 38.765 39.000 -0.621 0.000 1.097 125 F HN 0.892 nan 8.300 nan 0.000 0.577 126 G N 0.065 107.909 108.800 -1.593 0.000 2.132 126 G HA2 0.104 4.064 3.960 -0.000 0.000 0.234 126 G HA3 0.104 4.064 3.960 -0.000 0.000 0.234 126 G C 0.455 175.010 174.900 -0.575 0.000 0.989 126 G CA -0.069 44.437 45.100 -0.990 0.000 0.676 126 G HN 0.985 nan 8.290 nan 0.000 0.522 127 G N -1.640 106.800 108.800 -0.600 0.000 2.343 127 G HA2 0.474 4.433 3.960 -0.000 0.000 0.289 127 G HA3 0.474 4.433 3.960 -0.000 0.000 0.289 127 G C -0.831 173.870 174.900 -0.331 0.000 1.295 127 G CA -0.548 44.346 45.100 -0.344 0.000 0.869 127 G HN 0.908 nan 8.290 nan 0.000 0.522 128 L N 1.856 122.934 121.223 -0.241 0.000 2.401 128 L HA 0.378 4.717 4.340 -0.000 0.000 0.283 128 L C 0.372 177.166 176.870 -0.126 0.000 1.151 128 L CA -0.641 54.089 54.840 -0.183 0.000 0.942 128 L CB 0.163 42.090 42.059 -0.220 0.000 1.283 128 L HN 0.205 nan 8.230 nan 0.000 0.442 129 R N 3.469 123.847 120.500 -0.204 0.000 2.297 129 R HA 0.375 4.715 4.340 -0.000 0.000 0.308 129 R C -2.394 173.815 176.300 -0.153 0.000 1.029 129 R CA -2.781 53.178 56.100 -0.237 0.000 0.929 129 R CB 0.402 30.458 30.300 -0.406 0.000 1.046 129 R HN 0.149 nan 8.270 nan 0.000 0.461 130 P HA -0.054 nan 4.420 nan 0.000 0.262 130 P C 0.335 177.500 177.300 -0.224 0.000 1.182 130 P CA 0.373 63.349 63.100 -0.206 0.000 0.761 130 P CB 0.571 32.197 31.700 -0.122 0.000 0.795 131 A N 3.897 126.580 122.820 -0.227 0.000 1.948 131 A HA -0.266 4.053 4.320 -0.000 0.000 0.220 131 A C 2.132 179.657 177.584 -0.098 0.000 1.177 131 A CA 1.894 53.847 52.037 -0.140 0.000 0.636 131 A CB -1.162 17.870 19.000 0.053 0.000 0.815 131 A HN 0.637 nan 8.150 nan 0.000 0.449 132 E N -0.259 119.895 120.200 -0.077 0.000 2.085 132 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 132 E C 1.265 177.829 176.600 -0.059 0.000 0.994 132 E CA 1.431 57.805 56.400 -0.043 0.000 0.801 132 E CB -0.135 29.540 29.700 -0.041 0.000 0.743 132 E HN 0.571 nan 8.360 nan 0.000 0.453 133 D N 0.241 120.583 120.400 -0.096 0.000 2.149 133 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 133 D C 1.810 178.025 176.300 -0.143 0.000 0.990 133 D CA 0.856 54.789 54.000 -0.111 0.000 0.839 133 D CB -0.040 40.708 40.800 -0.087 0.000 0.948 133 D HN 0.276 nan 8.370 nan 0.000 0.460 134 I N 0.029 120.459 120.570 -0.234 0.000 2.400 134 I HA -0.066 4.103 4.170 -0.000 0.000 0.248 134 I C 2.205 178.370 176.117 0.080 0.000 1.109 134 I CA 0.662 61.784 61.300 -0.297 0.000 1.425 134 I CB -0.902 36.658 38.000 -0.734 0.000 1.094 134 I HN 0.029 nan 8.210 nan 0.000 0.425 135 L N 0.476 121.723 121.223 0.041 0.000 2.591 135 L HA 0.018 4.357 4.340 -0.000 0.000 0.228 135 L C 1.446 178.388 176.870 0.120 0.000 1.133 135 L CA 0.710 55.638 54.840 0.147 0.000 0.880 135 L CB -0.414 41.744 42.059 0.165 0.000 1.033 135 L HN 0.328 nan 8.230 nan 0.000 0.450 136 T N -3.311 111.289 114.554 0.076 0.000 3.200 136 T HA 0.208 4.558 4.350 -0.000 0.000 0.284 136 T C 0.394 175.112 174.700 0.030 0.000 1.009 136 T CA -0.314 61.813 62.100 0.045 0.000 0.907 136 T CB -0.422 68.458 68.868 0.020 0.000 1.120 136 T HN -0.025 nan 8.240 nan 0.000 0.534 137 V N 0.239 120.186 119.914 0.055 0.000 2.694 137 V HA 0.282 4.401 4.120 -0.000 0.000 0.306 137 V C -1.107 174.977 176.094 -0.018 0.000 1.054 137 V CA -1.293 61.017 62.300 0.015 0.000 1.161 137 V CB 0.317 32.156 31.823 0.026 0.000 0.916 137 V HN 0.033 nan 8.190 nan 0.000 0.490 138 P HA -0.080 nan 4.420 nan 0.000 0.221 138 P C 1.470 178.744 177.300 -0.044 0.000 1.145 138 P CA 1.903 64.986 63.100 -0.028 0.000 0.795 138 P CB 0.020 31.705 31.700 -0.026 0.000 0.775 139 A N -0.669 122.106 122.820 -0.076 0.000 2.070 139 A HA -0.080 4.240 4.320 -0.000 0.000 0.220 139 A C 1.282 178.801 177.584 -0.110 0.000 1.159 139 A CA 0.766 52.740 52.037 -0.105 0.000 0.656 139 A CB -1.153 17.745 19.000 -0.170 0.000 0.800 139 A HN 0.180 nan 8.150 nan 0.000 0.453 140 L N 1.111 122.279 121.223 -0.092 0.000 2.326 140 L HA 0.300 4.640 4.340 -0.000 0.000 0.278 140 L C -2.097 174.764 176.870 -0.015 0.000 1.092 140 L CA -2.234 52.569 54.840 -0.062 0.000 0.810 140 L CB 1.047 43.096 42.059 -0.018 0.000 1.153 140 L HN 0.069 nan 8.230 nan 0.000 0.439 141 P HA 0.069 nan 4.420 nan 0.000 0.274 141 P C 0.151 177.467 177.300 0.026 0.000 1.246 141 P CA -0.367 62.747 63.100 0.023 0.000 0.795 141 P CB 0.811 32.541 31.700 0.050 0.000 1.006 142 A N 1.688 124.521 122.820 0.023 0.000 1.917 142 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 142 A C 2.222 179.819 177.584 0.022 0.000 1.182 142 A CA 2.635 54.683 52.037 0.019 0.000 0.633 142 A CB -1.889 17.119 19.000 0.013 0.000 0.819 142 A HN 0.664 nan 8.150 nan 0.000 0.448 143 S N -0.591 115.126 115.700 0.027 0.000 2.399 143 S HA -0.098 4.371 4.470 -0.000 0.000 0.231 143 S C 1.687 176.307 174.600 0.033 0.000 1.022 143 S CA 1.431 59.647 58.200 0.026 0.000 0.983 143 S CB -0.749 62.471 63.200 0.034 0.000 0.803 143 S HN 0.277 nan 8.310 nan 0.000 0.480 144 V N 2.140 122.083 119.914 0.049 0.000 2.346 144 V HA -0.112 4.008 4.120 -0.000 0.000 0.244 144 V C 2.849 178.995 176.094 0.086 0.000 1.037 144 V CA 1.713 64.058 62.300 0.075 0.000 1.029 144 V CB -0.989 30.882 31.823 0.080 0.000 0.663 144 V HN 0.499 nan 8.190 nan 0.000 0.454 145 Q N 0.383 120.223 119.800 0.066 0.000 2.181 145 Q HA -0.193 4.147 4.340 -0.000 0.000 0.205 145 Q C 2.339 178.365 176.000 0.043 0.000 0.980 145 Q CA 1.682 57.524 55.803 0.064 0.000 0.862 145 Q CB -0.456 28.307 28.738 0.042 0.000 0.905 145 Q HN 0.664 nan 8.270 nan 0.000 0.429 146 A N 1.129 123.960 122.820 0.018 0.000 2.070 146 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 146 A C 1.817 179.370 177.584 -0.052 0.000 1.159 146 A CA 0.914 52.943 52.037 -0.013 0.000 0.656 146 A CB -0.154 18.835 19.000 -0.018 0.000 0.800 146 A HN 0.115 nan 8.150 nan 0.000 0.453 147 R N -0.803 119.663 120.500 -0.056 0.000 2.235 147 R HA 0.011 4.351 4.340 -0.000 0.000 0.213 147 R C 1.782 177.936 176.300 -0.245 0.000 1.059 147 R CA 0.700 56.669 56.100 -0.218 0.000 0.997 147 R CB -1.355 28.813 30.300 -0.221 0.000 0.884 147 R HN 0.553 nan 8.270 nan 0.000 0.462 148 L N 2.497 123.738 121.223 0.030 0.000 2.021 148 L HA -0.260 4.080 4.340 -0.000 0.000 0.215 148 L C 2.167 179.057 176.870 0.034 0.000 1.074 148 L CA 2.120 57.049 54.840 0.148 0.000 0.760 148 L CB -0.504 41.623 42.059 0.114 0.000 0.889 148 L HN 0.213 nan 8.230 nan 0.000 0.433 149 K N -1.757 118.618 120.400 -0.041 0.000 2.147 149 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 149 K C 1.551 178.090 176.600 -0.102 0.000 1.049 149 K CA 1.600 57.856 56.287 -0.052 0.000 0.936 149 K CB -0.635 31.835 32.500 -0.051 0.000 0.722 149 K HN 0.363 nan 8.250 nan 0.000 0.446 150 D N 0.711 120.978 120.400 -0.223 0.000 2.117 150 D HA -0.091 4.548 4.640 -0.000 0.000 0.198 150 D C 1.831 177.964 176.300 -0.278 0.000 0.982 150 D CA 1.016 54.836 54.000 -0.300 0.000 0.828 150 D CB -0.239 40.287 40.800 -0.457 0.000 0.967 150 D HN 0.194 nan 8.370 nan 0.000 0.464 151 F N 1.130 121.008 119.950 -0.120 0.000 2.146 151 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 151 F C 2.502 178.211 175.800 -0.151 0.000 1.096 151 F CA 0.442 58.310 58.000 -0.220 0.000 1.275 151 F CB -0.969 37.866 39.000 -0.276 0.000 1.008 151 F HN -0.087 nan 8.300 nan 0.000 0.480 152 L N -0.460 120.817 121.223 0.089 0.000 2.083 152 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 152 L C 2.619 179.506 176.870 0.029 0.000 1.083 152 L CA 1.121 55.987 54.840 0.044 0.000 0.752 152 L CB -1.049 41.022 42.059 0.020 0.000 0.899 152 L HN 0.146 nan 8.230 nan 0.000 0.433 153 A N -0.172 122.650 122.820 0.003 0.000 2.067 153 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 153 A C 2.071 179.664 177.584 0.015 0.000 1.158 153 A CA 1.054 53.091 52.037 -0.001 0.000 0.661 153 A CB -0.422 18.561 19.000 -0.028 0.000 0.801 153 A HN 0.416 nan 8.150 nan 0.000 0.452 154 L N -1.317 119.918 121.223 0.019 0.000 2.592 154 L HA 0.215 4.555 4.340 -0.000 0.000 0.227 154 L C 1.608 178.524 176.870 0.078 0.000 1.127 154 L CA 0.473 55.336 54.840 0.039 0.000 0.884 154 L CB -0.119 41.955 42.059 0.025 0.000 1.065 154 L HN 0.539 nan 8.230 nan 0.000 0.457 155 G N 0.771 109.625 108.800 0.090 0.000 2.148 155 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 155 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 155 G C 0.254 175.246 174.900 0.152 0.000 0.981 155 G CA -0.178 45.015 45.100 0.156 0.000 0.670 155 G HN 0.275 nan 8.290 nan 0.000 0.528 156 L N 0.434 121.688 121.223 0.051 0.000 2.389 156 L HA 0.551 4.891 4.340 -0.000 0.000 0.265 156 L C 1.523 178.417 176.870 0.040 0.000 1.167 156 L CA 0.220 55.030 54.840 -0.051 0.000 1.045 156 L CB 0.665 42.443 42.059 -0.468 0.000 1.351 156 L HN 0.282 nan 8.230 nan 0.000 0.419 157 A N 0.906 123.796 122.820 0.117 0.000 2.343 157 A HA 0.209 4.529 4.320 -0.000 0.000 0.223 157 A C 0.174 177.476 177.584 -0.471 0.000 1.214 157 A CA 0.195 52.153 52.037 -0.132 0.000 0.900 157 A CB -0.003 18.849 19.000 -0.247 0.000 0.942 157 A HN 0.606 nan 8.150 nan 0.000 0.507 158 H N -1.891 117.242 119.070 0.106 0.000 2.717 158 H HA 0.612 5.168 4.556 -0.000 0.000 0.366 158 H C -1.119 174.143 175.328 -0.110 0.000 1.132 158 H CA -0.618 55.411 56.048 -0.031 0.000 1.180 158 H CB 2.074 31.809 29.762 -0.045 0.000 1.678 158 H HN -0.040 nan 8.280 nan 0.000 0.537 159 V N 3.347 123.125 119.914 -0.226 0.000 2.555 159 V HA 0.353 4.473 4.120 -0.000 0.000 0.302 159 V C 0.660 176.532 176.094 -0.370 0.000 1.038 159 V CA -0.568 61.452 62.300 -0.467 0.000 0.887 159 V CB 1.816 33.190 31.823 -0.748 0.000 0.991 159 V HN 0.843 nan 8.190 nan 0.000 0.434 160 R N 2.346 122.661 120.500 -0.309 0.000 2.221 160 R HA 0.399 4.739 4.340 -0.000 0.000 0.195 160 R C -0.631 175.233 176.300 -0.726 0.000 0.956 160 R CA 0.625 56.448 56.100 -0.462 0.000 1.064 160 R CB 0.559 30.623 30.300 -0.392 0.000 1.049 160 R HN 0.557 nan 8.270 nan 0.000 0.534 161 F N -0.637 119.157 119.950 -0.260 0.000 2.626 161 F HA 0.653 5.179 4.527 -0.000 0.000 0.311 161 F C -0.792 174.693 175.800 -0.525 0.000 1.088 161 F CA -1.308 56.294 58.000 -0.663 0.000 0.949 161 F CB 1.894 40.081 39.000 -1.355 0.000 1.322 161 F HN -0.202 nan 8.300 nan 0.000 0.461 162 A N 0.930 123.440 122.820 -0.518 0.000 2.422 162 A HA 0.882 5.201 4.320 -0.000 0.000 0.302 162 A C -1.600 175.739 177.584 -0.408 0.000 1.041 162 A CA -0.661 51.159 52.037 -0.362 0.000 0.708 162 A CB 1.275 20.010 19.000 -0.441 0.000 1.257 162 A HN 1.125 nan 8.150 nan 0.000 0.414 163 A N 2.053 124.792 122.820 -0.135 0.000 2.267 163 A HA 0.617 4.936 4.320 -0.000 0.000 0.315 163 A C -0.600 176.984 177.584 -0.000 0.000 1.297 163 A CA -0.388 51.663 52.037 0.022 0.000 0.865 163 A CB 0.466 19.641 19.000 0.291 0.000 1.165 163 A HN 1.102 nan 8.150 nan 0.000 0.513 164 V N 3.227 123.066 119.914 -0.125 0.000 2.406 164 V HA 0.181 4.301 4.120 -0.000 0.000 0.272 164 V C -0.125 175.689 176.094 -0.466 0.000 1.043 164 V CA -0.402 61.710 62.300 -0.313 0.000 0.915 164 V CB 1.358 32.840 31.823 -0.568 0.000 0.988 164 V HN 0.872 nan 8.190 nan 0.000 0.466 165 D N 4.130 124.371 120.400 -0.265 0.000 2.411 165 D HA 0.149 4.789 4.640 -0.000 0.000 0.225 165 D C 0.544 176.784 176.300 -0.099 0.000 1.156 165 D CA -0.355 53.580 54.000 -0.108 0.000 0.874 165 D CB 0.754 41.611 40.800 0.094 0.000 1.034 165 D HN 0.533 nan 8.370 nan 0.000 0.502 166 W N 2.969 124.257 121.300 -0.021 0.000 2.425 166 W HA -0.001 4.659 4.660 -0.000 0.000 0.277 166 W C 2.367 179.011 176.519 0.209 0.000 1.231 166 W CA -0.055 57.253 57.345 -0.063 0.000 1.248 166 W CB 0.082 29.411 29.460 -0.217 0.000 1.117 166 W HN 0.342 nan 8.180 nan 0.000 0.568 167 R N -0.932 119.717 120.500 0.248 0.000 2.090 167 R HA -0.080 4.260 4.340 -0.000 0.000 0.228 167 R C 0.942 177.165 176.300 -0.129 0.000 1.110 167 R CA 1.314 57.410 56.100 -0.006 0.000 0.973 167 R CB -0.336 29.764 30.300 -0.333 0.000 0.869 167 R HN 0.339 nan 8.270 nan 0.000 0.440 168 H N -1.817 117.399 119.070 0.242 0.000 2.652 168 H HA 0.210 4.766 4.556 -0.000 0.000 0.274 168 H C -0.626 174.821 175.328 0.200 0.000 1.021 168 H CA -0.079 56.050 56.048 0.135 0.000 1.187 168 H CB 0.294 30.106 29.762 0.083 0.000 1.505 168 H HN 0.298 nan 8.280 nan 0.000 0.530 169 H N 0.304 119.477 119.070 0.172 0.000 2.713 169 H HA -0.158 4.398 4.556 -0.000 0.000 0.311 169 H C -0.287 175.036 175.328 -0.008 0.000 1.175 169 H CA 0.160 56.255 56.048 0.079 0.000 1.143 169 H CB -1.322 28.501 29.762 0.101 0.000 1.434 169 H HN 0.464 nan 8.280 nan 0.000 0.418 170 S N -0.445 115.330 115.700 0.126 0.000 2.634 170 S HA 0.922 5.391 4.470 -0.000 0.000 0.296 170 S C -0.290 174.330 174.600 0.034 0.000 1.104 170 S CA -0.395 57.852 58.200 0.078 0.000 0.920 170 S CB 3.346 66.612 63.200 0.109 0.000 1.111 170 S HN 0.617 nan 8.310 nan 0.000 0.493 171 A N 1.401 124.264 122.820 0.071 0.000 2.414 171 A HA 0.766 5.086 4.320 -0.000 0.000 0.306 171 A C -1.128 176.506 177.584 0.084 0.000 1.054 171 A CA -0.912 51.184 52.037 0.098 0.000 0.724 171 A CB 0.953 20.107 19.000 0.257 0.000 1.267 171 A HN 0.722 nan 8.150 nan 0.000 0.418 172 N N 0.963 119.707 118.700 0.073 0.000 2.439 172 N HA 0.447 5.187 4.740 -0.000 0.000 0.249 172 N C -0.858 174.654 175.510 0.004 0.000 1.003 172 N CA -0.079 52.991 53.050 0.034 0.000 0.942 172 N CB 1.505 40.045 38.487 0.088 0.000 1.115 172 N HN 0.330 nan 8.380 nan 0.000 0.505 173 V N 3.548 123.395 119.914 -0.110 0.000 2.394 173 V HA 0.279 4.399 4.120 -0.000 0.000 0.282 173 V C -0.629 175.255 176.094 -0.351 0.000 1.031 173 V CA -0.624 61.515 62.300 -0.267 0.000 0.881 173 V CB 0.406 31.967 31.823 -0.437 0.000 0.982 173 V HN 0.450 nan 8.190 nan 0.000 0.451 174 Y N 4.829 124.900 120.300 -0.381 0.000 2.434 174 Y HA 0.570 5.120 4.550 -0.000 0.000 0.341 174 Y C -0.093 175.636 175.900 -0.285 0.000 0.965 174 Y CA -0.665 57.364 58.100 -0.117 0.000 1.205 174 Y CB 0.741 39.270 38.460 0.114 0.000 1.121 174 Y HN 0.493 nan 8.280 nan 0.000 0.507 175 F N 2.492 122.440 119.950 -0.003 0.000 2.403 175 F HA 0.612 5.139 4.527 -0.000 0.000 0.326 175 F C 0.369 176.171 175.800 0.005 0.000 1.081 175 F CA -0.965 57.005 58.000 -0.051 0.000 1.041 175 F CB 1.252 40.175 39.000 -0.129 0.000 1.234 175 F HN 0.214 nan 8.300 nan 0.000 0.503 176 R N 0.508 121.101 120.500 0.155 0.000 2.534 176 R HA 0.696 5.035 4.340 -0.000 0.000 0.301 176 R C -0.632 175.618 176.300 -0.083 0.000 0.961 176 R CA -0.571 55.529 56.100 -0.000 0.000 0.871 176 R CB 1.527 31.826 30.300 -0.002 0.000 1.170 176 R HN 0.883 nan 8.270 nan 0.000 0.446 177 G N 2.309 110.828 108.800 -0.469 0.000 2.454 177 G HA2 0.241 4.201 3.960 -0.000 0.000 0.329 177 G HA3 0.241 4.201 3.960 -0.000 0.000 0.329 177 G C -1.311 173.301 174.900 -0.481 0.000 1.177 177 G CA -0.695 44.092 45.100 -0.523 0.000 0.951 177 G HN 0.517 nan 8.290 nan 0.000 0.485 178 K N 0.650 120.869 120.400 -0.302 0.000 2.316 178 K HA 0.463 4.783 4.320 -0.000 0.000 0.289 178 K C 0.630 177.234 176.600 0.007 0.000 1.070 178 K CA -0.154 56.012 56.287 -0.203 0.000 0.928 178 K CB 0.408 32.696 32.500 -0.352 0.000 1.039 178 K HN 0.522 nan 8.250 nan 0.000 0.480 179 G N 3.916 112.776 108.800 0.100 0.000 2.890 179 G HA2 0.442 4.402 3.960 -0.000 0.000 0.189 179 G HA3 0.442 4.402 3.960 -0.000 0.000 0.189 179 G C -2.498 172.458 174.900 0.093 0.000 1.342 179 G CA -0.937 44.307 45.100 0.240 0.000 1.026 179 G HN 0.533 nan 8.290 nan 0.000 0.579 180 P HA 0.191 nan 4.420 nan 0.000 0.270 180 P C -0.462 176.881 177.300 0.072 0.000 1.223 180 P CA -0.489 62.665 63.100 0.090 0.000 0.785 180 P CB 0.860 32.571 31.700 0.018 0.000 0.923 181 L N 2.902 124.119 121.223 -0.011 0.000 2.455 181 L HA 0.179 4.518 4.340 -0.000 0.000 0.272 181 L C 0.159 176.929 176.870 -0.167 0.000 1.174 181 L CA 0.707 55.381 54.840 -0.277 0.000 0.869 181 L CB -0.610 41.136 42.059 -0.521 0.000 1.130 181 L HN 0.438 nan 8.230 nan 0.000 0.474 182 D N 0.748 121.063 120.400 -0.141 0.000 2.553 182 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 182 D C 0.916 177.153 176.300 -0.104 0.000 1.062 182 D CA 0.034 53.970 54.000 -0.107 0.000 1.085 182 D CB 0.552 41.313 40.800 -0.065 0.000 1.350 182 D HN 0.516 nan 8.370 nan 0.000 0.575 183 T N -2.227 112.265 114.554 -0.103 0.000 2.788 183 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 183 T C 1.824 176.507 174.700 -0.028 0.000 1.044 183 T CA 1.433 63.470 62.100 -0.105 0.000 1.139 183 T CB -0.739 68.056 68.868 -0.123 0.000 0.867 183 T HN 0.212 nan 8.240 nan 0.000 0.454 184 V N 1.671 121.569 119.914 -0.027 0.000 2.379 184 V HA -0.104 4.016 4.120 -0.000 0.000 0.245 184 V C 2.929 179.026 176.094 0.004 0.000 1.044 184 V CA 1.970 64.266 62.300 -0.008 0.000 1.036 184 V CB -0.889 30.927 31.823 -0.013 0.000 0.664 184 V HN 0.446 nan 8.190 nan 0.000 0.453 185 Q N -0.071 119.723 119.800 -0.009 0.000 2.119 185 Q HA -0.200 4.140 4.340 -0.000 0.000 0.201 185 Q C 1.916 177.907 176.000 -0.014 0.000 0.972 185 Q CA 1.969 57.764 55.803 -0.013 0.000 0.847 185 Q CB -0.598 28.116 28.738 -0.040 0.000 0.903 185 Q HN 0.583 nan 8.270 nan 0.000 0.433 186 F N 0.348 120.189 119.950 -0.181 0.000 2.069 186 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 186 F C 1.966 177.711 175.800 -0.091 0.000 1.113 186 F CA 1.891 59.763 58.000 -0.213 0.000 1.214 186 F CB -0.749 38.017 39.000 -0.389 0.000 0.978 186 F HN 0.155 nan 8.300 nan 0.000 0.474 187 A N 0.552 123.451 122.820 0.132 0.000 1.908 187 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 187 A C 2.318 179.897 177.584 -0.008 0.000 1.181 187 A CA 1.949 54.020 52.037 0.057 0.000 0.627 187 A CB -0.783 18.242 19.000 0.042 0.000 0.818 187 A HN 0.503 nan 8.150 nan 0.000 0.445 188 R N -0.778 119.713 120.500 -0.014 0.000 2.092 188 R HA -0.005 4.335 4.340 -0.000 0.000 0.231 188 R C 1.996 178.275 176.300 -0.034 0.000 1.119 188 R CA 1.521 57.611 56.100 -0.017 0.000 0.970 188 R CB -0.413 29.883 30.300 -0.006 0.000 0.864 188 R HN 0.587 nan 8.270 nan 0.000 0.440 189 I N -0.395 120.144 120.570 -0.052 0.000 2.233 189 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 189 I C 2.687 178.738 176.117 -0.109 0.000 1.093 189 I CA 1.076 62.344 61.300 -0.052 0.000 1.380 189 I CB -0.503 37.517 38.000 0.033 0.000 1.067 189 I HN 0.280 nan 8.210 nan 0.000 0.413 190 H N 1.733 120.604 119.070 -0.332 0.000 2.352 190 H HA -0.185 4.371 4.556 -0.000 0.000 0.299 190 H C 2.143 177.380 175.328 -0.152 0.000 1.097 190 H CA 1.850 57.697 56.048 -0.335 0.000 1.311 190 H CB 0.184 29.611 29.762 -0.559 0.000 1.377 190 H HN 0.339 nan 8.280 nan 0.000 0.504 191 A N 1.151 123.980 122.820 0.015 0.000 2.076 191 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 191 A C 2.805 180.356 177.584 -0.055 0.000 1.160 191 A CA 1.036 53.079 52.037 0.010 0.000 0.653 191 A CB -0.808 18.201 19.000 0.015 0.000 0.801 191 A HN 0.458 nan 8.150 nan 0.000 0.455 192 L N 0.356 121.531 121.223 -0.082 0.000 2.191 192 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 192 L C 2.869 179.689 176.870 -0.084 0.000 1.103 192 L CA 1.489 56.281 54.840 -0.080 0.000 0.769 192 L CB -0.428 41.593 42.059 -0.064 0.000 0.908 192 L HN 0.629 nan 8.230 nan 0.000 0.438 193 S N -0.743 114.876 115.700 -0.134 0.000 2.461 193 S HA 0.035 4.504 4.470 -0.000 0.000 0.228 193 S C 1.734 176.282 174.600 -0.087 0.000 1.005 193 S CA 0.542 58.665 58.200 -0.129 0.000 0.942 193 S CB 0.077 63.138 63.200 -0.231 0.000 0.776 193 S HN 0.519 nan 8.310 nan 0.000 0.514 194 G N 1.301 110.056 108.800 -0.074 0.000 2.162 194 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.260 194 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.260 194 G C 0.225 175.128 174.900 0.005 0.000 0.976 194 G CA 0.551 45.637 45.100 -0.023 0.000 0.655 194 G HN 1.422 nan 8.290 nan 0.000 0.533 195 S N -0.652 115.040 115.700 -0.013 0.000 2.693 195 S HA 0.693 5.163 4.470 -0.000 0.000 0.276 195 S C 0.383 175.105 174.600 0.205 0.000 1.192 195 S CA 0.392 58.634 58.200 0.070 0.000 0.994 195 S CB 1.500 64.731 63.200 0.051 0.000 1.012 195 S HN 0.601 nan 8.310 nan 0.000 0.550 196 T N 3.802 118.476 114.554 0.201 0.000 2.888 196 T HA 0.279 4.628 4.350 -0.000 0.000 0.301 196 T C -2.397 172.422 174.700 0.198 0.000 1.001 196 T CA -0.333 61.868 62.100 0.168 0.000 1.147 196 T CB -0.109 68.832 68.868 0.121 0.000 0.931 196 T HN 0.512 nan 8.240 nan 0.000 0.541 197 P HA 0.147 nan 4.420 nan 0.000 0.262 197 P C -2.133 175.091 177.300 -0.127 0.000 1.182 197 P CA -0.964 62.056 63.100 -0.133 0.000 0.761 197 P CB -0.268 31.386 31.700 -0.076 0.000 0.795 198 P HA 0.243 nan 4.420 nan 0.000 0.276 198 P C -0.621 176.621 177.300 -0.097 0.000 1.252 198 P CA -0.505 62.528 63.100 -0.111 0.000 0.802 198 P CB 0.611 32.228 31.700 -0.138 0.000 1.035 199 A N 0.738 123.545 122.820 -0.022 0.000 2.406 199 A HA 0.415 4.734 4.320 -0.000 0.000 0.243 199 A C 1.646 179.240 177.584 0.017 0.000 1.082 199 A CA 0.295 52.361 52.037 0.049 0.000 0.786 199 A CB -0.514 18.620 19.000 0.224 0.000 1.029 199 A HN 0.576 nan 8.150 nan 0.000 0.495 200 A N 0.311 123.164 122.820 0.056 0.000 1.972 200 A HA -0.135 4.184 4.320 -0.000 0.000 0.219 200 A C 1.763 179.341 177.584 -0.009 0.000 1.169 200 A CA 1.912 53.929 52.037 -0.032 0.000 0.635 200 A CB -0.947 18.030 19.000 -0.038 0.000 0.810 200 A HN 1.085 nan 8.150 nan 0.000 0.446 201 H N -0.842 118.155 119.070 -0.122 0.000 2.462 201 H HA 0.029 4.584 4.556 -0.000 0.000 0.292 201 H C 1.805 177.050 175.328 -0.137 0.000 1.049 201 H CA 1.350 57.333 56.048 -0.109 0.000 1.334 201 H CB -1.447 28.282 29.762 -0.056 0.000 1.404 201 H HN 0.203 nan 8.280 nan 0.000 0.544 202 V N 1.303 120.934 119.914 -0.471 0.000 2.295 202 V HA -0.230 3.889 4.120 -0.000 0.000 0.246 202 V C 2.969 178.782 176.094 -0.468 0.000 1.049 202 V CA 1.624 63.679 62.300 -0.409 0.000 1.024 202 V CB -0.658 31.004 31.823 -0.269 0.000 0.648 202 V HN 0.295 nan 8.190 nan 0.000 0.447 203 V N -0.205 119.369 119.914 -0.566 0.000 2.307 203 V HA -0.259 3.860 4.120 -0.000 0.000 0.245 203 V C 2.391 178.118 176.094 -0.611 0.000 1.045 203 V CA 2.052 63.818 62.300 -0.890 0.000 1.024 203 V CB -0.752 30.511 31.823 -0.933 0.000 0.651 203 V HN 0.591 nan 8.190 nan 0.000 0.449 204 E N -0.045 119.935 120.200 -0.367 0.000 2.085 204 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 204 E C 2.280 178.759 176.600 -0.203 0.000 0.994 204 E CA 1.678 57.937 56.400 -0.236 0.000 0.801 204 E CB -0.136 29.490 29.700 -0.122 0.000 0.743 204 E HN 0.717 nan 8.360 nan 0.000 0.453 205 E N 0.472 120.548 120.200 -0.206 0.000 2.047 205 E HA -0.169 4.180 4.350 -0.000 0.000 0.191 205 E C 2.139 178.587 176.600 -0.252 0.000 0.987 205 E CA 1.118 57.447 56.400 -0.119 0.000 0.799 205 E CB 0.173 29.814 29.700 -0.097 0.000 0.752 205 E HN 0.044 nan 8.360 nan 0.000 0.449 206 V N 1.685 121.225 119.914 -0.624 0.000 2.287 206 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 206 V C 2.512 178.396 176.094 -0.350 0.000 1.053 206 V CA 1.641 63.464 62.300 -0.795 0.000 1.027 206 V CB -0.529 30.804 31.823 -0.816 0.000 0.646 206 V HN 0.379 nan 8.190 nan 0.000 0.447 207 L N 0.127 121.144 121.223 -0.343 0.000 2.079 207 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 207 L C 2.707 179.521 176.870 -0.092 0.000 1.081 207 L CA 1.546 56.255 54.840 -0.219 0.000 0.752 207 L CB -0.885 41.024 42.059 -0.250 0.000 0.896 207 L HN 0.399 nan 8.230 nan 0.000 0.433 208 A N -0.954 121.827 122.820 -0.064 0.000 2.070 208 A HA -0.207 4.112 4.320 -0.000 0.000 0.220 208 A C 1.698 179.214 177.584 -0.113 0.000 1.159 208 A CA 1.383 53.378 52.037 -0.070 0.000 0.656 208 A CB -0.562 18.411 19.000 -0.045 0.000 0.800 208 A HN 0.457 nan 8.150 nan 0.000 0.453 209 Y N -1.309 119.038 120.300 0.079 0.000 2.458 209 Y HA 0.286 4.836 4.550 -0.000 0.000 0.256 209 Y C 0.656 176.711 175.900 0.258 0.000 1.159 209 Y CA -0.236 58.021 58.100 0.262 0.000 1.261 209 Y CB 0.263 38.972 38.460 0.415 0.000 1.119 209 Y HN 0.126 nan 8.280 nan 0.000 0.524 210 M N 2.111 121.848 119.600 0.228 0.000 2.233 210 M HA 0.293 4.773 4.480 -0.000 0.000 0.355 210 M C -2.284 174.113 176.300 0.161 0.000 1.191 210 M CA -2.271 53.161 55.300 0.220 0.000 1.101 210 M CB 0.165 32.861 32.600 0.160 0.000 1.592 210 M HN -0.058 nan 8.290 nan 0.000 0.461 211 P HA 0.080 nan 4.420 nan 0.000 0.271 211 P C 0.522 177.894 177.300 0.119 0.000 1.233 211 P CA -0.108 63.068 63.100 0.127 0.000 0.789 211 P CB 0.850 32.680 31.700 0.217 0.000 0.951 212 E N 0.198 120.406 120.200 0.012 0.000 2.038 212 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 212 E C -0.262 176.410 176.600 0.120 0.000 1.000 212 E CA 1.148 57.566 56.400 0.031 0.000 0.803 212 E CB -0.049 29.617 29.700 -0.057 0.000 0.750 212 E HN 0.410 nan 8.360 nan 0.000 0.448 213 D N 0.539 120.988 120.400 0.082 0.000 2.411 213 D HA 0.104 4.744 4.640 -0.000 0.000 0.225 213 D C -0.733 175.670 176.300 0.173 0.000 1.156 213 D CA -0.116 53.943 54.000 0.099 0.000 0.874 213 D CB 0.233 41.083 40.800 0.083 0.000 1.034 213 D HN 0.203 nan 8.370 nan 0.000 0.502 214 Y N -0.460 119.941 120.300 0.169 0.000 2.326 214 Y HA 0.621 5.170 4.550 -0.000 0.000 0.324 214 Y C 0.243 176.251 175.900 0.181 0.000 1.291 214 Y CA -1.029 57.182 58.100 0.185 0.000 1.348 214 Y CB 0.686 39.260 38.460 0.190 0.000 1.294 214 Y HN -0.036 nan 8.280 nan 0.000 0.525 215 S N 1.041 116.890 115.700 0.249 0.000 2.651 215 S HA 0.691 5.161 4.470 -0.000 0.000 0.291 215 S C -1.213 173.543 174.600 0.260 0.000 1.141 215 S CA -0.801 57.509 58.200 0.183 0.000 1.027 215 S CB 1.764 65.019 63.200 0.091 0.000 1.043 215 S HN 0.739 nan 8.310 nan 0.000 0.530 216 V N 1.159 121.194 119.914 0.202 0.000 2.851 216 V HA 0.764 4.883 4.120 -0.000 0.000 0.307 216 V C -1.223 174.836 176.094 -0.058 0.000 1.129 216 V CA -0.639 61.638 62.300 -0.040 0.000 0.932 216 V CB 1.713 33.422 31.823 -0.191 0.000 1.024 216 V HN 1.043 nan 8.190 nan 0.000 0.426 217 A N 7.731 130.406 122.820 -0.243 0.000 2.260 217 A HA 0.818 5.138 4.320 -0.000 0.000 0.314 217 A C -0.721 176.706 177.584 -0.263 0.000 1.257 217 A CA -0.501 51.216 52.037 -0.532 0.000 0.871 217 A CB 0.379 18.840 19.000 -0.899 0.000 1.166 217 A HN 0.664 nan 8.150 nan 0.000 0.522 218 I N 2.637 123.125 120.570 -0.136 0.000 2.378 218 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 218 I C 0.165 176.292 176.117 0.016 0.000 0.992 218 I CA -0.098 61.196 61.300 -0.010 0.000 1.154 218 I CB 1.338 39.415 38.000 0.129 0.000 1.315 218 I HN 0.508 nan 8.210 nan 0.000 0.448 219 T N 7.311 121.879 114.554 0.023 0.000 2.729 219 T HA 0.402 4.752 4.350 -0.000 0.000 0.296 219 T C -0.206 174.545 174.700 0.086 0.000 0.928 219 T CA -0.201 61.925 62.100 0.043 0.000 1.045 219 T CB 0.668 69.551 68.868 0.025 0.000 0.902 219 T HN 0.241 nan 8.240 nan 0.000 0.500 220 L N 4.101 125.389 121.223 0.108 0.000 2.349 220 L HA 0.411 4.751 4.340 -0.000 0.000 0.278 220 L C -0.323 176.608 176.870 0.103 0.000 0.996 220 L CA -0.708 54.214 54.840 0.137 0.000 0.825 220 L CB 1.541 43.723 42.059 0.205 0.000 1.243 220 L HN 0.500 nan 8.230 nan 0.000 0.412 221 D N 4.386 124.839 120.400 0.088 0.000 2.371 221 D HA 0.054 4.693 4.640 -0.000 0.000 0.256 221 D C 0.765 177.100 176.300 0.059 0.000 1.193 221 D CA 0.193 54.241 54.000 0.079 0.000 0.881 221 D CB 1.038 41.888 40.800 0.084 0.000 1.143 221 D HN 0.642 nan 8.370 nan 0.000 0.473 222 L N 3.360 124.578 121.223 -0.007 0.000 2.591 222 L HA 0.019 4.359 4.340 -0.000 0.000 0.228 222 L C 1.371 178.147 176.870 -0.157 0.000 1.133 222 L CA 0.170 54.954 54.840 -0.093 0.000 0.880 222 L CB -0.118 41.830 42.059 -0.186 0.000 1.033 222 L HN 0.512 nan 8.230 nan 0.000 0.450 223 H N -1.615 117.495 119.070 0.068 0.000 2.406 223 H HA -0.004 4.551 4.556 -0.000 0.000 0.304 223 H C 2.370 177.721 175.328 0.040 0.000 1.042 223 H CA 1.112 57.191 56.048 0.053 0.000 1.360 223 H CB 0.440 30.241 29.762 0.065 0.000 1.448 223 H HN 0.234 nan 8.280 nan 0.000 0.553 224 S N -0.994 114.802 115.700 0.160 0.000 2.503 224 S HA 0.190 4.659 4.470 -0.000 0.000 0.215 224 S C 1.874 176.513 174.600 0.065 0.000 1.003 224 S CA 0.449 58.706 58.200 0.096 0.000 0.910 224 S CB 0.624 63.872 63.200 0.080 0.000 0.790 224 S HN 0.631 nan 8.310 nan 0.000 0.514 225 G N 1.195 110.037 108.800 0.070 0.000 2.184 225 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.264 225 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.264 225 G C -0.187 174.740 174.900 0.045 0.000 0.975 225 G CA 0.283 45.418 45.100 0.060 0.000 0.642 225 G HN 0.696 nan 8.290 nan 0.000 0.536 226 D N 0.059 120.485 120.400 0.044 0.000 2.443 226 D HA 0.427 5.067 4.640 -0.000 0.000 0.239 226 D C 0.692 177.016 176.300 0.041 0.000 1.136 226 D CA 0.194 54.212 54.000 0.029 0.000 0.879 226 D CB 0.266 41.084 40.800 0.030 0.000 1.195 226 D HN 0.299 nan 8.370 nan 0.000 0.443 227 I N 3.400 123.984 120.570 0.023 0.000 2.382 227 I HA 0.167 4.337 4.170 -0.000 0.000 0.286 227 I C 1.058 177.178 176.117 0.006 0.000 1.002 227 I CA -0.368 60.952 61.300 0.033 0.000 1.135 227 I CB 1.715 39.736 38.000 0.036 0.000 1.288 227 I HN 0.526 nan 8.210 nan 0.000 0.448 228 E N 6.090 126.295 120.200 0.009 0.000 2.389 228 E HA 0.149 4.499 4.350 -0.000 0.000 0.199 228 E C 0.509 177.098 176.600 -0.018 0.000 0.978 228 E CA 0.005 56.403 56.400 -0.004 0.000 0.912 228 E CB 1.119 30.820 29.700 0.002 0.000 0.907 228 E HN 0.565 nan 8.360 nan 0.000 0.494 229 R N 0.626 121.114 120.500 -0.020 0.000 2.594 229 R HA 0.379 4.718 4.340 -0.000 0.000 0.265 229 R C -1.669 174.607 176.300 -0.040 0.000 1.070 229 R CA -0.545 55.536 56.100 -0.031 0.000 0.909 229 R CB 2.252 32.538 30.300 -0.023 0.000 1.243 229 R HN 0.034 nan 8.270 nan 0.000 0.455 230 V N -0.287 119.603 119.914 -0.040 0.000 2.962 230 V HA 0.862 4.981 4.120 -0.000 0.000 0.313 230 V C -1.187 174.899 176.094 -0.013 0.000 1.099 230 V CA -0.897 61.355 62.300 -0.080 0.000 0.971 230 V CB 1.717 33.453 31.823 -0.144 0.000 1.028 230 V HN 0.889 nan 8.190 nan 0.000 0.430 231 C N 3.789 123.009 119.300 -0.133 0.000 2.782 231 C HA 0.857 5.317 4.460 -0.000 0.000 0.328 231 C C -1.214 173.742 174.990 -0.057 0.000 1.145 231 C CA -0.441 58.595 59.018 0.030 0.000 1.358 231 C CB 0.656 28.423 27.740 0.046 0.000 1.841 231 C HN 0.854 nan 8.230 nan 0.000 0.477 232 F N 5.022 125.252 119.950 0.467 0.000 2.508 232 F HA 0.755 5.282 4.527 -0.000 0.000 0.325 232 F C -0.028 176.152 175.800 0.633 0.000 1.090 232 F CA -0.307 57.973 58.000 0.467 0.000 0.945 232 F CB 1.435 40.714 39.000 0.464 0.000 1.156 232 F HN 0.725 nan 8.300 nan 0.000 0.463 233 Y N 0.056 120.741 120.300 0.641 0.000 2.625 233 Y HA 0.897 5.447 4.550 -0.000 0.000 0.338 233 Y C -1.473 174.745 175.900 0.530 0.000 1.123 233 Y CA -2.099 56.306 58.100 0.510 0.000 1.046 233 Y CB 1.228 39.893 38.460 0.342 0.000 1.299 233 Y HN 0.717 nan 8.280 nan 0.000 0.464 234 A N 2.792 125.974 122.820 0.603 0.000 2.343 234 A HA 0.756 5.076 4.320 -0.000 0.000 0.308 234 A C -1.588 176.296 177.584 0.499 0.000 1.092 234 A CA -0.838 51.531 52.037 0.552 0.000 0.751 234 A CB 0.801 20.171 19.000 0.615 0.000 1.203 234 A HN 0.778 nan 8.150 nan 0.000 0.452 235 L N 1.944 123.488 121.223 0.536 0.000 2.309 235 L HA 0.494 4.834 4.340 -0.000 0.000 0.282 235 L C 0.709 177.873 176.870 0.490 0.000 1.036 235 L CA -0.814 54.340 54.840 0.523 0.000 0.806 235 L CB 1.386 43.819 42.059 0.623 0.000 1.220 235 L HN 0.995 nan 8.230 nan 0.000 0.429 236 K N 1.826 122.408 120.400 0.303 0.000 3.244 236 K HA -0.142 4.178 4.320 -0.000 0.000 0.270 236 K C -1.028 175.663 176.600 0.152 0.000 1.016 236 K CA -0.148 56.218 56.287 0.131 0.000 0.754 236 K CB -0.650 31.784 32.500 -0.111 0.000 1.326 236 K HN 0.369 nan 8.250 nan 0.000 0.465 237 V N 2.736 122.719 119.914 0.115 0.000 2.455 237 V HA 0.226 4.346 4.120 -0.000 0.000 0.273 237 V C -1.501 174.592 176.094 -0.002 0.000 1.045 237 V CA -1.117 61.174 62.300 -0.015 0.000 0.976 237 V CB 0.882 32.678 31.823 -0.045 0.000 0.993 237 V HN 0.346 nan 8.190 nan 0.000 0.475 238 P HA 0.207 nan 4.420 nan 0.000 0.271 238 P C 0.535 177.850 177.300 0.024 0.000 1.218 238 P CA -0.383 62.736 63.100 0.033 0.000 0.780 238 P CB 0.958 32.698 31.700 0.068 0.000 0.901 239 K N 1.608 122.021 120.400 0.022 0.000 2.152 239 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 239 K C 1.296 177.916 176.600 0.034 0.000 1.048 239 K CA 1.682 57.980 56.287 0.020 0.000 0.933 239 K CB -0.317 32.188 32.500 0.009 0.000 0.721 239 K HN 0.556 nan 8.250 nan 0.000 0.447 240 N N -0.076 118.650 118.700 0.042 0.000 2.461 240 N HA -0.032 4.708 4.740 -0.000 0.000 0.188 240 N C 0.541 176.098 175.510 0.079 0.000 1.134 240 N CA 0.656 53.738 53.050 0.054 0.000 0.878 240 N CB 0.406 38.923 38.487 0.049 0.000 0.972 240 N HN 0.019 nan 8.380 nan 0.000 0.456 241 A N -0.097 122.776 122.820 0.088 0.000 2.609 241 A HA 0.367 4.687 4.320 -0.000 0.000 0.286 241 A C 0.153 177.849 177.584 0.187 0.000 1.138 241 A CA -0.573 51.547 52.037 0.139 0.000 0.960 241 A CB -0.043 19.046 19.000 0.149 0.000 1.208 241 A HN 0.190 nan 8.150 nan 0.000 0.541 242 L N 2.182 123.474 121.223 0.115 0.000 2.485 242 L HA 0.169 4.509 4.340 -0.000 0.000 0.275 242 L C -1.408 175.533 176.870 0.118 0.000 1.207 242 L CA -1.230 53.655 54.840 0.075 0.000 0.855 242 L CB 0.346 42.419 42.059 0.025 0.000 1.114 242 L HN 0.278 nan 8.230 nan 0.000 0.485 243 P HA 0.059 nan 4.420 nan 0.000 0.286 243 P C -0.758 176.578 177.300 0.060 0.000 1.293 243 P CA -0.727 62.369 63.100 -0.005 0.000 0.770 243 P CB 0.432 32.012 31.700 -0.201 0.000 1.206 244 R N 0.376 120.942 120.500 0.109 0.000 2.522 244 R HA 0.248 4.587 4.340 -0.000 0.000 0.284 244 R C -0.028 176.312 176.300 0.066 0.000 1.032 244 R CA 0.414 56.570 56.100 0.092 0.000 1.049 244 R CB -1.376 28.989 30.300 0.109 0.000 0.956 244 R HN 0.502 nan 8.270 nan 0.000 0.422 245 I N 1.216 121.807 120.570 0.034 0.000 2.769 245 I HA 0.611 4.781 4.170 -0.000 0.000 0.298 245 I C -2.327 173.798 176.117 0.013 0.000 1.128 245 I CA -3.004 58.295 61.300 -0.001 0.000 1.031 245 I CB 2.264 40.246 38.000 -0.030 0.000 1.235 245 I HN 0.460 nan 8.210 nan 0.000 0.423 246 P HA 0.111 nan 4.420 nan 0.000 0.267 246 P C 1.033 178.340 177.300 0.012 0.000 1.200 246 P CA -0.162 62.945 63.100 0.012 0.000 0.772 246 P CB 0.717 32.420 31.700 0.004 0.000 0.855 247 T N -0.116 114.448 114.554 0.016 0.000 2.803 247 T HA -0.238 4.112 4.350 -0.000 0.000 0.269 247 T C 1.738 176.447 174.700 0.016 0.000 1.052 247 T CA 1.126 63.236 62.100 0.016 0.000 1.136 247 T CB -0.352 68.525 68.868 0.014 0.000 0.864 247 T HN 0.320 nan 8.240 nan 0.000 0.467 248 R N 0.271 120.777 120.500 0.009 0.000 2.092 248 R HA 0.017 4.357 4.340 -0.000 0.000 0.231 248 R C 2.251 178.571 176.300 0.034 0.000 1.119 248 R CA 1.140 57.245 56.100 0.008 0.000 0.970 248 R CB -0.239 30.049 30.300 -0.019 0.000 0.864 248 R HN 0.361 nan 8.270 nan 0.000 0.440 249 I N 0.790 121.374 120.570 0.024 0.000 2.252 249 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 249 I C 2.481 178.665 176.117 0.112 0.000 1.102 249 I CA 1.308 62.647 61.300 0.065 0.000 1.385 249 I CB -1.458 36.543 38.000 0.002 0.000 1.064 249 I HN 0.228 nan 8.210 nan 0.000 0.414 250 A N 0.953 123.806 122.820 0.054 0.000 1.908 250 A HA -0.255 4.064 4.320 -0.000 0.000 0.218 250 A C 2.548 180.152 177.584 0.033 0.000 1.181 250 A CA 1.941 54.000 52.037 0.038 0.000 0.627 250 A CB -0.718 18.295 19.000 0.021 0.000 0.818 250 A HN 0.358 nan 8.150 nan 0.000 0.445 251 R N -1.529 118.994 120.500 0.039 0.000 2.083 251 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 251 R C 1.994 178.315 176.300 0.034 0.000 1.137 251 R CA 2.019 58.133 56.100 0.024 0.000 0.951 251 R CB -0.563 29.749 30.300 0.021 0.000 0.851 251 R HN 0.499 nan 8.270 nan 0.000 0.434 252 F N 1.279 121.186 119.950 -0.071 0.000 2.091 252 F HA -0.209 4.317 4.527 -0.000 0.000 0.299 252 F C 1.715 177.463 175.800 -0.087 0.000 1.103 252 F CA 1.692 59.638 58.000 -0.091 0.000 1.228 252 F CB -0.305 38.652 39.000 -0.072 0.000 0.984 252 F HN 0.028 nan 8.300 nan 0.000 0.477 253 L N -0.149 120.996 121.223 -0.131 0.000 2.275 253 L HA -0.124 4.215 4.340 -0.000 0.000 0.215 253 L C 2.237 178.984 176.870 -0.206 0.000 1.119 253 L CA 0.834 55.534 54.840 -0.234 0.000 0.790 253 L CB -0.599 41.436 42.059 -0.040 0.000 0.919 253 L HN 0.143 nan 8.230 nan 0.000 0.443 254 E N -0.346 119.767 120.200 -0.146 0.000 2.190 254 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 254 E C 2.125 178.631 176.600 -0.156 0.000 0.978 254 E CA 1.259 57.589 56.400 -0.118 0.000 0.839 254 E CB 0.185 29.844 29.700 -0.068 0.000 0.787 254 E HN 0.461 nan 8.360 nan 0.000 0.473 255 V N -1.853 117.936 119.914 -0.208 0.000 3.263 255 V HA 0.406 4.525 4.120 -0.000 0.000 0.248 255 V C 1.156 177.045 176.094 -0.343 0.000 1.145 255 V CA 0.300 62.466 62.300 -0.222 0.000 1.107 255 V CB -0.298 31.424 31.823 -0.169 0.000 0.797 255 V HN 0.011 nan 8.190 nan 0.000 0.467 256 A N 4.027 126.524 122.820 -0.538 0.000 2.451 256 A HA 0.586 4.905 4.320 -0.000 0.000 0.266 256 A C -2.096 175.246 177.584 -0.403 0.000 1.119 256 A CA -1.054 50.513 52.037 -0.783 0.000 0.786 256 A CB -0.539 17.733 19.000 -1.214 0.000 1.061 256 A HN 0.518 nan 8.150 nan 0.000 0.503 257 P HA 0.218 nan 4.420 nan 0.000 0.279 257 P C -0.444 177.018 177.300 0.270 0.000 1.239 257 P CA -0.109 63.011 63.100 0.033 0.000 0.789 257 P CB 1.508 33.280 31.700 0.119 0.000 0.933 258 S N 1.490 117.181 115.700 -0.014 0.000 2.502 258 S HA 0.359 4.829 4.470 -0.000 0.000 0.304 258 S C 0.265 174.706 174.600 -0.266 0.000 1.097 258 S CA -0.494 57.703 58.200 -0.005 0.000 1.045 258 S CB 0.322 63.535 63.200 0.023 0.000 1.019 258 S HN 0.404 nan 8.310 nan 0.000 0.481 259 H N 1.944 121.008 119.070 -0.010 0.000 2.755 259 H HA 0.266 4.822 4.556 -0.000 0.000 0.273 259 H C -0.447 174.837 175.328 -0.074 0.000 1.055 259 H CA -0.262 55.738 56.048 -0.080 0.000 1.191 259 H CB 0.275 29.921 29.762 -0.194 0.000 1.536 259 H HN 0.542 nan 8.280 nan 0.000 0.529 260 D N 0.683 121.098 120.400 0.025 0.000 2.423 260 D HA -0.042 4.598 4.640 -0.000 0.000 0.238 260 D C 1.655 177.954 176.300 -0.002 0.000 1.142 260 D CA 0.004 54.005 54.000 0.002 0.000 0.884 260 D CB 2.134 42.929 40.800 -0.009 0.000 1.199 260 D HN -0.136 nan 8.370 nan 0.000 0.438 261 V N 1.543 121.452 119.914 -0.008 0.000 2.332 261 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 261 V C 1.187 177.271 176.094 -0.018 0.000 1.055 261 V CA 1.566 63.861 62.300 -0.010 0.000 1.038 261 V CB -0.357 31.459 31.823 -0.012 0.000 0.651 261 V HN 0.566 nan 8.190 nan 0.000 0.450 262 E N 0.885 121.068 120.200 -0.029 0.000 2.063 262 E HA 0.214 4.564 4.350 -0.000 0.000 0.265 262 E C 0.100 176.672 176.600 -0.047 0.000 0.919 262 E CA -0.340 56.033 56.400 -0.045 0.000 0.756 262 E CB 0.576 30.236 29.700 -0.067 0.000 1.120 262 E HN 0.550 nan 8.360 nan 0.000 0.414 263 E N 3.252 123.432 120.200 -0.034 0.000 2.442 263 E HA -0.032 4.317 4.350 -0.000 0.000 0.262 263 E C -1.403 175.178 176.600 -0.033 0.000 1.004 263 E CA -0.005 56.382 56.400 -0.023 0.000 0.928 263 E CB 0.734 30.424 29.700 -0.017 0.000 0.937 263 E HN 0.483 nan 8.360 nan 0.000 0.446 264 C N 6.416 125.711 119.300 -0.008 0.000 2.478 264 C HA 0.445 4.904 4.460 -0.000 0.000 0.334 264 C C -1.260 173.761 174.990 0.052 0.000 1.106 264 C CA -0.834 58.183 59.018 -0.003 0.000 1.363 264 C CB -0.466 27.265 27.740 -0.015 0.000 1.941 264 C HN 0.729 nan 8.230 nan 0.000 0.436 265 N N 3.607 122.343 118.700 0.059 0.000 2.417 265 N HA 0.677 5.417 4.740 -0.000 0.000 0.300 265 N C -1.002 174.576 175.510 0.114 0.000 1.102 265 N CA -0.288 52.813 53.050 0.085 0.000 0.886 265 N CB 2.220 40.740 38.487 0.054 0.000 1.203 265 N HN 0.466 nan 8.380 nan 0.000 0.496 266 V N 2.345 122.335 119.914 0.127 0.000 2.588 266 V HA 0.473 4.593 4.120 -0.000 0.000 0.304 266 V C -0.395 175.737 176.094 0.063 0.000 1.042 266 V CA -0.768 61.617 62.300 0.141 0.000 0.877 266 V CB 2.087 34.001 31.823 0.151 0.000 0.996 266 V HN 0.475 nan 8.190 nan 0.000 0.425 267 I N 3.430 124.002 120.570 0.002 0.000 2.433 267 I HA 0.721 4.891 4.170 -0.000 0.000 0.292 267 I C 0.514 176.477 176.117 -0.256 0.000 1.001 267 I CA -0.165 60.991 61.300 -0.240 0.000 1.119 267 I CB 1.696 39.400 38.000 -0.494 0.000 1.289 267 I HN 0.750 nan 8.210 nan 0.000 0.438 268 G N 5.789 114.412 108.800 -0.296 0.000 2.566 268 G HA2 0.536 4.496 3.960 -0.000 0.000 0.311 268 G HA3 0.536 4.496 3.960 -0.000 0.000 0.311 268 G C -1.684 173.070 174.900 -0.243 0.000 1.322 268 G CA -0.423 44.638 45.100 -0.066 0.000 0.969 268 G HN 0.461 nan 8.290 nan 0.000 0.490 269 W N 1.996 123.356 121.300 0.100 0.000 2.329 269 W HA 0.505 5.165 4.660 -0.000 0.000 0.312 269 W C -0.019 176.312 176.519 -0.315 0.000 1.054 269 W CA -0.754 56.513 57.345 -0.131 0.000 1.245 269 W CB 2.098 31.563 29.460 0.008 0.000 1.255 269 W HN 0.457 nan 8.180 nan 0.000 0.436 270 S N 3.831 119.268 115.700 -0.438 0.000 2.437 270 S HA 0.680 5.150 4.470 -0.000 0.000 0.305 270 S C -1.133 173.062 174.600 -0.675 0.000 1.109 270 S CA -0.378 57.498 58.200 -0.541 0.000 1.099 270 S CB 0.236 62.851 63.200 -0.975 0.000 1.004 270 S HN 0.238 nan 8.310 nan 0.000 0.475 271 F N 2.954 122.864 119.950 -0.066 0.000 2.493 271 F HA 0.753 5.279 4.527 -0.000 0.000 0.329 271 F C 0.835 176.565 175.800 -0.116 0.000 1.126 271 F CA -0.398 57.595 58.000 -0.012 0.000 0.937 271 F CB 2.262 41.336 39.000 0.123 0.000 1.146 271 F HN 0.743 nan 8.300 nan 0.000 0.442 272 G N 2.144 110.989 108.800 0.075 0.000 2.646 272 G HA2 0.320 4.280 3.960 -0.000 0.000 0.291 272 G HA3 0.320 4.280 3.960 -0.000 0.000 0.291 272 G C -0.124 174.805 174.900 0.048 0.000 1.445 272 G CA -0.915 44.196 45.100 0.019 0.000 0.814 272 G HN 0.515 nan 8.290 nan 0.000 0.495 273 R N -0.094 120.424 120.500 0.029 0.000 2.120 273 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 273 R C 2.702 179.033 176.300 0.052 0.000 1.123 273 R CA 1.809 57.933 56.100 0.040 0.000 0.975 273 R CB -0.111 30.203 30.300 0.023 0.000 0.866 273 R HN 0.552 nan 8.270 nan 0.000 0.446 274 S N -0.596 115.135 115.700 0.052 0.000 2.555 274 S HA 0.109 4.579 4.470 -0.000 0.000 0.230 274 S C 0.753 175.403 174.600 0.083 0.000 0.978 274 S CA 0.315 58.550 58.200 0.059 0.000 0.934 274 S CB 0.467 63.696 63.200 0.048 0.000 0.766 274 S HN 0.478 nan 8.310 nan 0.000 0.533 275 G N 0.332 109.192 108.800 0.100 0.000 2.435 275 G HA2 0.212 4.172 3.960 -0.000 0.000 0.603 275 G HA3 0.212 4.172 3.960 -0.000 0.000 0.603 275 G C -1.887 173.092 174.900 0.131 0.000 1.496 275 G CA -0.913 44.260 45.100 0.121 0.000 0.896 275 G HN 0.146 nan 8.290 nan 0.000 0.657 276 D N -0.035 120.430 120.400 0.108 0.000 2.329 276 D HA 0.701 5.340 4.640 -0.000 0.000 0.246 276 D C 0.353 176.691 176.300 0.064 0.000 1.111 276 D CA 0.733 54.730 54.000 -0.006 0.000 0.941 276 D CB 1.087 41.911 40.800 0.039 0.000 1.169 276 D HN 0.673 nan 8.370 nan 0.000 0.441 277 Y N -2.817 117.433 120.300 -0.083 0.000 2.725 277 Y HA 0.620 5.170 4.550 -0.000 0.000 0.333 277 Y C -1.500 174.323 175.900 -0.129 0.000 1.242 277 Y CA -1.297 56.754 58.100 -0.082 0.000 1.059 277 Y CB 0.593 39.013 38.460 -0.067 0.000 1.306 277 Y HN 0.070 nan 8.280 nan 0.000 0.454 278 V N 2.273 122.257 119.914 0.116 0.000 2.513 278 V HA 0.484 4.604 4.120 -0.000 0.000 0.299 278 V C -0.504 175.605 176.094 0.026 0.000 1.035 278 V CA -1.005 61.257 62.300 -0.064 0.000 0.889 278 V CB 1.453 33.178 31.823 -0.164 0.000 0.988 278 V HN 0.816 nan 8.190 nan 0.000 0.440 279 K N 3.506 123.885 120.400 -0.036 0.000 2.221 279 K HA 0.970 5.290 4.320 -0.000 0.000 0.243 279 K C -0.781 175.755 176.600 -0.107 0.000 0.968 279 K CA -0.759 55.508 56.287 -0.034 0.000 0.846 279 K CB 2.557 35.087 32.500 0.050 0.000 1.141 279 K HN 0.732 nan 8.250 nan 0.000 0.434 280 A N 1.585 124.336 122.820 -0.115 0.000 2.549 280 A HA 0.492 4.812 4.320 -0.000 0.000 0.297 280 A C -1.577 176.059 177.584 0.087 0.000 1.061 280 A CA -0.871 51.163 52.037 -0.005 0.000 0.690 280 A CB 1.494 20.544 19.000 0.084 0.000 1.287 280 A HN 0.831 nan 8.150 nan 0.000 0.402 281 E N 0.185 120.513 120.200 0.212 0.000 2.312 281 E HA 0.699 5.049 4.350 -0.000 0.000 0.267 281 E C -0.780 176.015 176.600 0.325 0.000 0.894 281 E CA -0.890 55.683 56.400 0.287 0.000 0.773 281 E CB 2.843 32.621 29.700 0.129 0.000 1.241 281 E HN 0.581 nan 8.360 nan 0.000 0.432 282 R N 1.119 121.829 120.500 0.349 0.000 2.522 282 R HA 0.233 4.572 4.340 -0.000 0.000 0.283 282 R C -0.963 175.485 176.300 0.246 0.000 1.074 282 R CA -0.455 55.781 56.100 0.226 0.000 0.925 282 R CB 1.394 31.735 30.300 0.068 0.000 1.205 282 R HN 0.752 nan 8.270 nan 0.000 0.436 283 S N 3.143 118.934 115.700 0.153 0.000 2.554 283 S HA -0.081 4.389 4.470 -0.000 0.000 0.290 283 S C 0.067 174.788 174.600 0.201 0.000 1.309 283 S CA -0.098 58.173 58.200 0.119 0.000 1.047 283 S CB 0.649 63.887 63.200 0.064 0.000 0.828 283 S HN 0.705 nan 8.310 nan 0.000 0.509 284 Y N 2.523 122.792 120.300 -0.052 0.000 3.059 284 Y HA 0.303 4.853 4.550 -0.000 0.000 0.212 284 Y C 0.871 176.798 175.900 0.045 0.000 0.947 284 Y CA 1.070 59.151 58.100 -0.031 0.000 1.571 284 Y CB 0.065 38.303 38.460 -0.370 0.000 1.432 284 Y HN 1.024 nan 8.280 nan 0.000 0.450 285 T N -2.660 111.816 114.554 -0.129 0.000 2.864 285 T HA 0.515 4.865 4.350 -0.000 0.000 0.299 285 T C 0.547 175.214 174.700 -0.056 0.000 1.166 285 T CA -0.540 61.464 62.100 -0.160 0.000 1.007 285 T CB 1.286 70.004 68.868 -0.250 0.000 1.219 285 T HN 1.098 nan 8.240 nan 0.000 0.506 286 G N 1.295 110.067 108.800 -0.047 0.000 2.143 286 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.249 286 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.249 286 G C 0.199 175.076 174.900 -0.040 0.000 0.981 286 G CA 0.029 45.106 45.100 -0.039 0.000 0.665 286 G HN 1.497 nan 8.290 nan 0.000 0.528 287 N N -1.808 116.870 118.700 -0.036 0.000 2.729 287 N HA -0.174 4.566 4.740 -0.000 0.000 0.259 287 N C 1.148 176.626 175.510 -0.053 0.000 1.119 287 N CA 1.317 54.341 53.050 -0.043 0.000 0.679 287 N CB -1.486 36.973 38.487 -0.047 0.000 0.892 287 N HN 0.748 nan 8.380 nan 0.000 0.558 288 M N 0.426 120.009 119.600 -0.028 0.000 2.073 288 M HA -0.237 4.243 4.480 -0.000 0.000 0.258 288 M C 2.034 178.312 176.300 -0.036 0.000 1.070 288 M CA 2.655 57.948 55.300 -0.011 0.000 1.103 288 M CB -0.080 32.543 32.600 0.039 0.000 1.321 288 M HN 0.472 nan 8.290 nan 0.000 0.405 289 A N 0.138 122.933 122.820 -0.043 0.000 1.948 289 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 289 A C 1.824 179.428 177.584 0.034 0.000 1.177 289 A CA 2.152 54.156 52.037 -0.055 0.000 0.636 289 A CB -0.931 17.918 19.000 -0.253 0.000 0.815 289 A HN 0.749 nan 8.150 nan 0.000 0.449 290 E N -0.835 119.342 120.200 -0.039 0.000 2.072 290 E HA -0.143 4.206 4.350 -0.000 0.000 0.191 290 E C 1.938 178.447 176.600 -0.151 0.000 0.985 290 E CA 1.118 57.489 56.400 -0.049 0.000 0.801 290 E CB -0.234 29.430 29.700 -0.060 0.000 0.750 290 E HN 0.716 nan 8.360 nan 0.000 0.452 291 I N 0.992 121.392 120.570 -0.283 0.000 2.252 291 I HA -0.253 3.916 4.170 -0.000 0.000 0.245 291 I C 2.126 177.704 176.117 -0.897 0.000 1.102 291 I CA 0.822 61.741 61.300 -0.635 0.000 1.385 291 I CB 0.134 37.728 38.000 -0.675 0.000 1.064 291 I HN 0.092 nan 8.210 nan 0.000 0.414 292 L N 0.230 121.156 121.223 -0.495 0.000 2.046 292 L HA -0.189 4.150 4.340 -0.000 0.000 0.208 292 L C 2.765 179.584 176.870 -0.085 0.000 1.077 292 L CA 1.298 56.002 54.840 -0.228 0.000 0.747 292 L CB -0.878 41.244 42.059 0.105 0.000 0.896 292 L HN 0.272 nan 8.230 nan 0.000 0.432 293 A N 0.387 123.240 122.820 0.055 0.000 1.933 293 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 293 A C 2.376 179.951 177.584 -0.015 0.000 1.175 293 A CA 1.708 53.779 52.037 0.056 0.000 0.628 293 A CB -1.170 17.969 19.000 0.232 0.000 0.814 293 A HN 0.451 nan 8.150 nan 0.000 0.444 294 G N -2.050 106.691 108.800 -0.099 0.000 2.443 294 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 294 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 294 G C 1.005 175.923 174.900 0.029 0.000 1.131 294 G CA 0.686 45.739 45.100 -0.078 0.000 0.775 294 G HN 0.599 nan 8.290 nan 0.000 0.547 295 W N 0.893 122.070 121.300 -0.205 0.000 3.345 295 W HA 0.261 4.920 4.660 -0.000 0.000 0.282 295 W C 0.454 176.867 176.519 -0.176 0.000 1.302 295 W CA -0.783 56.367 57.345 -0.324 0.000 1.724 295 W CB -0.737 28.410 29.460 -0.521 0.000 1.104 295 W HN 0.243 nan 8.180 nan 0.000 0.694 296 N N -1.311 117.412 118.700 0.037 0.000 2.776 296 N HA -0.167 4.573 4.740 -0.000 0.000 0.250 296 N C -0.047 175.249 175.510 -0.356 0.000 1.112 296 N CA 0.976 53.964 53.050 -0.102 0.000 0.733 296 N CB -2.058 36.386 38.487 -0.072 0.000 1.097 296 N HN -0.015 nan 8.380 nan 0.000 0.558 297 C N 0.830 119.976 119.300 -0.256 0.000 2.657 297 C HA 0.398 4.858 4.460 -0.000 0.000 0.404 297 C C 0.911 175.563 174.990 -0.562 0.000 1.291 297 C CA -0.275 58.527 59.018 -0.360 0.000 2.218 297 C CB -0.539 27.117 27.740 -0.140 0.000 2.687 297 C HN 0.195 nan 8.230 nan 0.000 0.634 298 F N 1.681 121.486 119.950 -0.241 0.000 2.443 298 F HA 0.609 5.136 4.527 -0.000 0.000 0.335 298 F C 0.042 175.725 175.800 -0.196 0.000 1.104 298 F CA -0.990 56.862 58.000 -0.246 0.000 1.013 298 F CB 0.341 39.316 39.000 -0.042 0.000 1.136 298 F HN 0.338 nan 8.300 nan 0.000 0.470 299 F N 0.793 120.957 119.950 0.357 0.000 2.440 299 F HA 0.286 4.813 4.527 -0.000 0.000 0.328 299 F C 0.830 176.792 175.800 0.269 0.000 1.070 299 F CA -1.143 57.030 58.000 0.289 0.000 1.011 299 F CB 0.384 39.518 39.000 0.223 0.000 1.226 299 F HN 0.419 nan 8.300 nan 0.000 0.491 300 H N 0.826 120.151 119.070 0.425 0.000 3.094 300 H HA 0.137 4.692 4.556 -0.000 0.000 0.320 300 H C 1.167 176.618 175.328 0.206 0.000 1.000 300 H CA 1.544 57.764 56.048 0.287 0.000 1.413 300 H CB 0.366 30.299 29.762 0.285 0.000 1.405 300 H HN 0.879 nan 8.280 nan 0.000 0.586 301 G N 4.048 112.656 108.800 -0.320 0.000 2.184 301 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.264 301 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.264 301 G C 0.081 174.964 174.900 -0.028 0.000 0.975 301 G CA 0.584 45.572 45.100 -0.188 0.000 0.642 301 G HN 0.682 nan 8.290 nan 0.000 0.536 302 E N -0.416 119.805 120.200 0.035 0.000 2.259 302 E HA 0.456 4.806 4.350 -0.000 0.000 0.257 302 E C 1.361 177.934 176.600 -0.045 0.000 0.998 302 E CA -0.162 56.266 56.400 0.047 0.000 0.866 302 E CB 0.740 30.534 29.700 0.157 0.000 1.220 302 E HN 0.413 nan 8.360 nan 0.000 0.415 303 E N 0.509 120.659 120.200 -0.084 0.000 2.023 303 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 303 E C 0.921 177.331 176.600 -0.317 0.000 1.003 303 E CA 1.154 57.456 56.400 -0.163 0.000 0.809 303 E CB -0.398 29.219 29.700 -0.138 0.000 0.755 303 E HN 0.764 nan 8.360 nan 0.000 0.449 304 G N 1.338 109.757 108.800 -0.634 0.000 2.198 304 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.257 304 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.257 304 G C -0.138 174.137 174.900 -1.041 0.000 1.042 304 G CA 0.327 44.718 45.100 -1.181 0.000 0.791 304 G HN 0.412 nan 8.290 nan 0.000 0.502 305 R N 0.301 120.274 120.500 -0.878 0.000 2.338 305 R HA 0.475 4.815 4.340 -0.000 0.000 0.317 305 R C -1.280 174.694 176.300 -0.543 0.000 0.968 305 R CA -0.820 54.933 56.100 -0.579 0.000 0.849 305 R CB 0.887 30.904 30.300 -0.471 0.000 1.128 305 R HN 0.070 nan 8.270 nan 0.000 0.448 306 D N 3.085 123.373 120.400 -0.186 0.000 2.443 306 D HA 0.090 4.729 4.640 -0.000 0.000 0.221 306 D C 0.524 176.762 176.300 -0.105 0.000 1.097 306 D CA -0.208 53.819 54.000 0.046 0.000 0.865 306 D CB 0.611 41.534 40.800 0.205 0.000 1.034 306 D HN 0.657 nan 8.370 nan 0.000 0.511 307 H N 2.225 121.334 119.070 0.066 0.000 2.395 307 H HA -0.078 4.478 4.556 -0.000 0.000 0.299 307 H C 0.757 176.094 175.328 0.015 0.000 1.070 307 H CA 0.792 56.856 56.048 0.027 0.000 1.356 307 H CB 0.486 30.261 29.762 0.021 0.000 1.401 307 H HN 0.487 nan 8.280 nan 0.000 0.524 308 D N 0.916 121.383 120.400 0.113 0.000 2.117 308 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 308 D C 2.379 178.664 176.300 -0.025 0.000 0.987 308 D CA 0.434 54.453 54.000 0.030 0.000 0.829 308 D CB -0.423 40.376 40.800 -0.002 0.000 0.961 308 D HN 0.186 nan 8.370 nan 0.000 0.460 309 L N 1.065 122.263 121.223 -0.042 0.000 2.046 309 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 309 L C 2.194 179.082 176.870 0.031 0.000 1.077 309 L CA 1.649 56.442 54.840 -0.078 0.000 0.747 309 L CB -0.222 41.806 42.059 -0.053 0.000 0.896 309 L HN -0.160 nan 8.230 nan 0.000 0.432 310 R N -0.736 119.784 120.500 0.034 0.000 2.092 310 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 310 R C 2.289 178.637 176.300 0.079 0.000 1.119 310 R CA 1.128 57.264 56.100 0.059 0.000 0.970 310 R CB -0.560 29.765 30.300 0.040 0.000 0.864 310 R HN 0.535 nan 8.270 nan 0.000 0.440 311 A N 0.979 123.835 122.820 0.059 0.000 1.902 311 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 311 A C 2.093 179.697 177.584 0.033 0.000 1.181 311 A CA 1.155 53.218 52.037 0.043 0.000 0.623 311 A CB -0.470 18.547 19.000 0.029 0.000 0.818 311 A HN 0.189 nan 8.150 nan 0.000 0.443 312 L N -1.638 119.589 121.223 0.007 0.000 2.093 312 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 312 L C 2.585 179.458 176.870 0.005 0.000 1.085 312 L CA 1.105 55.933 54.840 -0.020 0.000 0.755 312 L CB -0.661 41.319 42.059 -0.133 0.000 0.904 312 L HN 0.486 nan 8.230 nan 0.000 0.435 313 H N -0.222 118.866 119.070 0.031 0.000 2.428 313 H HA -0.130 4.425 4.556 -0.000 0.000 0.296 313 H C 2.495 177.847 175.328 0.041 0.000 1.062 313 H CA 1.671 57.755 56.048 0.060 0.000 1.350 313 H CB 0.221 30.015 29.762 0.054 0.000 1.403 313 H HN 0.472 nan 8.280 nan 0.000 0.533 314 Q N 1.060 120.936 119.800 0.127 0.000 2.084 314 Q HA -0.119 4.220 4.340 -0.000 0.000 0.202 314 Q C 1.639 177.668 176.000 0.049 0.000 0.978 314 Q CA 1.466 57.315 55.803 0.078 0.000 0.844 314 Q CB -1.804 26.969 28.738 0.059 0.000 0.898 314 Q HN 0.861 nan 8.270 nan 0.000 0.426 315 H N 0.000 119.090 119.070 0.034 0.000 2.539 315 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 315 H CA 0.000 56.059 56.048 0.018 0.000 1.023 315 H CB 0.000 29.767 29.762 0.009 0.000 1.292 315 H HN 0.000 nan 8.280 nan 0.000 0.496