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 2vjl_1_A DATA FIRST_RESID 2 DATA SEQUENCE TKPLDGINVL DFTHVQAGPA CTQMMGFLGA NVIKIERRGS GDMTRGWLQD DATA SEQUENCE KPNVDSLYFT MFNCNKRSIE LDMKTPEGKE LLEQMIKKAD VMVENFGPGA DATA SEQUENCE LDRMGFTWEY IQELNPRVIL ASVKGYAEGH ANEHLKVYEN VAQCSGGAAA DATA SEQUENCE TTGFWDGPPT VSGAALGDSN SGMHLMIGIL AALEIRHKTG RGQKVAVAMQ DATA SEQUENCE DAVLNLVRIK LRDQQRLERT GILAEYPQAQ PNFAFDRDGN PLSFDNITSV DATA SEQUENCE PRGGNAGGGG QPGWMLKCKG WETDADSYVY FTIAANMWPQ ICDMIDKPEW DATA SEQUENCE KDDPAYNTFE GRVDKLMDIF SFIETKFADK DKFEVTEWAA QYGIPCGPVM DATA SEQUENCE SMKELAHDPS LQKVGTVVEV VDEIRGNHLT VGAPFKFSGF QPEITRAPLL DATA SEQUENCE GEHTDEVLKE LGLDDAKIKE LHAKQVV 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 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.617 174.700 -0.139 0.000 1.109 2 T CA 0.000 62.069 62.100 -0.052 0.000 1.349 2 T CB 0.000 68.859 68.868 -0.015 0.000 0.612 3 K N 2.109 122.373 120.400 -0.226 0.000 2.156 3 K HA 0.454 4.775 4.320 0.001 0.000 0.271 3 K C -2.227 174.052 176.600 -0.535 0.000 0.995 3 K CA -2.202 53.736 56.287 -0.582 0.000 0.890 3 K CB 1.672 33.957 32.500 -0.358 0.000 1.073 3 K HN 0.015 nan 8.250 nan 0.000 0.454 4 P HA -0.174 nan 4.420 nan 0.000 0.216 4 P C 0.350 177.491 177.300 -0.265 0.000 1.154 4 P CA 1.370 64.197 63.100 -0.455 0.000 0.865 4 P CB 0.230 31.619 31.700 -0.518 0.000 0.789 5 L N -1.665 119.410 121.223 -0.248 0.000 3.017 5 L HA 0.214 4.555 4.340 0.001 0.000 0.255 5 L C -0.015 176.792 176.870 -0.105 0.000 1.247 5 L CA -0.522 54.237 54.840 -0.136 0.000 1.038 5 L CB -0.296 41.700 42.059 -0.104 0.000 1.380 5 L HN -0.161 nan 8.230 nan 0.000 0.548 6 D N 1.625 121.953 120.400 -0.120 0.000 2.533 6 D HA 0.158 4.799 4.640 0.001 0.000 0.236 6 D C 1.328 177.596 176.300 -0.054 0.000 1.137 6 D CA 1.528 55.482 54.000 -0.077 0.000 0.867 6 D CB 1.207 41.962 40.800 -0.075 0.000 1.170 6 D HN 0.396 nan 8.370 nan 0.000 0.474 7 G N 2.229 111.006 108.800 -0.039 0.000 2.159 7 G HA2 -0.236 3.725 3.960 0.001 0.000 0.256 7 G HA3 -0.236 3.725 3.960 0.001 0.000 0.256 7 G C 0.298 175.179 174.900 -0.032 0.000 0.977 7 G CA -0.369 44.712 45.100 -0.031 0.000 0.652 7 G HN 0.474 nan 8.290 nan 0.000 0.531 8 I N 1.481 122.030 120.570 -0.036 0.000 2.312 8 I HA 0.252 4.423 4.170 0.001 0.000 0.291 8 I C 0.183 176.282 176.117 -0.030 0.000 1.031 8 I CA -1.084 60.196 61.300 -0.033 0.000 1.293 8 I CB 1.069 39.048 38.000 -0.036 0.000 1.403 8 I HN 0.138 nan 8.210 nan 0.000 0.484 9 N N 6.869 125.554 118.700 -0.026 0.000 2.419 9 N HA 0.241 4.982 4.740 0.001 0.000 0.264 9 N C -1.196 174.300 175.510 -0.023 0.000 1.031 9 N CA -0.163 52.871 53.050 -0.026 0.000 0.951 9 N CB 1.508 39.981 38.487 -0.023 0.000 1.101 9 N HN 0.239 nan 8.380 nan 0.000 0.488 10 V N 5.442 125.336 119.914 -0.032 0.000 2.350 10 V HA 0.297 4.417 4.120 0.001 0.000 0.285 10 V C 0.506 176.569 176.094 -0.051 0.000 1.014 10 V CA -0.802 61.481 62.300 -0.029 0.000 0.831 10 V CB 1.571 33.375 31.823 -0.032 0.000 1.000 10 V HN 0.546 nan 8.190 nan 0.000 0.433 11 L N 4.453 125.654 121.223 -0.036 0.000 2.342 11 L HA 0.406 4.747 4.340 0.001 0.000 0.285 11 L C -0.379 176.410 176.870 -0.135 0.000 1.095 11 L CA 0.014 54.786 54.840 -0.113 0.000 0.843 11 L CB 0.795 42.839 42.059 -0.026 0.000 1.201 11 L HN 0.679 nan 8.230 nan 0.000 0.445 12 D N 4.059 124.302 120.400 -0.261 0.000 2.460 12 D HA 0.168 4.809 4.640 0.001 0.000 0.232 12 D C 0.142 176.275 176.300 -0.278 0.000 1.079 12 D CA -0.296 53.606 54.000 -0.163 0.000 0.864 12 D CB 0.698 41.433 40.800 -0.107 0.000 1.048 12 D HN 0.274 nan 8.370 nan 0.000 0.523 13 F N 1.003 120.882 119.950 -0.118 0.000 2.765 13 F HA 0.096 4.623 4.527 0.001 0.000 0.302 13 F C 1.555 177.162 175.800 -0.323 0.000 1.111 13 F CA -0.238 57.648 58.000 -0.190 0.000 1.359 13 F CB -0.162 38.687 39.000 -0.251 0.000 1.097 13 F HN 0.190 nan 8.300 nan 0.000 0.577 14 T N -1.187 113.337 114.554 -0.049 0.000 2.899 14 T HA 0.413 4.763 4.350 0.001 0.000 0.295 14 T C -0.385 174.359 174.700 0.075 0.000 1.033 14 T CA -0.384 61.693 62.100 -0.037 0.000 1.084 14 T CB 0.855 69.711 68.868 -0.020 0.000 0.979 14 T HN 0.533 nan 8.240 nan 0.000 0.532 15 H N -0.470 118.538 119.070 -0.104 0.000 2.960 15 H HA 0.696 5.253 4.556 0.001 0.000 0.338 15 H C 0.785 176.076 175.328 -0.063 0.000 1.261 15 H CA -1.067 54.947 56.048 -0.058 0.000 1.136 15 H CB 1.182 30.937 29.762 -0.013 0.000 1.875 15 H HN 1.006 nan 8.280 nan 0.000 0.550 16 V N -2.690 117.083 119.914 -0.236 0.000 0.689 16 V HA -0.428 3.692 4.120 0.001 0.000 0.092 16 V C 0.726 176.633 176.094 -0.311 0.000 0.807 16 V CA 1.920 64.041 62.300 -0.298 0.000 3.104 16 V CB -1.894 29.789 31.823 -0.233 0.000 0.206 16 V HN 0.969 nan 8.190 nan 0.000 0.123 17 Q N -0.045 119.615 119.800 -0.234 0.000 2.606 17 Q HA 0.607 4.948 4.340 0.001 0.000 0.215 17 Q C 2.309 178.317 176.000 0.014 0.000 0.908 17 Q CA 0.798 56.454 55.803 -0.246 0.000 0.908 17 Q CB 0.110 28.760 28.738 -0.146 0.000 1.120 17 Q HN 1.101 nan 8.270 nan 0.000 0.628 18 A N 1.230 124.051 122.820 0.001 0.000 1.845 18 A HA -0.113 4.207 4.320 0.001 0.000 0.215 18 A C 2.153 179.760 177.584 0.037 0.000 1.195 18 A CA 1.958 54.018 52.037 0.038 0.000 0.616 18 A CB -1.415 17.583 19.000 -0.003 0.000 0.832 18 A HN 0.449 nan 8.150 nan 0.000 0.443 19 G N -0.139 108.658 108.800 -0.006 0.000 2.433 19 G HA2 -0.125 3.836 3.960 0.001 0.000 0.216 19 G HA3 -0.125 3.836 3.960 0.001 0.000 0.216 19 G C -0.269 174.639 174.900 0.013 0.000 1.186 19 G CA 1.287 46.383 45.100 -0.006 0.000 0.779 19 G HN 0.490 nan 8.290 nan 0.000 0.543 20 P HA -0.066 nan 4.420 nan 0.000 0.216 20 P C 2.201 179.550 177.300 0.082 0.000 1.150 20 P CA 1.968 65.096 63.100 0.046 0.000 0.837 20 P CB -0.153 31.582 31.700 0.060 0.000 0.786 21 A N -0.870 122.066 122.820 0.193 0.000 1.892 21 A HA -0.303 4.018 4.320 0.001 0.000 0.218 21 A C 2.518 180.097 177.584 -0.008 0.000 1.188 21 A CA 2.074 54.179 52.037 0.114 0.000 0.631 21 A CB -1.869 17.250 19.000 0.198 0.000 0.822 21 A HN 0.325 nan 8.150 nan 0.000 0.447 22 C N -0.284 119.026 119.300 0.018 0.000 2.442 22 C HA -0.126 4.334 4.460 0.001 0.000 0.279 22 C C 3.246 178.211 174.990 -0.043 0.000 1.237 22 C CA 2.509 61.527 59.018 -0.000 0.000 1.722 22 C CB -1.466 26.281 27.740 0.012 0.000 2.056 22 C HN 0.755 nan 8.230 nan 0.000 0.469 23 T N -1.226 113.298 114.554 -0.051 0.000 2.915 23 T HA -0.226 4.124 4.350 0.001 0.000 0.269 23 T C 1.873 176.488 174.700 -0.142 0.000 1.071 23 T CA 1.853 63.909 62.100 -0.073 0.000 1.132 23 T CB -0.694 68.140 68.868 -0.057 0.000 0.878 23 T HN 0.816 nan 8.240 nan 0.000 0.479 24 Q N -0.121 119.550 119.800 -0.215 0.000 2.079 24 Q HA -0.085 4.256 4.340 0.001 0.000 0.200 24 Q C 2.300 177.866 176.000 -0.724 0.000 0.974 24 Q CA 1.425 56.959 55.803 -0.449 0.000 0.840 24 Q CB -0.237 28.203 28.738 -0.498 0.000 0.898 24 Q HN 0.488 nan 8.270 nan 0.000 0.430 25 M N -0.061 119.261 119.600 -0.463 0.000 2.175 25 M HA -0.083 4.398 4.480 0.001 0.000 0.264 25 M C 1.806 178.097 176.300 -0.016 0.000 1.063 25 M CA 1.562 56.715 55.300 -0.245 0.000 1.119 25 M CB -0.049 32.567 32.600 0.025 0.000 1.377 25 M HN 0.266 nan 8.290 nan 0.000 0.415 26 M N -1.152 118.422 119.600 -0.044 0.000 2.117 26 M HA -0.090 4.391 4.480 0.001 0.000 0.262 26 M C 2.155 178.457 176.300 0.003 0.000 1.065 26 M CA 1.674 56.968 55.300 -0.009 0.000 1.114 26 M CB -1.195 31.386 32.600 -0.031 0.000 1.361 26 M HN 0.493 nan 8.290 nan 0.000 0.408 27 G N 0.263 109.038 108.800 -0.043 0.000 2.440 27 G HA2 -0.214 3.746 3.960 0.001 0.000 0.218 27 G HA3 -0.214 3.746 3.960 0.001 0.000 0.218 27 G C 1.151 176.172 174.900 0.203 0.000 1.154 27 G CA 0.664 45.776 45.100 0.020 0.000 0.767 27 G HN 0.285 nan 8.290 nan 0.000 0.552 28 F N 0.677 120.672 119.950 0.076 0.000 2.269 28 F HA 0.133 4.660 4.527 0.001 0.000 0.301 28 F C 2.304 178.243 175.800 0.231 0.000 1.082 28 F CA 0.072 58.151 58.000 0.130 0.000 1.360 28 F CB -0.502 38.580 39.000 0.136 0.000 1.041 28 F HN 0.070 nan 8.300 nan 0.000 0.512 29 L N -0.971 120.451 121.223 0.332 0.000 2.629 29 L HA 0.286 4.626 4.340 0.001 0.000 0.230 29 L C 1.558 178.365 176.870 -0.106 0.000 1.151 29 L CA 0.685 55.579 54.840 0.090 0.000 0.924 29 L CB -0.686 41.363 42.059 -0.017 0.000 1.137 29 L HN 0.364 nan 8.230 nan 0.000 0.457 30 G N -0.133 108.683 108.800 0.027 0.000 2.179 30 G HA2 -0.219 3.742 3.960 0.001 0.000 0.220 30 G HA3 -0.219 3.742 3.960 0.001 0.000 0.220 30 G C 0.453 175.340 174.900 -0.022 0.000 0.990 30 G CA -0.109 44.981 45.100 -0.016 0.000 0.646 30 G HN 0.463 nan 8.290 nan 0.000 0.517 31 A N 0.022 122.832 122.820 -0.018 0.000 2.483 31 A HA 0.537 4.857 4.320 0.001 0.000 0.238 31 A C 0.522 178.093 177.584 -0.022 0.000 1.070 31 A CA 0.683 52.704 52.037 -0.027 0.000 0.770 31 A CB 0.256 19.239 19.000 -0.030 0.000 1.008 31 A HN 0.947 nan 8.150 nan 0.000 0.497 32 N N 1.567 120.249 118.700 -0.031 0.000 2.469 32 N HA 0.347 5.087 4.740 0.001 0.000 0.239 32 N C -1.184 174.297 175.510 -0.048 0.000 1.053 32 N CA -0.076 52.952 53.050 -0.037 0.000 0.937 32 N CB 0.440 38.906 38.487 -0.035 0.000 1.163 32 N HN 0.244 nan 8.380 nan 0.000 0.509 33 V N 5.370 125.250 119.914 -0.057 0.000 2.347 33 V HA 0.414 4.534 4.120 0.001 0.000 0.280 33 V C 0.358 176.400 176.094 -0.087 0.000 1.021 33 V CA -0.684 61.575 62.300 -0.068 0.000 0.847 33 V CB 0.828 32.612 31.823 -0.065 0.000 0.990 33 V HN 0.502 nan 8.190 nan 0.000 0.444 34 I N 5.217 125.729 120.570 -0.097 0.000 2.328 34 I HA 0.374 4.545 4.170 0.001 0.000 0.287 34 I C 0.360 176.396 176.117 -0.134 0.000 1.012 34 I CA -0.534 60.700 61.300 -0.109 0.000 1.195 34 I CB 1.175 39.111 38.000 -0.108 0.000 1.350 34 I HN 0.359 nan 8.210 nan 0.000 0.464 35 K N 7.519 127.863 120.400 -0.093 0.000 2.292 35 K HA 0.410 4.731 4.320 0.001 0.000 0.290 35 K C -0.364 176.175 176.600 -0.102 0.000 1.083 35 K CA -0.305 55.934 56.287 -0.081 0.000 0.918 35 K CB 0.637 33.143 32.500 0.010 0.000 1.089 35 K HN 0.577 nan 8.250 nan 0.000 0.473 36 I N 4.367 124.812 120.570 -0.208 0.000 2.396 36 I HA 0.063 4.234 4.170 0.001 0.000 0.289 36 I C 0.530 176.612 176.117 -0.058 0.000 1.056 36 I CA 0.179 61.365 61.300 -0.189 0.000 1.365 36 I CB 0.595 38.353 38.000 -0.404 0.000 1.407 36 I HN 0.374 nan 8.210 nan 0.000 0.509 37 E N 6.103 126.296 120.200 -0.012 0.000 2.336 37 E HA 0.461 4.812 4.350 0.001 0.000 0.267 37 E C -0.917 175.693 176.600 0.017 0.000 0.906 37 E CA -1.131 55.281 56.400 0.020 0.000 0.781 37 E CB 2.039 31.747 29.700 0.013 0.000 1.261 37 E HN 0.516 nan 8.360 nan 0.000 0.436 38 R N 0.917 121.428 120.500 0.018 0.000 2.582 38 R HA 0.392 4.732 4.340 0.001 0.000 0.271 38 R C -0.084 176.208 176.300 -0.013 0.000 1.078 38 R CA -0.635 55.468 56.100 0.004 0.000 1.127 38 R CB 0.645 30.944 30.300 -0.001 0.000 1.038 38 R HN 0.300 nan 8.270 nan 0.000 0.500 39 R N 0.415 120.908 120.500 -0.011 0.000 2.643 39 R HA 0.142 4.482 4.340 0.001 0.000 0.270 39 R C 1.035 177.321 176.300 -0.022 0.000 1.061 39 R CA 1.122 57.214 56.100 -0.013 0.000 1.107 39 R CB 0.546 30.843 30.300 -0.005 0.000 0.999 39 R HN 0.992 nan 8.270 nan 0.000 0.460 40 G N 0.488 109.273 108.800 -0.026 0.000 2.779 40 G HA2 -0.418 3.543 3.960 0.001 0.000 0.230 40 G HA3 -0.418 3.543 3.960 0.001 0.000 0.230 40 G C 0.963 175.830 174.900 -0.054 0.000 1.243 40 G CA 0.811 45.891 45.100 -0.033 0.000 0.769 40 G HN 0.659 nan 8.290 nan 0.000 0.516 41 S N 0.070 115.733 115.700 -0.062 0.000 2.506 41 S HA 0.499 4.969 4.470 0.001 0.000 0.230 41 S C 2.177 176.700 174.600 -0.128 0.000 1.066 41 S CA 1.361 59.506 58.200 -0.091 0.000 0.940 41 S CB 0.090 63.245 63.200 -0.076 0.000 0.818 41 S HN 2.631 nan 8.310 nan 0.000 0.518 42 G N 2.172 110.913 108.800 -0.099 0.000 2.645 42 G HA2 -0.221 3.739 3.960 0.001 0.000 0.246 42 G HA3 -0.221 3.739 3.960 0.001 0.000 0.246 42 G C -0.742 174.088 174.900 -0.116 0.000 1.322 42 G CA -0.007 45.032 45.100 -0.102 0.000 0.898 42 G HN 0.561 nan 8.290 nan 0.000 0.573 43 D N 0.320 120.665 120.400 -0.092 0.000 2.493 43 D HA 0.257 4.898 4.640 0.001 0.000 0.240 43 D C 1.901 178.033 176.300 -0.280 0.000 1.142 43 D CA 0.226 54.181 54.000 -0.074 0.000 0.872 43 D CB 0.669 41.537 40.800 0.112 0.000 1.173 43 D HN 0.329 nan 8.370 nan 0.000 0.467 44 M N 1.858 121.199 119.600 -0.430 0.000 2.279 44 M HA -0.123 4.358 4.480 0.001 0.000 0.264 44 M C 2.156 177.658 176.300 -1.329 0.000 1.062 44 M CA 1.242 55.986 55.300 -0.926 0.000 1.099 44 M CB -0.889 31.008 32.600 -1.171 0.000 1.394 44 M HN 0.501 nan 8.290 nan 0.000 0.426 45 T N -1.767 112.247 114.554 -0.899 0.000 2.929 45 T HA -0.100 4.251 4.350 0.001 0.000 0.271 45 T C 1.901 176.449 174.700 -0.253 0.000 1.085 45 T CA 0.966 62.673 62.100 -0.655 0.000 1.125 45 T CB -0.385 68.134 68.868 -0.582 0.000 0.874 45 T HN 0.407 nan 8.240 nan 0.000 0.494 46 R N 1.031 121.356 120.500 -0.291 0.000 2.105 46 R HA 0.005 4.346 4.340 0.001 0.000 0.239 46 R C 2.544 178.739 176.300 -0.175 0.000 1.135 46 R CA 1.456 57.373 56.100 -0.305 0.000 0.967 46 R CB -0.509 29.480 30.300 -0.519 0.000 0.861 46 R HN 0.561 nan 8.270 nan 0.000 0.442 47 G N -1.232 107.431 108.800 -0.228 0.000 3.393 47 G HA2 0.019 3.980 3.960 0.001 0.000 0.255 47 G HA3 0.019 3.980 3.960 0.001 0.000 0.255 47 G C -0.622 174.345 174.900 0.113 0.000 1.097 47 G CA -0.531 44.520 45.100 -0.081 0.000 0.780 47 G HN 0.052 nan 8.290 nan 0.000 0.540 48 W N 0.494 121.814 121.300 0.033 0.000 2.361 48 W HA 0.590 5.251 4.660 0.001 0.000 0.309 48 W C 0.590 177.221 176.519 0.187 0.000 1.122 48 W CA -1.499 55.907 57.345 0.100 0.000 1.208 48 W CB 0.288 29.811 29.460 0.106 0.000 1.246 48 W HN -0.046 nan 8.180 nan 0.000 0.490 49 L N 1.859 123.292 121.223 0.350 0.000 3.717 49 L HA -0.294 4.047 4.340 0.001 0.000 0.411 49 L C 0.567 177.548 176.870 0.186 0.000 1.233 49 L CA 0.326 55.302 54.840 0.227 0.000 0.917 49 L CB -1.777 40.414 42.059 0.220 0.000 1.902 49 L HN 0.499 nan 8.230 nan 0.000 0.894 50 Q N 1.176 121.074 119.800 0.162 0.000 2.364 50 Q HA 0.040 4.381 4.340 0.001 0.000 0.267 50 Q C 1.317 177.370 176.000 0.088 0.000 0.999 50 Q CA 0.526 56.399 55.803 0.117 0.000 0.886 50 Q CB 0.683 29.475 28.738 0.090 0.000 1.243 50 Q HN 0.374 nan 8.270 nan 0.000 0.415 51 D N 1.099 121.545 120.400 0.076 0.000 2.354 51 D HA 0.022 4.662 4.640 0.001 0.000 0.209 51 D C -0.106 176.225 176.300 0.052 0.000 1.015 51 D CA 0.349 54.385 54.000 0.061 0.000 0.867 51 D CB 0.516 41.352 40.800 0.060 0.000 0.933 51 D HN 0.100 nan 8.370 nan 0.000 0.520 52 K N 1.352 121.782 120.400 0.051 0.000 2.535 52 K HA 0.350 4.670 4.320 0.001 0.000 0.250 52 K C -2.836 173.786 176.600 0.037 0.000 0.948 52 K CA -1.973 54.338 56.287 0.041 0.000 0.796 52 K CB 2.687 35.211 32.500 0.040 0.000 1.216 52 K HN -0.242 nan 8.250 nan 0.000 0.432 53 P HA 0.064 nan 4.420 nan 0.000 0.268 53 P C -0.534 176.777 177.300 0.017 0.000 1.205 53 P CA 0.272 63.387 63.100 0.025 0.000 0.771 53 P CB 0.564 32.277 31.700 0.022 0.000 0.858 54 N N 0.019 118.725 118.700 0.010 0.000 2.753 54 N HA -0.141 4.600 4.740 0.001 0.000 0.251 54 N C -1.048 174.457 175.510 -0.007 0.000 1.097 54 N CA 0.890 53.937 53.050 -0.004 0.000 0.786 54 N CB -1.232 37.253 38.487 -0.003 0.000 1.137 54 N HN 0.174 nan 8.380 nan 0.000 0.566 55 V N 0.499 120.415 119.914 0.003 0.000 2.555 55 V HA 0.303 4.424 4.120 0.001 0.000 0.302 55 V C -0.011 176.085 176.094 0.004 0.000 1.038 55 V CA -1.105 61.199 62.300 0.007 0.000 0.887 55 V CB 1.811 33.650 31.823 0.027 0.000 0.991 55 V HN 0.079 nan 8.190 nan 0.000 0.434 56 D N 3.018 123.409 120.400 -0.015 0.000 2.531 56 D HA 0.071 4.712 4.640 0.001 0.000 0.239 56 D C 0.716 177.060 176.300 0.073 0.000 1.144 56 D CA 0.392 54.379 54.000 -0.023 0.000 0.869 56 D CB 0.930 41.697 40.800 -0.054 0.000 1.160 56 D HN 0.739 nan 8.370 nan 0.000 0.484 57 S N 1.831 117.595 115.700 0.107 0.000 2.589 57 S HA 0.076 4.547 4.470 0.001 0.000 0.265 57 S C 1.656 176.366 174.600 0.184 0.000 1.342 57 S CA -0.711 57.584 58.200 0.158 0.000 1.005 57 S CB 0.771 64.105 63.200 0.223 0.000 0.909 57 S HN 0.452 nan 8.310 nan 0.000 0.555 58 L N 0.435 121.740 121.223 0.136 0.000 2.191 58 L HA -0.097 4.244 4.340 0.001 0.000 0.212 58 L C 2.279 179.289 176.870 0.233 0.000 1.103 58 L CA 1.420 56.310 54.840 0.084 0.000 0.769 58 L CB -0.659 41.435 42.059 0.058 0.000 0.908 58 L HN 0.831 nan 8.230 nan 0.000 0.438 59 Y N -0.334 120.065 120.300 0.165 0.000 2.114 59 Y HA -0.421 4.130 4.550 0.001 0.000 0.282 59 Y C 2.572 178.616 175.900 0.241 0.000 1.165 59 Y CA 1.811 60.037 58.100 0.210 0.000 1.148 59 Y CB -0.116 38.456 38.460 0.188 0.000 0.972 59 Y HN 0.163 nan 8.280 nan 0.000 0.504 60 F N 0.718 120.808 119.950 0.233 0.000 2.128 60 F HA -0.195 4.332 4.527 0.001 0.000 0.295 60 F C 2.692 178.589 175.800 0.162 0.000 1.100 60 F CA 1.972 60.037 58.000 0.110 0.000 1.260 60 F CB -0.706 38.295 39.000 0.001 0.000 1.009 60 F HN 0.055 nan 8.300 nan 0.000 0.476 61 T N -1.549 113.069 114.554 0.107 0.000 2.904 61 T HA -0.158 4.193 4.350 0.001 0.000 0.267 61 T C 1.819 176.499 174.700 -0.033 0.000 1.059 61 T CA 1.400 63.468 62.100 -0.055 0.000 1.137 61 T CB -0.554 68.220 68.868 -0.156 0.000 0.879 61 T HN 0.382 nan 8.240 nan 0.000 0.467 62 M N -0.455 119.176 119.600 0.052 0.000 2.619 62 M HA 0.286 4.767 4.480 0.001 0.000 0.251 62 M C 0.584 176.835 176.300 -0.082 0.000 1.106 62 M CA 0.867 56.217 55.300 0.083 0.000 1.086 62 M CB -0.076 32.576 32.600 0.086 0.000 1.465 62 M HN 0.224 nan 8.290 nan 0.000 0.506 63 F N -0.715 119.190 119.950 -0.075 0.000 2.706 63 F HA 0.224 4.752 4.527 0.001 0.000 0.313 63 F C 0.976 176.622 175.800 -0.256 0.000 1.096 63 F CA 0.007 57.934 58.000 -0.122 0.000 1.219 63 F CB 0.430 39.393 39.000 -0.063 0.000 1.051 63 F HN 0.099 nan 8.300 nan 0.000 0.568 64 N N -0.872 117.696 118.700 -0.220 0.000 2.387 64 N HA 0.135 4.875 4.740 0.001 0.000 0.259 64 N C -0.641 174.773 175.510 -0.161 0.000 1.369 64 N CA 0.095 52.940 53.050 -0.341 0.000 0.867 64 N CB 0.504 38.443 38.487 -0.913 0.000 1.341 64 N HN 0.005 nan 8.380 nan 0.000 0.495 65 C N 1.296 120.587 119.300 -0.016 0.000 2.700 65 C HA 0.104 4.565 4.460 0.001 0.000 0.397 65 C C 1.255 176.316 174.990 0.119 0.000 1.301 65 C CA 0.079 59.177 59.018 0.135 0.000 2.219 65 C CB -0.483 27.448 27.740 0.319 0.000 2.699 65 C HN 0.568 nan 8.230 nan 0.000 0.669 66 N N 0.426 119.216 118.700 0.151 0.000 2.740 66 N HA -0.175 4.566 4.740 0.001 0.000 0.248 66 N C -0.944 174.576 175.510 0.017 0.000 1.062 66 N CA 1.195 54.313 53.050 0.112 0.000 0.704 66 N CB -1.023 37.598 38.487 0.224 0.000 0.968 66 N HN 0.729 nan 8.380 nan 0.000 0.547 67 K N -0.071 120.323 120.400 -0.009 0.000 2.443 67 K HA 0.565 4.886 4.320 0.001 0.000 0.251 67 K C -0.158 176.378 176.600 -0.106 0.000 0.972 67 K CA -0.811 55.445 56.287 -0.053 0.000 0.833 67 K CB 2.462 34.938 32.500 -0.040 0.000 1.317 67 K HN -0.011 nan 8.250 nan 0.000 0.441 68 R N 0.326 120.716 120.500 -0.183 0.000 2.664 68 R HA 0.384 4.725 4.340 0.001 0.000 0.286 68 R C -0.783 175.507 176.300 -0.016 0.000 0.967 68 R CA -0.734 55.157 56.100 -0.348 0.000 0.933 68 R CB 2.105 32.048 30.300 -0.593 0.000 1.146 68 R HN 0.493 nan 8.270 nan 0.000 0.468 69 S N 3.058 118.902 115.700 0.239 0.000 2.478 69 S HA 0.555 5.026 4.470 0.001 0.000 0.312 69 S C -0.345 174.342 174.600 0.144 0.000 1.094 69 S CA -0.843 57.463 58.200 0.176 0.000 1.081 69 S CB 0.458 63.777 63.200 0.198 0.000 1.007 69 S HN 0.531 nan 8.310 nan 0.000 0.475 70 I N 1.275 121.877 120.570 0.053 0.000 2.530 70 I HA 0.684 4.855 4.170 0.001 0.000 0.297 70 I C -0.420 175.698 176.117 0.000 0.000 1.011 70 I CA -0.834 60.481 61.300 0.024 0.000 1.107 70 I CB 1.825 39.821 38.000 -0.007 0.000 1.285 70 I HN 0.445 nan 8.210 nan 0.000 0.436 71 E N 4.402 124.601 120.200 -0.002 0.000 2.266 71 E HA 0.628 4.978 4.350 0.001 0.000 0.277 71 E C -1.360 175.226 176.600 -0.023 0.000 1.018 71 E CA -0.734 55.660 56.400 -0.010 0.000 0.840 71 E CB 2.209 31.907 29.700 -0.004 0.000 1.082 71 E HN 0.491 nan 8.360 nan 0.000 0.395 72 L N 3.157 124.372 121.223 -0.014 0.000 2.710 72 L HA 0.190 4.530 4.340 0.001 0.000 0.262 72 L C -1.648 175.228 176.870 0.010 0.000 0.940 72 L CA -0.439 54.396 54.840 -0.010 0.000 0.944 72 L CB 1.864 43.916 42.059 -0.013 0.000 1.348 72 L HN 0.414 nan 8.230 nan 0.000 0.425 73 D N 5.316 125.719 120.400 0.006 0.000 2.352 73 D HA 0.214 4.855 4.640 0.001 0.000 0.245 73 D C 0.788 177.107 176.300 0.032 0.000 1.224 73 D CA -0.044 53.964 54.000 0.013 0.000 0.879 73 D CB 0.976 41.780 40.800 0.006 0.000 1.057 73 D HN 0.689 nan 8.370 nan 0.000 0.491 74 M N 2.419 122.046 119.600 0.046 0.000 2.541 74 M HA 0.029 4.510 4.480 0.001 0.000 0.252 74 M C 0.925 177.273 176.300 0.080 0.000 1.125 74 M CA 0.416 55.764 55.300 0.080 0.000 1.091 74 M CB 0.400 33.065 32.600 0.108 0.000 1.420 74 M HN 0.023 nan 8.290 nan 0.000 0.486 75 K N 1.934 122.357 120.400 0.039 0.000 3.173 75 K HA 0.113 4.434 4.320 0.001 0.000 0.255 75 K C -0.223 176.394 176.600 0.027 0.000 1.235 75 K CA -0.029 56.275 56.287 0.028 0.000 1.250 75 K CB -0.213 32.286 32.500 -0.001 0.000 1.382 75 K HN 0.190 nan 8.250 nan 0.000 0.421 76 T N -3.680 110.900 114.554 0.044 0.000 2.933 76 T HA 0.256 4.607 4.350 0.001 0.000 0.305 76 T C -2.514 172.216 174.700 0.050 0.000 1.092 76 T CA -2.073 60.048 62.100 0.035 0.000 1.008 76 T CB 2.067 70.950 68.868 0.026 0.000 1.102 76 T HN -0.229 nan 8.240 nan 0.000 0.469 77 P HA -0.201 nan 4.420 nan 0.000 0.216 77 P C 1.588 178.921 177.300 0.056 0.000 1.154 77 P CA 1.378 64.502 63.100 0.041 0.000 0.865 77 P CB 0.162 31.875 31.700 0.022 0.000 0.789 78 E N -0.863 119.363 120.200 0.043 0.000 2.208 78 E HA -0.044 4.306 4.350 0.001 0.000 0.193 78 E C 2.231 178.862 176.600 0.051 0.000 0.988 78 E CA 1.523 57.947 56.400 0.041 0.000 0.828 78 E CB -1.501 28.212 29.700 0.022 0.000 0.763 78 E HN 0.237 nan 8.360 nan 0.000 0.478 79 G N 1.723 110.557 108.800 0.057 0.000 2.422 79 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 79 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 79 G C 1.651 176.624 174.900 0.122 0.000 1.140 79 G CA 0.547 45.687 45.100 0.067 0.000 0.775 79 G HN 0.209 nan 8.290 nan 0.000 0.545 80 K N 0.025 120.531 120.400 0.176 0.000 2.062 80 K HA 0.024 4.345 4.320 0.001 0.000 0.205 80 K C 2.246 179.041 176.600 0.324 0.000 1.051 80 K CA 0.860 57.346 56.287 0.331 0.000 0.941 80 K CB -0.081 32.600 32.500 0.301 0.000 0.719 80 K HN 0.265 nan 8.250 nan 0.000 0.440 81 E N 0.756 121.070 120.200 0.190 0.000 2.274 81 E HA -0.149 4.202 4.350 0.001 0.000 0.194 81 E C 1.804 178.476 176.600 0.120 0.000 0.996 81 E CA 0.435 56.927 56.400 0.154 0.000 0.840 81 E CB 0.209 29.967 29.700 0.096 0.000 0.772 81 E HN 0.074 nan 8.360 nan 0.000 0.491 82 L N 0.693 121.974 121.223 0.096 0.000 2.072 82 L HA -0.099 4.242 4.340 0.001 0.000 0.205 82 L C 2.171 179.071 176.870 0.051 0.000 1.079 82 L CA 1.178 56.051 54.840 0.055 0.000 0.752 82 L CB -0.359 41.716 42.059 0.028 0.000 0.906 82 L HN 0.168 nan 8.230 nan 0.000 0.436 83 L N -0.890 120.373 121.223 0.066 0.000 2.012 83 L HA -0.254 4.087 4.340 0.001 0.000 0.210 83 L C 2.468 179.371 176.870 0.054 0.000 1.073 83 L CA 1.505 56.350 54.840 0.009 0.000 0.748 83 L CB -0.555 41.408 42.059 -0.159 0.000 0.891 83 L HN 0.333 nan 8.230 nan 0.000 0.431 84 E N -0.328 119.976 120.200 0.173 0.000 2.097 84 E HA -0.292 4.059 4.350 0.001 0.000 0.196 84 E C 2.230 178.880 176.600 0.083 0.000 1.000 84 E CA 1.352 57.862 56.400 0.183 0.000 0.804 84 E CB -0.102 29.734 29.700 0.226 0.000 0.740 84 E HN 0.580 nan 8.360 nan 0.000 0.454 85 Q N -0.121 119.718 119.800 0.065 0.000 2.079 85 Q HA -0.113 4.227 4.340 0.001 0.000 0.200 85 Q C 2.208 178.220 176.000 0.019 0.000 0.974 85 Q CA 1.197 57.021 55.803 0.035 0.000 0.840 85 Q CB -0.061 28.694 28.738 0.029 0.000 0.898 85 Q HN 0.354 nan 8.270 nan 0.000 0.430 86 M N 0.043 119.651 119.600 0.014 0.000 2.132 86 M HA -0.134 4.347 4.480 0.001 0.000 0.263 86 M C 2.147 178.451 176.300 0.007 0.000 1.065 86 M CA 1.309 56.606 55.300 -0.004 0.000 1.122 86 M CB -0.226 32.355 32.600 -0.031 0.000 1.365 86 M HN 0.208 nan 8.290 nan 0.000 0.411 87 I N 0.245 120.830 120.570 0.026 0.000 2.264 87 I HA -0.308 3.863 4.170 0.001 0.000 0.248 87 I C 2.183 178.313 176.117 0.022 0.000 1.111 87 I CA 1.416 62.740 61.300 0.040 0.000 1.382 87 I CB -0.396 37.636 38.000 0.054 0.000 1.060 87 I HN 0.278 nan 8.210 nan 0.000 0.418 88 K N 0.486 120.893 120.400 0.011 0.000 2.283 88 K HA -0.101 4.220 4.320 0.001 0.000 0.202 88 K C 1.818 178.417 176.600 -0.002 0.000 1.048 88 K CA 0.768 57.054 56.287 -0.001 0.000 0.948 88 K CB 0.090 32.588 32.500 -0.003 0.000 0.742 88 K HN 0.201 nan 8.250 nan 0.000 0.458 89 K N 0.093 120.493 120.400 -0.000 0.000 2.361 89 K HA 0.126 4.447 4.320 0.001 0.000 0.196 89 K C 0.602 177.198 176.600 -0.005 0.000 1.039 89 K CA 0.106 56.390 56.287 -0.005 0.000 1.001 89 K CB 0.535 33.031 32.500 -0.008 0.000 0.795 89 K HN 0.024 nan 8.250 nan 0.000 0.495 90 A N 1.653 124.475 122.820 0.003 0.000 2.340 90 A HA 0.155 4.476 4.320 0.001 0.000 0.268 90 A C 0.418 178.009 177.584 0.011 0.000 1.100 90 A CA -0.333 51.708 52.037 0.008 0.000 0.803 90 A CB 0.513 19.530 19.000 0.028 0.000 1.043 90 A HN 0.039 nan 8.150 nan 0.000 0.488 91 D N 0.045 120.448 120.400 0.005 0.000 2.262 91 D HA 0.143 4.784 4.640 0.001 0.000 0.212 91 D C -0.084 176.229 176.300 0.022 0.000 0.964 91 D CA 1.314 55.315 54.000 0.003 0.000 0.875 91 D CB 0.527 41.318 40.800 -0.016 0.000 0.996 91 D HN 0.262 nan 8.370 nan 0.000 0.497 92 V N 1.304 121.233 119.914 0.026 0.000 2.841 92 V HA 0.379 4.500 4.120 0.001 0.000 0.310 92 V C -0.555 175.578 176.094 0.065 0.000 1.090 92 V CA -0.633 61.691 62.300 0.040 0.000 0.930 92 V CB 2.447 34.280 31.823 0.016 0.000 1.014 92 V HN -0.082 nan 8.190 nan 0.000 0.425 93 M N 4.012 123.670 119.600 0.097 0.000 2.181 93 M HA 0.664 5.145 4.480 0.001 0.000 0.323 93 M C -1.159 175.214 176.300 0.121 0.000 1.004 93 M CA -0.614 54.785 55.300 0.165 0.000 0.941 93 M CB 2.062 34.786 32.600 0.206 0.000 1.579 93 M HN 0.417 nan 8.290 nan 0.000 0.427 94 V N 2.624 122.629 119.914 0.152 0.000 2.555 94 V HA 0.679 4.799 4.120 0.001 0.000 0.302 94 V C -0.723 175.430 176.094 0.098 0.000 1.038 94 V CA -0.593 61.753 62.300 0.076 0.000 0.887 94 V CB 1.859 33.701 31.823 0.032 0.000 0.991 94 V HN 0.900 nan 8.190 nan 0.000 0.434 95 E N 2.765 122.953 120.200 -0.021 0.000 2.343 95 E HA 0.520 4.871 4.350 0.001 0.000 0.278 95 E C -0.932 175.583 176.600 -0.142 0.000 0.910 95 E CA -0.873 55.438 56.400 -0.149 0.000 0.757 95 E CB 1.648 31.199 29.700 -0.249 0.000 1.218 95 E HN 0.537 nan 8.360 nan 0.000 0.435 96 N N 3.099 121.684 118.700 -0.192 0.000 2.679 96 N HA 0.207 4.948 4.740 0.001 0.000 0.302 96 N C -1.310 174.247 175.510 0.078 0.000 1.941 96 N CA -0.507 52.514 53.050 -0.049 0.000 0.875 96 N CB -0.420 38.047 38.487 -0.033 0.000 1.278 96 N HN 0.394 nan 8.380 nan 0.000 0.490 97 F N 0.435 120.466 119.950 0.135 0.000 2.299 97 F HA 0.505 5.033 4.527 0.001 0.000 0.293 97 F C 1.993 177.843 175.800 0.084 0.000 1.252 97 F CA -0.642 57.420 58.000 0.103 0.000 1.160 97 F CB 0.440 39.440 39.000 0.000 0.000 1.405 97 F HN 0.120 nan 8.300 nan 0.000 0.517 98 G N 0.425 109.404 108.800 0.298 0.000 2.614 98 G HA2 0.173 4.134 3.960 0.001 0.000 0.239 98 G HA3 0.173 4.134 3.960 0.001 0.000 0.239 98 G C -2.051 172.936 174.900 0.145 0.000 1.240 98 G CA -0.893 44.304 45.100 0.162 0.000 0.842 98 G HN 0.325 nan 8.290 nan 0.000 0.584 99 P HA -0.174 nan 4.420 nan 0.000 0.218 99 P C 1.871 179.242 177.300 0.118 0.000 1.165 99 P CA 2.266 65.434 63.100 0.114 0.000 0.922 99 P CB 0.070 31.856 31.700 0.144 0.000 0.794 100 G N -1.801 107.068 108.800 0.114 0.000 2.985 100 G HA2 0.125 4.086 3.960 0.001 0.000 0.209 100 G HA3 0.125 4.086 3.960 0.001 0.000 0.209 100 G C 1.459 176.393 174.900 0.057 0.000 1.165 100 G CA 0.568 45.720 45.100 0.088 0.000 0.776 100 G HN 0.323 nan 8.290 nan 0.000 0.541 101 A N 0.834 123.687 122.820 0.054 0.000 1.883 101 A HA -0.037 4.284 4.320 0.001 0.000 0.217 101 A C 2.227 179.804 177.584 -0.012 0.000 1.186 101 A CA 1.540 53.564 52.037 -0.021 0.000 0.624 101 A CB -0.379 18.576 19.000 -0.075 0.000 0.822 101 A HN 0.402 nan 8.150 nan 0.000 0.444 102 L N -0.245 121.025 121.223 0.078 0.000 2.156 102 L HA -0.075 4.266 4.340 0.001 0.000 0.208 102 L C 1.519 178.458 176.870 0.116 0.000 1.095 102 L CA 2.187 57.078 54.840 0.086 0.000 0.770 102 L CB -0.556 41.549 42.059 0.076 0.000 0.914 102 L HN 0.330 nan 8.230 nan 0.000 0.439 103 D N -0.521 119.939 120.400 0.100 0.000 2.117 103 D HA -0.130 4.511 4.640 0.001 0.000 0.198 103 D C 2.130 178.464 176.300 0.057 0.000 0.982 103 D CA 1.117 55.174 54.000 0.096 0.000 0.828 103 D CB -0.139 40.712 40.800 0.084 0.000 0.967 103 D HN 0.255 nan 8.370 nan 0.000 0.464 104 R N -0.265 120.256 120.500 0.035 0.000 2.316 104 R HA 0.142 4.482 4.340 0.001 0.000 0.202 104 R C 1.530 177.835 176.300 0.008 0.000 1.029 104 R CA 0.277 56.381 56.100 0.007 0.000 1.018 104 R CB -0.016 30.280 30.300 -0.008 0.000 0.888 104 R HN 0.249 nan 8.270 nan 0.000 0.471 105 M N -0.833 118.800 119.600 0.055 0.000 2.495 105 M HA 0.131 4.612 4.480 0.001 0.000 0.237 105 M C 0.820 177.170 176.300 0.082 0.000 1.131 105 M CA 0.475 55.844 55.300 0.115 0.000 1.032 105 M CB 0.919 33.649 32.600 0.216 0.000 1.513 105 M HN 0.375 nan 8.290 nan 0.000 0.488 106 G N 0.809 109.589 108.800 -0.033 0.000 2.143 106 G HA2 -0.266 3.695 3.960 0.001 0.000 0.249 106 G HA3 -0.266 3.695 3.960 0.001 0.000 0.249 106 G C -0.116 174.559 174.900 -0.374 0.000 0.981 106 G CA -0.368 44.577 45.100 -0.258 0.000 0.665 106 G HN 0.458 nan 8.290 nan 0.000 0.528 107 F N 2.648 122.655 119.950 0.096 0.000 2.434 107 F HA 0.407 4.934 4.527 0.001 0.000 0.316 107 F C 1.338 177.234 175.800 0.160 0.000 1.222 107 F CA -0.083 58.035 58.000 0.196 0.000 1.207 107 F CB 0.429 39.506 39.000 0.129 0.000 1.466 107 F HN 0.211 nan 8.300 nan 0.000 0.545 108 T N -3.114 111.593 114.554 0.256 0.000 2.813 108 T HA -0.102 4.248 4.350 0.001 0.000 0.297 108 T C 1.274 176.154 174.700 0.299 0.000 1.036 108 T CA -0.645 61.595 62.100 0.234 0.000 1.044 108 T CB 0.951 69.909 68.868 0.151 0.000 0.993 108 T HN 0.656 nan 8.240 nan 0.000 0.535 109 W N 1.373 122.730 121.300 0.094 0.000 2.350 109 W HA -0.202 4.459 4.660 0.001 0.000 0.289 109 W C 1.333 177.895 176.519 0.072 0.000 1.215 109 W CA 1.508 58.896 57.345 0.072 0.000 1.236 109 W CB -0.058 29.431 29.460 0.049 0.000 1.130 109 W HN 0.838 nan 8.180 nan 0.000 0.541 110 E N -0.292 119.882 120.200 -0.044 0.000 2.072 110 E HA -0.262 4.089 4.350 0.001 0.000 0.191 110 E C 1.779 178.316 176.600 -0.104 0.000 0.985 110 E CA 1.849 58.151 56.400 -0.163 0.000 0.801 110 E CB -1.113 28.575 29.700 -0.020 0.000 0.750 110 E HN 0.346 nan 8.360 nan 0.000 0.452 111 Y N 0.610 120.845 120.300 -0.109 0.000 2.263 111 Y HA -0.041 4.510 4.550 0.001 0.000 0.292 111 Y C 1.771 177.635 175.900 -0.060 0.000 1.130 111 Y CA 0.938 58.984 58.100 -0.088 0.000 1.179 111 Y CB -0.136 38.270 38.460 -0.090 0.000 0.998 111 Y HN -0.022 nan 8.280 nan 0.000 0.532 112 I N 0.055 120.572 120.570 -0.088 0.000 2.226 112 I HA -0.376 3.795 4.170 0.001 0.000 0.245 112 I C 2.354 178.305 176.117 -0.276 0.000 1.100 112 I CA 1.622 62.855 61.300 -0.112 0.000 1.374 112 I CB -0.468 37.611 38.000 0.131 0.000 1.057 112 I HN 0.276 nan 8.210 nan 0.000 0.413 113 Q N 0.169 119.678 119.800 -0.486 0.000 2.135 113 Q HA -0.278 4.062 4.340 0.001 0.000 0.204 113 Q C 2.150 177.966 176.000 -0.307 0.000 0.981 113 Q CA 1.657 57.148 55.803 -0.521 0.000 0.856 113 Q CB -0.143 28.159 28.738 -0.726 0.000 0.902 113 Q HN 0.519 nan 8.270 nan 0.000 0.425 114 E N 0.498 120.530 120.200 -0.280 0.000 2.072 114 E HA -0.170 4.180 4.350 0.001 0.000 0.191 114 E C 1.968 178.434 176.600 -0.224 0.000 0.985 114 E CA 0.562 56.836 56.400 -0.212 0.000 0.801 114 E CB 0.055 29.660 29.700 -0.158 0.000 0.750 114 E HN 0.291 nan 8.360 nan 0.000 0.452 115 L N 0.369 121.398 121.223 -0.323 0.000 2.017 115 L HA -0.131 4.209 4.340 0.001 0.000 0.208 115 L C 1.138 177.930 176.870 -0.131 0.000 1.073 115 L CA 0.828 55.526 54.840 -0.238 0.000 0.745 115 L CB -0.039 41.864 42.059 -0.260 0.000 0.894 115 L HN 0.080 nan 8.230 nan 0.000 0.432 116 N N -1.658 116.967 118.700 -0.125 0.000 2.621 116 N HA 0.178 4.919 4.740 0.001 0.000 0.271 116 N C -2.219 173.242 175.510 -0.083 0.000 1.181 116 N CA -1.489 51.517 53.050 -0.074 0.000 0.805 116 N CB 1.474 39.942 38.487 -0.032 0.000 1.351 116 N HN -0.278 nan 8.380 nan 0.000 0.539 117 P HA -0.045 nan 4.420 nan 0.000 0.218 117 P C 0.702 177.985 177.300 -0.028 0.000 1.146 117 P CA 1.201 64.255 63.100 -0.078 0.000 0.813 117 P CB 0.398 32.061 31.700 -0.061 0.000 0.778 118 R N -1.414 119.079 120.500 -0.012 0.000 2.280 118 R HA 0.150 4.491 4.340 0.001 0.000 0.195 118 R C 0.541 176.866 176.300 0.042 0.000 0.935 118 R CA -0.106 55.998 56.100 0.007 0.000 1.033 118 R CB -0.207 30.083 30.300 -0.016 0.000 0.964 118 R HN 0.094 nan 8.270 nan 0.000 0.489 119 V N 2.179 122.131 119.914 0.063 0.000 2.637 119 V HA 0.144 4.265 4.120 0.001 0.000 0.296 119 V C 0.016 176.235 176.094 0.208 0.000 1.046 119 V CA -0.125 62.238 62.300 0.106 0.000 1.066 119 V CB 0.700 32.584 31.823 0.101 0.000 0.968 119 V HN 0.058 nan 8.190 nan 0.000 0.483 120 I N 6.873 127.531 120.570 0.147 0.000 2.353 120 I HA 0.305 4.476 4.170 0.001 0.000 0.293 120 I C -0.383 175.785 176.117 0.085 0.000 0.992 120 I CA -0.421 60.950 61.300 0.117 0.000 1.268 120 I CB 1.507 39.528 38.000 0.035 0.000 1.387 120 I HN 0.436 nan 8.210 nan 0.000 0.478 121 L N 7.265 128.470 121.223 -0.030 0.000 2.272 121 L HA 0.744 5.085 4.340 0.001 0.000 0.289 121 L C -0.261 176.511 176.870 -0.164 0.000 1.032 121 L CA -0.069 54.724 54.840 -0.077 0.000 0.810 121 L CB 0.970 42.965 42.059 -0.106 0.000 1.205 121 L HN 0.685 nan 8.230 nan 0.000 0.422 122 A N 3.706 126.479 122.820 -0.079 0.000 2.343 122 A HA 0.846 5.166 4.320 0.001 0.000 0.316 122 A C -0.710 176.837 177.584 -0.062 0.000 1.104 122 A CA -0.099 51.892 52.037 -0.077 0.000 0.768 122 A CB 1.248 20.223 19.000 -0.042 0.000 1.213 122 A HN 0.836 nan 8.150 nan 0.000 0.456 123 S N 0.865 116.524 115.700 -0.069 0.000 2.549 123 S HA 0.754 5.225 4.470 0.001 0.000 0.280 123 S C -0.982 173.592 174.600 -0.043 0.000 1.109 123 S CA -0.649 57.519 58.200 -0.053 0.000 0.905 123 S CB 1.493 64.662 63.200 -0.051 0.000 1.081 123 S HN 0.884 nan 8.310 nan 0.000 0.477 124 V N 3.039 122.932 119.914 -0.036 0.000 2.435 124 V HA 0.666 4.787 4.120 0.001 0.000 0.290 124 V C -0.360 175.713 176.094 -0.035 0.000 1.030 124 V CA -0.539 61.739 62.300 -0.037 0.000 0.881 124 V CB 1.477 33.279 31.823 -0.035 0.000 0.983 124 V HN 0.872 nan 8.190 nan 0.000 0.445 125 K N 2.351 122.722 120.400 -0.048 0.000 2.433 125 K HA 0.542 4.863 4.320 0.001 0.000 0.252 125 K C 1.075 177.619 176.600 -0.094 0.000 1.015 125 K CA -0.226 56.035 56.287 -0.043 0.000 0.860 125 K CB 1.860 34.349 32.500 -0.018 0.000 1.359 125 K HN 0.597 nan 8.250 nan 0.000 0.452 126 G N -0.030 108.716 108.800 -0.091 0.000 2.404 126 G HA2 -0.102 3.859 3.960 0.001 0.000 0.215 126 G HA3 -0.102 3.859 3.960 0.001 0.000 0.215 126 G C -0.162 174.466 174.900 -0.454 0.000 1.174 126 G CA 1.259 46.225 45.100 -0.224 0.000 0.780 126 G HN 0.387 nan 8.290 nan 0.000 0.537 127 Y N -0.663 119.538 120.300 -0.166 0.000 2.536 127 Y HA 0.659 5.210 4.550 0.001 0.000 0.347 127 Y C 0.483 176.293 175.900 -0.150 0.000 1.000 127 Y CA -1.168 56.783 58.100 -0.248 0.000 1.051 127 Y CB 1.733 39.940 38.460 -0.421 0.000 1.259 127 Y HN 0.238 nan 8.280 nan 0.000 0.468 128 A N 1.089 123.941 122.820 0.054 0.000 2.406 128 A HA 0.163 4.483 4.320 0.001 0.000 0.243 128 A C 0.064 177.689 177.584 0.068 0.000 1.082 128 A CA -0.474 51.597 52.037 0.056 0.000 0.786 128 A CB 0.068 19.114 19.000 0.077 0.000 1.029 128 A HN 0.807 nan 8.150 nan 0.000 0.495 129 E N -0.039 120.175 120.200 0.023 0.000 2.366 129 E HA 0.355 4.706 4.350 0.001 0.000 0.266 129 E C 1.163 177.775 176.600 0.020 0.000 1.015 129 E CA 1.035 57.436 56.400 0.001 0.000 0.906 129 E CB 0.020 29.716 29.700 -0.007 0.000 0.979 129 E HN 1.279 nan 8.360 nan 0.000 0.443 130 G N 3.816 112.619 108.800 0.004 0.000 2.213 130 G HA2 -0.248 3.712 3.960 0.001 0.000 0.226 130 G HA3 -0.248 3.712 3.960 0.001 0.000 0.226 130 G C 0.175 175.087 174.900 0.019 0.000 0.992 130 G CA 0.106 45.211 45.100 0.008 0.000 0.632 130 G HN 0.732 nan 8.290 nan 0.000 0.511 131 H N 1.173 120.216 119.070 -0.045 0.000 2.690 131 H HA 0.533 5.089 4.556 0.001 0.000 0.365 131 H C 1.802 177.070 175.328 -0.100 0.000 1.142 131 H CA 0.794 56.816 56.048 -0.043 0.000 1.417 131 H CB 1.372 31.142 29.762 0.013 0.000 1.446 131 H HN 0.310 nan 8.280 nan 0.000 0.599 132 A N 4.171 126.999 122.820 0.014 0.000 1.940 132 A HA -0.213 4.108 4.320 0.001 0.000 0.219 132 A C 1.477 179.061 177.584 0.001 0.000 1.176 132 A CA 1.501 53.545 52.037 0.011 0.000 0.631 132 A CB -0.122 18.853 19.000 -0.042 0.000 0.814 132 A HN 0.724 nan 8.150 nan 0.000 0.446 133 N N -0.127 118.559 118.700 -0.024 0.000 2.346 133 N HA 0.058 4.799 4.740 0.001 0.000 0.225 133 N C 1.023 176.300 175.510 -0.388 0.000 1.144 133 N CA 0.438 53.210 53.050 -0.463 0.000 0.837 133 N CB 0.071 37.740 38.487 -1.364 0.000 1.069 133 N HN 0.749 nan 8.380 nan 0.000 0.487 134 E N 0.272 120.347 120.200 -0.209 0.000 2.171 134 E HA -0.223 4.127 4.350 0.001 0.000 0.197 134 E C 0.254 176.697 176.600 -0.263 0.000 0.997 134 E CA 1.376 57.630 56.400 -0.243 0.000 0.810 134 E CB 0.028 29.486 29.700 -0.402 0.000 0.738 134 E HN 0.580 nan 8.360 nan 0.000 0.467 135 H N -0.788 118.283 119.070 0.002 0.000 2.551 135 H HA 0.261 4.818 4.556 0.001 0.000 0.271 135 H C -0.078 175.263 175.328 0.021 0.000 0.984 135 H CA -0.510 55.547 56.048 0.016 0.000 1.164 135 H CB 0.335 30.101 29.762 0.007 0.000 1.437 135 H HN 0.041 nan 8.280 nan 0.000 0.550 136 L N 1.488 122.768 121.223 0.095 0.000 2.371 136 L HA 0.181 4.522 4.340 0.001 0.000 0.272 136 L C 0.175 177.104 176.870 0.098 0.000 1.124 136 L CA -0.298 54.599 54.840 0.095 0.000 0.816 136 L CB 0.977 43.082 42.059 0.078 0.000 1.129 136 L HN 0.128 nan 8.230 nan 0.000 0.448 137 K N 2.223 122.654 120.400 0.051 0.000 2.258 137 K HA 0.484 4.804 4.320 0.001 0.000 0.284 137 K C -1.010 175.522 176.600 -0.113 0.000 1.051 137 K CA -0.414 55.846 56.287 -0.045 0.000 0.923 137 K CB 1.572 34.038 32.500 -0.057 0.000 1.046 137 K HN 0.256 nan 8.250 nan 0.000 0.474 138 V N 4.138 123.920 119.914 -0.219 0.000 2.656 138 V HA 0.355 4.476 4.120 0.001 0.000 0.307 138 V C -0.994 174.892 176.094 -0.347 0.000 1.051 138 V CA -0.992 61.197 62.300 -0.186 0.000 0.893 138 V CB 0.988 32.742 31.823 -0.116 0.000 0.999 138 V HN 0.590 nan 8.190 nan 0.000 0.426 139 Y N 0.760 121.062 120.300 0.005 0.000 2.596 139 Y HA 0.414 4.964 4.550 0.001 0.000 0.326 139 Y C 1.436 177.323 175.900 -0.022 0.000 1.167 139 Y CA -0.593 57.503 58.100 -0.007 0.000 1.246 139 Y CB 0.814 39.271 38.460 -0.006 0.000 1.347 139 Y HN 0.704 nan 8.280 nan 0.000 0.515 140 E N 1.010 121.308 120.200 0.163 0.000 2.082 140 E HA -0.306 4.044 4.350 0.001 0.000 0.215 140 E C 1.273 177.899 176.600 0.043 0.000 1.048 140 E CA 2.590 59.033 56.400 0.071 0.000 0.869 140 E CB -0.261 29.477 29.700 0.063 0.000 0.773 140 E HN 0.687 nan 8.360 nan 0.000 0.466 141 N N -0.650 118.079 118.700 0.049 0.000 2.331 141 N HA -0.071 4.669 4.740 0.001 0.000 0.180 141 N C 1.793 177.322 175.510 0.031 0.000 1.019 141 N CA 1.120 54.187 53.050 0.028 0.000 0.881 141 N CB -0.176 38.321 38.487 0.016 0.000 0.972 141 N HN 0.103 nan 8.380 nan 0.000 0.435 142 V N 1.347 121.295 119.914 0.056 0.000 2.343 142 V HA -0.177 3.944 4.120 0.001 0.000 0.247 142 V C 2.385 178.482 176.094 0.006 0.000 1.051 142 V CA 1.739 64.071 62.300 0.054 0.000 1.036 142 V CB -0.954 30.928 31.823 0.097 0.000 0.654 142 V HN 0.270 nan 8.190 nan 0.000 0.451 143 A N -0.746 122.055 122.820 -0.031 0.000 1.908 143 A HA -0.300 4.020 4.320 0.001 0.000 0.218 143 A C 2.184 179.723 177.584 -0.076 0.000 1.181 143 A CA 1.997 53.971 52.037 -0.105 0.000 0.627 143 A CB -0.515 18.418 19.000 -0.112 0.000 0.818 143 A HN 0.621 nan 8.150 nan 0.000 0.445 144 Q N -1.093 118.687 119.800 -0.034 0.000 2.124 144 Q HA -0.195 4.145 4.340 0.001 0.000 0.202 144 Q C 2.301 178.296 176.000 -0.008 0.000 0.977 144 Q CA 1.625 57.416 55.803 -0.020 0.000 0.850 144 Q CB -0.450 28.284 28.738 -0.006 0.000 0.901 144 Q HN 0.777 nan 8.270 nan 0.000 0.429 145 C N 0.272 119.575 119.300 0.004 0.000 2.440 145 C HA -0.090 4.371 4.460 0.001 0.000 0.278 145 C C 3.119 178.124 174.990 0.026 0.000 1.295 145 C CA 1.100 60.130 59.018 0.021 0.000 1.738 145 C CB -0.958 26.803 27.740 0.035 0.000 1.987 145 C HN 0.647 nan 8.230 nan 0.000 0.492 146 S N 0.630 116.334 115.700 0.007 0.000 2.428 146 S HA 0.008 4.478 4.470 0.001 0.000 0.230 146 S C 1.655 176.256 174.600 0.002 0.000 1.014 146 S CA 1.554 59.764 58.200 0.016 0.000 0.957 146 S CB -0.442 62.710 63.200 -0.080 0.000 0.784 146 S HN 0.605 nan 8.310 nan 0.000 0.499 147 G N -0.744 108.040 108.800 -0.027 0.000 3.277 147 G HA2 0.492 4.453 3.960 0.001 0.000 0.243 147 G HA3 0.492 4.453 3.960 0.001 0.000 0.243 147 G C 0.927 175.827 174.900 0.000 0.000 1.107 147 G CA -0.026 45.058 45.100 -0.027 0.000 0.771 147 G HN 1.306 nan 8.290 nan 0.000 0.544 148 G N -0.761 108.049 108.800 0.016 0.000 2.194 148 G HA2 -0.076 3.885 3.960 0.001 0.000 0.236 148 G HA3 -0.076 3.885 3.960 0.001 0.000 0.236 148 G C 1.359 176.276 174.900 0.028 0.000 0.987 148 G CA 0.920 46.037 45.100 0.029 0.000 0.635 148 G HN 1.085 nan 8.290 nan 0.000 0.520 149 A N 0.515 123.344 122.820 0.015 0.000 1.897 149 A HA 0.567 4.887 4.320 0.001 0.000 0.215 149 A C 2.786 180.380 177.584 0.017 0.000 1.181 149 A CA 2.479 54.523 52.037 0.013 0.000 0.620 149 A CB -0.804 18.196 19.000 0.000 0.000 0.821 149 A HN 1.709 nan 8.150 nan 0.000 0.443 150 A N 0.071 122.901 122.820 0.018 0.000 1.902 150 A HA 0.171 4.491 4.320 0.001 0.000 0.217 150 A C 2.476 180.080 177.584 0.033 0.000 1.181 150 A CA 1.988 54.038 52.037 0.021 0.000 0.623 150 A CB -1.015 17.998 19.000 0.021 0.000 0.818 150 A HN 1.057 nan 8.150 nan 0.000 0.443 151 A N -0.450 122.395 122.820 0.041 0.000 1.978 151 A HA -0.081 4.240 4.320 0.001 0.000 0.220 151 A C 2.166 179.791 177.584 0.068 0.000 1.170 151 A CA 2.324 54.393 52.037 0.054 0.000 0.636 151 A CB -0.986 18.047 19.000 0.055 0.000 0.810 151 A HN 0.839 nan 8.150 nan 0.000 0.448 152 T N -4.315 110.277 114.554 0.064 0.000 3.092 152 T HA 0.281 4.631 4.350 0.001 0.000 0.258 152 T C 0.273 175.005 174.700 0.055 0.000 1.031 152 T CA 0.379 62.530 62.100 0.085 0.000 0.925 152 T CB 0.000 68.925 68.868 0.095 0.000 1.036 152 T HN 0.123 nan 8.240 nan 0.000 0.544 153 T N 1.555 116.125 114.554 0.027 0.000 2.807 153 T HA 0.698 5.048 4.350 0.001 0.000 0.279 153 T C 0.516 175.207 174.700 -0.015 0.000 0.993 153 T CA 0.150 62.244 62.100 -0.011 0.000 0.970 153 T CB 1.336 70.196 68.868 -0.014 0.000 0.950 153 T HN 0.744 nan 8.240 nan 0.000 0.441 154 G N 2.271 111.030 108.800 -0.069 0.000 2.378 154 G HA2 0.033 3.994 3.960 0.001 0.000 0.198 154 G HA3 0.033 3.994 3.960 0.001 0.000 0.198 154 G C -1.583 173.204 174.900 -0.189 0.000 1.223 154 G CA -0.934 44.146 45.100 -0.034 0.000 1.088 154 G HN 0.568 nan 8.290 nan 0.000 0.530 155 F N 0.721 120.571 119.950 -0.166 0.000 2.522 155 F HA 0.534 5.061 4.527 0.001 0.000 0.324 155 F C 1.401 177.047 175.800 -0.257 0.000 1.077 155 F CA 0.079 57.849 58.000 -0.383 0.000 0.944 155 F CB 1.404 40.012 39.000 -0.654 0.000 1.175 155 F HN 0.781 nan 8.300 nan 0.000 0.468 156 W N 0.417 121.850 121.300 0.221 0.000 2.331 156 W HA -0.192 4.468 4.660 0.001 0.000 0.291 156 W C 1.061 177.656 176.519 0.126 0.000 1.214 156 W CA 1.493 58.921 57.345 0.139 0.000 1.228 156 W CB -0.849 28.676 29.460 0.108 0.000 1.135 156 W HN 0.448 nan 8.180 nan 0.000 0.537 157 D N -0.480 119.843 120.400 -0.129 0.000 2.368 157 D HA 0.286 4.926 4.640 0.001 0.000 0.218 157 D C 0.837 177.118 176.300 -0.032 0.000 1.112 157 D CA 0.277 54.282 54.000 0.008 0.000 0.834 157 D CB -0.338 40.479 40.800 0.027 0.000 0.953 157 D HN 0.191 nan 8.370 nan 0.000 0.505 158 G N 0.392 109.174 108.800 -0.030 0.000 3.013 158 G HA2 0.609 4.570 3.960 0.001 0.000 0.278 158 G HA3 0.609 4.570 3.960 0.001 0.000 0.278 158 G C -2.823 172.090 174.900 0.023 0.000 1.353 158 G CA -1.481 43.611 45.100 -0.012 0.000 1.043 158 G HN -0.059 nan 8.290 nan 0.000 0.523 159 P HA 0.341 nan 4.420 nan 0.000 0.276 159 P C -2.766 174.555 177.300 0.034 0.000 1.261 159 P CA -1.399 61.717 63.100 0.027 0.000 0.800 159 P CB 0.476 32.186 31.700 0.016 0.000 1.066 160 P HA 0.083 nan 4.420 nan 0.000 0.264 160 P C -0.441 176.873 177.300 0.024 0.000 1.183 160 P CA 0.840 63.961 63.100 0.034 0.000 0.763 160 P CB -0.084 31.637 31.700 0.035 0.000 0.807 161 T N 1.864 116.430 114.554 0.020 0.000 2.824 161 T HA 0.399 4.750 4.350 0.001 0.000 0.282 161 T C -0.003 174.700 174.700 0.004 0.000 0.993 161 T CA -0.675 61.432 62.100 0.011 0.000 0.967 161 T CB 1.047 69.924 68.868 0.014 0.000 0.960 161 T HN 0.283 nan 8.240 nan 0.000 0.441 162 V N 1.709 121.623 119.914 0.000 0.000 2.811 162 V HA 0.593 4.713 4.120 0.001 0.000 0.302 162 V C 0.261 176.349 176.094 -0.010 0.000 1.063 162 V CA -0.418 61.880 62.300 -0.003 0.000 1.088 162 V CB 0.891 32.711 31.823 -0.004 0.000 0.982 162 V HN 0.826 nan 8.190 nan 0.000 0.485 163 S N 3.276 118.969 115.700 -0.011 0.000 2.554 163 S HA 0.517 4.988 4.470 0.001 0.000 0.278 163 S C 1.303 175.895 174.600 -0.014 0.000 1.242 163 S CA 0.108 58.298 58.200 -0.017 0.000 1.051 163 S CB 1.410 64.600 63.200 -0.017 0.000 0.986 163 S HN 1.230 nan 8.310 nan 0.000 0.502 164 G N 1.579 110.367 108.800 -0.019 0.000 2.443 164 G HA2 0.153 4.114 3.960 0.001 0.000 0.219 164 G HA3 0.153 4.114 3.960 0.001 0.000 0.219 164 G C 0.549 175.444 174.900 -0.008 0.000 1.131 164 G CA 0.432 45.522 45.100 -0.016 0.000 0.775 164 G HN 0.905 nan 8.290 nan 0.000 0.547 165 A N 0.242 123.057 122.820 -0.008 0.000 2.445 165 A HA 0.604 4.924 4.320 0.001 0.000 0.242 165 A C 0.871 178.465 177.584 0.016 0.000 1.075 165 A CA 0.379 52.418 52.037 0.002 0.000 0.777 165 A CB 0.438 19.435 19.000 -0.005 0.000 1.013 165 A HN 0.941 nan 8.150 nan 0.000 0.493 166 A N 2.838 125.679 122.820 0.036 0.000 3.056 166 A HA 0.441 4.762 4.320 0.001 0.000 0.274 166 A C 0.948 178.558 177.584 0.044 0.000 1.661 166 A CA -0.378 51.689 52.037 0.051 0.000 1.363 166 A CB -0.863 18.194 19.000 0.096 0.000 1.139 166 A HN 0.837 nan 8.150 nan 0.000 0.598 167 L N 0.758 121.995 121.223 0.024 0.000 2.201 167 L HA -0.100 4.241 4.340 0.001 0.000 0.212 167 L C 2.566 179.434 176.870 -0.002 0.000 1.105 167 L CA 1.370 56.219 54.840 0.014 0.000 0.775 167 L CB -0.308 41.750 42.059 -0.001 0.000 0.913 167 L HN 0.655 nan 8.230 nan 0.000 0.440 168 G N -0.832 107.966 108.800 -0.004 0.000 2.417 168 G HA2 -0.137 3.824 3.960 0.001 0.000 0.212 168 G HA3 -0.137 3.824 3.960 0.001 0.000 0.212 168 G C 1.158 176.054 174.900 -0.007 0.000 1.187 168 G CA 0.370 45.455 45.100 -0.025 0.000 0.804 168 G HN 0.189 nan 8.290 nan 0.000 0.534 169 D N 0.265 120.684 120.400 0.030 0.000 2.278 169 D HA 0.029 4.670 4.640 0.001 0.000 0.228 169 D C 2.839 179.192 176.300 0.088 0.000 1.020 169 D CA 0.815 54.844 54.000 0.049 0.000 0.922 169 D CB -0.133 40.708 40.800 0.067 0.000 1.051 169 D HN 0.124 nan 8.370 nan 0.000 0.452 170 S N 1.034 116.816 115.700 0.137 0.000 2.383 170 S HA -0.187 4.284 4.470 0.001 0.000 0.229 170 S C 1.664 176.336 174.600 0.119 0.000 1.030 170 S CA 1.130 59.424 58.200 0.156 0.000 1.002 170 S CB -0.302 62.996 63.200 0.162 0.000 0.829 170 S HN 0.211 nan 8.310 nan 0.000 0.467 171 N N 1.384 120.149 118.700 0.109 0.000 2.104 171 N HA -0.071 4.670 4.740 0.001 0.000 0.190 171 N C 1.642 177.281 175.510 0.215 0.000 1.024 171 N CA 1.878 55.021 53.050 0.154 0.000 0.853 171 N CB -0.454 38.099 38.487 0.110 0.000 1.008 171 N HN 0.215 nan 8.380 nan 0.000 0.424 172 S N -0.963 114.792 115.700 0.092 0.000 2.382 172 S HA -0.007 4.463 4.470 0.001 0.000 0.228 172 S C 1.923 176.580 174.600 0.095 0.000 1.027 172 S CA 1.078 59.307 58.200 0.049 0.000 0.991 172 S CB -0.866 62.319 63.200 -0.024 0.000 0.823 172 S HN 0.631 nan 8.310 nan 0.000 0.469 173 G N 1.709 110.563 108.800 0.089 0.000 2.422 173 G HA2 -0.166 3.795 3.960 0.001 0.000 0.218 173 G HA3 -0.166 3.795 3.960 0.001 0.000 0.218 173 G C 1.346 176.299 174.900 0.088 0.000 1.146 173 G CA 0.774 45.921 45.100 0.078 0.000 0.769 173 G HN 0.311 nan 8.290 nan 0.000 0.547 174 M N 0.043 119.710 119.600 0.111 0.000 2.200 174 M HA 0.047 4.528 4.480 0.001 0.000 0.265 174 M C 2.189 178.510 176.300 0.035 0.000 1.066 174 M CA 1.083 56.433 55.300 0.084 0.000 1.127 174 M CB -1.293 31.355 32.600 0.080 0.000 1.379 174 M HN 0.294 nan 8.290 nan 0.000 0.420 175 H N 0.089 119.176 119.070 0.027 0.000 2.352 175 H HA -0.145 4.412 4.556 0.001 0.000 0.299 175 H C 1.887 177.214 175.328 -0.001 0.000 1.097 175 H CA 1.709 57.763 56.048 0.010 0.000 1.311 175 H CB -0.278 29.484 29.762 0.000 0.000 1.377 175 H HN 0.154 nan 8.280 nan 0.000 0.504 176 L N -0.036 121.255 121.223 0.114 0.000 2.131 176 L HA -0.137 4.204 4.340 0.001 0.000 0.210 176 L C 2.284 179.167 176.870 0.021 0.000 1.092 176 L CA 1.409 56.278 54.840 0.047 0.000 0.759 176 L CB -0.470 41.605 42.059 0.026 0.000 0.903 176 L HN 0.330 nan 8.230 nan 0.000 0.435 177 M N -1.265 118.348 119.600 0.022 0.000 2.159 177 M HA -0.224 4.256 4.480 0.001 0.000 0.263 177 M C 2.107 178.395 176.300 -0.020 0.000 1.063 177 M CA 1.826 57.128 55.300 0.003 0.000 1.110 177 M CB -0.124 32.487 32.600 0.019 0.000 1.374 177 M HN 0.305 nan 8.290 nan 0.000 0.411 178 I N -0.412 120.142 120.570 -0.027 0.000 2.179 178 I HA -0.210 3.961 4.170 0.001 0.000 0.242 178 I C 2.509 178.614 176.117 -0.020 0.000 1.088 178 I CA 1.387 62.663 61.300 -0.040 0.000 1.357 178 I CB -1.142 36.825 38.000 -0.055 0.000 1.051 178 I HN 0.446 nan 8.210 nan 0.000 0.409 179 G N 1.352 110.150 108.800 -0.004 0.000 2.446 179 G HA2 -0.230 3.731 3.960 0.001 0.000 0.217 179 G HA3 -0.230 3.731 3.960 0.001 0.000 0.217 179 G C 1.691 176.581 174.900 -0.017 0.000 1.168 179 G CA 0.844 45.939 45.100 -0.009 0.000 0.771 179 G HN 0.317 nan 8.290 nan 0.000 0.551 180 I N 0.387 120.947 120.570 -0.018 0.000 2.179 180 I HA -0.139 4.032 4.170 0.001 0.000 0.242 180 I C 2.727 178.836 176.117 -0.013 0.000 1.088 180 I CA 0.774 62.063 61.300 -0.018 0.000 1.357 180 I CB -0.233 37.757 38.000 -0.016 0.000 1.051 180 I HN 0.119 nan 8.210 nan 0.000 0.409 181 L N 0.366 121.578 121.223 -0.019 0.000 2.083 181 L HA -0.178 4.163 4.340 0.001 0.000 0.209 181 L C 2.830 179.698 176.870 -0.003 0.000 1.083 181 L CA 1.149 55.978 54.840 -0.017 0.000 0.752 181 L CB -0.758 41.276 42.059 -0.040 0.000 0.899 181 L HN 0.246 nan 8.230 nan 0.000 0.433 182 A N 0.245 123.061 122.820 -0.007 0.000 1.902 182 A HA -0.164 4.157 4.320 0.001 0.000 0.217 182 A C 2.542 180.134 177.584 0.014 0.000 1.181 182 A CA 1.728 53.765 52.037 0.001 0.000 0.623 182 A CB -0.691 18.306 19.000 -0.004 0.000 0.818 182 A HN 0.385 nan 8.150 nan 0.000 0.443 183 A N -0.452 122.371 122.820 0.006 0.000 1.972 183 A HA 0.009 4.330 4.320 0.001 0.000 0.219 183 A C 2.118 179.717 177.584 0.024 0.000 1.169 183 A CA 1.361 53.404 52.037 0.010 0.000 0.635 183 A CB -0.545 18.450 19.000 -0.007 0.000 0.810 183 A HN 0.476 nan 8.150 nan 0.000 0.446 184 L N -0.682 120.557 121.223 0.027 0.000 2.141 184 L HA -0.145 4.196 4.340 0.001 0.000 0.209 184 L C 2.544 179.502 176.870 0.146 0.000 1.094 184 L CA 1.038 55.903 54.840 0.042 0.000 0.763 184 L CB -0.387 41.698 42.059 0.043 0.000 0.908 184 L HN 0.343 nan 8.230 nan 0.000 0.437 185 E N 0.179 120.463 120.200 0.139 0.000 2.107 185 E HA -0.125 4.226 4.350 0.001 0.000 0.191 185 E C 2.305 178.985 176.600 0.134 0.000 0.982 185 E CA 0.957 57.457 56.400 0.166 0.000 0.809 185 E CB -0.040 29.695 29.700 0.057 0.000 0.756 185 E HN 0.505 nan 8.360 nan 0.000 0.459 186 I N 0.807 121.424 120.570 0.078 0.000 2.163 186 I HA -0.304 3.866 4.170 0.001 0.000 0.243 186 I C 2.788 178.941 176.117 0.061 0.000 1.085 186 I CA 1.224 62.560 61.300 0.060 0.000 1.347 186 I CB -0.275 37.751 38.000 0.043 0.000 1.044 186 I HN 0.029 nan 8.210 nan 0.000 0.408 187 R N 0.158 120.681 120.500 0.038 0.000 2.120 187 R HA -0.212 4.128 4.340 0.001 0.000 0.234 187 R C 2.282 178.555 176.300 -0.044 0.000 1.123 187 R CA 1.639 57.728 56.100 -0.017 0.000 0.975 187 R CB -0.289 29.970 30.300 -0.068 0.000 0.866 187 R HN 0.427 nan 8.270 nan 0.000 0.446 188 H N -0.289 118.784 119.070 0.004 0.000 2.387 188 H HA -0.106 4.450 4.556 0.001 0.000 0.299 188 H C 1.839 177.169 175.328 0.002 0.000 1.099 188 H CA 2.205 58.253 56.048 0.000 0.000 1.315 188 H CB 0.223 29.982 29.762 -0.005 0.000 1.380 188 H HN 0.224 nan 8.280 nan 0.000 0.513 189 K N -0.752 119.720 120.400 0.119 0.000 2.029 189 K HA -0.039 4.282 4.320 0.001 0.000 0.205 189 K C 2.314 178.940 176.600 0.043 0.000 1.042 189 K CA 1.630 57.959 56.287 0.069 0.000 0.949 189 K CB 0.052 32.584 32.500 0.054 0.000 0.740 189 K HN 0.363 nan 8.250 nan 0.000 0.442 190 T N -2.685 111.890 114.554 0.036 0.000 3.054 190 T HA 0.136 4.486 4.350 0.001 0.000 0.259 190 T C 1.553 176.262 174.700 0.014 0.000 1.092 190 T CA 0.619 62.734 62.100 0.026 0.000 1.121 190 T CB 0.205 69.092 68.868 0.032 0.000 0.912 190 T HN 0.384 nan 8.240 nan 0.000 0.489 191 G N 1.738 110.540 108.800 0.003 0.000 2.168 191 G HA2 -0.221 3.740 3.960 0.001 0.000 0.263 191 G HA3 -0.221 3.740 3.960 0.001 0.000 0.263 191 G C 0.089 174.985 174.900 -0.007 0.000 0.977 191 G CA 0.012 45.104 45.100 -0.013 0.000 0.659 191 G HN 0.652 nan 8.290 nan 0.000 0.533 192 R N 0.019 120.526 120.500 0.012 0.000 2.711 192 R HA 0.664 5.005 4.340 0.001 0.000 0.284 192 R C 0.661 177.000 176.300 0.065 0.000 0.968 192 R CA -0.072 56.047 56.100 0.033 0.000 0.924 192 R CB 1.307 31.634 30.300 0.044 0.000 1.162 192 R HN 0.358 nan 8.270 nan 0.000 0.465 193 G N 0.574 109.440 108.800 0.109 0.000 2.537 193 G HA2 0.405 4.366 3.960 0.001 0.000 0.273 193 G HA3 0.405 4.366 3.960 0.001 0.000 0.273 193 G C -0.578 174.515 174.900 0.321 0.000 1.189 193 G CA -0.209 45.003 45.100 0.187 0.000 0.881 193 G HN 0.369 nan 8.290 nan 0.000 0.535 194 Q N -0.984 118.959 119.800 0.238 0.000 2.587 194 Q HA 0.372 4.712 4.340 0.001 0.000 0.293 194 Q C -0.815 174.982 176.000 -0.340 0.000 1.083 194 Q CA -0.912 54.974 55.803 0.138 0.000 0.792 194 Q CB 2.681 31.445 28.738 0.043 0.000 1.484 194 Q HN 0.512 nan 8.270 nan 0.000 0.446 195 K N 1.124 121.073 120.400 -0.752 0.000 2.211 195 K HA 0.463 4.784 4.320 0.001 0.000 0.275 195 K C -1.476 174.878 176.600 -0.410 0.000 1.024 195 K CA -0.295 55.441 56.287 -0.917 0.000 0.887 195 K CB 1.300 32.989 32.500 -1.351 0.000 1.084 195 K HN 0.350 nan 8.250 nan 0.000 0.463 196 V N 3.406 123.150 119.914 -0.284 0.000 2.540 196 V HA 0.799 4.920 4.120 0.001 0.000 0.302 196 V C -1.401 174.613 176.094 -0.132 0.000 1.035 196 V CA -0.393 61.811 62.300 -0.159 0.000 0.873 196 V CB 1.539 33.303 31.823 -0.098 0.000 0.992 196 V HN 0.935 nan 8.190 nan 0.000 0.428 197 A N 5.692 128.453 122.820 -0.098 0.000 2.393 197 A HA 0.860 5.181 4.320 0.001 0.000 0.306 197 A C -1.386 176.170 177.584 -0.047 0.000 1.050 197 A CA -0.525 51.467 52.037 -0.074 0.000 0.724 197 A CB 2.053 21.006 19.000 -0.078 0.000 1.248 197 A HN 0.948 nan 8.150 nan 0.000 0.424 198 V N 1.823 121.713 119.914 -0.040 0.000 2.448 198 V HA 0.667 4.788 4.120 0.001 0.000 0.295 198 V C 0.583 176.638 176.094 -0.065 0.000 1.025 198 V CA -0.361 61.914 62.300 -0.041 0.000 0.859 198 V CB 1.484 33.299 31.823 -0.014 0.000 0.988 198 V HN 1.247 nan 8.190 nan 0.000 0.431 199 A N 4.918 127.687 122.820 -0.085 0.000 2.331 199 A HA 0.594 4.914 4.320 0.001 0.000 0.283 199 A C 1.016 178.496 177.584 -0.172 0.000 1.142 199 A CA -0.417 51.545 52.037 -0.125 0.000 0.812 199 A CB 0.572 19.500 19.000 -0.120 0.000 1.074 199 A HN 0.910 nan 8.150 nan 0.000 0.497 200 M N 0.783 120.261 119.600 -0.204 0.000 2.117 200 M HA -0.207 4.274 4.480 0.001 0.000 0.262 200 M C 2.257 178.410 176.300 -0.245 0.000 1.065 200 M CA 2.015 57.191 55.300 -0.207 0.000 1.114 200 M CB -0.292 32.189 32.600 -0.198 0.000 1.361 200 M HN 0.985 nan 8.290 nan 0.000 0.408 201 Q N 0.788 120.380 119.800 -0.347 0.000 2.096 201 Q HA -0.240 4.101 4.340 0.001 0.000 0.204 201 Q C 1.166 177.057 176.000 -0.181 0.000 0.982 201 Q CA 1.986 57.606 55.803 -0.306 0.000 0.850 201 Q CB 0.020 28.502 28.738 -0.428 0.000 0.901 201 Q HN 0.461 nan 8.270 nan 0.000 0.422 202 D N -0.117 120.183 120.400 -0.168 0.000 2.149 202 D HA -0.080 4.561 4.640 0.001 0.000 0.201 202 D C 1.631 177.809 176.300 -0.203 0.000 0.972 202 D CA 1.235 55.157 54.000 -0.129 0.000 0.835 202 D CB -0.236 40.508 40.800 -0.093 0.000 0.966 202 D HN 0.404 nan 8.370 nan 0.000 0.476 203 A N 0.488 123.129 122.820 -0.298 0.000 1.930 203 A HA -0.091 4.230 4.320 0.001 0.000 0.217 203 A C 2.435 179.832 177.584 -0.311 0.000 1.175 203 A CA 0.911 52.624 52.037 -0.539 0.000 0.627 203 A CB -0.631 18.058 19.000 -0.519 0.000 0.815 203 A HN 0.129 nan 8.150 nan 0.000 0.443 204 V N 0.036 119.841 119.914 -0.182 0.000 2.295 204 V HA -0.257 3.863 4.120 0.001 0.000 0.246 204 V C 2.533 178.586 176.094 -0.069 0.000 1.049 204 V CA 1.915 64.156 62.300 -0.099 0.000 1.024 204 V CB -0.755 31.016 31.823 -0.086 0.000 0.648 204 V HN 0.577 nan 8.190 nan 0.000 0.447 205 L N 0.233 121.412 121.223 -0.073 0.000 2.042 205 L HA -0.228 4.112 4.340 0.001 0.000 0.210 205 L C 2.512 179.370 176.870 -0.021 0.000 1.076 205 L CA 1.976 56.796 54.840 -0.034 0.000 0.749 205 L CB -0.588 41.456 42.059 -0.025 0.000 0.893 205 L HN 0.450 nan 8.230 nan 0.000 0.432 206 N N 0.265 118.940 118.700 -0.041 0.000 2.094 206 N HA -0.211 4.529 4.740 0.001 0.000 0.191 206 N C 1.729 177.264 175.510 0.042 0.000 1.023 206 N CA 1.501 54.558 53.050 0.011 0.000 0.857 206 N CB -0.157 38.353 38.487 0.039 0.000 1.013 206 N HN 0.264 nan 8.380 nan 0.000 0.426 207 L N -0.616 120.627 121.223 0.032 0.000 2.313 207 L HA 0.032 4.373 4.340 0.001 0.000 0.214 207 L C 1.119 178.003 176.870 0.024 0.000 1.119 207 L CA 0.425 55.290 54.840 0.042 0.000 0.809 207 L CB 0.019 42.104 42.059 0.045 0.000 0.933 207 L HN 0.030 nan 8.230 nan 0.000 0.449 208 V N -0.466 119.458 119.914 0.016 0.000 3.499 208 V HA 0.013 4.134 4.120 0.001 0.000 0.308 208 V C 2.189 178.299 176.094 0.028 0.000 1.319 208 V CA 0.209 62.522 62.300 0.022 0.000 1.194 208 V CB -0.323 31.512 31.823 0.019 0.000 1.072 208 V HN 0.377 nan 8.190 nan 0.000 0.426 209 R N 0.789 121.304 120.500 0.026 0.000 2.119 209 R HA -0.230 4.110 4.340 0.001 0.000 0.246 209 R C 2.163 178.481 176.300 0.030 0.000 1.146 209 R CA 2.020 58.136 56.100 0.026 0.000 0.962 209 R CB -0.254 30.062 30.300 0.026 0.000 0.863 209 R HN 0.465 nan 8.270 nan 0.000 0.442 210 I N 1.395 121.984 120.570 0.033 0.000 2.335 210 I HA -0.269 3.902 4.170 0.001 0.000 0.251 210 I C 1.511 177.664 176.117 0.060 0.000 1.129 210 I CA 1.659 62.984 61.300 0.040 0.000 1.402 210 I CB -0.003 38.020 38.000 0.037 0.000 1.069 210 I HN 0.067 nan 8.210 nan 0.000 0.424 211 K N -0.435 120.003 120.400 0.064 0.000 2.296 211 K HA 0.022 4.343 4.320 0.001 0.000 0.200 211 K C 1.925 178.559 176.600 0.057 0.000 1.048 211 K CA 0.666 57.002 56.287 0.082 0.000 0.966 211 K CB -0.595 31.956 32.500 0.085 0.000 0.754 211 K HN 0.285 nan 8.250 nan 0.000 0.466 212 L N 1.707 122.954 121.223 0.041 0.000 2.156 212 L HA -0.001 4.339 4.340 0.001 0.000 0.208 212 L C 2.445 179.328 176.870 0.022 0.000 1.095 212 L CA 1.426 56.283 54.840 0.029 0.000 0.770 212 L CB -0.376 41.697 42.059 0.024 0.000 0.914 212 L HN 0.046 nan 8.230 nan 0.000 0.439 213 R N -0.360 120.155 120.500 0.025 0.000 2.083 213 R HA -0.197 4.144 4.340 0.001 0.000 0.237 213 R C 1.741 178.049 176.300 0.013 0.000 1.137 213 R CA 2.128 58.238 56.100 0.017 0.000 0.951 213 R CB -0.408 29.905 30.300 0.021 0.000 0.851 213 R HN 0.399 nan 8.270 nan 0.000 0.434 214 D N 0.112 120.531 120.400 0.032 0.000 2.144 214 D HA -0.170 4.470 4.640 0.001 0.000 0.200 214 D C 1.909 178.197 176.300 -0.021 0.000 0.978 214 D CA 1.039 55.047 54.000 0.013 0.000 0.833 214 D CB -0.290 40.552 40.800 0.070 0.000 0.961 214 D HN 0.236 nan 8.370 nan 0.000 0.470 215 Q N 0.953 120.754 119.800 0.002 0.000 2.084 215 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 215 Q C 1.973 177.965 176.000 -0.013 0.000 0.978 215 Q CA 1.599 57.401 55.803 -0.001 0.000 0.844 215 Q CB -0.185 28.562 28.738 0.015 0.000 0.898 215 Q HN 0.353 nan 8.270 nan 0.000 0.426 216 Q N -0.668 119.126 119.800 -0.011 0.000 2.079 216 Q HA -0.088 4.253 4.340 0.001 0.000 0.200 216 Q C 2.229 178.211 176.000 -0.031 0.000 0.974 216 Q CA 1.250 57.043 55.803 -0.016 0.000 0.840 216 Q CB -0.079 28.653 28.738 -0.010 0.000 0.898 216 Q HN 0.322 nan 8.270 nan 0.000 0.430 217 R N 0.291 120.767 120.500 -0.041 0.000 2.091 217 R HA -0.166 4.175 4.340 0.001 0.000 0.238 217 R C 2.286 178.532 176.300 -0.090 0.000 1.136 217 R CA 1.124 57.186 56.100 -0.064 0.000 0.959 217 R CB -0.426 29.831 30.300 -0.071 0.000 0.856 217 R HN 0.157 nan 8.270 nan 0.000 0.437 218 L N 1.610 122.775 121.223 -0.097 0.000 2.046 218 L HA -0.161 4.179 4.340 0.001 0.000 0.208 218 L C 1.698 178.535 176.870 -0.056 0.000 1.077 218 L CA 1.836 56.614 54.840 -0.104 0.000 0.747 218 L CB -0.342 41.673 42.059 -0.074 0.000 0.896 218 L HN 0.125 nan 8.230 nan 0.000 0.432 219 E N -0.786 119.393 120.200 -0.035 0.000 2.051 219 E HA -0.211 4.139 4.350 0.001 0.000 0.192 219 E C 2.286 178.870 176.600 -0.027 0.000 0.991 219 E CA 1.368 57.755 56.400 -0.021 0.000 0.799 219 E CB -0.130 29.562 29.700 -0.013 0.000 0.748 219 E HN 0.467 nan 8.360 nan 0.000 0.449 220 R N -0.205 120.275 120.500 -0.034 0.000 2.115 220 R HA -0.052 4.289 4.340 0.001 0.000 0.226 220 R C 2.293 178.569 176.300 -0.041 0.000 1.100 220 R CA 1.744 57.824 56.100 -0.033 0.000 0.980 220 R CB -0.005 30.275 30.300 -0.033 0.000 0.875 220 R HN 0.276 nan 8.270 nan 0.000 0.445 221 T N -5.480 109.040 114.554 -0.058 0.000 2.954 221 T HA 0.250 4.600 4.350 0.001 0.000 0.252 221 T C 1.395 176.050 174.700 -0.075 0.000 0.983 221 T CA 0.455 62.515 62.100 -0.067 0.000 0.941 221 T CB 1.192 70.009 68.868 -0.086 0.000 1.141 221 T HN 0.303 nan 8.240 nan 0.000 0.500 222 G N 1.409 110.162 108.800 -0.080 0.000 2.179 222 G HA2 -0.194 3.767 3.960 0.001 0.000 0.260 222 G HA3 -0.194 3.767 3.960 0.001 0.000 0.260 222 G C -0.095 174.732 174.900 -0.122 0.000 0.977 222 G CA 0.337 45.401 45.100 -0.059 0.000 0.641 222 G HN 0.860 nan 8.290 nan 0.000 0.533 223 I N -0.178 120.221 120.570 -0.284 0.000 2.827 223 I HA 0.620 4.791 4.170 0.001 0.000 0.298 223 I C -1.065 174.593 176.117 -0.766 0.000 1.235 223 I CA -1.423 59.506 61.300 -0.620 0.000 1.021 223 I CB 1.731 39.531 38.000 -0.333 0.000 1.259 223 I HN -0.030 nan 8.210 nan 0.000 0.427 224 L N 7.334 127.740 121.223 -1.362 0.000 2.366 224 L HA 0.493 4.834 4.340 0.001 0.000 0.266 224 L C 0.993 177.684 176.870 -0.298 0.000 1.010 224 L CA -0.369 54.055 54.840 -0.694 0.000 0.879 224 L CB 1.498 43.099 42.059 -0.762 0.000 1.228 224 L HN 0.783 nan 8.230 nan 0.000 0.439 225 A N 2.048 124.823 122.820 -0.075 0.000 2.070 225 A HA -0.135 4.186 4.320 0.001 0.000 0.220 225 A C 1.995 179.704 177.584 0.209 0.000 1.159 225 A CA 1.397 53.472 52.037 0.064 0.000 0.656 225 A CB -0.160 18.926 19.000 0.142 0.000 0.800 225 A HN 0.802 nan 8.150 nan 0.000 0.453 226 E N -1.195 119.228 120.200 0.372 0.000 2.502 226 E HA -0.044 4.307 4.350 0.001 0.000 0.194 226 E C -0.610 176.160 176.600 0.283 0.000 1.062 226 E CA -0.137 56.497 56.400 0.391 0.000 0.867 226 E CB -0.319 29.599 29.700 0.364 0.000 0.888 226 E HN 0.541 nan 8.360 nan 0.000 0.510 227 Y N 1.161 121.557 120.300 0.161 0.000 2.301 227 Y HA 0.228 4.779 4.550 0.001 0.000 0.325 227 Y C -1.326 174.632 175.900 0.097 0.000 1.203 227 Y CA -2.372 55.851 58.100 0.205 0.000 1.255 227 Y CB 1.050 39.742 38.460 0.387 0.000 1.232 227 Y HN -0.139 nan 8.280 nan 0.000 0.501 228 P HA -0.186 nan 4.420 nan 0.000 0.216 228 P C 0.808 178.033 177.300 -0.125 0.000 1.150 228 P CA 1.601 64.606 63.100 -0.158 0.000 0.837 228 P CB 0.316 31.905 31.700 -0.185 0.000 0.786 229 Q N -0.727 119.017 119.800 -0.093 0.000 2.364 229 Q HA -0.023 4.317 4.340 0.001 0.000 0.209 229 Q C 2.112 178.089 176.000 -0.039 0.000 0.977 229 Q CA 1.431 57.088 55.803 -0.244 0.000 0.885 229 Q CB -1.027 27.368 28.738 -0.572 0.000 0.941 229 Q HN 0.206 nan 8.270 nan 0.000 0.464 230 A N 0.355 123.313 122.820 0.229 0.000 2.066 230 A HA -0.136 4.185 4.320 0.001 0.000 0.218 230 A C 1.101 178.683 177.584 -0.003 0.000 1.157 230 A CA 0.249 52.410 52.037 0.206 0.000 0.670 230 A CB -0.248 18.855 19.000 0.172 0.000 0.804 230 A HN 0.361 nan 8.150 nan 0.000 0.453 231 Q N 1.026 120.778 119.800 -0.080 0.000 2.296 231 Q HA 0.228 4.569 4.340 0.001 0.000 0.263 231 Q C -2.577 173.375 176.000 -0.081 0.000 1.026 231 Q CA -2.207 53.519 55.803 -0.129 0.000 0.912 231 Q CB 0.532 29.138 28.738 -0.221 0.000 1.198 231 Q HN 0.145 nan 8.270 nan 0.000 0.407 232 P HA -0.052 nan 4.420 nan 0.000 0.264 232 P C -1.019 176.256 177.300 -0.043 0.000 1.193 232 P CA 0.378 63.436 63.100 -0.069 0.000 0.763 232 P CB 0.450 32.115 31.700 -0.058 0.000 0.810 233 N N 0.295 118.943 118.700 -0.087 0.000 2.782 233 N HA -0.242 4.499 4.740 0.001 0.000 0.251 233 N C 0.139 175.667 175.510 0.030 0.000 1.101 233 N CA 0.724 53.767 53.050 -0.011 0.000 0.764 233 N CB -1.940 36.622 38.487 0.124 0.000 1.122 233 N HN 0.438 nan 8.380 nan 0.000 0.561 234 F N 0.385 120.159 119.950 -0.294 0.000 2.399 234 F HA 0.438 4.966 4.527 0.001 0.000 0.282 234 F C 1.098 176.713 175.800 -0.308 0.000 1.027 234 F CA 1.005 58.893 58.000 -0.188 0.000 1.333 234 F CB -0.021 38.843 39.000 -0.226 0.000 1.132 234 F HN 0.103 nan 8.300 nan 0.000 0.590 235 A N 0.500 122.815 122.820 -0.841 0.000 2.301 235 A HA 0.593 4.913 4.320 0.001 0.000 0.312 235 A C -1.563 175.424 177.584 -0.995 0.000 1.182 235 A CA -0.182 51.275 52.037 -0.966 0.000 0.826 235 A CB -0.118 18.169 19.000 -1.188 0.000 1.134 235 A HN 0.275 nan 8.150 nan 0.000 0.501 236 F N 0.549 120.475 119.950 -0.039 0.000 2.599 236 F HA 0.408 4.936 4.527 0.001 0.000 0.311 236 F C 0.185 176.094 175.800 0.182 0.000 1.076 236 F CA -0.868 57.159 58.000 0.044 0.000 0.937 236 F CB 1.797 40.803 39.000 0.011 0.000 1.282 236 F HN 0.733 nan 8.300 nan 0.000 0.460 237 D N 0.203 120.776 120.400 0.288 0.000 2.447 237 D HA 0.219 4.860 4.640 0.001 0.000 0.265 237 D C 0.841 177.246 176.300 0.176 0.000 1.250 237 D CA -0.443 53.690 54.000 0.222 0.000 1.046 237 D CB 0.542 41.428 40.800 0.144 0.000 1.095 237 D HN 0.516 nan 8.370 nan 0.000 0.555 238 R N -1.346 119.222 120.500 0.113 0.000 2.241 238 R HA -0.040 4.300 4.340 0.001 0.000 0.224 238 R C 0.541 176.873 176.300 0.054 0.000 1.101 238 R CA 1.222 57.364 56.100 0.069 0.000 0.995 238 R CB -0.186 30.140 30.300 0.043 0.000 0.870 238 R HN 0.469 nan 8.270 nan 0.000 0.463 239 D N -1.114 119.324 120.400 0.063 0.000 2.368 239 D HA 0.115 4.756 4.640 0.001 0.000 0.218 239 D C 0.670 176.998 176.300 0.047 0.000 1.112 239 D CA 0.539 54.566 54.000 0.044 0.000 0.834 239 D CB 0.515 41.338 40.800 0.040 0.000 0.953 239 D HN 0.249 nan 8.370 nan 0.000 0.505 240 G N 0.692 109.537 108.800 0.075 0.000 2.148 240 G HA2 -0.287 3.674 3.960 0.001 0.000 0.254 240 G HA3 -0.287 3.674 3.960 0.001 0.000 0.254 240 G C 0.047 175.051 174.900 0.173 0.000 0.981 240 G CA -0.200 44.938 45.100 0.064 0.000 0.670 240 G HN 0.331 nan 8.290 nan 0.000 0.528 241 N N 1.974 120.780 118.700 0.178 0.000 2.513 241 N HA 0.344 5.085 4.740 0.001 0.000 0.268 241 N C -2.359 173.291 175.510 0.233 0.000 1.180 241 N CA -0.813 52.342 53.050 0.174 0.000 0.948 241 N CB 1.173 39.716 38.487 0.094 0.000 1.083 241 N HN 0.212 nan 8.380 nan 0.000 0.455 242 P HA 0.140 nan 4.420 nan 0.000 0.271 242 P C -0.460 176.725 177.300 -0.192 0.000 1.216 242 P CA 0.040 63.078 63.100 -0.103 0.000 0.776 242 P CB 0.806 32.474 31.700 -0.054 0.000 0.881 243 L N 2.765 123.767 121.223 -0.367 0.000 2.287 243 L HA 0.486 4.827 4.340 0.001 0.000 0.287 243 L C 0.739 177.393 176.870 -0.360 0.000 1.022 243 L CA -0.177 54.480 54.840 -0.306 0.000 0.814 243 L CB 1.430 43.307 42.059 -0.303 0.000 1.217 243 L HN 0.525 nan 8.230 nan 0.000 0.420 244 S N 1.168 116.691 115.700 -0.295 0.000 2.638 244 S HA 0.498 4.969 4.470 0.001 0.000 0.274 244 S C 0.161 174.596 174.600 -0.276 0.000 1.157 244 S CA -0.722 57.316 58.200 -0.272 0.000 0.826 244 S CB 1.031 64.147 63.200 -0.139 0.000 1.139 244 S HN 0.388 nan 8.310 nan 0.000 0.474 245 F N 1.192 121.090 119.950 -0.086 0.000 2.661 245 F HA 0.065 4.593 4.527 0.001 0.000 0.298 245 F C 1.760 177.524 175.800 -0.060 0.000 1.137 245 F CA 0.472 58.426 58.000 -0.077 0.000 1.454 245 F CB -0.191 38.758 39.000 -0.085 0.000 1.103 245 F HN 0.561 nan 8.300 nan 0.000 0.577 246 D N 0.357 120.803 120.400 0.076 0.000 2.170 246 D HA -0.210 4.430 4.640 0.001 0.000 0.193 246 D C 1.263 177.574 176.300 0.018 0.000 1.004 246 D CA 1.412 55.431 54.000 0.033 0.000 0.860 246 D CB -0.298 40.503 40.800 0.002 0.000 0.931 246 D HN 0.309 nan 8.370 nan 0.000 0.448 247 N N -0.349 118.345 118.700 -0.010 0.000 2.200 247 N HA 0.153 4.894 4.740 0.001 0.000 0.224 247 N C -0.097 175.401 175.510 -0.021 0.000 1.179 247 N CA -0.066 52.975 53.050 -0.015 0.000 0.877 247 N CB 1.545 40.016 38.487 -0.028 0.000 1.072 247 N HN 0.211 nan 8.380 nan 0.000 0.519 248 I N 1.260 121.821 120.570 -0.014 0.000 2.312 248 I HA 0.124 4.295 4.170 0.001 0.000 0.290 248 I C 1.128 177.284 176.117 0.064 0.000 1.008 248 I CA -0.134 61.157 61.300 -0.014 0.000 1.226 248 I CB 1.511 39.424 38.000 -0.146 0.000 1.371 248 I HN -0.016 nan 8.210 nan 0.000 0.468 249 T N -0.218 114.360 114.554 0.040 0.000 2.985 249 T HA 0.151 4.502 4.350 0.001 0.000 0.254 249 T C 0.551 175.274 174.700 0.037 0.000 1.021 249 T CA -0.255 61.869 62.100 0.040 0.000 0.957 249 T CB 0.408 69.291 68.868 0.026 0.000 1.047 249 T HN 0.406 nan 8.240 nan 0.000 0.511 250 S N 0.724 116.447 115.700 0.039 0.000 2.542 250 S HA 0.596 5.067 4.470 0.001 0.000 0.293 250 S C -0.375 174.254 174.600 0.048 0.000 1.089 250 S CA -0.611 57.612 58.200 0.040 0.000 0.961 250 S CB 1.643 64.866 63.200 0.038 0.000 1.062 250 S HN 0.227 nan 8.310 nan 0.000 0.483 251 V N 6.377 126.320 119.914 0.047 0.000 2.539 251 V HA 0.142 4.263 4.120 0.001 0.000 0.300 251 V C -1.614 174.538 176.094 0.098 0.000 1.019 251 V CA -0.412 61.919 62.300 0.053 0.000 1.160 251 V CB -0.533 31.334 31.823 0.075 0.000 0.901 251 V HN 0.719 nan 8.190 nan 0.000 0.481 252 P HA 0.364 nan 4.420 nan 0.000 0.280 252 P C -0.496 176.982 177.300 0.295 0.000 1.272 252 P CA -0.950 62.252 63.100 0.170 0.000 0.819 252 P CB 0.880 32.641 31.700 0.102 0.000 1.122 253 R N -0.380 120.274 120.500 0.257 0.000 2.442 253 R HA 0.363 4.703 4.340 0.001 0.000 0.291 253 R C 1.283 177.805 176.300 0.370 0.000 1.069 253 R CA 0.224 56.466 56.100 0.236 0.000 1.022 253 R CB 0.020 30.409 30.300 0.148 0.000 0.976 253 R HN 0.661 nan 8.270 nan 0.000 0.443 254 G N 1.578 110.525 108.800 0.247 0.000 3.575 254 G HA2 0.304 4.265 3.960 0.001 0.000 0.273 254 G HA3 0.304 4.265 3.960 0.001 0.000 0.273 254 G C 0.812 175.835 174.900 0.204 0.000 1.053 254 G CA 0.263 45.535 45.100 0.286 0.000 0.803 254 G HN 0.936 nan 8.290 nan 0.000 0.528 255 G N 1.446 110.051 108.800 -0.324 0.000 2.591 255 G HA2 -0.358 3.603 3.960 0.001 0.000 0.298 255 G HA3 -0.358 3.603 3.960 0.001 0.000 0.298 255 G C 0.636 175.049 174.900 -0.811 0.000 1.195 255 G CA 0.341 44.602 45.100 -1.398 0.000 0.989 255 G HN 0.355 nan 8.290 nan 0.000 0.551 256 N N 2.429 120.559 118.700 -0.949 0.000 2.320 256 N HA 0.506 5.247 4.740 0.001 0.000 0.237 256 N C 0.908 176.269 175.510 -0.247 0.000 1.129 256 N CA 0.747 53.374 53.050 -0.704 0.000 0.854 256 N CB 0.307 38.228 38.487 -0.943 0.000 1.083 256 N HN 0.920 nan 8.380 nan 0.000 0.504 257 A N -0.363 122.502 122.820 0.075 0.000 2.409 257 A HA 0.417 4.738 4.320 0.001 0.000 0.246 257 A C 1.615 179.275 177.584 0.127 0.000 1.099 257 A CA 0.384 52.561 52.037 0.234 0.000 0.789 257 A CB -0.059 18.986 19.000 0.075 0.000 1.053 257 A HN 0.284 nan 8.150 nan 0.000 0.503 258 G N -0.885 108.007 108.800 0.154 0.000 2.484 258 G HA2 0.382 4.343 3.960 0.001 0.000 0.218 258 G HA3 0.382 4.343 3.960 0.001 0.000 0.218 258 G C 1.303 176.220 174.900 0.028 0.000 1.130 258 G CA 1.073 46.268 45.100 0.159 0.000 0.784 258 G HN 2.209 nan 8.290 nan 0.000 0.543 259 G N -0.118 108.662 108.800 -0.033 0.000 2.596 259 G HA2 -0.146 3.814 3.960 0.001 0.000 0.304 259 G HA3 -0.146 3.814 3.960 0.001 0.000 0.304 259 G C 1.403 176.309 174.900 0.010 0.000 1.189 259 G CA 0.679 45.762 45.100 -0.028 0.000 0.986 259 G HN 1.184 nan 8.290 nan 0.000 0.548 260 G N 1.253 110.056 108.800 0.004 0.000 2.650 260 G HA2 0.493 4.454 3.960 0.001 0.000 0.214 260 G HA3 0.493 4.454 3.960 0.001 0.000 0.214 260 G C 1.012 175.917 174.900 0.008 0.000 1.136 260 G CA 1.313 46.419 45.100 0.009 0.000 0.789 260 G HN 1.485 nan 8.290 nan 0.000 0.536 261 G N -0.769 108.038 108.800 0.012 0.000 2.543 261 G HA2 0.463 4.424 3.960 0.001 0.000 0.290 261 G HA3 0.463 4.424 3.960 0.001 0.000 0.290 261 G C 0.067 175.004 174.900 0.060 0.000 1.310 261 G CA -0.574 44.545 45.100 0.033 0.000 1.025 261 G HN 0.314 nan 8.290 nan 0.000 0.502 262 Q N -0.270 119.579 119.800 0.081 0.000 2.471 262 Q HA 0.167 4.508 4.340 0.001 0.000 0.223 262 Q C -2.169 173.948 176.000 0.195 0.000 1.045 262 Q CA -1.228 54.638 55.803 0.105 0.000 0.956 262 Q CB 0.155 28.951 28.738 0.095 0.000 1.249 262 Q HN 0.215 nan 8.270 nan 0.000 0.549 263 P HA 0.029 nan 4.420 nan 0.000 0.264 263 P C -0.678 176.898 177.300 0.460 0.000 1.183 263 P CA 0.408 63.715 63.100 0.346 0.000 0.763 263 P CB 0.411 32.333 31.700 0.369 0.000 0.807 264 G N 1.314 110.381 108.800 0.445 0.000 2.649 264 G HA2 0.572 4.533 3.960 0.001 0.000 0.290 264 G HA3 0.572 4.533 3.960 0.001 0.000 0.290 264 G C -2.453 172.266 174.900 -0.302 0.000 1.426 264 G CA -0.473 44.756 45.100 0.216 0.000 0.794 264 G HN 0.500 nan 8.290 nan 0.000 0.483 265 W N 0.342 120.890 121.300 -1.255 0.000 3.137 265 W HA 0.549 5.209 4.660 0.001 0.000 0.324 265 W C -1.528 174.502 176.519 -0.816 0.000 1.253 265 W CA -0.966 55.744 57.345 -1.058 0.000 1.183 265 W CB 2.374 30.937 29.460 -1.495 0.000 1.424 265 W HN 0.547 nan 8.180 nan 0.000 0.566 266 M N 4.208 123.367 119.600 -0.736 0.000 2.108 266 M HA 0.399 4.879 4.480 0.001 0.000 0.347 266 M C -1.308 174.995 176.300 0.004 0.000 1.326 266 M CA 0.321 55.460 55.300 -0.269 0.000 1.126 266 M CB 0.042 32.475 32.600 -0.278 0.000 1.606 266 M HN 0.178 nan 8.290 nan 0.000 0.462 267 L N 4.877 126.225 121.223 0.209 0.000 2.329 267 L HA 0.528 4.869 4.340 0.001 0.000 0.279 267 L C -0.001 177.017 176.870 0.245 0.000 1.014 267 L CA -1.107 53.900 54.840 0.279 0.000 0.814 267 L CB 1.700 43.953 42.059 0.323 0.000 1.257 267 L HN 0.585 nan 8.230 nan 0.000 0.424 268 K N 1.189 121.588 120.400 -0.001 0.000 2.382 268 K HA 0.310 4.631 4.320 0.001 0.000 0.275 268 K C -0.672 175.889 176.600 -0.065 0.000 1.009 268 K CA -0.311 55.740 56.287 -0.392 0.000 0.970 268 K CB 0.729 32.794 32.500 -0.725 0.000 0.934 268 K HN 0.532 nan 8.250 nan 0.000 0.479 269 C N 1.328 120.577 119.300 -0.084 0.000 2.710 269 C HA 0.331 4.791 4.460 0.001 0.000 0.367 269 C C 0.055 175.132 174.990 0.145 0.000 1.315 269 C CA -1.079 57.986 59.018 0.079 0.000 1.764 269 C CB 1.143 28.889 27.740 0.010 0.000 2.182 269 C HN 0.798 nan 8.230 nan 0.000 0.491 270 K N 0.440 120.918 120.400 0.130 0.000 2.504 270 K HA 0.307 4.628 4.320 0.001 0.000 0.278 270 K C 1.047 177.681 176.600 0.056 0.000 1.025 270 K CA 1.569 57.919 56.287 0.106 0.000 1.093 270 K CB -0.382 32.157 32.500 0.065 0.000 0.873 270 K HN 1.210 nan 8.250 nan 0.000 0.483 271 G N 4.737 113.531 108.800 -0.011 0.000 2.157 271 G HA2 -0.201 3.759 3.960 0.001 0.000 0.248 271 G HA3 -0.201 3.759 3.960 0.001 0.000 0.248 271 G C 0.593 175.422 174.900 -0.118 0.000 0.979 271 G CA 0.365 45.407 45.100 -0.097 0.000 0.650 271 G HN 0.934 nan 8.290 nan 0.000 0.529 272 W N 0.748 121.978 121.300 -0.116 0.000 2.387 272 W HA -0.016 4.644 4.660 0.001 0.000 0.272 272 W C 1.105 177.603 176.519 -0.036 0.000 1.224 272 W CA 1.374 58.620 57.345 -0.165 0.000 1.210 272 W CB -0.571 28.665 29.460 -0.373 0.000 1.125 272 W HN 0.419 nan 8.180 nan 0.000 0.572 273 E N 0.958 120.611 120.200 -0.911 0.000 2.150 273 E HA -0.137 4.213 4.350 0.001 0.000 0.193 273 E C 2.315 178.737 176.600 -0.297 0.000 0.985 273 E CA 2.888 58.784 56.400 -0.840 0.000 0.814 273 E CB -0.477 28.646 29.700 -0.963 0.000 0.752 273 E HN 0.387 nan 8.360 nan 0.000 0.466 274 T N -2.794 111.635 114.554 -0.208 0.000 2.971 274 T HA 0.070 4.420 4.350 0.001 0.000 0.252 274 T C 0.298 174.989 174.700 -0.017 0.000 1.022 274 T CA -0.240 61.805 62.100 -0.091 0.000 0.980 274 T CB 0.323 69.135 68.868 -0.093 0.000 1.044 274 T HN -0.134 nan 8.240 nan 0.000 0.501 275 D N 1.077 121.484 120.400 0.012 0.000 2.441 275 D HA 0.638 5.279 4.640 0.001 0.000 0.231 275 D C 1.130 177.524 176.300 0.158 0.000 1.073 275 D CA -0.424 53.618 54.000 0.070 0.000 0.850 275 D CB 1.576 42.410 40.800 0.057 0.000 1.062 275 D HN 0.134 nan 8.370 nan 0.000 0.524 276 A N 3.619 126.536 122.820 0.161 0.000 2.024 276 A HA -0.134 4.187 4.320 0.001 0.000 0.220 276 A C 1.117 178.877 177.584 0.293 0.000 1.164 276 A CA 1.163 53.331 52.037 0.219 0.000 0.643 276 A CB 0.095 19.169 19.000 0.123 0.000 0.806 276 A HN 0.509 nan 8.150 nan 0.000 0.451 277 D N -0.994 119.549 120.400 0.238 0.000 2.424 277 D HA 0.133 4.774 4.640 0.001 0.000 0.220 277 D C 0.150 176.613 176.300 0.273 0.000 1.150 277 D CA 0.168 54.311 54.000 0.238 0.000 0.831 277 D CB 0.239 41.112 40.800 0.122 0.000 0.981 277 D HN 0.179 nan 8.370 nan 0.000 0.500 278 S N 0.719 116.577 115.700 0.264 0.000 4.139 278 S HA 0.174 4.645 4.470 0.001 0.000 0.215 278 S C -0.918 173.639 174.600 -0.073 0.000 1.390 278 S CA -0.217 58.026 58.200 0.072 0.000 0.885 278 S CB -0.690 62.526 63.200 0.026 0.000 1.560 278 S HN 0.032 nan 8.310 nan 0.000 0.449 279 Y N 0.102 120.416 120.300 0.024 0.000 2.588 279 Y HA 0.536 5.086 4.550 0.001 0.000 0.343 279 Y C -0.084 175.814 175.900 -0.003 0.000 1.065 279 Y CA -1.201 56.920 58.100 0.035 0.000 1.038 279 Y CB 1.664 40.146 38.460 0.037 0.000 1.297 279 Y HN 0.197 nan 8.280 nan 0.000 0.467 280 V N -1.190 118.840 119.914 0.193 0.000 2.919 280 V HA 0.575 4.696 4.120 0.001 0.000 0.316 280 V C -1.611 174.620 176.094 0.229 0.000 1.077 280 V CA -1.171 61.218 62.300 0.149 0.000 0.977 280 V CB 2.022 33.881 31.823 0.060 0.000 1.039 280 V HN 0.706 nan 8.190 nan 0.000 0.441 281 Y N 2.830 123.197 120.300 0.112 0.000 2.326 281 Y HA 0.660 5.210 4.550 0.001 0.000 0.337 281 Y C -0.868 175.162 175.900 0.216 0.000 1.023 281 Y CA -0.946 57.226 58.100 0.120 0.000 1.143 281 Y CB 1.503 39.982 38.460 0.032 0.000 1.183 281 Y HN 0.756 nan 8.280 nan 0.000 0.485 282 F N 4.847 124.633 119.950 -0.274 0.000 2.477 282 F HA 0.474 5.001 4.527 0.001 0.000 0.335 282 F C -0.568 175.265 175.800 0.054 0.000 1.130 282 F CA -0.438 57.580 58.000 0.030 0.000 0.948 282 F CB 1.214 40.348 39.000 0.222 0.000 1.154 282 F HN 0.363 nan 8.300 nan 0.000 0.439 283 T N 7.303 121.786 114.554 -0.119 0.000 2.795 283 T HA 0.476 4.826 4.350 0.001 0.000 0.282 283 T C 0.089 174.834 174.700 0.076 0.000 0.980 283 T CA -0.383 61.783 62.100 0.110 0.000 1.012 283 T CB 0.943 69.885 68.868 0.123 0.000 0.936 283 T HN 0.390 nan 8.240 nan 0.000 0.457 284 I N 3.237 123.999 120.570 0.320 0.000 2.268 284 I HA 0.362 4.532 4.170 0.001 0.000 0.290 284 I C 0.822 177.069 176.117 0.217 0.000 1.125 284 I CA -0.662 60.809 61.300 0.284 0.000 1.236 284 I CB 0.185 38.345 38.000 0.266 0.000 1.469 284 I HN 0.627 nan 8.210 nan 0.000 0.512 285 A N 3.964 126.878 122.820 0.157 0.000 2.388 285 A HA 0.562 4.882 4.320 0.001 0.000 0.257 285 A C 1.442 179.117 177.584 0.151 0.000 1.095 285 A CA 0.219 52.332 52.037 0.126 0.000 0.791 285 A CB 0.791 19.841 19.000 0.082 0.000 1.029 285 A HN 0.818 nan 8.150 nan 0.000 0.489 286 A N 2.464 125.352 122.820 0.113 0.000 1.883 286 A HA -0.206 4.114 4.320 0.001 0.000 0.217 286 A C 1.687 179.351 177.584 0.133 0.000 1.186 286 A CA 2.065 54.168 52.037 0.109 0.000 0.624 286 A CB -0.707 18.324 19.000 0.052 0.000 0.822 286 A HN 1.066 nan 8.150 nan 0.000 0.444 287 N N -0.834 117.930 118.700 0.107 0.000 2.461 287 N HA 0.025 4.765 4.740 0.001 0.000 0.188 287 N C 0.795 176.385 175.510 0.132 0.000 1.134 287 N CA 0.680 53.794 53.050 0.107 0.000 0.878 287 N CB -0.275 38.254 38.487 0.069 0.000 0.972 287 N HN 0.528 nan 8.380 nan 0.000 0.456 288 M N -1.358 118.340 119.600 0.163 0.000 2.484 288 M HA 0.154 4.635 4.480 0.001 0.000 0.307 288 M C 0.823 177.252 176.300 0.215 0.000 1.149 288 M CA -0.422 54.971 55.300 0.155 0.000 0.972 288 M CB 0.175 32.840 32.600 0.108 0.000 1.400 288 M HN 0.230 nan 8.290 nan 0.000 0.508 289 W N 3.120 124.459 121.300 0.066 0.000 2.358 289 W HA -0.074 4.586 4.660 0.001 0.000 0.303 289 W C -1.318 175.252 176.519 0.086 0.000 1.208 289 W CA 1.729 59.120 57.345 0.078 0.000 1.274 289 W CB -1.043 28.461 29.460 0.073 0.000 1.138 289 W HN 0.127 nan 8.180 nan 0.000 0.515 290 P HA -0.231 nan 4.420 nan 0.000 0.216 290 P C 1.259 178.509 177.300 -0.084 0.000 1.153 290 P CA 2.402 65.475 63.100 -0.046 0.000 0.858 290 P CB -0.216 31.521 31.700 0.061 0.000 0.789 291 Q N -0.875 118.922 119.800 -0.005 0.000 2.084 291 Q HA -0.095 4.246 4.340 0.001 0.000 0.202 291 Q C 2.185 178.098 176.000 -0.145 0.000 0.978 291 Q CA 1.229 57.060 55.803 0.047 0.000 0.844 291 Q CB -0.913 27.905 28.738 0.134 0.000 0.898 291 Q HN 0.260 nan 8.270 nan 0.000 0.426 292 I N -0.377 120.074 120.570 -0.198 0.000 2.226 292 I HA -0.341 3.829 4.170 0.001 0.000 0.245 292 I C 1.978 177.828 176.117 -0.444 0.000 1.100 292 I CA 0.769 61.898 61.300 -0.285 0.000 1.374 292 I CB -0.274 37.621 38.000 -0.175 0.000 1.057 292 I HN 0.308 nan 8.210 nan 0.000 0.413 293 C N 0.586 119.541 119.300 -0.575 0.000 2.413 293 C HA -0.173 4.287 4.460 0.001 0.000 0.277 293 C C 2.444 177.262 174.990 -0.288 0.000 1.265 293 C CA 0.769 59.502 59.018 -0.476 0.000 1.752 293 C CB -1.057 26.400 27.740 -0.471 0.000 1.998 293 C HN 0.531 nan 8.230 nan 0.000 0.489 294 D N 0.192 120.466 120.400 -0.210 0.000 2.084 294 D HA -0.165 4.476 4.640 0.001 0.000 0.194 294 D C 2.029 178.227 176.300 -0.170 0.000 0.990 294 D CA 1.168 55.122 54.000 -0.076 0.000 0.826 294 D CB -0.596 40.292 40.800 0.147 0.000 0.971 294 D HN 0.482 nan 8.370 nan 0.000 0.453 295 M N 0.746 120.002 119.600 -0.574 0.000 2.082 295 M HA -0.161 4.320 4.480 0.001 0.000 0.258 295 M C 1.854 177.945 176.300 -0.349 0.000 1.069 295 M CA 1.604 56.407 55.300 -0.827 0.000 1.102 295 M CB -0.043 31.817 32.600 -1.234 0.000 1.336 295 M HN 0.073 nan 8.290 nan 0.000 0.404 296 I N -3.488 116.901 120.570 -0.301 0.000 3.875 296 I HA 0.187 4.358 4.170 0.001 0.000 0.329 296 I C -0.131 175.917 176.117 -0.114 0.000 1.295 296 I CA -0.035 61.155 61.300 -0.183 0.000 1.129 296 I CB -0.279 37.611 38.000 -0.182 0.000 1.008 296 I HN 0.225 nan 8.210 nan 0.000 0.413 297 D N 2.740 123.070 120.400 -0.118 0.000 2.716 297 D HA -0.164 4.477 4.640 0.001 0.000 0.239 297 D C -0.255 175.910 176.300 -0.224 0.000 1.125 297 D CA 0.730 54.665 54.000 -0.109 0.000 0.681 297 D CB -0.460 40.315 40.800 -0.041 0.000 1.070 297 D HN 0.419 nan 8.370 nan 0.000 0.432 298 K N 0.293 120.495 120.400 -0.331 0.000 2.800 298 K HA 0.220 4.541 4.320 0.001 0.000 0.185 298 K C -1.753 174.641 176.600 -0.343 0.000 1.082 298 K CA -1.315 54.637 56.287 -0.559 0.000 0.978 298 K CB 1.421 33.265 32.500 -1.093 0.000 1.364 298 K HN 0.199 nan 8.250 nan 0.000 0.592 299 P HA -0.213 nan 4.420 nan 0.000 0.218 299 P C 1.072 178.340 177.300 -0.053 0.000 1.149 299 P CA 1.213 64.250 63.100 -0.105 0.000 0.817 299 P CB 0.319 31.975 31.700 -0.074 0.000 0.785 300 E N -0.909 119.234 120.200 -0.096 0.000 2.267 300 E HA -0.196 4.155 4.350 0.001 0.000 0.197 300 E C 1.421 178.122 176.600 0.168 0.000 0.998 300 E CA 1.055 57.453 56.400 -0.003 0.000 0.830 300 E CB -1.153 28.512 29.700 -0.058 0.000 0.751 300 E HN 0.287 nan 8.360 nan 0.000 0.491 301 W N 1.827 123.048 121.300 -0.132 0.000 2.770 301 W HA 0.200 4.860 4.660 0.001 0.000 0.256 301 W C 1.977 178.624 176.519 0.213 0.000 1.291 301 W CA -0.178 57.137 57.345 -0.050 0.000 1.396 301 W CB -0.093 29.269 29.460 -0.162 0.000 1.114 301 W HN 0.091 nan 8.180 nan 0.000 0.637 302 K N -0.110 120.457 120.400 0.277 0.000 2.057 302 K HA -0.132 4.189 4.320 0.001 0.000 0.207 302 K C 0.922 177.676 176.600 0.257 0.000 1.049 302 K CA 1.502 57.935 56.287 0.244 0.000 0.931 302 K CB -0.180 32.382 32.500 0.104 0.000 0.714 302 K HN -0.013 nan 8.250 nan 0.000 0.440 303 D N 0.465 120.980 120.400 0.192 0.000 2.349 303 D HA -0.023 4.618 4.640 0.001 0.000 0.214 303 D C -0.101 176.287 176.300 0.146 0.000 1.063 303 D CA 0.323 54.410 54.000 0.145 0.000 0.847 303 D CB 0.122 40.981 40.800 0.099 0.000 0.933 303 D HN 0.058 nan 8.370 nan 0.000 0.513 304 D N 1.077 121.597 120.400 0.201 0.000 2.325 304 D HA 0.077 4.718 4.640 0.001 0.000 0.251 304 D C -1.712 174.670 176.300 0.137 0.000 1.196 304 D CA -2.032 52.083 54.000 0.191 0.000 0.866 304 D CB 2.033 43.011 40.800 0.297 0.000 1.101 304 D HN -0.105 nan 8.370 nan 0.000 0.476 305 P HA -0.014 nan 4.420 nan 0.000 0.230 305 P C 0.729 177.961 177.300 -0.113 0.000 1.158 305 P CA 0.520 63.607 63.100 -0.022 0.000 0.769 305 P CB 0.244 31.929 31.700 -0.025 0.000 0.807 306 A N -2.164 120.584 122.820 -0.119 0.000 2.119 306 A HA -0.105 4.215 4.320 0.001 0.000 0.217 306 A C 1.310 178.490 177.584 -0.673 0.000 1.153 306 A CA 1.233 53.056 52.037 -0.357 0.000 0.692 306 A CB -1.082 17.712 19.000 -0.343 0.000 0.799 306 A HN 0.197 nan 8.150 nan 0.000 0.458 307 Y N -1.159 118.945 120.300 -0.328 0.000 2.452 307 Y HA 0.074 4.625 4.550 0.001 0.000 0.262 307 Y C 1.643 177.140 175.900 -0.671 0.000 1.089 307 Y CA 0.203 58.006 58.100 -0.495 0.000 1.262 307 Y CB 0.256 38.498 38.460 -0.362 0.000 1.236 307 Y HN 0.485 nan 8.280 nan 0.000 0.512 308 N N 0.471 119.045 118.700 -0.212 0.000 2.322 308 N HA 0.029 4.770 4.740 0.001 0.000 0.194 308 N C -0.054 175.305 175.510 -0.252 0.000 1.126 308 N CA 0.637 53.560 53.050 -0.211 0.000 0.845 308 N CB -0.295 38.301 38.487 0.182 0.000 0.976 308 N HN 0.188 nan 8.380 nan 0.000 0.475 309 T N -5.062 109.305 114.554 -0.312 0.000 2.901 309 T HA 0.353 4.703 4.350 0.001 0.000 0.293 309 T C 0.395 174.948 174.700 -0.246 0.000 1.084 309 T CA -0.952 61.030 62.100 -0.196 0.000 1.008 309 T CB 0.723 69.531 68.868 -0.101 0.000 1.170 309 T HN -0.065 nan 8.240 nan 0.000 0.509 310 F N 1.547 121.357 119.950 -0.234 0.000 2.126 310 F HA -0.027 4.500 4.527 0.001 0.000 0.299 310 F C 2.029 177.701 175.800 -0.212 0.000 1.096 310 F CA 1.813 59.685 58.000 -0.214 0.000 1.255 310 F CB -0.299 38.624 39.000 -0.130 0.000 0.997 310 F HN 0.699 nan 8.300 nan 0.000 0.479 311 E N 0.267 120.381 120.200 -0.143 0.000 2.072 311 E HA -0.048 4.303 4.350 0.001 0.000 0.191 311 E C 2.494 178.896 176.600 -0.330 0.000 0.985 311 E CA 1.239 57.510 56.400 -0.215 0.000 0.801 311 E CB -1.057 28.610 29.700 -0.055 0.000 0.750 311 E HN 0.506 nan 8.360 nan 0.000 0.452 312 G N 0.475 109.081 108.800 -0.322 0.000 2.408 312 G HA2 -0.263 3.698 3.960 0.001 0.000 0.217 312 G HA3 -0.263 3.698 3.960 0.001 0.000 0.217 312 G C 1.456 176.049 174.900 -0.511 0.000 1.150 312 G CA 0.370 45.245 45.100 -0.375 0.000 0.776 312 G HN 0.115 nan 8.290 nan 0.000 0.542 313 R N -0.083 120.062 120.500 -0.592 0.000 2.276 313 R HA 0.096 4.436 4.340 0.001 0.000 0.203 313 R C 2.439 178.387 176.300 -0.586 0.000 1.017 313 R CA 0.251 55.961 56.100 -0.649 0.000 1.010 313 R CB -0.124 29.762 30.300 -0.690 0.000 0.900 313 R HN 0.294 nan 8.270 nan 0.000 0.469 314 V N 2.442 121.996 119.914 -0.600 0.000 2.332 314 V HA -0.252 3.869 4.120 0.001 0.000 0.248 314 V C 1.749 177.626 176.094 -0.362 0.000 1.055 314 V CA 2.198 64.191 62.300 -0.513 0.000 1.038 314 V CB -0.525 31.015 31.823 -0.471 0.000 0.651 314 V HN 0.464 nan 8.190 nan 0.000 0.450 315 D N 0.692 120.890 120.400 -0.337 0.000 2.349 315 D HA -0.108 4.533 4.640 0.001 0.000 0.224 315 D C 1.196 177.330 176.300 -0.277 0.000 1.029 315 D CA 0.692 54.533 54.000 -0.264 0.000 0.879 315 D CB -0.250 40.413 40.800 -0.228 0.000 0.906 315 D HN 0.732 nan 8.370 nan 0.000 0.528 316 K N -1.197 118.993 120.400 -0.350 0.000 2.614 316 K HA 0.130 4.450 4.320 0.001 0.000 0.190 316 K C 1.072 177.458 176.600 -0.357 0.000 1.255 316 K CA -0.462 55.621 56.287 -0.339 0.000 1.099 316 K CB -0.438 31.811 32.500 -0.418 0.000 1.023 316 K HN -0.055 nan 8.250 nan 0.000 0.576 317 L N 1.255 122.245 121.223 -0.389 0.000 2.083 317 L HA 0.010 4.351 4.340 0.001 0.000 0.209 317 L C 1.889 178.561 176.870 -0.329 0.000 1.083 317 L CA 1.765 56.371 54.840 -0.390 0.000 0.752 317 L CB -0.256 41.609 42.059 -0.323 0.000 0.899 317 L HN 0.309 nan 8.230 nan 0.000 0.433 318 M N -1.255 118.111 119.600 -0.391 0.000 2.254 318 M HA -0.120 4.361 4.480 0.001 0.000 0.265 318 M C 1.797 177.985 176.300 -0.187 0.000 1.066 318 M CA 1.096 56.130 55.300 -0.443 0.000 1.123 318 M CB -1.358 30.572 32.600 -1.116 0.000 1.388 318 M HN 0.204 nan 8.290 nan 0.000 0.425 319 D N 0.788 121.103 120.400 -0.143 0.000 2.117 319 D HA -0.050 4.590 4.640 0.001 0.000 0.197 319 D C 2.143 178.467 176.300 0.041 0.000 0.987 319 D CA 1.042 55.032 54.000 -0.017 0.000 0.829 319 D CB -0.195 40.589 40.800 -0.027 0.000 0.961 319 D HN 0.333 nan 8.370 nan 0.000 0.460 320 I N -0.071 120.464 120.570 -0.059 0.000 2.179 320 I HA -0.265 3.906 4.170 0.001 0.000 0.242 320 I C 1.931 178.053 176.117 0.009 0.000 1.088 320 I CA 0.792 62.095 61.300 0.005 0.000 1.357 320 I CB -0.220 37.688 38.000 -0.152 0.000 1.051 320 I HN -0.088 nan 8.210 nan 0.000 0.409 321 F N 1.159 121.101 119.950 -0.013 0.000 2.171 321 F HA -0.240 4.288 4.527 0.001 0.000 0.300 321 F C 2.989 178.751 175.800 -0.065 0.000 1.090 321 F CA 1.664 59.628 58.000 -0.059 0.000 1.293 321 F CB -1.009 37.905 39.000 -0.143 0.000 1.013 321 F HN 0.153 nan 8.300 nan 0.000 0.486 322 S N -0.453 115.338 115.700 0.152 0.000 2.402 322 S HA -0.228 4.243 4.470 0.001 0.000 0.229 322 S C 2.027 176.673 174.600 0.077 0.000 1.021 322 S CA 0.766 59.028 58.200 0.104 0.000 0.974 322 S CB -1.293 61.978 63.200 0.119 0.000 0.800 322 S HN 0.317 nan 8.310 nan 0.000 0.484 323 F N 2.385 122.335 119.950 -0.000 0.000 2.113 323 F HA 0.153 4.681 4.527 0.001 0.000 0.297 323 F C 1.893 177.603 175.800 -0.151 0.000 1.103 323 F CA 0.944 58.932 58.000 -0.019 0.000 1.248 323 F CB -0.426 38.636 39.000 0.103 0.000 0.999 323 F HN 0.147 nan 8.300 nan 0.000 0.475 324 I N 0.351 120.781 120.570 -0.233 0.000 2.208 324 I HA -0.325 3.846 4.170 0.001 0.000 0.245 324 I C 2.480 178.013 176.117 -0.972 0.000 1.097 324 I CA 1.939 62.875 61.300 -0.608 0.000 1.363 324 I CB -0.684 36.960 38.000 -0.594 0.000 1.051 324 I HN 0.242 nan 8.210 nan 0.000 0.413 325 E N 0.592 120.405 120.200 -0.646 0.000 2.118 325 E HA -0.243 4.108 4.350 0.001 0.000 0.195 325 E C 1.997 178.317 176.600 -0.468 0.000 0.992 325 E CA 1.817 57.876 56.400 -0.570 0.000 0.804 325 E CB 0.035 29.626 29.700 -0.181 0.000 0.741 325 E HN 0.412 nan 8.360 nan 0.000 0.458 326 T N 0.975 115.286 114.554 -0.404 0.000 2.849 326 T HA -0.118 4.233 4.350 0.001 0.000 0.270 326 T C 1.426 175.953 174.700 -0.289 0.000 1.066 326 T CA 1.062 62.980 62.100 -0.302 0.000 1.130 326 T CB -0.012 68.651 68.868 -0.342 0.000 0.864 326 T HN 0.084 nan 8.240 nan 0.000 0.481 327 K N 0.557 120.694 120.400 -0.439 0.000 2.486 327 K HA 0.106 4.426 4.320 0.001 0.000 0.194 327 K C 0.824 177.573 176.600 0.248 0.000 1.033 327 K CA 0.529 56.730 56.287 -0.144 0.000 1.004 327 K CB -0.116 32.301 32.500 -0.138 0.000 0.798 327 K HN 0.423 nan 8.250 nan 0.000 0.495 328 F N -0.066 119.913 119.950 0.047 0.000 2.695 328 F HA 0.314 4.842 4.527 0.001 0.000 0.303 328 F C 1.924 177.756 175.800 0.053 0.000 1.091 328 F CA -1.126 56.925 58.000 0.086 0.000 1.300 328 F CB -0.904 38.129 39.000 0.055 0.000 1.071 328 F HN -0.129 nan 8.300 nan 0.000 0.578 329 A N -0.057 122.870 122.820 0.178 0.000 2.024 329 A HA -0.170 4.151 4.320 0.001 0.000 0.220 329 A C 1.462 179.118 177.584 0.120 0.000 1.164 329 A CA 2.077 54.198 52.037 0.140 0.000 0.643 329 A CB -0.464 18.589 19.000 0.088 0.000 0.806 329 A HN 0.184 nan 8.150 nan 0.000 0.451 330 D N -0.737 119.720 120.400 0.095 0.000 2.440 330 D HA 0.184 4.825 4.640 0.001 0.000 0.216 330 D C -0.172 176.157 176.300 0.048 0.000 1.150 330 D CA 0.279 54.312 54.000 0.054 0.000 0.832 330 D CB 0.388 41.201 40.800 0.020 0.000 0.992 330 D HN 0.438 nan 8.370 nan 0.000 0.502 331 K N 1.257 121.707 120.400 0.083 0.000 2.316 331 K HA 0.259 4.580 4.320 0.001 0.000 0.251 331 K C -0.516 176.120 176.600 0.059 0.000 0.934 331 K CA -0.878 55.446 56.287 0.062 0.000 0.802 331 K CB 2.281 34.826 32.500 0.075 0.000 1.171 331 K HN -0.097 nan 8.250 nan 0.000 0.426 332 D N 0.882 121.311 120.400 0.047 0.000 2.398 332 D HA -0.024 4.617 4.640 0.001 0.000 0.247 332 D C 0.981 177.263 176.300 -0.031 0.000 1.227 332 D CA -0.393 53.626 54.000 0.031 0.000 0.980 332 D CB 0.746 41.594 40.800 0.080 0.000 1.106 332 D HN 0.518 nan 8.370 nan 0.000 0.493 333 K N -0.229 120.082 120.400 -0.147 0.000 2.147 333 K HA -0.150 4.170 4.320 0.001 0.000 0.205 333 K C 1.708 178.130 176.600 -0.297 0.000 1.049 333 K CA 1.092 57.211 56.287 -0.281 0.000 0.936 333 K CB -0.529 31.726 32.500 -0.409 0.000 0.722 333 K HN 0.453 nan 8.250 nan 0.000 0.446 334 F N 2.216 122.185 119.950 0.031 0.000 2.234 334 F HA 0.018 4.546 4.527 0.001 0.000 0.296 334 F C 2.272 178.096 175.800 0.040 0.000 1.089 334 F CA 0.921 58.942 58.000 0.035 0.000 1.343 334 F CB -0.105 38.915 39.000 0.033 0.000 1.040 334 F HN 0.033 nan 8.300 nan 0.000 0.498 335 E N 0.263 120.577 120.200 0.190 0.000 2.110 335 E HA -0.158 4.193 4.350 0.001 0.000 0.193 335 E C 2.305 178.990 176.600 0.141 0.000 0.988 335 E CA 1.370 57.849 56.400 0.131 0.000 0.804 335 E CB -0.291 29.456 29.700 0.079 0.000 0.745 335 E HN 0.191 nan 8.360 nan 0.000 0.458 336 V N 1.047 120.993 119.914 0.053 0.000 2.358 336 V HA -0.229 3.892 4.120 0.001 0.000 0.246 336 V C 2.261 178.377 176.094 0.038 0.000 1.047 336 V CA 2.087 64.370 62.300 -0.028 0.000 1.035 336 V CB -0.661 30.872 31.823 -0.484 0.000 0.658 336 V HN 0.327 nan 8.190 nan 0.000 0.452 337 T N -0.696 113.880 114.554 0.037 0.000 2.788 337 T HA -0.196 4.154 4.350 0.001 0.000 0.268 337 T C 1.850 176.636 174.700 0.143 0.000 1.044 337 T CA 1.485 63.635 62.100 0.083 0.000 1.139 337 T CB -0.190 68.734 68.868 0.094 0.000 0.867 337 T HN 0.524 nan 8.240 nan 0.000 0.454 338 E N -0.419 119.889 120.200 0.179 0.000 2.051 338 E HA -0.142 4.209 4.350 0.001 0.000 0.192 338 E C 1.989 178.752 176.600 0.273 0.000 0.991 338 E CA 0.966 57.480 56.400 0.190 0.000 0.799 338 E CB -0.155 29.646 29.700 0.167 0.000 0.748 338 E HN 0.526 nan 8.360 nan 0.000 0.449 339 W N 1.533 122.889 121.300 0.092 0.000 2.333 339 W HA -0.189 4.472 4.660 0.001 0.000 0.316 339 W C 2.299 178.966 176.519 0.247 0.000 1.215 339 W CA 2.031 59.468 57.345 0.153 0.000 1.278 339 W CB -0.881 28.653 29.460 0.123 0.000 1.154 339 W HN 0.038 nan 8.180 nan 0.000 0.486 340 A N 0.543 123.485 122.820 0.203 0.000 1.908 340 A HA -0.046 4.275 4.320 0.001 0.000 0.218 340 A C 2.193 179.873 177.584 0.160 0.000 1.181 340 A CA 2.958 55.058 52.037 0.104 0.000 0.627 340 A CB -1.489 17.554 19.000 0.071 0.000 0.818 340 A HN 0.401 nan 8.150 nan 0.000 0.445 341 A N -0.622 122.286 122.820 0.147 0.000 1.940 341 A HA -0.262 4.058 4.320 0.001 0.000 0.219 341 A C 2.069 179.716 177.584 0.105 0.000 1.176 341 A CA 1.721 53.825 52.037 0.110 0.000 0.631 341 A CB -0.644 18.415 19.000 0.099 0.000 0.814 341 A HN 0.682 nan 8.150 nan 0.000 0.446 342 Q N -1.849 118.031 119.800 0.134 0.000 2.197 342 Q HA -0.225 4.116 4.340 0.001 0.000 0.207 342 Q C 1.389 177.318 176.000 -0.118 0.000 0.984 342 Q CA 1.914 57.725 55.803 0.015 0.000 0.869 342 Q CB -0.296 28.454 28.738 0.020 0.000 0.906 342 Q HN 0.909 nan 8.270 nan 0.000 0.426 343 Y N -1.178 119.137 120.300 0.025 0.000 2.482 343 Y HA 0.176 4.727 4.550 0.001 0.000 0.270 343 Y C 1.517 177.415 175.900 -0.003 0.000 1.152 343 Y CA 0.379 58.481 58.100 0.002 0.000 1.292 343 Y CB 0.746 39.186 38.460 -0.033 0.000 1.070 343 Y HN 0.212 nan 8.280 nan 0.000 0.528 344 G N 1.086 109.952 108.800 0.111 0.000 2.143 344 G HA2 -0.313 3.647 3.960 0.001 0.000 0.248 344 G HA3 -0.313 3.647 3.960 0.001 0.000 0.248 344 G C 0.013 174.939 174.900 0.045 0.000 0.991 344 G CA 0.029 45.168 45.100 0.064 0.000 0.689 344 G HN 0.315 nan 8.290 nan 0.000 0.522 345 I N 1.871 122.463 120.570 0.036 0.000 2.416 345 I HA 0.271 4.441 4.170 0.001 0.000 0.288 345 I C -1.736 174.315 176.117 -0.110 0.000 1.051 345 I CA -2.212 59.046 61.300 -0.070 0.000 1.375 345 I CB 1.086 38.989 38.000 -0.162 0.000 1.407 345 I HN -0.136 nan 8.210 nan 0.000 0.516 346 P HA 0.031 nan 4.420 nan 0.000 0.262 346 P C -0.819 176.404 177.300 -0.128 0.000 1.199 346 P CA -0.071 62.987 63.100 -0.069 0.000 0.763 346 P CB 0.373 32.061 31.700 -0.021 0.000 0.790 347 C N 3.525 122.802 119.300 -0.038 0.000 3.199 347 C HA 0.786 5.247 4.460 0.001 0.000 0.392 347 C C -0.582 174.448 174.990 0.066 0.000 1.050 347 C CA 0.159 59.183 59.018 0.009 0.000 1.222 347 C CB 0.929 28.649 27.740 -0.033 0.000 1.595 347 C HN 0.739 nan 8.230 nan 0.000 0.560 348 G N 4.824 113.687 108.800 0.105 0.000 2.677 348 G HA2 0.815 4.776 3.960 0.001 0.000 0.291 348 G HA3 0.815 4.776 3.960 0.001 0.000 0.291 348 G C -3.461 171.480 174.900 0.068 0.000 1.435 348 G CA -0.756 44.393 45.100 0.081 0.000 0.826 348 G HN 0.630 nan 8.290 nan 0.000 0.491 349 P HA 0.349 nan 4.420 nan 0.000 0.277 349 P C -0.106 177.192 177.300 -0.004 0.000 1.240 349 P CA -0.378 62.679 63.100 -0.071 0.000 0.798 349 P CB 1.791 33.324 31.700 -0.279 0.000 0.979 350 V N 4.056 123.975 119.914 0.009 0.000 2.397 350 V HA 0.056 4.176 4.120 0.001 0.000 0.262 350 V C 0.928 177.034 176.094 0.019 0.000 1.047 350 V CA 0.226 62.544 62.300 0.030 0.000 1.003 350 V CB -0.428 31.434 31.823 0.066 0.000 1.037 350 V HN 0.469 nan 8.190 nan 0.000 0.480 351 M N 4.694 124.317 119.600 0.038 0.000 2.146 351 M HA 0.255 4.736 4.480 0.001 0.000 0.357 351 M C 0.630 176.967 176.300 0.062 0.000 1.261 351 M CA 0.250 55.595 55.300 0.074 0.000 1.106 351 M CB 1.149 33.800 32.600 0.086 0.000 1.612 351 M HN 0.762 nan 8.290 nan 0.000 0.470 352 S N 3.374 119.124 115.700 0.082 0.000 2.593 352 S HA 0.244 4.715 4.470 0.001 0.000 0.269 352 S C 1.242 175.873 174.600 0.052 0.000 1.334 352 S CA -0.627 57.614 58.200 0.068 0.000 1.015 352 S CB 0.939 64.190 63.200 0.086 0.000 0.912 352 S HN 0.639 nan 8.310 nan 0.000 0.541 353 M N 1.283 120.903 119.600 0.033 0.000 2.213 353 M HA -0.028 4.452 4.480 0.001 0.000 0.263 353 M C 2.048 178.351 176.300 0.004 0.000 1.062 353 M CA 1.631 56.937 55.300 0.010 0.000 1.105 353 M CB -1.625 30.977 32.600 0.003 0.000 1.385 353 M HN 0.921 nan 8.290 nan 0.000 0.417 354 K N 0.543 120.970 120.400 0.045 0.000 2.026 354 K HA -0.174 4.147 4.320 0.001 0.000 0.208 354 K C 1.822 178.496 176.600 0.123 0.000 1.048 354 K CA 1.530 57.873 56.287 0.093 0.000 0.929 354 K CB 0.060 32.644 32.500 0.140 0.000 0.713 354 K HN 0.348 nan 8.250 nan 0.000 0.439 355 E N 0.452 120.722 120.200 0.117 0.000 2.085 355 E HA -0.199 4.152 4.350 0.001 0.000 0.194 355 E C 2.054 178.697 176.600 0.073 0.000 0.994 355 E CA 1.369 57.845 56.400 0.128 0.000 0.801 355 E CB -0.052 29.749 29.700 0.169 0.000 0.743 355 E HN 0.284 nan 8.360 nan 0.000 0.453 356 L N 0.309 121.550 121.223 0.030 0.000 2.093 356 L HA -0.121 4.220 4.340 0.001 0.000 0.208 356 L C 2.524 179.350 176.870 -0.073 0.000 1.085 356 L CA 0.862 55.696 54.840 -0.009 0.000 0.755 356 L CB -0.373 41.679 42.059 -0.012 0.000 0.904 356 L HN 0.136 nan 8.230 nan 0.000 0.435 357 A N -0.999 121.724 122.820 -0.163 0.000 2.019 357 A HA -0.181 4.140 4.320 0.001 0.000 0.219 357 A C 1.683 178.998 177.584 -0.449 0.000 1.164 357 A CA 1.334 53.166 52.037 -0.342 0.000 0.644 357 A CB -0.509 18.195 19.000 -0.494 0.000 0.805 357 A HN 0.495 nan 8.150 nan 0.000 0.449 358 H N -1.211 117.863 119.070 0.007 0.000 2.592 358 H HA 0.148 4.704 4.556 0.001 0.000 0.279 358 H C -0.729 174.593 175.328 -0.009 0.000 1.089 358 H CA -0.447 55.600 56.048 -0.001 0.000 1.150 358 H CB -0.130 29.634 29.762 0.003 0.000 1.575 358 H HN 0.506 nan 8.280 nan 0.000 0.547 359 D N 2.516 122.946 120.400 0.050 0.000 2.371 359 D HA 0.041 4.682 4.640 0.001 0.000 0.256 359 D C -1.447 174.857 176.300 0.006 0.000 1.193 359 D CA -1.675 52.339 54.000 0.024 0.000 0.881 359 D CB 1.803 42.609 40.800 0.010 0.000 1.143 359 D HN 0.028 nan 8.370 nan 0.000 0.473 360 P HA -0.063 nan 4.420 nan 0.000 0.219 360 P C 1.220 178.508 177.300 -0.020 0.000 1.150 360 P CA 0.538 63.632 63.100 -0.010 0.000 0.814 360 P CB 0.270 31.961 31.700 -0.014 0.000 0.787 361 S N -0.261 115.427 115.700 -0.020 0.000 2.359 361 S HA -0.106 4.365 4.470 0.001 0.000 0.224 361 S C 1.811 176.393 174.600 -0.030 0.000 1.035 361 S CA 1.139 59.325 58.200 -0.023 0.000 1.018 361 S CB -1.122 62.067 63.200 -0.018 0.000 0.876 361 S HN 0.122 nan 8.310 nan 0.000 0.448 362 L N 0.996 122.201 121.223 -0.030 0.000 2.141 362 L HA -0.138 4.203 4.340 0.001 0.000 0.209 362 L C 2.655 179.493 176.870 -0.053 0.000 1.094 362 L CA 1.116 55.931 54.840 -0.042 0.000 0.763 362 L CB -0.435 41.599 42.059 -0.041 0.000 0.908 362 L HN 0.353 nan 8.230 nan 0.000 0.437 363 Q N -0.243 119.529 119.800 -0.047 0.000 2.123 363 Q HA -0.205 4.135 4.340 0.001 0.000 0.199 363 Q C 2.202 178.169 176.000 -0.055 0.000 0.966 363 Q CA 1.075 56.845 55.803 -0.054 0.000 0.845 363 Q CB 0.011 28.724 28.738 -0.041 0.000 0.907 363 Q HN 0.331 nan 8.270 nan 0.000 0.439 364 K N 0.767 121.140 120.400 -0.045 0.000 2.063 364 K HA -0.147 4.174 4.320 0.001 0.000 0.208 364 K C 1.754 178.323 176.600 -0.052 0.000 1.048 364 K CA 1.678 57.939 56.287 -0.044 0.000 0.928 364 K CB 0.071 32.550 32.500 -0.035 0.000 0.713 364 K HN 0.248 nan 8.250 nan 0.000 0.442 365 V N -3.345 116.535 119.914 -0.055 0.000 3.649 365 V HA 0.336 4.456 4.120 0.001 0.000 0.275 365 V C 0.940 176.985 176.094 -0.080 0.000 1.281 365 V CA 0.542 62.805 62.300 -0.061 0.000 1.143 365 V CB -0.067 31.723 31.823 -0.053 0.000 0.892 365 V HN 0.440 nan 8.190 nan 0.000 0.441 366 G N 0.046 108.792 108.800 -0.091 0.000 2.141 366 G HA2 -0.276 3.685 3.960 0.001 0.000 0.242 366 G HA3 -0.276 3.685 3.960 0.001 0.000 0.242 366 G C 0.532 175.353 174.900 -0.130 0.000 0.982 366 G CA 0.684 45.713 45.100 -0.120 0.000 0.662 366 G HN 0.509 nan 8.290 nan 0.000 0.527 367 T N -0.584 113.905 114.554 -0.108 0.000 2.939 367 T HA 0.269 4.619 4.350 0.001 0.000 0.254 367 T C 1.173 175.811 174.700 -0.103 0.000 1.041 367 T CA 1.177 63.211 62.100 -0.110 0.000 1.142 367 T CB 0.387 69.199 68.868 -0.093 0.000 0.874 367 T HN 0.302 nan 8.240 nan 0.000 0.452 368 V N 2.783 122.643 119.914 -0.091 0.000 2.394 368 V HA 0.480 4.601 4.120 0.001 0.000 0.282 368 V C -0.490 175.544 176.094 -0.101 0.000 1.031 368 V CA -0.610 61.637 62.300 -0.088 0.000 0.881 368 V CB 1.533 33.310 31.823 -0.075 0.000 0.982 368 V HN 0.058 nan 8.190 nan 0.000 0.451 369 V N 4.093 123.937 119.914 -0.117 0.000 2.588 369 V HA 0.380 4.500 4.120 0.001 0.000 0.304 369 V C -0.028 175.979 176.094 -0.145 0.000 1.042 369 V CA -0.808 61.408 62.300 -0.141 0.000 0.877 369 V CB 1.957 33.664 31.823 -0.194 0.000 0.996 369 V HN 0.950 nan 8.190 nan 0.000 0.425 370 E N 3.497 123.619 120.200 -0.129 0.000 2.129 370 E HA 0.349 4.700 4.350 0.001 0.000 0.283 370 E C -0.911 175.579 176.600 -0.183 0.000 1.080 370 E CA -0.344 55.973 56.400 -0.139 0.000 0.867 370 E CB 1.133 30.783 29.700 -0.083 0.000 1.056 370 E HN 0.526 nan 8.360 nan 0.000 0.404 371 V N 5.415 125.147 119.914 -0.304 0.000 2.461 371 V HA 0.062 4.183 4.120 0.001 0.000 0.275 371 V C 0.166 176.149 176.094 -0.184 0.000 1.047 371 V CA -0.686 61.436 62.300 -0.297 0.000 0.955 371 V CB 1.409 32.933 31.823 -0.499 0.000 0.988 371 V HN 0.490 nan 8.190 nan 0.000 0.471 372 V N 4.552 124.413 119.914 -0.088 0.000 2.415 372 V HA 0.192 4.312 4.120 0.001 0.000 0.267 372 V C 0.139 176.243 176.094 0.015 0.000 1.042 372 V CA 0.145 62.427 62.300 -0.030 0.000 1.000 372 V CB 0.802 32.615 31.823 -0.018 0.000 1.015 372 V HN 0.904 nan 8.190 nan 0.000 0.478 373 D N 4.136 124.564 120.400 0.047 0.000 2.389 373 D HA 0.164 4.805 4.640 0.001 0.000 0.256 373 D C 1.138 177.485 176.300 0.078 0.000 1.239 373 D CA -0.443 53.614 54.000 0.095 0.000 0.925 373 D CB 1.418 42.327 40.800 0.181 0.000 1.145 373 D HN 0.752 nan 8.370 nan 0.000 0.542 374 E N 2.893 123.130 120.200 0.061 0.000 2.418 374 E HA -0.066 4.284 4.350 0.001 0.000 0.197 374 E C 1.106 177.736 176.600 0.049 0.000 1.026 374 E CA 0.472 56.901 56.400 0.047 0.000 0.862 374 E CB 0.280 30.002 29.700 0.037 0.000 0.799 374 E HN 0.493 nan 8.360 nan 0.000 0.518 375 I N 0.469 121.075 120.570 0.060 0.000 2.494 375 I HA -0.040 4.130 4.170 0.001 0.000 0.250 375 I C 2.286 178.439 176.117 0.059 0.000 1.112 375 I CA 0.519 61.852 61.300 0.054 0.000 1.438 375 I CB 0.048 38.081 38.000 0.056 0.000 1.111 375 I HN -0.008 nan 8.210 nan 0.000 0.431 376 R N 0.844 121.393 120.500 0.081 0.000 2.365 376 R HA 0.349 4.690 4.340 0.001 0.000 0.223 376 R C 0.417 176.770 176.300 0.089 0.000 0.899 376 R CA 0.388 56.539 56.100 0.084 0.000 1.059 376 R CB 0.820 31.182 30.300 0.103 0.000 1.086 376 R HN 0.332 nan 8.270 nan 0.000 0.522 377 G N 1.922 110.775 108.800 0.090 0.000 2.705 377 G HA2 -0.210 3.751 3.960 0.001 0.000 0.686 377 G HA3 -0.210 3.751 3.960 0.001 0.000 0.686 377 G C -1.026 173.948 174.900 0.122 0.000 1.285 377 G CA -1.003 44.149 45.100 0.087 0.000 0.800 377 G HN 0.143 nan 8.290 nan 0.000 0.611 378 N N 0.819 119.572 118.700 0.089 0.000 2.453 378 N HA 0.524 5.264 4.740 0.001 0.000 0.253 378 N C 0.509 176.097 175.510 0.130 0.000 1.252 378 N CA 0.939 54.030 53.050 0.068 0.000 0.917 378 N CB 0.610 39.103 38.487 0.010 0.000 1.117 378 N HN 1.037 nan 8.380 nan 0.000 0.442 379 H N -2.078 117.013 119.070 0.036 0.000 2.985 379 H HA 0.595 5.151 4.556 0.001 0.000 0.360 379 H C -1.040 174.297 175.328 0.016 0.000 1.221 379 H CA -1.026 55.043 56.048 0.035 0.000 1.121 379 H CB 0.579 30.373 29.762 0.054 0.000 1.854 379 H HN 0.237 nan 8.280 nan 0.000 0.551 380 L N 1.162 122.428 121.223 0.071 0.000 2.375 380 L HA 0.515 4.855 4.340 0.001 0.000 0.271 380 L C 0.375 177.298 176.870 0.088 0.000 1.107 380 L CA -0.316 54.520 54.840 -0.007 0.000 0.806 380 L CB 1.628 43.680 42.059 -0.011 0.000 1.146 380 L HN 0.843 nan 8.230 nan 0.000 0.447 381 T N 0.832 115.381 114.554 -0.009 0.000 2.812 381 T HA 0.524 4.875 4.350 0.001 0.000 0.294 381 T C -1.079 173.601 174.700 -0.033 0.000 1.159 381 T CA -0.414 61.706 62.100 0.032 0.000 1.008 381 T CB 1.830 70.748 68.868 0.084 0.000 1.289 381 T HN 0.173 nan 8.240 nan 0.000 0.514 382 V N 2.722 122.618 119.914 -0.031 0.000 2.432 382 V HA 0.604 4.725 4.120 0.001 0.000 0.275 382 V C 1.305 177.386 176.094 -0.022 0.000 1.043 382 V CA -0.082 62.187 62.300 -0.051 0.000 0.925 382 V CB 0.829 32.611 31.823 -0.068 0.000 0.985 382 V HN 1.026 nan 8.190 nan 0.000 0.466 383 G N 3.042 111.780 108.800 -0.102 0.000 2.504 383 G HA2 0.535 4.496 3.960 0.001 0.000 0.257 383 G HA3 0.535 4.496 3.960 0.001 0.000 0.257 383 G C 0.142 174.993 174.900 -0.080 0.000 1.451 383 G CA -0.152 44.837 45.100 -0.185 0.000 1.059 383 G HN 1.068 nan 8.290 nan 0.000 0.550 384 A N 0.619 123.373 122.820 -0.110 0.000 2.451 384 A HA 0.500 4.820 4.320 0.001 0.000 0.266 384 A C -0.921 176.458 177.584 -0.343 0.000 1.119 384 A CA -0.914 51.047 52.037 -0.127 0.000 0.786 384 A CB 0.559 19.628 19.000 0.116 0.000 1.061 384 A HN 0.398 nan 8.150 nan 0.000 0.503 385 P HA 0.012 nan 4.420 nan 0.000 0.233 385 P C -0.267 176.771 177.300 -0.436 0.000 1.167 385 P CA 0.618 63.416 63.100 -0.504 0.000 0.770 385 P CB -0.122 31.301 31.700 -0.462 0.000 0.837 386 F N 0.620 120.583 119.950 0.020 0.000 2.408 386 F HA 0.529 5.056 4.527 0.001 0.000 0.344 386 F C 0.684 176.405 175.800 -0.131 0.000 1.112 386 F CA -1.357 56.579 58.000 -0.108 0.000 1.096 386 F CB 0.665 39.594 39.000 -0.118 0.000 1.129 386 F HN -0.427 nan 8.300 nan 0.000 0.486 387 K N 3.765 124.091 120.400 -0.123 0.000 2.221 387 K HA 0.567 4.888 4.320 0.001 0.000 0.258 387 K C -1.315 175.161 176.600 -0.208 0.000 0.944 387 K CA -0.628 55.620 56.287 -0.065 0.000 0.823 387 K CB 1.868 34.336 32.500 -0.053 0.000 1.113 387 K HN 0.502 nan 8.250 nan 0.000 0.431 388 F N -0.319 119.675 119.950 0.073 0.000 2.561 388 F HA 0.178 4.706 4.527 0.001 0.000 0.321 388 F C 1.721 177.558 175.800 0.060 0.000 1.065 388 F CA -0.773 57.294 58.000 0.112 0.000 0.934 388 F CB 1.695 40.849 39.000 0.257 0.000 1.215 388 F HN 0.545 nan 8.300 nan 0.000 0.471 389 S N -0.091 115.760 115.700 0.251 0.000 2.414 389 S HA 0.082 4.553 4.470 0.001 0.000 0.227 389 S C 1.288 175.972 174.600 0.141 0.000 1.022 389 S CA 0.733 59.019 58.200 0.143 0.000 0.958 389 S CB -0.313 62.947 63.200 0.100 0.000 0.797 389 S HN 0.855 nan 8.310 nan 0.000 0.493 390 G N 0.529 109.447 108.800 0.197 0.000 4.432 390 G HA2 0.528 4.489 3.960 0.001 0.000 0.294 390 G HA3 0.528 4.489 3.960 0.001 0.000 0.294 390 G C -0.757 174.274 174.900 0.219 0.000 1.141 390 G CA -0.489 44.703 45.100 0.155 0.000 0.895 390 G HN 0.420 nan 8.290 nan 0.000 0.548 391 F N 0.305 120.280 119.950 0.041 0.000 2.652 391 F HA 0.514 5.041 4.527 0.001 0.000 0.320 391 F C -2.068 173.747 175.800 0.025 0.000 1.115 391 F CA -1.032 56.951 58.000 -0.028 0.000 1.053 391 F CB 1.475 40.357 39.000 -0.196 0.000 1.297 391 F HN -0.033 nan 8.300 nan 0.000 0.471 392 Q N 6.355 125.772 119.800 -0.639 0.000 2.321 392 Q HA 0.433 4.774 4.340 0.001 0.000 0.270 392 Q C -2.745 172.830 176.000 -0.709 0.000 1.032 392 Q CA -1.932 53.462 55.803 -0.682 0.000 0.784 392 Q CB 2.555 31.134 28.738 -0.264 0.000 1.264 392 Q HN 0.392 nan 8.270 nan 0.000 0.448 393 P HA 0.054 nan 4.420 nan 0.000 0.269 393 P C -0.806 176.394 177.300 -0.167 0.000 1.209 393 P CA 0.051 63.003 63.100 -0.247 0.000 0.776 393 P CB 0.618 32.190 31.700 -0.214 0.000 0.876 394 E N 2.084 122.247 120.200 -0.062 0.000 2.256 394 E HA 0.307 4.658 4.350 0.001 0.000 0.243 394 E C -0.347 176.206 176.600 -0.078 0.000 0.925 394 E CA -0.336 56.023 56.400 -0.068 0.000 0.748 394 E CB 0.529 30.224 29.700 -0.008 0.000 1.206 394 E HN 0.376 nan 8.360 nan 0.000 0.428 395 I N 2.915 123.375 120.570 -0.182 0.000 2.416 395 I HA 0.122 4.293 4.170 0.001 0.000 0.288 395 I C 0.644 176.727 176.117 -0.056 0.000 1.051 395 I CA 0.045 61.232 61.300 -0.190 0.000 1.375 395 I CB 0.631 38.385 38.000 -0.410 0.000 1.407 395 I HN 0.394 nan 8.210 nan 0.000 0.516 396 T N 2.861 117.437 114.554 0.036 0.000 2.916 396 T HA 0.539 4.890 4.350 0.001 0.000 0.292 396 T C -0.167 174.594 174.700 0.101 0.000 1.055 396 T CA -1.234 60.898 62.100 0.053 0.000 1.009 396 T CB 1.599 70.501 68.868 0.058 0.000 1.118 396 T HN 0.691 nan 8.240 nan 0.000 0.497 397 R N 1.244 121.808 120.500 0.107 0.000 2.734 397 R HA 0.567 4.907 4.340 0.001 0.000 0.266 397 R C 0.375 176.781 176.300 0.177 0.000 1.044 397 R CA -0.486 55.712 56.100 0.163 0.000 1.128 397 R CB -0.179 30.218 30.300 0.162 0.000 1.010 397 R HN 0.826 nan 8.270 nan 0.000 0.461 398 A N 3.639 126.581 122.820 0.203 0.000 2.483 398 A HA 0.267 4.588 4.320 0.001 0.000 0.238 398 A C -1.869 175.889 177.584 0.290 0.000 1.070 398 A CA -1.274 50.879 52.037 0.193 0.000 0.770 398 A CB -0.357 18.726 19.000 0.139 0.000 1.008 398 A HN 0.756 nan 8.150 nan 0.000 0.497 399 P HA 0.283 nan 4.420 nan 0.000 0.275 399 P C -0.468 176.999 177.300 0.278 0.000 1.228 399 P CA -0.149 63.158 63.100 0.345 0.000 0.786 399 P CB 0.561 32.495 31.700 0.390 0.000 0.927 400 L N 1.708 123.014 121.223 0.138 0.000 2.464 400 L HA 0.129 4.470 4.340 0.001 0.000 0.264 400 L C 1.128 178.000 176.870 0.002 0.000 1.199 400 L CA -0.955 53.901 54.840 0.027 0.000 0.818 400 L CB -0.093 41.959 42.059 -0.011 0.000 1.102 400 L HN 0.283 nan 8.230 nan 0.000 0.473 401 L N 2.558 123.738 121.223 -0.073 0.000 2.562 401 L HA 0.217 4.558 4.340 0.001 0.000 0.271 401 L C 0.948 177.802 176.870 -0.026 0.000 1.167 401 L CA 1.220 56.020 54.840 -0.066 0.000 0.917 401 L CB -0.135 41.854 42.059 -0.116 0.000 1.187 401 L HN 0.787 nan 8.230 nan 0.000 0.482 402 G N 2.878 111.684 108.800 0.010 0.000 2.143 402 G HA2 -0.345 3.616 3.960 0.001 0.000 0.248 402 G HA3 -0.345 3.616 3.960 0.001 0.000 0.248 402 G C 0.886 175.783 174.900 -0.005 0.000 0.991 402 G CA 0.632 45.743 45.100 0.019 0.000 0.689 402 G HN 0.779 nan 8.290 nan 0.000 0.522 403 E N -0.572 119.596 120.200 -0.053 0.000 2.204 403 E HA -0.131 4.220 4.350 0.001 0.000 0.195 403 E C 1.554 177.915 176.600 -0.398 0.000 0.990 403 E CA 1.392 57.639 56.400 -0.255 0.000 0.821 403 E CB -0.032 29.438 29.700 -0.383 0.000 0.750 403 E HN 0.817 nan 8.360 nan 0.000 0.477 404 H N -1.558 117.529 119.070 0.028 0.000 2.674 404 H HA 0.215 4.772 4.556 0.001 0.000 0.274 404 H C 1.246 176.586 175.328 0.019 0.000 1.121 404 H CA 0.312 56.374 56.048 0.024 0.000 1.132 404 H CB 0.805 30.579 29.762 0.020 0.000 1.606 404 H HN 0.014 nan 8.280 nan 0.000 0.558 405 T N 0.400 115.008 114.554 0.090 0.000 2.684 405 T HA -0.180 4.170 4.350 0.001 0.000 0.267 405 T C 1.389 176.125 174.700 0.059 0.000 1.036 405 T CA 1.857 63.993 62.100 0.060 0.000 1.148 405 T CB -0.049 68.849 68.868 0.050 0.000 0.863 405 T HN 0.448 nan 8.240 nan 0.000 0.436 406 D N 0.609 121.059 120.400 0.084 0.000 2.123 406 D HA -0.058 4.583 4.640 0.001 0.000 0.200 406 D C 2.140 178.478 176.300 0.063 0.000 0.976 406 D CA 0.836 54.888 54.000 0.086 0.000 0.831 406 D CB -0.403 40.456 40.800 0.099 0.000 0.974 406 D HN 0.517 nan 8.370 nan 0.000 0.469 407 E N 0.740 120.982 120.200 0.070 0.000 2.097 407 E HA -0.189 4.161 4.350 0.001 0.000 0.196 407 E C 2.173 178.808 176.600 0.059 0.000 1.000 407 E CA 1.720 58.165 56.400 0.074 0.000 0.804 407 E CB 0.167 29.939 29.700 0.120 0.000 0.740 407 E HN 0.218 nan 8.360 nan 0.000 0.454 408 V N -1.339 118.609 119.914 0.058 0.000 2.591 408 V HA -0.121 3.999 4.120 0.001 0.000 0.249 408 V C 2.145 178.249 176.094 0.016 0.000 1.053 408 V CA 0.786 63.103 62.300 0.028 0.000 1.068 408 V CB -0.392 31.441 31.823 0.016 0.000 0.689 408 V HN 0.118 nan 8.190 nan 0.000 0.462 409 L N 0.253 121.487 121.223 0.018 0.000 2.046 409 L HA -0.031 4.310 4.340 0.001 0.000 0.208 409 L C 2.570 179.450 176.870 0.017 0.000 1.077 409 L CA 1.823 56.669 54.840 0.010 0.000 0.747 409 L CB -1.250 40.813 42.059 0.006 0.000 0.896 409 L HN 0.288 nan 8.230 nan 0.000 0.432 410 K N 0.162 120.577 120.400 0.025 0.000 2.044 410 K HA -0.186 4.135 4.320 0.001 0.000 0.210 410 K C 2.059 178.669 176.600 0.017 0.000 1.049 410 K CA 1.463 57.764 56.287 0.023 0.000 0.927 410 K CB -0.338 32.179 32.500 0.028 0.000 0.713 410 K HN 0.385 nan 8.250 nan 0.000 0.443 411 E N -0.095 120.115 120.200 0.016 0.000 2.204 411 E HA -0.103 4.247 4.350 0.001 0.000 0.194 411 E C 1.648 178.251 176.600 0.006 0.000 0.989 411 E CA 0.617 57.023 56.400 0.010 0.000 0.824 411 E CB -0.060 29.644 29.700 0.008 0.000 0.756 411 E HN 0.197 nan 8.360 nan 0.000 0.477 412 L N -0.650 120.577 121.223 0.006 0.000 2.551 412 L HA 0.010 4.351 4.340 0.001 0.000 0.228 412 L C 1.614 178.489 176.870 0.008 0.000 1.153 412 L CA 0.680 55.523 54.840 0.005 0.000 0.851 412 L CB 0.000 42.062 42.059 0.004 0.000 0.959 412 L HN 0.400 nan 8.230 nan 0.000 0.451 413 G N -0.688 108.118 108.800 0.009 0.000 2.278 413 G HA2 -0.233 3.727 3.960 0.001 0.000 0.210 413 G HA3 -0.233 3.727 3.960 0.001 0.000 0.210 413 G C 0.110 175.018 174.900 0.012 0.000 1.000 413 G CA -0.466 44.640 45.100 0.010 0.000 0.635 413 G HN 0.080 nan 8.290 nan 0.000 0.495 414 L N 2.050 123.280 121.223 0.013 0.000 2.514 414 L HA 0.410 4.751 4.340 0.001 0.000 0.280 414 L C 0.800 177.681 176.870 0.017 0.000 1.223 414 L CA 0.688 55.537 54.840 0.014 0.000 0.864 414 L CB 0.452 42.518 42.059 0.013 0.000 1.118 414 L HN 0.264 nan 8.230 nan 0.000 0.494 415 D N 0.204 120.615 120.400 0.018 0.000 2.494 415 D HA 0.113 4.753 4.640 0.001 0.000 0.259 415 D C 0.351 176.666 176.300 0.026 0.000 1.109 415 D CA -0.494 53.519 54.000 0.020 0.000 1.040 415 D CB 1.558 42.368 40.800 0.016 0.000 1.175 415 D HN 0.531 nan 8.370 nan 0.000 0.584 416 D N 0.492 120.907 120.400 0.026 0.000 2.116 416 D HA -0.171 4.470 4.640 0.001 0.000 0.193 416 D C 1.666 177.988 176.300 0.036 0.000 0.998 416 D CA 1.909 55.928 54.000 0.032 0.000 0.836 416 D CB -0.238 40.576 40.800 0.023 0.000 0.951 416 D HN 0.408 nan 8.370 nan 0.000 0.449 417 A N 0.200 123.036 122.820 0.028 0.000 1.972 417 A HA -0.197 4.124 4.320 0.001 0.000 0.219 417 A C 1.958 179.561 177.584 0.031 0.000 1.169 417 A CA 1.624 53.678 52.037 0.028 0.000 0.635 417 A CB -0.305 18.707 19.000 0.020 0.000 0.810 417 A HN 0.079 nan 8.150 nan 0.000 0.446 418 K N -0.111 120.306 120.400 0.028 0.000 2.167 418 K HA 0.169 4.490 4.320 0.001 0.000 0.203 418 K C 1.550 178.166 176.600 0.027 0.000 1.052 418 K CA 0.928 57.229 56.287 0.024 0.000 0.956 418 K CB -0.310 32.200 32.500 0.018 0.000 0.735 418 K HN 0.565 nan 8.250 nan 0.000 0.451 419 I N 0.753 121.348 120.570 0.042 0.000 2.286 419 I HA -0.254 3.917 4.170 0.001 0.000 0.245 419 I C 1.788 177.986 176.117 0.136 0.000 1.104 419 I CA 1.148 62.486 61.300 0.063 0.000 1.397 419 I CB -0.168 37.891 38.000 0.098 0.000 1.072 419 I HN 0.100 nan 8.210 nan 0.000 0.417 420 K N 0.608 121.084 120.400 0.127 0.000 2.103 420 K HA -0.260 4.061 4.320 0.001 0.000 0.207 420 K C 2.065 178.728 176.600 0.105 0.000 1.048 420 K CA 1.608 57.972 56.287 0.128 0.000 0.930 420 K CB -0.176 32.363 32.500 0.065 0.000 0.716 420 K HN 0.344 nan 8.250 nan 0.000 0.444 421 E N 1.053 121.291 120.200 0.062 0.000 2.072 421 E HA -0.167 4.184 4.350 0.001 0.000 0.191 421 E C 1.979 178.596 176.600 0.029 0.000 0.985 421 E CA 0.769 57.193 56.400 0.040 0.000 0.801 421 E CB 0.050 29.765 29.700 0.025 0.000 0.750 421 E HN 0.230 nan 8.360 nan 0.000 0.452 422 L N 0.436 121.659 121.223 0.000 0.000 2.046 422 L HA -0.194 4.146 4.340 0.001 0.000 0.208 422 L C 2.706 179.529 176.870 -0.078 0.000 1.077 422 L CA 1.039 55.843 54.840 -0.059 0.000 0.747 422 L CB -0.630 41.356 42.059 -0.121 0.000 0.896 422 L HN 0.276 nan 8.230 nan 0.000 0.432 423 H N -0.238 118.835 119.070 0.005 0.000 2.353 423 H HA -0.099 4.458 4.556 0.001 0.000 0.300 423 H C 2.289 177.618 175.328 0.002 0.000 1.090 423 H CA 1.564 57.613 56.048 0.002 0.000 1.327 423 H CB -0.036 29.726 29.762 -0.000 0.000 1.383 423 H HN 0.367 nan 8.280 nan 0.000 0.508 424 A N 1.415 124.310 122.820 0.125 0.000 1.902 424 A HA -0.144 4.176 4.320 0.001 0.000 0.217 424 A C 2.256 179.866 177.584 0.042 0.000 1.181 424 A CA 1.322 53.400 52.037 0.068 0.000 0.623 424 A CB -0.254 18.777 19.000 0.051 0.000 0.818 424 A HN 0.273 nan 8.150 nan 0.000 0.443 425 K N -0.758 119.660 120.400 0.030 0.000 2.504 425 K HA -0.030 4.291 4.320 0.001 0.000 0.195 425 K C -0.185 176.423 176.600 0.013 0.000 1.036 425 K CA 0.661 56.958 56.287 0.017 0.000 0.984 425 K CB -0.032 32.474 32.500 0.009 0.000 0.788 425 K HN 0.613 nan 8.250 nan 0.000 0.488 426 Q N -0.613 119.198 119.800 0.018 0.000 2.494 426 Q HA -0.177 4.163 4.340 0.001 0.000 0.272 426 Q C 0.744 176.741 176.000 -0.004 0.000 1.145 426 Q CA 0.488 56.299 55.803 0.015 0.000 0.943 426 Q CB -2.266 26.483 28.738 0.018 0.000 1.338 426 Q HN 0.249 nan 8.270 nan 0.000 0.492 427 V N -0.831 119.070 119.914 -0.021 0.000 2.535 427 V HA 0.002 4.123 4.120 0.001 0.000 0.246 427 V C 1.012 177.079 176.094 -0.046 0.000 1.045 427 V CA 1.501 63.786 62.300 -0.025 0.000 1.058 427 V CB 0.805 32.616 31.823 -0.021 0.000 0.689 427 V HN 0.365 nan 8.190 nan 0.000 0.461 428 V N 0.000 119.855 119.914 -0.098 0.000 2.409 428 V HA 0.000 4.121 4.120 0.001 0.000 0.244 428 V CA 0.000 62.224 62.300 -0.127 0.000 1.235 428 V CB 0.000 31.680 31.823 -0.238 0.000 1.184 428 V HN 0.000 nan 8.190 nan 0.000 0.556