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 1o7a_1_C DATA FIRST_RESID 54 DATA SEQUENCE PALWPLPLSV KMTPNLLHLA PENFYISHSP NSTAGPSCTL LEEAFRRYHG DATA SEQUENCE YIFGXXXXXX XXXXXXXXTQ VQQLLVSITL QSECDAFPNI SSDESYTLLV DATA SEQUENCE KEPVAVLKAN RVWGALRGLE TFSQLVYQDS YGTFTINEST IIDSPRFSHR DATA SEQUENCE GILIDTSRHY LPVKIILKTL DAMAFNKFNV LHWHIVDDQS FPYQSITFPE DATA SEQUENCE LSNKGSYSLS HVYTPNDVRM VIEYARLRGI RVLPEFDTPG HTLSWGKGQK DATA SEQUENCE DLLTPcYSXX XKLDSFGPIN PTLNTTYSFL TTFFKEISEV FPDQFIHLGG DATA SEQUENCE DEVEFKcWES NPKIQDFMRQ KGFGTDFKKL ESFYIQKVLD IIATINKGSI DATA SEQUENCE VWQEVFDDKA KLAPGTIVEV WKDSAYPEEL SRVTASGFPV ILSAPWYLDL DATA SEQUENCE ISYGQDWRKY YKVEPLDFGG TQKQKQLFIG GEACLWGEYV DATNLTPRLW DATA SEQUENCE PRASAVGERL WSSKDVRDMD DAYDRLTRHR cRMVERGIAA QPLYAGYcNH DATA SEQUENCE E 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 54 P HA 0.000 nan 4.420 nan 0.000 0.216 54 P C 0.000 177.245 177.300 -0.092 0.000 1.155 54 P CA 0.000 63.017 63.100 -0.137 0.000 0.800 54 P CB 0.000 31.525 31.700 -0.292 0.000 0.726 55 A N 2.428 125.204 122.820 -0.074 0.000 2.294 55 A HA 0.580 4.900 4.320 0.001 0.000 0.316 55 A C -0.156 177.433 177.584 0.007 0.000 1.359 55 A CA -0.351 51.667 52.037 -0.031 0.000 0.956 55 A CB 0.280 19.255 19.000 -0.042 0.000 1.155 55 A HN 0.085 nan 8.150 nan 0.000 0.544 56 L N 2.894 124.125 121.223 0.012 0.000 2.312 56 L HA 0.523 4.864 4.340 0.001 0.000 0.281 56 L C -0.330 176.553 176.870 0.021 0.000 1.070 56 L CA -0.171 54.667 54.840 -0.004 0.000 0.805 56 L CB 0.948 42.991 42.059 -0.027 0.000 1.174 56 L HN 0.834 nan 8.230 nan 0.000 0.434 57 W N 5.674 126.802 121.300 -0.285 0.000 3.775 57 W HA 0.307 4.968 4.660 0.001 0.000 0.315 57 W C -2.906 173.348 176.519 -0.441 0.000 1.169 57 W CA -1.444 55.654 57.345 -0.411 0.000 1.266 57 W CB 2.267 31.275 29.460 -0.752 0.000 1.269 57 W HN 0.296 nan 8.180 nan 0.000 0.471 58 P HA 0.055 nan 4.420 nan 0.000 0.272 58 P C -0.208 176.822 177.300 -0.450 0.000 1.223 58 P CA -0.251 62.399 63.100 -0.749 0.000 0.784 58 P CB 0.779 32.190 31.700 -0.481 0.000 0.923 59 L N 5.249 126.238 121.223 -0.390 0.000 2.462 59 L HA 0.215 4.555 4.340 0.001 0.000 0.272 59 L C -2.217 174.642 176.870 -0.019 0.000 1.166 59 L CA -1.327 53.417 54.840 -0.160 0.000 0.880 59 L CB -0.432 41.554 42.059 -0.121 0.000 1.142 59 L HN 0.308 nan 8.230 nan 0.000 0.473 60 P HA -0.017 nan 4.420 nan 0.000 0.270 60 P C 0.941 178.306 177.300 0.108 0.000 1.223 60 P CA -0.228 62.955 63.100 0.138 0.000 0.785 60 P CB 0.568 32.332 31.700 0.107 0.000 0.923 61 L N 0.497 121.789 121.223 0.115 0.000 1.990 61 L HA -0.144 4.196 4.340 0.001 0.000 0.213 61 L C 0.792 177.659 176.870 -0.004 0.000 1.072 61 L CA 2.001 56.851 54.840 0.017 0.000 0.755 61 L CB -0.250 41.783 42.059 -0.044 0.000 0.889 61 L HN 0.398 nan 8.230 nan 0.000 0.432 62 S N -0.948 114.749 115.700 -0.006 0.000 2.647 62 S HA 0.493 4.964 4.470 0.001 0.000 0.300 62 S C -0.973 173.630 174.600 0.006 0.000 1.129 62 S CA -0.682 57.513 58.200 -0.008 0.000 1.029 62 S CB 1.600 64.787 63.200 -0.021 0.000 1.007 62 S HN -0.050 nan 8.310 nan 0.000 0.484 63 V N 5.971 125.892 119.914 0.012 0.000 2.376 63 V HA 0.506 4.627 4.120 0.001 0.000 0.287 63 V C -0.486 175.618 176.094 0.017 0.000 1.015 63 V CA -0.652 61.660 62.300 0.020 0.000 0.834 63 V CB 1.546 33.382 31.823 0.021 0.000 1.001 63 V HN 0.835 nan 8.190 nan 0.000 0.428 64 K N 5.166 125.579 120.400 0.021 0.000 2.473 64 K HA 0.585 4.905 4.320 0.001 0.000 0.246 64 K C -0.717 175.897 176.600 0.023 0.000 1.011 64 K CA -0.517 55.781 56.287 0.018 0.000 0.984 64 K CB 1.781 34.290 32.500 0.016 0.000 1.250 64 K HN 0.558 nan 8.250 nan 0.000 0.454 65 M N 2.067 121.678 119.600 0.019 0.000 2.423 65 M HA 0.247 4.727 4.480 0.001 0.000 0.335 65 M C -0.054 176.257 176.300 0.018 0.000 1.177 65 M CA -0.045 55.268 55.300 0.020 0.000 1.038 65 M CB 1.603 34.213 32.600 0.017 0.000 1.641 65 M HN 0.623 nan 8.290 nan 0.000 0.455 66 T N 0.168 114.734 114.554 0.019 0.000 2.927 66 T HA 0.746 5.097 4.350 0.001 0.000 0.286 66 T C -2.494 172.217 174.700 0.018 0.000 1.040 66 T CA -1.415 60.695 62.100 0.017 0.000 1.010 66 T CB 1.675 70.553 68.868 0.016 0.000 1.177 66 T HN 0.622 nan 8.240 nan 0.000 0.546 67 P HA 0.241 nan 4.420 nan 0.000 0.263 67 P C -0.625 176.686 177.300 0.018 0.000 1.448 67 P CA -0.418 62.694 63.100 0.021 0.000 0.983 67 P CB 0.084 31.796 31.700 0.019 0.000 1.481 68 N N 1.261 119.968 118.700 0.010 0.000 2.458 68 N HA 0.210 4.950 4.740 0.001 0.000 0.270 68 N C -0.072 175.422 175.510 -0.027 0.000 1.102 68 N CA -0.174 52.874 53.050 -0.003 0.000 0.967 68 N CB 1.436 39.922 38.487 -0.002 0.000 1.078 68 N HN 0.153 nan 8.380 nan 0.000 0.471 69 L N 3.275 124.464 121.223 -0.057 0.000 2.289 69 L HA 0.501 4.841 4.340 0.001 0.000 0.285 69 L C 0.086 176.770 176.870 -0.309 0.000 1.049 69 L CA -0.561 54.185 54.840 -0.156 0.000 0.804 69 L CB 0.948 42.928 42.059 -0.131 0.000 1.195 69 L HN 0.256 nan 8.230 nan 0.000 0.428 70 L N 2.309 123.306 121.223 -0.377 0.000 2.319 70 L HA 0.570 4.910 4.340 0.001 0.000 0.267 70 L C -0.875 175.646 176.870 -0.582 0.000 1.011 70 L CA -0.820 53.796 54.840 -0.373 0.000 0.818 70 L CB 2.105 44.083 42.059 -0.136 0.000 1.316 70 L HN 0.557 nan 8.230 nan 0.000 0.432 71 H N 0.462 119.522 119.070 -0.017 0.000 2.797 71 H HA 0.706 5.262 4.556 0.001 0.000 0.372 71 H C -1.318 174.015 175.328 0.007 0.000 1.168 71 H CA -0.730 55.307 56.048 -0.018 0.000 1.163 71 H CB 2.101 31.865 29.762 0.003 0.000 1.778 71 H HN 0.183 nan 8.280 nan 0.000 0.551 72 L N 1.108 122.424 121.223 0.155 0.000 2.362 72 L HA 0.646 4.986 4.340 0.001 0.000 0.271 72 L C -0.313 176.609 176.870 0.087 0.000 1.002 72 L CA -0.703 54.178 54.840 0.068 0.000 0.818 72 L CB 1.865 43.853 42.059 -0.118 0.000 1.298 72 L HN 0.757 nan 8.230 nan 0.000 0.420 73 A N 3.413 126.244 122.820 0.019 0.000 2.280 73 A HA 0.684 5.004 4.320 0.001 0.000 0.320 73 A C -1.903 175.461 177.584 -0.367 0.000 1.366 73 A CA -1.297 50.692 52.037 -0.080 0.000 0.938 73 A CB 0.399 19.398 19.000 -0.002 0.000 1.157 73 A HN 0.641 nan 8.150 nan 0.000 0.536 74 P HA -0.203 nan 4.420 nan 0.000 0.216 74 P C 0.930 177.833 177.300 -0.661 0.000 1.154 74 P CA 1.383 63.661 63.100 -1.369 0.000 0.865 74 P CB 0.369 31.505 31.700 -0.940 0.000 0.789 75 E N -1.945 118.047 120.200 -0.345 0.000 2.489 75 E HA 0.041 4.391 4.350 0.001 0.000 0.193 75 E C 0.532 177.022 176.600 -0.183 0.000 1.057 75 E CA 0.333 56.605 56.400 -0.213 0.000 0.866 75 E CB -0.641 28.985 29.700 -0.123 0.000 0.916 75 E HN 0.383 nan 8.360 nan 0.000 0.500 76 N N -0.058 118.541 118.700 -0.168 0.000 2.646 76 N HA 0.065 4.805 4.740 0.001 0.000 0.303 76 N C -1.487 174.023 175.510 -0.001 0.000 1.921 76 N CA -0.102 52.913 53.050 -0.059 0.000 0.872 76 N CB 0.330 38.858 38.487 0.068 0.000 1.327 76 N HN -0.141 nan 8.380 nan 0.000 0.492 77 F N 1.912 121.625 119.950 -0.396 0.000 2.579 77 F HA 0.447 4.974 4.527 0.001 0.000 0.325 77 F C -1.834 173.770 175.800 -0.326 0.000 1.162 77 F CA -0.578 57.325 58.000 -0.163 0.000 0.946 77 F CB 0.675 39.687 39.000 0.021 0.000 1.211 77 F HN -0.044 nan 8.300 nan 0.000 0.447 78 Y N 6.229 126.142 120.300 -0.646 0.000 2.377 78 Y HA 0.608 5.158 4.550 0.001 0.000 0.339 78 Y C -0.125 175.290 175.900 -0.808 0.000 1.011 78 Y CA -1.203 56.571 58.100 -0.544 0.000 1.093 78 Y CB 1.614 39.885 38.460 -0.315 0.000 1.201 78 Y HN 0.361 nan 8.280 nan 0.000 0.455 79 I N 3.573 123.851 120.570 -0.486 0.000 2.328 79 I HA 0.418 4.589 4.170 0.001 0.000 0.287 79 I C -0.553 175.136 176.117 -0.713 0.000 1.012 79 I CA -0.100 60.788 61.300 -0.687 0.000 1.195 79 I CB 0.750 38.362 38.000 -0.647 0.000 1.350 79 I HN 0.609 nan 8.210 nan 0.000 0.464 80 S N 4.147 119.456 115.700 -0.652 0.000 2.697 80 S HA 0.518 4.988 4.470 0.001 0.000 0.289 80 S C -0.682 173.721 174.600 -0.329 0.000 1.149 80 S CA -0.914 57.049 58.200 -0.395 0.000 0.850 80 S CB 1.592 64.694 63.200 -0.164 0.000 1.151 80 S HN 0.445 nan 8.310 nan 0.000 0.491 81 H N 1.373 120.493 119.070 0.083 0.000 2.722 81 H HA 0.312 4.868 4.556 0.001 0.000 0.328 81 H C 0.453 175.785 175.328 0.006 0.000 1.067 81 H CA 0.107 56.216 56.048 0.101 0.000 1.447 81 H CB 1.062 30.891 29.762 0.111 0.000 1.469 81 H HN 0.551 nan 8.280 nan 0.000 0.544 82 S N 4.542 120.305 115.700 0.106 0.000 2.562 82 S HA 0.031 4.501 4.470 0.001 0.000 0.281 82 S C -1.141 173.491 174.600 0.052 0.000 1.333 82 S CA -1.228 56.996 58.200 0.041 0.000 1.052 82 S CB 0.663 63.878 63.200 0.025 0.000 0.884 82 S HN 0.505 nan 8.310 nan 0.000 0.506 83 P HA -0.040 nan 4.420 nan 0.000 0.225 83 P C 0.150 177.455 177.300 0.008 0.000 1.148 83 P CA 0.876 63.984 63.100 0.013 0.000 0.779 83 P CB -0.003 31.697 31.700 -0.001 0.000 0.780 84 N N -0.864 117.843 118.700 0.012 0.000 2.230 84 N HA 0.025 4.765 4.740 0.001 0.000 0.202 84 N C 0.623 176.140 175.510 0.012 0.000 1.119 84 N CA 0.135 53.190 53.050 0.008 0.000 0.851 84 N CB -0.052 38.439 38.487 0.007 0.000 0.990 84 N HN 0.044 nan 8.380 nan 0.000 0.497 85 S N 0.374 116.089 115.700 0.024 0.000 2.573 85 S HA 0.050 4.520 4.470 0.001 0.000 0.277 85 S C 1.553 176.151 174.600 -0.003 0.000 1.346 85 S CA -0.042 58.175 58.200 0.029 0.000 1.034 85 S CB 0.601 63.849 63.200 0.080 0.000 0.879 85 S HN 0.460 nan 8.310 nan 0.000 0.528 86 T N 1.066 115.615 114.554 -0.009 0.000 3.129 86 T HA 0.482 4.832 4.350 0.001 0.000 0.251 86 T C 0.331 174.993 174.700 -0.062 0.000 1.117 86 T CA 0.205 62.287 62.100 -0.030 0.000 1.034 86 T CB -0.115 68.740 68.868 -0.022 0.000 0.968 86 T HN 0.672 nan 8.240 nan 0.000 0.526 87 A N -0.336 122.440 122.820 -0.072 0.000 2.384 87 A HA 0.948 5.268 4.320 0.001 0.000 0.312 87 A C 0.244 177.619 177.584 -0.349 0.000 1.113 87 A CA -0.421 51.520 52.037 -0.159 0.000 0.779 87 A CB 1.591 20.529 19.000 -0.104 0.000 1.307 87 A HN 0.605 nan 8.150 nan 0.000 0.436 88 G N -1.048 107.400 108.800 -0.587 0.000 2.815 88 G HA2 0.551 4.511 3.960 0.001 0.000 0.305 88 G HA3 0.551 4.511 3.960 0.001 0.000 0.305 88 G C -2.595 171.825 174.900 -0.800 0.000 1.277 88 G CA -0.598 43.966 45.100 -0.894 0.000 0.795 88 G HN 0.290 nan 8.290 nan 0.000 0.528 89 P HA -0.129 nan 4.420 nan 0.000 0.218 89 P C 2.089 179.325 177.300 -0.107 0.000 1.146 89 P CA 2.356 65.398 63.100 -0.096 0.000 0.820 89 P CB 0.162 31.843 31.700 -0.032 0.000 0.778 90 S N -2.438 113.175 115.700 -0.146 0.000 2.515 90 S HA -0.095 4.376 4.470 0.001 0.000 0.231 90 S C 1.133 175.658 174.600 -0.125 0.000 0.987 90 S CA 0.093 58.225 58.200 -0.113 0.000 0.936 90 S CB -1.475 61.663 63.200 -0.103 0.000 0.766 90 S HN 0.195 nan 8.310 nan 0.000 0.528 91 C N 3.712 122.912 119.300 -0.167 0.000 2.428 91 C HA 0.398 4.858 4.460 0.001 0.000 0.362 91 C C 1.962 176.859 174.990 -0.154 0.000 1.114 91 C CA -0.176 58.743 59.018 -0.165 0.000 1.473 91 C CB -2.065 25.561 27.740 -0.189 0.000 2.003 91 C HN 0.627 nan 8.230 nan 0.000 0.526 92 T N 4.095 118.570 114.554 -0.132 0.000 2.635 92 T HA -0.260 4.090 4.350 0.001 0.000 0.267 92 T C 1.797 176.406 174.700 -0.152 0.000 1.040 92 T CA 2.173 64.201 62.100 -0.120 0.000 1.156 92 T CB -0.308 68.505 68.868 -0.092 0.000 0.863 92 T HN 0.823 nan 8.240 nan 0.000 0.430 93 L N 0.393 121.516 121.223 -0.166 0.000 1.997 93 L HA -0.146 4.194 4.340 0.001 0.000 0.216 93 L C 2.353 179.085 176.870 -0.230 0.000 1.074 93 L CA 1.667 56.401 54.840 -0.177 0.000 0.763 93 L CB -0.346 41.590 42.059 -0.205 0.000 0.890 93 L HN 0.283 nan 8.230 nan 0.000 0.434 94 L N -0.652 120.381 121.223 -0.316 0.000 2.056 94 L HA -0.162 4.178 4.340 0.001 0.000 0.207 94 L C 2.766 179.111 176.870 -0.875 0.000 1.078 94 L CA 0.927 55.424 54.840 -0.571 0.000 0.749 94 L CB -0.650 41.085 42.059 -0.541 0.000 0.901 94 L HN 0.323 nan 8.230 nan 0.000 0.433 95 E N 0.079 119.965 120.200 -0.524 0.000 2.085 95 E HA -0.210 4.140 4.350 0.001 0.000 0.194 95 E C 2.102 178.582 176.600 -0.199 0.000 0.994 95 E CA 1.060 57.246 56.400 -0.356 0.000 0.801 95 E CB -0.054 29.565 29.700 -0.134 0.000 0.743 95 E HN 0.436 nan 8.360 nan 0.000 0.453 96 E N 0.521 120.627 120.200 -0.157 0.000 2.072 96 E HA -0.097 4.253 4.350 0.001 0.000 0.191 96 E C 2.030 178.617 176.600 -0.022 0.000 0.985 96 E CA 0.950 57.303 56.400 -0.078 0.000 0.801 96 E CB -0.311 29.340 29.700 -0.083 0.000 0.750 96 E HN 0.203 nan 8.360 nan 0.000 0.452 97 A N 0.925 123.730 122.820 -0.024 0.000 1.902 97 A HA -0.145 4.176 4.320 0.001 0.000 0.217 97 A C 2.209 180.020 177.584 0.379 0.000 1.181 97 A CA 1.112 53.257 52.037 0.181 0.000 0.623 97 A CB -1.024 18.070 19.000 0.157 0.000 0.818 97 A HN 0.237 nan 8.150 nan 0.000 0.443 98 F N -0.578 119.414 119.950 0.070 0.000 2.095 98 F HA -0.235 4.293 4.527 0.001 0.000 0.298 98 F C 2.741 178.600 175.800 0.098 0.000 1.104 98 F CA 1.416 59.449 58.000 0.055 0.000 1.232 98 F CB -0.191 38.776 39.000 -0.054 0.000 0.987 98 F HN 0.250 nan 8.300 nan 0.000 0.475 99 R N 1.161 121.805 120.500 0.239 0.000 2.075 99 R HA -0.167 4.174 4.340 0.001 0.000 0.232 99 R C 2.340 178.673 176.300 0.055 0.000 1.126 99 R CA 1.360 57.529 56.100 0.115 0.000 0.963 99 R CB -0.395 29.926 30.300 0.035 0.000 0.858 99 R HN 0.178 nan 8.270 nan 0.000 0.435 100 R N -0.633 119.863 120.500 -0.008 0.000 2.083 100 R HA -0.180 4.160 4.340 0.001 0.000 0.237 100 R C 1.930 177.984 176.300 -0.410 0.000 1.137 100 R CA 1.978 57.923 56.100 -0.258 0.000 0.951 100 R CB -0.379 29.790 30.300 -0.218 0.000 0.851 100 R HN 0.303 nan 8.270 nan 0.000 0.434 101 Y N -0.915 119.412 120.300 0.045 0.000 2.439 101 Y HA -0.180 4.370 4.550 0.001 0.000 0.292 101 Y C 2.433 178.405 175.900 0.119 0.000 1.130 101 Y CA 1.404 59.600 58.100 0.159 0.000 1.254 101 Y CB -0.178 38.425 38.460 0.239 0.000 1.000 101 Y HN 0.289 nan 8.280 nan 0.000 0.554 102 H N -0.479 118.692 119.070 0.168 0.000 2.389 102 H HA -0.102 4.454 4.556 0.001 0.000 0.299 102 H C 2.233 177.636 175.328 0.125 0.000 1.081 102 H CA 1.403 57.576 56.048 0.210 0.000 1.345 102 H CB -0.228 29.649 29.762 0.191 0.000 1.393 102 H HN 0.460 nan 8.280 nan 0.000 0.520 103 G N -0.626 108.223 108.800 0.081 0.000 2.404 103 G HA2 -0.244 3.716 3.960 0.001 0.000 0.215 103 G HA3 -0.244 3.716 3.960 0.001 0.000 0.215 103 G C 1.542 176.404 174.900 -0.062 0.000 1.174 103 G CA 0.575 45.654 45.100 -0.035 0.000 0.780 103 G HN 0.458 nan 8.290 nan 0.000 0.537 104 Y N 0.481 120.745 120.300 -0.060 0.000 2.165 104 Y HA -0.095 4.456 4.550 0.001 0.000 0.286 104 Y C 2.797 178.607 175.900 -0.150 0.000 1.155 104 Y CA 0.558 58.581 58.100 -0.128 0.000 1.164 104 Y CB -0.145 38.192 38.460 -0.205 0.000 0.978 104 Y HN 0.120 nan 8.280 nan 0.000 0.513 105 I N -1.188 119.334 120.570 -0.081 0.000 2.252 105 I HA -0.278 3.892 4.170 0.001 0.000 0.245 105 I C 0.540 176.292 176.117 -0.608 0.000 1.102 105 I CA 1.398 62.426 61.300 -0.453 0.000 1.385 105 I CB -0.219 37.284 38.000 -0.828 0.000 1.064 105 I HN 0.066 nan 8.210 nan 0.000 0.414 106 F N 1.322 121.152 119.950 -0.201 0.000 2.983 106 F HA 0.450 4.977 4.527 0.001 0.000 0.307 106 F C 1.273 177.073 175.800 -0.000 0.000 1.218 106 F CA -0.408 57.427 58.000 -0.276 0.000 1.323 106 F CB -0.391 38.289 39.000 -0.535 0.000 0.989 106 F HN 0.075 nan 8.300 nan 0.000 0.509 123 Q N 2.214 122.075 119.800 0.102 0.000 2.293 123 Q HA 0.512 4.853 4.340 0.001 0.000 0.263 123 Q C -0.371 175.698 176.000 0.114 0.000 1.002 123 Q CA -0.457 55.414 55.803 0.114 0.000 0.910 123 Q CB 0.972 29.782 28.738 0.121 0.000 1.185 123 Q HN 0.571 nan 8.270 nan 0.000 0.401 124 V N 6.527 126.520 119.914 0.132 0.000 2.339 124 V HA 0.076 4.196 4.120 0.001 0.000 0.261 124 V C 0.683 176.964 176.094 0.311 0.000 1.058 124 V CA 0.034 62.446 62.300 0.187 0.000 0.897 124 V CB 0.993 32.929 31.823 0.189 0.000 1.052 124 V HN 1.010 nan 8.190 nan 0.000 0.480 125 Q N 4.215 124.178 119.800 0.270 0.000 2.425 125 Q HA 0.186 4.526 4.340 0.001 0.000 0.204 125 Q C 0.457 176.633 176.000 0.294 0.000 0.933 125 Q CA 0.230 56.220 55.803 0.311 0.000 0.939 125 Q CB 0.522 29.374 28.738 0.190 0.000 1.044 125 Q HN 0.823 nan 8.270 nan 0.000 0.513 126 Q N 0.176 120.109 119.800 0.221 0.000 2.545 126 Q HA 0.406 4.746 4.340 0.001 0.000 0.273 126 Q C -2.361 173.579 176.000 -0.100 0.000 0.975 126 Q CA -0.762 54.972 55.803 -0.115 0.000 0.876 126 Q CB 1.840 30.532 28.738 -0.076 0.000 1.472 126 Q HN 0.228 nan 8.270 nan 0.000 0.389 127 L N 4.152 125.148 121.223 -0.379 0.000 2.316 127 L HA 0.531 4.872 4.340 0.001 0.000 0.280 127 L C -1.814 174.822 176.870 -0.390 0.000 1.006 127 L CA -0.217 54.409 54.840 -0.355 0.000 0.836 127 L CB 1.234 42.954 42.059 -0.564 0.000 1.221 127 L HN 0.678 nan 8.230 nan 0.000 0.418 128 L N 5.678 126.747 121.223 -0.257 0.000 2.312 128 L HA 0.558 4.898 4.340 0.001 0.000 0.281 128 L C -0.613 176.136 176.870 -0.202 0.000 1.070 128 L CA -0.812 53.899 54.840 -0.215 0.000 0.805 128 L CB 1.715 43.706 42.059 -0.112 0.000 1.174 128 L HN 0.337 nan 8.230 nan 0.000 0.434 129 V N 2.249 122.050 119.914 -0.189 0.000 2.384 129 V HA 0.314 4.435 4.120 0.001 0.000 0.287 129 V C -0.039 176.080 176.094 0.043 0.000 1.020 129 V CA -0.376 61.876 62.300 -0.080 0.000 0.850 129 V CB 1.559 33.355 31.823 -0.044 0.000 0.987 129 V HN 0.756 nan 8.190 nan 0.000 0.436 130 S N 5.877 121.601 115.700 0.040 0.000 2.530 130 S HA 0.638 5.108 4.470 0.001 0.000 0.322 130 S C -0.644 173.990 174.600 0.057 0.000 1.085 130 S CA -0.608 57.625 58.200 0.055 0.000 1.096 130 S CB 0.372 63.592 63.200 0.032 0.000 0.988 130 S HN 0.471 nan 8.310 nan 0.000 0.466 131 I N 5.199 125.803 120.570 0.058 0.000 2.315 131 I HA 0.251 4.422 4.170 0.001 0.000 0.291 131 I C 1.457 177.590 176.117 0.026 0.000 1.006 131 I CA -0.118 61.203 61.300 0.034 0.000 1.265 131 I CB 0.634 38.639 38.000 0.007 0.000 1.387 131 I HN 0.598 nan 8.210 nan 0.000 0.475 132 T N 5.715 120.287 114.554 0.030 0.000 2.894 132 T HA 0.215 4.565 4.350 0.001 0.000 0.258 132 T C 1.125 175.838 174.700 0.021 0.000 1.043 132 T CA 0.717 62.833 62.100 0.027 0.000 1.141 132 T CB 0.184 69.072 68.868 0.033 0.000 0.873 132 T HN 0.318 nan 8.240 nan 0.000 0.449 133 L N 0.398 121.636 121.223 0.025 0.000 2.578 133 L HA 0.443 4.783 4.340 0.001 0.000 0.259 133 L C 0.506 177.385 176.870 0.014 0.000 1.082 133 L CA -1.190 53.664 54.840 0.024 0.000 0.843 133 L CB 0.346 42.429 42.059 0.039 0.000 1.535 133 L HN 0.007 nan 8.230 nan 0.000 0.510 134 Q N 0.420 120.230 119.800 0.018 0.000 2.262 134 Q HA -0.066 4.274 4.340 0.001 0.000 0.298 134 Q C 1.151 177.149 176.000 -0.004 0.000 1.083 134 Q CA 0.320 56.128 55.803 0.007 0.000 0.962 134 Q CB 0.857 29.607 28.738 0.021 0.000 1.104 134 Q HN 0.728 nan 8.270 nan 0.000 0.376 135 S N 3.452 119.127 115.700 -0.041 0.000 2.387 135 S HA -0.237 4.234 4.470 0.001 0.000 0.230 135 S C 0.331 174.841 174.600 -0.151 0.000 1.035 135 S CA 1.465 59.607 58.200 -0.098 0.000 1.014 135 S CB -0.134 62.993 63.200 -0.122 0.000 0.836 135 S HN 0.930 nan 8.310 nan 0.000 0.466 136 E N -0.767 119.388 120.200 -0.075 0.000 3.181 136 E HA -0.235 4.116 4.350 0.001 0.000 0.293 136 E C 1.301 177.809 176.600 -0.153 0.000 0.936 136 E CA 0.560 56.952 56.400 -0.013 0.000 0.975 136 E CB -2.844 26.961 29.700 0.174 0.000 1.496 136 E HN 0.926 nan 8.360 nan 0.000 0.429 137 C N -0.697 118.471 119.300 -0.221 0.000 2.403 137 C HA -0.142 4.318 4.460 0.001 0.000 0.279 137 C C 1.578 176.455 174.990 -0.189 0.000 1.269 137 C CA 1.233 60.085 59.018 -0.276 0.000 1.774 137 C CB -0.181 27.427 27.740 -0.221 0.000 1.993 137 C HN 0.284 nan 8.230 nan 0.000 0.496 138 D N 1.298 121.635 120.400 -0.105 0.000 2.363 138 D HA 0.390 5.030 4.640 0.001 0.000 0.214 138 D C 1.076 177.332 176.300 -0.073 0.000 1.093 138 D CA 0.777 54.722 54.000 -0.093 0.000 0.837 138 D CB 0.435 41.197 40.800 -0.063 0.000 0.948 138 D HN 0.737 nan 8.370 nan 0.000 0.507 139 A N 0.023 122.865 122.820 0.037 0.000 2.242 139 A HA 0.599 4.920 4.320 0.001 0.000 0.304 139 A C -0.477 177.175 177.584 0.113 0.000 1.100 139 A CA -0.406 51.710 52.037 0.131 0.000 0.860 139 A CB 0.551 19.708 19.000 0.262 0.000 1.168 139 A HN -0.037 nan 8.150 nan 0.000 0.503 140 F N 0.807 120.889 119.950 0.220 0.000 2.422 140 F HA 0.451 4.978 4.527 0.001 0.000 0.333 140 F C -1.531 174.224 175.800 -0.075 0.000 1.095 140 F CA -1.781 56.293 58.000 0.122 0.000 1.038 140 F CB 1.489 40.532 39.000 0.071 0.000 1.156 140 F HN 0.360 nan 8.300 nan 0.000 0.483 141 P HA 0.199 nan 4.420 nan 0.000 0.274 141 P C -1.432 175.713 177.300 -0.259 0.000 1.237 141 P CA -0.298 62.339 63.100 -0.771 0.000 0.793 141 P CB 1.308 32.300 31.700 -1.179 0.000 0.977 142 N N -0.034 118.528 118.700 -0.229 0.000 3.157 142 N HA 0.189 4.929 4.740 0.001 0.000 0.291 142 N C 0.526 176.019 175.510 -0.028 0.000 1.515 142 N CA -0.840 52.185 53.050 -0.041 0.000 0.807 142 N CB -0.328 38.182 38.487 0.038 0.000 1.672 142 N HN 0.153 nan 8.380 nan 0.000 0.592 143 I N -0.278 120.336 120.570 0.073 0.000 2.423 143 I HA -0.106 4.064 4.170 0.001 0.000 0.254 143 I C 1.076 177.224 176.117 0.051 0.000 1.151 143 I CA 1.625 62.967 61.300 0.070 0.000 1.421 143 I CB -0.389 37.680 38.000 0.115 0.000 1.079 143 I HN 0.610 nan 8.210 nan 0.000 0.431 144 S N -0.196 115.535 115.700 0.052 0.000 2.593 144 S HA 0.173 4.644 4.470 0.001 0.000 0.217 144 S C 0.903 175.526 174.600 0.038 0.000 0.966 144 S CA -0.084 58.147 58.200 0.051 0.000 0.914 144 S CB -0.274 62.965 63.200 0.066 0.000 0.776 144 S HN 0.411 nan 8.310 nan 0.000 0.523 145 S N 3.073 118.760 115.700 -0.021 0.000 2.546 145 S HA 0.007 4.477 4.470 0.001 0.000 0.290 145 S C -0.076 174.574 174.600 0.082 0.000 1.290 145 S CA -0.169 58.008 58.200 -0.038 0.000 1.069 145 S CB 0.298 63.255 63.200 -0.405 0.000 0.846 145 S HN 0.305 nan 8.310 nan 0.000 0.495 146 D N 2.176 122.699 120.400 0.206 0.000 2.339 146 D HA 0.103 4.743 4.640 0.001 0.000 0.241 146 D C 0.412 176.881 176.300 0.282 0.000 1.183 146 D CA -0.201 53.915 54.000 0.194 0.000 0.859 146 D CB 0.514 41.418 40.800 0.175 0.000 1.067 146 D HN 0.563 nan 8.370 nan 0.000 0.484 147 E N 1.284 121.625 120.200 0.236 0.000 2.463 147 E HA 0.045 4.395 4.350 0.001 0.000 0.193 147 E C 0.555 177.382 176.600 0.378 0.000 1.041 147 E CA -0.238 56.372 56.400 0.350 0.000 0.879 147 E CB 0.332 30.256 29.700 0.374 0.000 0.997 147 E HN 0.448 nan 8.360 nan 0.000 0.478 148 S N 0.804 116.640 115.700 0.225 0.000 2.593 148 S HA 0.289 4.760 4.470 0.001 0.000 0.269 148 S C -0.259 174.497 174.600 0.260 0.000 1.334 148 S CA -0.548 57.746 58.200 0.158 0.000 1.015 148 S CB 0.326 63.542 63.200 0.027 0.000 0.912 148 S HN 0.297 nan 8.310 nan 0.000 0.541 149 Y N -2.612 117.767 120.300 0.131 0.000 2.741 149 Y HA 0.697 5.247 4.550 0.001 0.000 0.339 149 Y C -1.150 174.802 175.900 0.086 0.000 1.226 149 Y CA -1.125 57.036 58.100 0.102 0.000 1.072 149 Y CB 0.751 39.277 38.460 0.109 0.000 1.331 149 Y HN 0.650 nan 8.280 nan 0.000 0.453 150 T N 3.115 117.775 114.554 0.177 0.000 2.893 150 T HA 0.606 4.957 4.350 0.001 0.000 0.293 150 T C -1.574 173.275 174.700 0.249 0.000 1.027 150 T CA -0.619 61.541 62.100 0.100 0.000 0.988 150 T CB 1.462 70.358 68.868 0.048 0.000 1.043 150 T HN 0.734 nan 8.240 nan 0.000 0.461 151 L N 3.617 124.976 121.223 0.227 0.000 2.372 151 L HA 0.577 4.917 4.340 0.001 0.000 0.274 151 L C -1.478 175.476 176.870 0.140 0.000 0.988 151 L CA -1.036 53.931 54.840 0.212 0.000 0.833 151 L CB 1.587 43.823 42.059 0.296 0.000 1.236 151 L HN 0.408 nan 8.230 nan 0.000 0.410 152 L N 6.218 127.504 121.223 0.105 0.000 2.301 152 L HA 0.423 4.764 4.340 0.001 0.000 0.278 152 L C -0.755 176.174 176.870 0.099 0.000 1.022 152 L CA -0.277 54.614 54.840 0.085 0.000 0.854 152 L CB 1.548 43.641 42.059 0.057 0.000 1.226 152 L HN 0.216 nan 8.230 nan 0.000 0.429 153 V N 6.595 126.580 119.914 0.120 0.000 2.353 153 V HA 0.500 4.621 4.120 0.001 0.000 0.264 153 V C 0.099 176.248 176.094 0.092 0.000 1.049 153 V CA -0.352 62.034 62.300 0.143 0.000 0.896 153 V CB 0.326 32.246 31.823 0.160 0.000 1.025 153 V HN 0.856 nan 8.190 nan 0.000 0.475 154 K N 3.426 123.878 120.400 0.087 0.000 2.548 154 K HA 0.747 5.067 4.320 0.001 0.000 0.282 154 K C -1.126 175.513 176.600 0.066 0.000 1.006 154 K CA -1.146 55.176 56.287 0.059 0.000 0.892 154 K CB 2.247 34.775 32.500 0.046 0.000 1.499 154 K HN 0.490 nan 8.250 nan 0.000 0.433 155 E N 0.344 120.574 120.200 0.050 0.000 2.242 155 E HA 0.340 4.690 4.350 0.001 0.000 0.275 155 E C -1.921 174.706 176.600 0.046 0.000 1.002 155 E CA -1.704 54.729 56.400 0.056 0.000 0.841 155 E CB 1.236 30.962 29.700 0.044 0.000 1.109 155 E HN 0.470 nan 8.360 nan 0.000 0.394 156 P HA 0.096 nan 4.420 nan 0.000 0.245 156 P C -0.512 176.833 177.300 0.076 0.000 1.203 156 P CA 0.069 63.207 63.100 0.064 0.000 0.792 156 P CB 0.494 32.224 31.700 0.049 0.000 0.997 157 V N 0.943 120.891 119.914 0.057 0.000 2.482 157 V HA 0.560 4.680 4.120 0.001 0.000 0.295 157 V C 0.186 176.306 176.094 0.043 0.000 1.026 157 V CA -1.100 61.227 62.300 0.045 0.000 0.856 157 V CB 1.417 33.245 31.823 0.008 0.000 1.001 157 V HN 0.130 nan 8.190 nan 0.000 0.424 158 A N 4.881 127.737 122.820 0.060 0.000 2.322 158 A HA 0.835 5.155 4.320 0.001 0.000 0.269 158 A C -0.473 177.091 177.584 -0.032 0.000 1.094 158 A CA -0.349 51.718 52.037 0.049 0.000 0.807 158 A CB 1.045 20.112 19.000 0.112 0.000 1.047 158 A HN 0.742 nan 8.150 nan 0.000 0.487 159 V N 1.928 121.830 119.914 -0.020 0.000 2.638 159 V HA 0.440 4.560 4.120 0.001 0.000 0.306 159 V C -1.014 175.063 176.094 -0.029 0.000 1.052 159 V CA -0.485 61.790 62.300 -0.042 0.000 0.885 159 V CB 1.493 33.311 31.823 -0.008 0.000 0.999 159 V HN 0.829 nan 8.190 nan 0.000 0.424 160 L N 4.875 126.060 121.223 -0.064 0.000 2.298 160 L HA 0.674 5.014 4.340 0.001 0.000 0.284 160 L C -0.480 176.406 176.870 0.026 0.000 1.013 160 L CA -0.211 54.617 54.840 -0.020 0.000 0.824 160 L CB 1.138 43.127 42.059 -0.117 0.000 1.221 160 L HN 0.702 nan 8.230 nan 0.000 0.418 161 K N 4.305 124.758 120.400 0.088 0.000 2.292 161 K HA 0.931 5.251 4.320 0.001 0.000 0.257 161 K C -1.494 175.186 176.600 0.134 0.000 0.940 161 K CA -0.370 55.968 56.287 0.086 0.000 0.811 161 K CB 1.619 34.158 32.500 0.065 0.000 1.120 161 K HN 0.823 nan 8.250 nan 0.000 0.428 162 A N 3.213 126.099 122.820 0.111 0.000 2.547 162 A HA 0.303 4.624 4.320 0.001 0.000 0.297 162 A C -0.370 177.269 177.584 0.092 0.000 1.056 162 A CA -0.854 51.265 52.037 0.137 0.000 0.688 162 A CB 1.270 20.370 19.000 0.167 0.000 1.282 162 A HN 0.846 nan 8.150 nan 0.000 0.400 163 N N 0.567 119.325 118.700 0.097 0.000 2.223 163 N HA -0.061 4.680 4.740 0.001 0.000 0.185 163 N C 0.355 175.903 175.510 0.063 0.000 1.016 163 N CA 1.212 54.308 53.050 0.075 0.000 0.863 163 N CB -0.065 38.472 38.487 0.083 0.000 0.983 163 N HN 0.606 nan 8.380 nan 0.000 0.429 164 R N -0.890 119.653 120.500 0.071 0.000 2.855 164 R HA 0.248 4.589 4.340 0.001 0.000 0.266 164 R C 1.380 177.603 176.300 -0.129 0.000 1.034 164 R CA -0.508 55.585 56.100 -0.013 0.000 0.944 164 R CB 0.421 30.783 30.300 0.103 0.000 1.219 164 R HN -0.118 nan 8.270 nan 0.000 0.474 165 V N -1.863 117.808 119.914 -0.406 0.000 2.490 165 V HA -0.159 3.961 4.120 0.001 0.000 0.250 165 V C 1.538 177.410 176.094 -0.369 0.000 1.061 165 V CA 1.301 63.326 62.300 -0.459 0.000 1.064 165 V CB -0.762 30.653 31.823 -0.681 0.000 0.670 165 V HN 0.727 nan 8.190 nan 0.000 0.461 166 W N 1.738 123.082 121.300 0.074 0.000 2.338 166 W HA 0.061 4.721 4.660 0.001 0.000 0.304 166 W C 2.704 179.302 176.519 0.132 0.000 1.212 166 W CA 1.033 58.437 57.345 0.099 0.000 1.264 166 W CB -1.059 28.468 29.460 0.111 0.000 1.142 166 W HN 0.334 nan 8.180 nan 0.000 0.512 167 G N 0.155 109.140 108.800 0.308 0.000 2.421 167 G HA2 -0.069 3.892 3.960 0.001 0.000 0.217 167 G HA3 -0.069 3.892 3.960 0.001 0.000 0.217 167 G C 1.652 176.651 174.900 0.165 0.000 1.143 167 G CA 0.984 46.281 45.100 0.328 0.000 0.784 167 G HN 0.306 nan 8.290 nan 0.000 0.541 168 A N 0.822 123.685 122.820 0.072 0.000 1.902 168 A HA 0.073 4.393 4.320 0.001 0.000 0.217 168 A C 2.406 179.942 177.584 -0.081 0.000 1.181 168 A CA 1.168 53.198 52.037 -0.012 0.000 0.623 168 A CB -0.413 18.596 19.000 0.015 0.000 0.818 168 A HN 0.347 nan 8.150 nan 0.000 0.443 169 L N -0.911 120.303 121.223 -0.014 0.000 1.989 169 L HA -0.239 4.101 4.340 0.001 0.000 0.211 169 L C 2.896 179.702 176.870 -0.106 0.000 1.071 169 L CA 1.421 56.257 54.840 -0.007 0.000 0.749 169 L CB -0.583 41.548 42.059 0.120 0.000 0.890 169 L HN 0.305 nan 8.230 nan 0.000 0.431 170 R N 0.219 120.680 120.500 -0.065 0.000 2.091 170 R HA -0.106 4.235 4.340 0.001 0.000 0.238 170 R C 2.265 178.220 176.300 -0.574 0.000 1.136 170 R CA 1.471 57.462 56.100 -0.182 0.000 0.959 170 R CB -1.424 28.927 30.300 0.084 0.000 0.856 170 R HN 0.450 nan 8.270 nan 0.000 0.437 171 G N 0.900 109.140 108.800 -0.933 0.000 2.422 171 G HA2 -0.171 3.789 3.960 0.001 0.000 0.218 171 G HA3 -0.171 3.789 3.960 0.001 0.000 0.218 171 G C 1.636 176.215 174.900 -0.536 0.000 1.140 171 G CA 0.181 44.539 45.100 -1.236 0.000 0.775 171 G HN 0.182 nan 8.290 nan 0.000 0.545 172 L N -0.038 120.907 121.223 -0.463 0.000 2.056 172 L HA -0.031 4.309 4.340 0.001 0.000 0.207 172 L C 2.792 179.276 176.870 -0.642 0.000 1.078 172 L CA 1.384 55.910 54.840 -0.523 0.000 0.749 172 L CB -0.223 41.422 42.059 -0.689 0.000 0.901 172 L HN 0.243 nan 8.230 nan 0.000 0.433 173 E N 0.016 119.856 120.200 -0.601 0.000 2.077 173 E HA -0.185 4.165 4.350 0.001 0.000 0.193 173 E C 1.979 178.509 176.600 -0.117 0.000 0.989 173 E CA 2.026 58.288 56.400 -0.230 0.000 0.800 173 E CB -0.184 29.501 29.700 -0.024 0.000 0.746 173 E HN 0.269 nan 8.360 nan 0.000 0.452 174 T N 0.345 114.796 114.554 -0.172 0.000 2.708 174 T HA -0.139 4.211 4.350 0.001 0.000 0.266 174 T C 1.459 176.150 174.700 -0.014 0.000 1.037 174 T CA 1.310 63.364 62.100 -0.077 0.000 1.146 174 T CB -0.610 68.243 68.868 -0.026 0.000 0.865 174 T HN 0.251 nan 8.240 nan 0.000 0.435 175 F N 2.763 122.623 119.950 -0.150 0.000 2.065 175 F HA -0.216 4.311 4.527 0.001 0.000 0.298 175 F C 2.698 178.448 175.800 -0.083 0.000 1.112 175 F CA 1.808 59.748 58.000 -0.099 0.000 1.212 175 F CB -0.749 38.183 39.000 -0.113 0.000 0.975 175 F HN 0.228 nan 8.300 nan 0.000 0.476 176 S N -0.387 115.305 115.700 -0.013 0.000 2.419 176 S HA -0.282 4.189 4.470 0.001 0.000 0.235 176 S C 1.759 176.280 174.600 -0.131 0.000 1.019 176 S CA 1.514 59.678 58.200 -0.060 0.000 0.982 176 S CB -0.850 62.470 63.200 0.199 0.000 0.789 176 S HN 0.708 nan 8.310 nan 0.000 0.490 177 Q N -0.308 119.433 119.800 -0.097 0.000 2.378 177 Q HA 0.188 4.529 4.340 0.001 0.000 0.205 177 Q C 1.486 177.431 176.000 -0.093 0.000 0.954 177 Q CA 0.368 56.125 55.803 -0.077 0.000 0.901 177 Q CB -0.125 28.590 28.738 -0.038 0.000 0.981 177 Q HN 0.401 nan 8.270 nan 0.000 0.483 178 L N -0.218 120.905 121.223 -0.167 0.000 2.270 178 L HA 0.041 4.382 4.340 0.001 0.000 0.210 178 L C 0.756 177.541 176.870 -0.143 0.000 1.104 178 L CA 0.766 55.515 54.840 -0.150 0.000 0.804 178 L CB -0.093 41.831 42.059 -0.223 0.000 0.937 178 L HN -0.072 nan 8.230 nan 0.000 0.450 179 V N 0.175 119.898 119.914 -0.318 0.000 2.775 179 V HA 0.187 4.307 4.120 0.001 0.000 0.299 179 V C -0.135 175.927 176.094 -0.053 0.000 1.062 179 V CA -0.318 61.797 62.300 -0.308 0.000 1.063 179 V CB 0.584 32.114 31.823 -0.489 0.000 0.994 179 V HN 0.391 nan 8.190 nan 0.000 0.483 180 Y N 1.205 121.431 120.300 -0.123 0.000 2.725 180 Y HA 0.673 5.223 4.550 0.001 0.000 0.333 180 Y C -0.961 174.872 175.900 -0.112 0.000 1.242 180 Y CA -1.422 56.614 58.100 -0.106 0.000 1.059 180 Y CB 1.418 39.812 38.460 -0.111 0.000 1.306 180 Y HN 0.452 nan 8.280 nan 0.000 0.454 181 Q N 2.124 121.924 119.800 0.000 0.000 2.316 181 Q HA 0.291 4.631 4.340 0.001 0.000 0.264 181 Q C -1.090 174.939 176.000 0.048 0.000 0.987 181 Q CA -1.078 54.607 55.803 -0.197 0.000 0.852 181 Q CB 2.030 30.537 28.738 -0.385 0.000 1.287 181 Q HN 0.763 nan 8.270 nan 0.000 0.448 182 D N 0.159 120.577 120.400 0.030 0.000 2.398 182 D HA 0.012 4.653 4.640 0.001 0.000 0.264 182 D C 0.507 176.815 176.300 0.014 0.000 1.263 182 D CA -0.376 53.703 54.000 0.133 0.000 1.037 182 D CB 0.328 41.235 40.800 0.178 0.000 1.101 182 D HN 0.266 nan 8.370 nan 0.000 0.551 183 S N -1.717 113.967 115.700 -0.026 0.000 2.465 183 S HA -0.155 4.315 4.470 0.001 0.000 0.241 183 S C 0.733 175.047 174.600 -0.476 0.000 1.000 183 S CA 0.827 58.870 58.200 -0.262 0.000 0.964 183 S CB -0.565 62.412 63.200 -0.372 0.000 0.763 183 S HN 0.456 nan 8.310 nan 0.000 0.512 184 Y N -0.260 120.013 120.300 -0.046 0.000 2.584 184 Y HA 0.389 4.940 4.550 0.001 0.000 0.254 184 Y C 1.610 177.455 175.900 -0.093 0.000 1.177 184 Y CA -0.081 57.983 58.100 -0.060 0.000 1.216 184 Y CB 0.273 38.700 38.460 -0.055 0.000 1.172 184 Y HN 0.214 nan 8.280 nan 0.000 0.529 185 G N 0.090 108.860 108.800 -0.051 0.000 2.176 185 G HA2 -0.283 3.677 3.960 0.001 0.000 0.253 185 G HA3 -0.283 3.677 3.960 0.001 0.000 0.253 185 G C 0.201 174.937 174.900 -0.274 0.000 0.979 185 G CA 0.267 45.265 45.100 -0.170 0.000 0.641 185 G HN 0.246 nan 8.290 nan 0.000 0.530 186 T N 1.640 116.107 114.554 -0.144 0.000 2.799 186 T HA 0.433 4.783 4.350 0.001 0.000 0.296 186 T C 0.368 174.961 174.700 -0.177 0.000 0.947 186 T CA 0.030 62.052 62.100 -0.129 0.000 1.141 186 T CB 0.337 69.139 68.868 -0.111 0.000 0.891 186 T HN 0.204 nan 8.240 nan 0.000 0.533 187 F N 3.075 123.019 119.950 -0.010 0.000 2.541 187 F HA 0.249 4.776 4.527 0.001 0.000 0.378 187 F C 1.408 177.143 175.800 -0.108 0.000 1.068 187 F CA 0.019 57.981 58.000 -0.062 0.000 1.199 187 F CB 0.280 39.312 39.000 0.054 0.000 1.091 187 F HN 0.433 nan 8.300 nan 0.000 0.555 188 T N 5.268 119.666 114.554 -0.260 0.000 2.906 188 T HA 0.696 5.047 4.350 0.001 0.000 0.295 188 T C -1.098 173.180 174.700 -0.703 0.000 1.061 188 T CA -0.681 61.139 62.100 -0.466 0.000 1.000 188 T CB 2.174 70.678 68.868 -0.607 0.000 1.103 188 T HN 0.488 nan 8.240 nan 0.000 0.486 189 I N 1.770 122.071 120.570 -0.449 0.000 2.722 189 I HA 0.398 4.568 4.170 0.001 0.000 0.292 189 I C -1.447 174.591 176.117 -0.131 0.000 1.267 189 I CA -0.862 60.272 61.300 -0.276 0.000 1.036 189 I CB 2.119 39.951 38.000 -0.280 0.000 1.281 189 I HN 0.517 nan 8.210 nan 0.000 0.423 190 N N 5.082 123.779 118.700 -0.005 0.000 2.530 190 N HA 0.137 4.877 4.740 0.001 0.000 0.273 190 N C -0.686 174.827 175.510 0.004 0.000 1.173 190 N CA -0.215 52.844 53.050 0.015 0.000 0.967 190 N CB 0.714 39.236 38.487 0.059 0.000 1.109 190 N HN 0.512 nan 8.380 nan 0.000 0.453 191 E N 0.981 121.183 120.200 0.002 0.000 2.376 191 E HA 0.210 4.561 4.350 0.001 0.000 0.266 191 E C -0.805 175.813 176.600 0.030 0.000 1.009 191 E CA -0.024 56.386 56.400 0.018 0.000 0.902 191 E CB 0.284 29.991 29.700 0.013 0.000 0.972 191 E HN 0.694 nan 8.360 nan 0.000 0.439 192 S N 2.415 118.142 115.700 0.045 0.000 2.615 192 S HA 0.460 4.930 4.470 0.001 0.000 0.268 192 S C -1.004 173.632 174.600 0.060 0.000 1.146 192 S CA -1.058 57.170 58.200 0.047 0.000 0.818 192 S CB 1.907 65.135 63.200 0.047 0.000 1.111 192 S HN 0.377 nan 8.310 nan 0.000 0.465 193 T N 1.382 115.968 114.554 0.053 0.000 2.881 193 T HA 0.671 5.021 4.350 0.001 0.000 0.290 193 T C -0.991 173.743 174.700 0.056 0.000 1.000 193 T CA -0.499 61.635 62.100 0.056 0.000 0.978 193 T CB 0.776 69.667 68.868 0.038 0.000 0.997 193 T HN 0.631 nan 8.240 nan 0.000 0.443 194 I N 3.571 124.185 120.570 0.073 0.000 2.533 194 I HA 0.528 4.698 4.170 0.001 0.000 0.290 194 I C -0.966 175.152 176.117 0.001 0.000 1.056 194 I CA -0.931 60.406 61.300 0.061 0.000 1.057 194 I CB 2.196 40.278 38.000 0.136 0.000 1.240 194 I HN 0.484 nan 8.210 nan 0.000 0.423 195 I N 4.786 125.319 120.570 -0.062 0.000 2.466 195 I HA 0.426 4.597 4.170 0.001 0.000 0.289 195 I C -1.191 174.806 176.117 -0.200 0.000 1.026 195 I CA -0.287 60.928 61.300 -0.142 0.000 1.078 195 I CB 2.068 40.021 38.000 -0.079 0.000 1.249 195 I HN 0.458 nan 8.210 nan 0.000 0.429 196 D N 3.862 124.021 120.400 -0.401 0.000 2.661 196 D HA 0.720 5.360 4.640 0.001 0.000 0.228 196 D C -1.419 174.750 176.300 -0.218 0.000 1.210 196 D CA -0.120 53.716 54.000 -0.273 0.000 0.826 196 D CB 2.385 42.998 40.800 -0.311 0.000 1.542 196 D HN 0.547 nan 8.370 nan 0.000 0.447 197 S N 1.259 116.879 115.700 -0.134 0.000 2.556 197 S HA 0.617 5.087 4.470 0.001 0.000 0.280 197 S C -3.104 170.977 174.600 -0.865 0.000 1.141 197 S CA -1.164 56.839 58.200 -0.329 0.000 0.883 197 S CB 2.171 65.229 63.200 -0.237 0.000 1.103 197 S HN 0.274 nan 8.310 nan 0.000 0.453 198 P HA 0.265 nan 4.420 nan 0.000 0.275 198 P C 0.374 177.210 177.300 -0.773 0.000 1.227 198 P CA -0.444 61.723 63.100 -1.555 0.000 0.781 198 P CB 1.151 32.144 31.700 -1.178 0.000 0.906 199 R N 1.977 122.061 120.500 -0.693 0.000 2.066 199 R HA -0.010 4.330 4.340 0.001 0.000 0.232 199 R C 0.071 175.908 176.300 -0.771 0.000 1.131 199 R CA 1.266 56.946 56.100 -0.701 0.000 0.955 199 R CB -0.097 29.755 30.300 -0.747 0.000 0.851 199 R HN 0.390 nan 8.270 nan 0.000 0.432 200 F N -1.241 118.659 119.950 -0.084 0.000 2.546 200 F HA 0.353 4.881 4.527 0.001 0.000 0.320 200 F C 1.038 176.834 175.800 -0.007 0.000 1.076 200 F CA -0.855 57.161 58.000 0.026 0.000 0.928 200 F CB 2.240 41.335 39.000 0.158 0.000 1.189 200 F HN -0.215 nan 8.300 nan 0.000 0.465 201 S N -0.837 115.002 115.700 0.232 0.000 2.446 201 S HA -0.094 4.377 4.470 0.001 0.000 0.225 201 S C 0.170 174.863 174.600 0.155 0.000 1.016 201 S CA 0.508 58.788 58.200 0.133 0.000 0.943 201 S CB -0.357 62.903 63.200 0.100 0.000 0.786 201 S HN 0.606 nan 8.310 nan 0.000 0.508 202 H N 1.662 120.779 119.070 0.079 0.000 2.581 202 H HA 0.429 4.986 4.556 0.001 0.000 0.308 202 H C -0.479 174.903 175.328 0.090 0.000 1.040 202 H CA -0.595 55.477 56.048 0.040 0.000 1.231 202 H CB 0.193 29.923 29.762 -0.054 0.000 1.396 202 H HN -0.010 nan 8.280 nan 0.000 0.467 203 R N 4.420 124.987 120.500 0.111 0.000 2.472 203 R HA 0.353 4.693 4.340 0.001 0.000 0.294 203 R C -0.631 175.859 176.300 0.317 0.000 1.243 203 R CA -0.669 55.540 56.100 0.181 0.000 1.023 203 R CB 1.685 32.019 30.300 0.057 0.000 1.157 203 R HN 0.663 nan 8.270 nan 0.000 0.530 204 G N 2.073 111.094 108.800 0.368 0.000 2.685 204 G HA2 0.666 4.626 3.960 0.001 0.000 0.298 204 G HA3 0.666 4.626 3.960 0.001 0.000 0.298 204 G C -0.802 174.195 174.900 0.161 0.000 1.277 204 G CA -0.473 44.797 45.100 0.283 0.000 0.986 204 G HN 0.218 nan 8.290 nan 0.000 0.487 205 I N 0.637 121.163 120.570 -0.072 0.000 2.498 205 I HA 0.366 4.536 4.170 0.001 0.000 0.290 205 I C -0.673 175.308 176.117 -0.227 0.000 1.032 205 I CA -0.577 60.543 61.300 -0.301 0.000 1.073 205 I CB 1.577 39.305 38.000 -0.452 0.000 1.251 205 I HN 0.373 nan 8.210 nan 0.000 0.426 206 L N 8.060 129.072 121.223 -0.353 0.000 2.282 206 L HA 0.645 4.985 4.340 0.001 0.000 0.288 206 L C -0.488 176.068 176.870 -0.523 0.000 1.033 206 L CA -0.442 54.103 54.840 -0.492 0.000 0.807 206 L CB 1.058 42.609 42.059 -0.847 0.000 1.209 206 L HN 0.585 nan 8.230 nan 0.000 0.423 207 I N 0.981 121.322 120.570 -0.381 0.000 2.693 207 I HA 0.588 4.759 4.170 0.001 0.000 0.303 207 I C -1.293 174.696 176.117 -0.213 0.000 1.025 207 I CA -0.705 60.406 61.300 -0.316 0.000 1.086 207 I CB 1.991 39.824 38.000 -0.279 0.000 1.268 207 I HN 0.483 nan 8.210 nan 0.000 0.440 208 D N 3.420 123.740 120.400 -0.132 0.000 2.471 208 D HA 0.253 4.894 4.640 0.001 0.000 0.245 208 D C 0.236 176.634 176.300 0.163 0.000 1.116 208 D CA -0.423 53.602 54.000 0.042 0.000 0.853 208 D CB 1.701 42.508 40.800 0.011 0.000 1.123 208 D HN 0.755 nan 8.370 nan 0.000 0.540 209 T N -0.007 114.710 114.554 0.271 0.000 3.214 209 T HA 0.147 4.498 4.350 0.001 0.000 0.264 209 T C 1.127 176.029 174.700 0.336 0.000 1.012 209 T CA -0.104 62.201 62.100 0.342 0.000 0.901 209 T CB 0.311 69.515 68.868 0.559 0.000 1.070 209 T HN 0.140 nan 8.240 nan 0.000 0.561 210 S N 0.760 116.615 115.700 0.259 0.000 2.591 210 S HA 0.158 4.629 4.470 0.001 0.000 0.235 210 S C 2.014 176.718 174.600 0.173 0.000 1.074 210 S CA -0.151 58.152 58.200 0.171 0.000 0.925 210 S CB -0.025 63.263 63.200 0.146 0.000 0.818 210 S HN 0.294 nan 8.310 nan 0.000 0.535 211 R N 0.686 121.288 120.500 0.171 0.000 2.096 211 R HA 0.195 4.535 4.340 0.001 0.000 0.235 211 R C 0.018 176.278 176.300 -0.067 0.000 1.127 211 R CA 1.269 57.401 56.100 0.054 0.000 0.968 211 R CB -0.458 29.866 30.300 0.040 0.000 0.861 211 R HN 0.554 nan 8.270 nan 0.000 0.440 212 H N -3.215 116.023 119.070 0.280 0.000 2.974 212 H HA 0.225 4.781 4.556 0.001 0.000 0.366 212 H C -1.599 173.946 175.328 0.362 0.000 1.155 212 H CA -0.944 55.282 56.048 0.296 0.000 1.186 212 H CB 1.401 31.254 29.762 0.153 0.000 1.799 212 H HN -0.001 nan 8.280 nan 0.000 0.541 213 Y N 2.968 123.539 120.300 0.451 0.000 2.346 213 Y HA 0.404 4.955 4.550 0.001 0.000 0.330 213 Y C -1.079 175.008 175.900 0.312 0.000 1.178 213 Y CA -0.339 57.993 58.100 0.387 0.000 1.331 213 Y CB 0.522 39.247 38.460 0.441 0.000 1.253 213 Y HN 0.442 nan 8.280 nan 0.000 0.529 214 L N 8.561 129.585 121.223 -0.333 0.000 2.349 214 L HA 0.447 4.787 4.340 0.001 0.000 0.278 214 L C -2.419 174.222 176.870 -0.383 0.000 0.996 214 L CA -2.341 52.378 54.840 -0.202 0.000 0.825 214 L CB 1.752 43.758 42.059 -0.087 0.000 1.243 214 L HN 0.568 nan 8.230 nan 0.000 0.412 215 P HA 0.000 nan 4.420 nan 0.000 0.266 215 P C 1.035 178.328 177.300 -0.012 0.000 1.195 215 P CA -0.247 62.864 63.100 0.018 0.000 0.768 215 P CB 0.911 32.652 31.700 0.069 0.000 0.838 216 V N 3.376 123.331 119.914 0.069 0.000 2.453 216 V HA -0.291 3.830 4.120 0.001 0.000 0.252 216 V C 2.322 178.349 176.094 -0.111 0.000 1.068 216 V CA 1.985 64.281 62.300 -0.007 0.000 1.070 216 V CB -0.949 30.910 31.823 0.059 0.000 0.664 216 V HN 0.702 nan 8.190 nan 0.000 0.461 217 K N -0.195 120.160 120.400 -0.074 0.000 2.103 217 K HA -0.186 4.134 4.320 0.001 0.000 0.207 217 K C 2.113 178.639 176.600 -0.122 0.000 1.048 217 K CA 1.865 58.088 56.287 -0.106 0.000 0.930 217 K CB -0.186 32.281 32.500 -0.055 0.000 0.716 217 K HN 0.492 nan 8.250 nan 0.000 0.444 218 I N 0.684 121.196 120.570 -0.098 0.000 2.761 218 I HA -0.145 4.025 4.170 0.001 0.000 0.261 218 I C 1.701 177.731 176.117 -0.144 0.000 1.198 218 I CA 0.499 61.742 61.300 -0.095 0.000 1.482 218 I CB 0.161 38.125 38.000 -0.060 0.000 1.100 218 I HN 0.213 nan 8.210 nan 0.000 0.445 219 I N 0.436 120.880 120.570 -0.209 0.000 2.315 219 I HA -0.289 3.881 4.170 0.001 0.000 0.248 219 I C 2.240 178.195 176.117 -0.269 0.000 1.117 219 I CA 1.199 62.319 61.300 -0.299 0.000 1.404 219 I CB -0.221 37.498 38.000 -0.469 0.000 1.071 219 I HN 0.213 nan 8.210 nan 0.000 0.419 220 L N 0.418 121.452 121.223 -0.314 0.000 2.093 220 L HA -0.196 4.144 4.340 0.001 0.000 0.208 220 L C 2.553 179.299 176.870 -0.208 0.000 1.085 220 L CA 1.301 55.875 54.840 -0.443 0.000 0.755 220 L CB -0.606 40.951 42.059 -0.835 0.000 0.904 220 L HN 0.183 nan 8.230 nan 0.000 0.435 221 K N -0.044 120.263 120.400 -0.156 0.000 2.057 221 K HA -0.147 4.173 4.320 0.001 0.000 0.207 221 K C 2.069 178.614 176.600 -0.092 0.000 1.049 221 K CA 1.824 58.058 56.287 -0.088 0.000 0.931 221 K CB -0.064 32.400 32.500 -0.060 0.000 0.714 221 K HN 0.157 nan 8.250 nan 0.000 0.440 222 T N 1.411 115.929 114.554 -0.061 0.000 2.720 222 T HA -0.133 4.217 4.350 0.001 0.000 0.268 222 T C 1.670 176.347 174.700 -0.038 0.000 1.037 222 T CA 1.299 63.409 62.100 0.018 0.000 1.144 222 T CB -0.167 68.696 68.868 -0.010 0.000 0.864 222 T HN 0.138 nan 8.240 nan 0.000 0.444 223 L N 0.830 122.021 121.223 -0.053 0.000 2.083 223 L HA -0.129 4.211 4.340 0.001 0.000 0.209 223 L C 2.503 179.307 176.870 -0.111 0.000 1.083 223 L CA 1.129 55.964 54.840 -0.009 0.000 0.752 223 L CB -0.518 41.619 42.059 0.130 0.000 0.899 223 L HN 0.213 nan 8.230 nan 0.000 0.433 224 D N 0.071 120.361 120.400 -0.183 0.000 2.117 224 D HA -0.134 4.506 4.640 0.001 0.000 0.198 224 D C 2.241 177.854 176.300 -1.146 0.000 0.982 224 D CA 1.497 55.166 54.000 -0.552 0.000 0.828 224 D CB 0.058 40.624 40.800 -0.391 0.000 0.967 224 D HN 0.315 nan 8.370 nan 0.000 0.464 225 A N 0.794 123.117 122.820 -0.827 0.000 1.933 225 A HA -0.160 4.160 4.320 0.001 0.000 0.218 225 A C 2.275 179.369 177.584 -0.817 0.000 1.175 225 A CA 1.238 52.673 52.037 -1.005 0.000 0.628 225 A CB -0.519 17.704 19.000 -1.294 0.000 0.814 225 A HN 0.143 nan 8.150 nan 0.000 0.444 226 M N -0.643 118.734 119.600 -0.372 0.000 2.117 226 M HA -0.143 4.338 4.480 0.001 0.000 0.262 226 M C 2.541 178.877 176.300 0.060 0.000 1.065 226 M CA 1.460 56.784 55.300 0.041 0.000 1.114 226 M CB -0.374 32.298 32.600 0.121 0.000 1.361 226 M HN 0.476 nan 8.290 nan 0.000 0.408 227 A N 0.174 122.920 122.820 -0.124 0.000 1.933 227 A HA -0.153 4.167 4.320 0.001 0.000 0.218 227 A C 1.729 179.355 177.584 0.070 0.000 1.175 227 A CA 1.483 53.501 52.037 -0.031 0.000 0.628 227 A CB -0.929 18.019 19.000 -0.087 0.000 0.814 227 A HN 0.438 nan 8.150 nan 0.000 0.444 228 F N 0.382 120.313 119.950 -0.032 0.000 2.365 228 F HA -0.042 4.485 4.527 0.001 0.000 0.300 228 F C 1.797 177.652 175.800 0.093 0.000 1.090 228 F CA 0.523 58.504 58.000 -0.031 0.000 1.408 228 F CB -0.589 38.298 39.000 -0.188 0.000 1.060 228 F HN 0.283 nan 8.300 nan 0.000 0.534 229 N N 0.163 119.035 118.700 0.286 0.000 2.214 229 N HA 0.005 4.746 4.740 0.001 0.000 0.214 229 N C 0.183 175.825 175.510 0.221 0.000 1.132 229 N CA 0.086 53.367 53.050 0.385 0.000 0.856 229 N CB 0.271 39.145 38.487 0.644 0.000 1.020 229 N HN 0.184 nan 8.380 nan 0.000 0.509 230 K N 0.177 120.654 120.400 0.129 0.000 3.088 230 K HA -0.187 4.134 4.320 0.001 0.000 0.273 230 K C -0.624 176.069 176.600 0.155 0.000 1.111 230 K CA 0.557 56.871 56.287 0.045 0.000 0.803 230 K CB -1.726 30.594 32.500 -0.300 0.000 1.226 230 K HN 0.122 nan 8.250 nan 0.000 0.485 231 F N 1.606 121.662 119.950 0.177 0.000 2.418 231 F HA 0.058 4.585 4.527 0.001 0.000 0.341 231 F C 1.698 177.575 175.800 0.129 0.000 1.120 231 F CA 0.211 58.316 58.000 0.175 0.000 1.232 231 F CB 0.498 39.607 39.000 0.181 0.000 1.175 231 F HN 0.156 nan 8.300 nan 0.000 0.569 232 N N -0.027 118.833 118.700 0.266 0.000 2.170 232 N HA 0.134 4.875 4.740 0.001 0.000 0.222 232 N C -1.212 174.328 175.510 0.051 0.000 1.218 232 N CA 0.184 53.321 53.050 0.145 0.000 0.889 232 N CB 0.333 38.887 38.487 0.111 0.000 1.083 232 N HN 0.170 nan 8.380 nan 0.000 0.520 233 V N 1.503 121.445 119.914 0.046 0.000 2.577 233 V HA 0.403 4.523 4.120 0.001 0.000 0.303 233 V C -1.156 174.947 176.094 0.014 0.000 1.042 233 V CA -0.948 61.318 62.300 -0.056 0.000 0.872 233 V CB 2.145 33.761 31.823 -0.345 0.000 0.998 233 V HN 0.161 nan 8.190 nan 0.000 0.423 234 L N 4.772 126.010 121.223 0.026 0.000 2.264 234 L HA 0.502 4.842 4.340 0.001 0.000 0.287 234 L C -0.041 176.882 176.870 0.088 0.000 1.039 234 L CA 0.071 54.921 54.840 0.016 0.000 0.829 234 L CB 0.577 42.624 42.059 -0.021 0.000 1.211 234 L HN 0.787 nan 8.230 nan 0.000 0.427 235 H N 5.274 124.321 119.070 -0.039 0.000 2.911 235 H HA 0.101 4.658 4.556 0.001 0.000 0.273 235 H C -1.165 174.162 175.328 -0.002 0.000 1.157 235 H CA -0.667 55.370 56.048 -0.019 0.000 1.402 235 H CB 0.413 30.149 29.762 -0.043 0.000 1.463 235 H HN 0.723 nan 8.280 nan 0.000 0.475 236 W N 7.191 128.520 121.300 0.049 0.000 2.360 236 W HA 0.099 4.759 4.660 0.001 0.000 0.344 236 W C -0.677 175.772 176.519 -0.117 0.000 1.025 236 W CA -1.025 56.269 57.345 -0.085 0.000 1.480 236 W CB -0.780 28.590 29.460 -0.150 0.000 1.350 236 W HN 0.706 nan 8.180 nan 0.000 0.382 237 H N 5.676 124.821 119.070 0.124 0.000 3.092 237 H HA 0.096 4.652 4.556 0.001 0.000 0.263 237 H C 1.460 176.755 175.328 -0.055 0.000 1.611 237 H CA 0.328 56.352 56.048 -0.039 0.000 1.457 237 H CB 0.049 29.735 29.762 -0.126 0.000 1.731 237 H HN 0.590 nan 8.280 nan 0.000 0.532 238 I N 3.598 123.868 120.570 -0.499 0.000 2.353 238 I HA -0.083 4.087 4.170 0.001 0.000 0.248 238 I C -0.054 175.821 176.117 -0.403 0.000 1.119 238 I CA 0.732 61.678 61.300 -0.590 0.000 1.417 238 I CB 0.348 37.548 38.000 -1.334 0.000 1.078 238 I HN 0.401 nan 8.210 nan 0.000 0.421 239 V N -2.344 117.238 119.914 -0.554 0.000 3.074 239 V HA 0.641 4.761 4.120 0.001 0.000 0.314 239 V C -0.749 175.307 176.094 -0.063 0.000 1.117 239 V CA -0.748 61.343 62.300 -0.348 0.000 1.014 239 V CB 1.849 33.269 31.823 -0.672 0.000 1.057 239 V HN 0.169 nan 8.190 nan 0.000 0.438 240 D N -0.597 119.898 120.400 0.159 0.000 3.182 240 D HA 0.142 4.783 4.640 0.001 0.000 0.352 240 D C -0.144 176.335 176.300 0.300 0.000 1.421 240 D CA -0.087 54.105 54.000 0.319 0.000 0.912 240 D CB 1.821 42.836 40.800 0.359 0.000 1.461 240 D HN 0.579 nan 8.370 nan 0.000 0.548 241 D N -0.121 120.432 120.400 0.255 0.000 2.117 241 D HA -0.143 4.497 4.640 0.001 0.000 0.197 241 D C 1.649 178.001 176.300 0.088 0.000 0.987 241 D CA 1.608 55.701 54.000 0.156 0.000 0.829 241 D CB 0.143 40.995 40.800 0.087 0.000 0.961 241 D HN 0.235 nan 8.370 nan 0.000 0.460 242 Q N 0.077 119.908 119.800 0.051 0.000 2.230 242 Q HA 0.023 4.363 4.340 0.001 0.000 0.202 242 Q C 0.498 176.346 176.000 -0.254 0.000 0.963 242 Q CA 0.329 56.114 55.803 -0.030 0.000 0.866 242 Q CB 0.294 29.055 28.738 0.037 0.000 0.931 242 Q HN 0.228 nan 8.270 nan 0.000 0.452 243 S N -1.891 113.666 115.700 -0.238 0.000 2.578 243 S HA 0.500 4.970 4.470 0.001 0.000 0.272 243 S C -1.605 172.949 174.600 -0.077 0.000 1.145 243 S CA -1.018 56.959 58.200 -0.372 0.000 0.835 243 S CB 0.288 62.859 63.200 -1.048 0.000 1.104 243 S HN 0.106 nan 8.310 nan 0.000 0.458 244 F N 3.426 123.279 119.950 -0.161 0.000 2.451 244 F HA 0.523 5.050 4.527 0.001 0.000 0.367 244 F C -1.976 173.818 175.800 -0.009 0.000 1.100 244 F CA -2.019 55.926 58.000 -0.092 0.000 1.171 244 F CB 2.101 41.005 39.000 -0.160 0.000 1.405 244 F HN 0.463 nan 8.300 nan 0.000 0.482 245 P HA -0.148 nan 4.420 nan 0.000 0.227 245 P C 0.158 177.599 177.300 0.235 0.000 1.161 245 P CA 0.658 63.852 63.100 0.157 0.000 0.788 245 P CB -0.103 31.747 31.700 0.250 0.000 0.822 246 Y N 2.186 122.511 120.300 0.041 0.000 2.569 246 Y HA 0.080 4.630 4.550 0.001 0.000 0.332 246 Y C 0.682 176.780 175.900 0.329 0.000 1.120 246 Y CA -0.065 58.128 58.100 0.154 0.000 1.416 246 Y CB 0.107 38.590 38.460 0.038 0.000 1.210 246 Y HN -0.110 nan 8.280 nan 0.000 0.528 247 Q N 5.077 124.613 119.800 -0.440 0.000 2.361 247 Q HA 0.173 4.514 4.340 0.001 0.000 0.250 247 Q C -0.626 174.997 176.000 -0.627 0.000 1.023 247 Q CA -0.311 55.293 55.803 -0.332 0.000 0.915 247 Q CB 0.589 29.227 28.738 -0.168 0.000 1.238 247 Q HN 0.701 nan 8.270 nan 0.000 0.451 248 S N 3.942 119.528 115.700 -0.190 0.000 2.475 248 S HA 0.272 4.743 4.470 0.001 0.000 0.281 248 S C 1.007 175.621 174.600 0.024 0.000 1.198 248 S CA -0.523 57.709 58.200 0.053 0.000 1.063 248 S CB 0.539 64.037 63.200 0.497 0.000 0.972 248 S HN 0.792 nan 8.310 nan 0.000 0.486 249 I N 3.870 124.430 120.570 -0.017 0.000 2.617 249 I HA -0.087 4.084 4.170 0.001 0.000 0.256 249 I C 2.419 178.493 176.117 -0.072 0.000 1.167 249 I CA 1.265 62.539 61.300 -0.042 0.000 1.469 249 I CB -0.245 37.724 38.000 -0.052 0.000 1.098 249 I HN 0.812 nan 8.210 nan 0.000 0.436 250 T N -2.521 111.968 114.554 -0.108 0.000 3.067 250 T HA 0.029 4.380 4.350 0.001 0.000 0.261 250 T C 0.541 174.889 174.700 -0.588 0.000 1.110 250 T CA 0.460 62.354 62.100 -0.343 0.000 1.113 250 T CB -0.214 68.393 68.868 -0.435 0.000 0.917 250 T HN 0.135 nan 8.240 nan 0.000 0.499 251 F N 1.849 121.859 119.950 0.099 0.000 2.708 251 F HA 0.372 4.899 4.527 0.001 0.000 0.344 251 F C -1.872 173.951 175.800 0.039 0.000 1.447 251 F CA -2.306 55.757 58.000 0.104 0.000 1.140 251 F CB 1.810 40.940 39.000 0.217 0.000 1.657 251 F HN -0.098 nan 8.300 nan 0.000 0.598 252 P HA -0.212 nan 4.420 nan 0.000 0.218 252 P C 1.019 178.340 177.300 0.035 0.000 1.146 252 P CA 1.536 64.669 63.100 0.054 0.000 0.813 252 P CB 0.471 32.181 31.700 0.016 0.000 0.778 253 E N -0.364 119.860 120.200 0.041 0.000 2.347 253 E HA -0.004 4.346 4.350 0.001 0.000 0.196 253 E C 2.222 178.758 176.600 -0.106 0.000 1.008 253 E CA 0.259 56.646 56.400 -0.022 0.000 0.852 253 E CB -0.715 28.974 29.700 -0.019 0.000 0.783 253 E HN 0.371 nan 8.360 nan 0.000 0.505 254 L N 0.993 122.122 121.223 -0.157 0.000 2.012 254 L HA -0.222 4.118 4.340 0.001 0.000 0.210 254 L C 2.467 179.129 176.870 -0.347 0.000 1.073 254 L CA 1.873 56.416 54.840 -0.495 0.000 0.748 254 L CB -0.435 41.133 42.059 -0.817 0.000 0.891 254 L HN 0.170 nan 8.230 nan 0.000 0.431 255 S N -1.705 113.966 115.700 -0.049 0.000 2.439 255 S HA -0.022 4.448 4.470 0.001 0.000 0.224 255 S C 1.701 176.314 174.600 0.022 0.000 1.029 255 S CA 0.259 58.520 58.200 0.102 0.000 0.946 255 S CB -0.339 62.961 63.200 0.167 0.000 0.797 255 S HN 0.321 nan 8.310 nan 0.000 0.504 256 N N 2.180 120.875 118.700 -0.008 0.000 2.149 256 N HA -0.005 4.735 4.740 0.001 0.000 0.188 256 N C 1.374 176.869 175.510 -0.025 0.000 1.019 256 N CA 1.165 54.207 53.050 -0.013 0.000 0.857 256 N CB -0.134 38.344 38.487 -0.015 0.000 0.997 256 N HN 0.418 nan 8.380 nan 0.000 0.426 257 K N -1.109 119.261 120.400 -0.051 0.000 2.365 257 K HA 0.243 4.563 4.320 0.001 0.000 0.195 257 K C 1.654 178.218 176.600 -0.060 0.000 1.079 257 K CA 0.413 56.665 56.287 -0.059 0.000 0.979 257 K CB 0.093 32.543 32.500 -0.085 0.000 0.929 257 K HN 0.139 nan 8.250 nan 0.000 0.523 258 G N 1.589 110.350 108.800 -0.066 0.000 2.986 258 G HA2 -0.053 3.907 3.960 0.001 0.000 0.213 258 G HA3 -0.053 3.907 3.960 0.001 0.000 0.213 258 G C 0.555 175.451 174.900 -0.007 0.000 1.156 258 G CA 0.039 45.119 45.100 -0.033 0.000 0.763 258 G HN 0.289 nan 8.290 nan 0.000 0.547 259 S N -0.864 114.841 115.700 0.009 0.000 2.617 259 S HA 0.314 4.784 4.470 0.001 0.000 0.269 259 S C 0.966 175.542 174.600 -0.040 0.000 1.292 259 S CA -0.584 57.605 58.200 -0.018 0.000 1.010 259 S CB 0.908 64.128 63.200 0.034 0.000 0.944 259 S HN 0.132 nan 8.310 nan 0.000 0.536 260 Y N 1.588 121.862 120.300 -0.043 0.000 2.165 260 Y HA 0.030 4.580 4.550 0.001 0.000 0.286 260 Y C 1.722 177.540 175.900 -0.137 0.000 1.155 260 Y CA 1.262 59.273 58.100 -0.147 0.000 1.164 260 Y CB -0.550 37.702 38.460 -0.347 0.000 0.978 260 Y HN 1.003 nan 8.280 nan 0.000 0.513 261 S N -2.100 113.649 115.700 0.083 0.000 2.615 261 S HA 0.293 4.763 4.470 0.001 0.000 0.268 261 S C 0.251 174.893 174.600 0.070 0.000 1.146 261 S CA -0.398 57.851 58.200 0.081 0.000 0.818 261 S CB 0.432 63.699 63.200 0.111 0.000 1.111 261 S HN 0.089 nan 8.310 nan 0.000 0.465 262 L N 0.220 121.462 121.223 0.030 0.000 2.261 262 L HA 0.134 4.474 4.340 0.001 0.000 0.216 262 L C 2.040 178.877 176.870 -0.056 0.000 1.114 262 L CA 2.295 57.130 54.840 -0.008 0.000 0.777 262 L CB -1.370 40.684 42.059 -0.009 0.000 0.910 262 L HN 0.888 nan 8.230 nan 0.000 0.440 263 S N -1.878 113.783 115.700 -0.064 0.000 2.593 263 S HA 0.017 4.487 4.470 0.001 0.000 0.217 263 S C 0.520 174.766 174.600 -0.590 0.000 0.966 263 S CA -0.209 57.853 58.200 -0.230 0.000 0.914 263 S CB -0.830 62.243 63.200 -0.212 0.000 0.776 263 S HN 0.662 nan 8.310 nan 0.000 0.523 264 H N 1.467 120.224 119.070 -0.522 0.000 2.421 264 H HA 0.566 5.122 4.556 0.001 0.000 0.241 264 H C -0.104 174.747 175.328 -0.795 0.000 1.428 264 H CA -0.200 55.159 56.048 -1.148 0.000 1.136 264 H CB 0.574 29.980 29.762 -0.592 0.000 1.612 264 H HN 0.379 nan 8.280 nan 0.000 0.537 265 V N -2.656 116.978 119.914 -0.467 0.000 3.102 265 V HA 0.524 4.645 4.120 0.001 0.000 0.312 265 V C -0.974 175.076 176.094 -0.073 0.000 1.135 265 V CA -1.186 61.030 62.300 -0.141 0.000 1.022 265 V CB 2.059 33.853 31.823 -0.048 0.000 1.056 265 V HN 0.189 nan 8.190 nan 0.000 0.436 266 Y N 1.750 122.220 120.300 0.283 0.000 2.478 266 Y HA 0.553 5.104 4.550 0.001 0.000 0.329 266 Y C 1.232 177.187 175.900 0.092 0.000 0.967 266 Y CA -0.400 57.853 58.100 0.255 0.000 1.255 266 Y CB 1.543 40.200 38.460 0.327 0.000 1.103 266 Y HN 0.956 nan 8.280 nan 0.000 0.497 267 T N -0.093 114.581 114.554 0.200 0.000 2.766 267 T HA 0.113 4.463 4.350 0.001 0.000 0.295 267 T C -1.866 172.875 174.700 0.069 0.000 1.024 267 T CA -1.668 60.480 62.100 0.079 0.000 1.018 267 T CB 1.166 70.073 68.868 0.065 0.000 1.002 267 T HN 0.262 nan 8.240 nan 0.000 0.532 268 P HA -0.055 nan 4.420 nan 0.000 0.216 268 P C 1.317 178.639 177.300 0.036 0.000 1.150 268 P CA 0.858 63.958 63.100 0.001 0.000 0.837 268 P CB -0.040 31.647 31.700 -0.023 0.000 0.786 269 N N -1.041 117.689 118.700 0.049 0.000 2.244 269 N HA -0.114 4.626 4.740 0.001 0.000 0.183 269 N C 1.279 176.845 175.510 0.094 0.000 1.016 269 N CA 1.044 54.130 53.050 0.060 0.000 0.866 269 N CB -0.717 37.800 38.487 0.051 0.000 0.980 269 N HN 0.044 nan 8.380 nan 0.000 0.430 270 D N -0.433 120.050 120.400 0.139 0.000 2.097 270 D HA -0.078 4.562 4.640 0.001 0.000 0.195 270 D C 1.953 178.382 176.300 0.215 0.000 0.989 270 D CA 0.692 54.814 54.000 0.203 0.000 0.827 270 D CB -0.295 40.713 40.800 0.348 0.000 0.966 270 D HN 0.018 nan 8.370 nan 0.000 0.456 271 V N 0.918 120.962 119.914 0.218 0.000 2.358 271 V HA -0.213 3.908 4.120 0.001 0.000 0.246 271 V C 2.453 178.605 176.094 0.096 0.000 1.047 271 V CA 1.479 63.901 62.300 0.203 0.000 1.035 271 V CB -0.356 31.514 31.823 0.079 0.000 0.658 271 V HN 0.094 nan 8.190 nan 0.000 0.452 272 R N -0.620 119.914 120.500 0.056 0.000 2.073 272 R HA -0.172 4.169 4.340 0.001 0.000 0.234 272 R C 2.379 178.741 176.300 0.104 0.000 1.134 272 R CA 2.038 58.171 56.100 0.056 0.000 0.952 272 R CB -0.428 29.903 30.300 0.051 0.000 0.850 272 R HN 0.441 nan 8.270 nan 0.000 0.433 273 M N 0.401 120.063 119.600 0.102 0.000 2.108 273 M HA -0.196 4.284 4.480 0.001 0.000 0.261 273 M C 1.963 178.332 176.300 0.114 0.000 1.066 273 M CA 1.623 56.985 55.300 0.104 0.000 1.107 273 M CB 0.053 32.692 32.600 0.066 0.000 1.356 273 M HN 0.038 nan 8.290 nan 0.000 0.406 274 V N 0.798 120.763 119.914 0.086 0.000 2.261 274 V HA -0.315 3.805 4.120 0.001 0.000 0.246 274 V C 2.231 178.415 176.094 0.150 0.000 1.047 274 V CA 2.137 64.462 62.300 0.042 0.000 1.015 274 V CB -0.620 31.174 31.823 -0.049 0.000 0.642 274 V HN 0.509 nan 8.190 nan 0.000 0.446 275 I N -0.016 120.666 120.570 0.187 0.000 2.163 275 I HA -0.263 3.907 4.170 0.001 0.000 0.243 275 I C 2.619 178.918 176.117 0.302 0.000 1.085 275 I CA 1.956 63.396 61.300 0.233 0.000 1.347 275 I CB -0.338 37.754 38.000 0.153 0.000 1.044 275 I HN 0.350 nan 8.210 nan 0.000 0.408 276 E N 0.400 120.759 120.200 0.264 0.000 2.072 276 E HA -0.259 4.092 4.350 0.001 0.000 0.190 276 E C 2.108 178.827 176.600 0.197 0.000 0.982 276 E CA 1.364 57.903 56.400 0.232 0.000 0.803 276 E CB -0.449 29.355 29.700 0.174 0.000 0.755 276 E HN 0.487 nan 8.360 nan 0.000 0.453 277 Y N 0.234 120.579 120.300 0.076 0.000 2.224 277 Y HA -0.184 4.366 4.550 0.001 0.000 0.289 277 Y C 2.082 178.015 175.900 0.056 0.000 1.146 277 Y CA 1.911 60.038 58.100 0.045 0.000 1.182 277 Y CB -0.463 38.006 38.460 0.015 0.000 0.983 277 Y HN 0.158 nan 8.280 nan 0.000 0.524 278 A N 0.286 123.257 122.820 0.252 0.000 1.873 278 A HA -0.190 4.130 4.320 0.001 0.000 0.215 278 A C 2.350 180.027 177.584 0.156 0.000 1.186 278 A CA 1.664 53.809 52.037 0.180 0.000 0.616 278 A CB -0.795 18.312 19.000 0.179 0.000 0.823 278 A HN 0.490 nan 8.150 nan 0.000 0.442 279 R N -0.310 120.309 120.500 0.198 0.000 2.105 279 R HA -0.085 4.256 4.340 0.001 0.000 0.239 279 R C 1.827 178.225 176.300 0.164 0.000 1.135 279 R CA 1.497 57.714 56.100 0.195 0.000 0.967 279 R CB -0.427 29.934 30.300 0.102 0.000 0.861 279 R HN 0.539 nan 8.270 nan 0.000 0.442 280 L N -0.056 121.199 121.223 0.054 0.000 2.353 280 L HA -0.116 4.225 4.340 0.001 0.000 0.220 280 L C 1.702 178.584 176.870 0.021 0.000 1.133 280 L CA 1.169 56.003 54.840 -0.011 0.000 0.798 280 L CB -0.067 41.920 42.059 -0.119 0.000 0.922 280 L HN 0.153 nan 8.230 nan 0.000 0.445 281 R N -0.748 119.785 120.500 0.054 0.000 2.509 281 R HA 0.212 4.553 4.340 0.001 0.000 0.300 281 R C 1.017 177.434 176.300 0.196 0.000 0.985 281 R CA 0.466 56.621 56.100 0.091 0.000 1.092 281 R CB 0.768 31.071 30.300 0.005 0.000 1.237 281 R HN 0.232 nan 8.270 nan 0.000 0.546 282 G N 1.653 110.638 108.800 0.308 0.000 2.198 282 G HA2 -0.273 3.688 3.960 0.001 0.000 0.260 282 G HA3 -0.273 3.688 3.960 0.001 0.000 0.260 282 G C 0.013 174.993 174.900 0.133 0.000 1.025 282 G CA 0.048 45.366 45.100 0.363 0.000 0.769 282 G HN 0.266 nan 8.290 nan 0.000 0.507 283 I N -0.111 120.531 120.570 0.120 0.000 2.404 283 I HA 0.443 4.613 4.170 0.001 0.000 0.293 283 I C 0.789 176.958 176.117 0.085 0.000 0.992 283 I CA -1.002 60.351 61.300 0.089 0.000 1.149 283 I CB 1.473 39.535 38.000 0.104 0.000 1.315 283 I HN 0.008 nan 8.210 nan 0.000 0.446 284 R N 4.191 124.718 120.500 0.045 0.000 2.410 284 R HA 0.548 4.889 4.340 0.001 0.000 0.288 284 R C -0.967 175.390 176.300 0.096 0.000 1.051 284 R CA -0.640 55.499 56.100 0.065 0.000 1.021 284 R CB 1.646 31.951 30.300 0.008 0.000 1.032 284 R HN 0.336 nan 8.270 nan 0.000 0.481 285 V N 4.750 124.756 119.914 0.154 0.000 2.313 285 V HA 0.155 4.276 4.120 0.001 0.000 0.278 285 V C -0.701 175.503 176.094 0.183 0.000 1.017 285 V CA -0.697 61.729 62.300 0.210 0.000 0.823 285 V CB 1.197 33.227 31.823 0.344 0.000 1.010 285 V HN 0.448 nan 8.190 nan 0.000 0.443 286 L N 9.861 131.141 121.223 0.096 0.000 2.268 286 L HA 0.599 4.940 4.340 0.001 0.000 0.289 286 L C -2.173 174.632 176.870 -0.107 0.000 1.064 286 L CA -1.607 53.231 54.840 -0.004 0.000 0.824 286 L CB 1.039 43.063 42.059 -0.057 0.000 1.202 286 L HN 0.355 nan 8.230 nan 0.000 0.433 287 P HA 0.179 nan 4.420 nan 0.000 0.278 287 P C -1.210 175.867 177.300 -0.371 0.000 1.238 287 P CA -0.366 62.371 63.100 -0.605 0.000 0.794 287 P CB 1.223 32.090 31.700 -1.387 0.000 0.955 288 E N 2.382 122.310 120.200 -0.453 0.000 2.216 288 E HA 0.372 4.722 4.350 0.001 0.000 0.260 288 E C -1.622 174.713 176.600 -0.442 0.000 0.880 288 E CA -0.638 55.616 56.400 -0.243 0.000 0.765 288 E CB 0.773 30.402 29.700 -0.118 0.000 1.174 288 E HN 0.268 nan 8.360 nan 0.000 0.417 289 F N 3.221 123.232 119.950 0.100 0.000 2.363 289 F HA 0.182 4.709 4.527 0.001 0.000 0.366 289 F C 0.226 176.298 175.800 0.453 0.000 1.083 289 F CA -0.854 57.310 58.000 0.273 0.000 1.176 289 F CB 0.922 40.180 39.000 0.430 0.000 1.432 289 F HN 0.351 nan 8.300 nan 0.000 0.482 290 D N 2.633 123.280 120.400 0.412 0.000 2.450 290 D HA 0.194 4.834 4.640 0.001 0.000 0.247 290 D C 0.088 176.568 176.300 0.301 0.000 1.162 290 D CA 0.750 54.990 54.000 0.400 0.000 0.879 290 D CB 0.834 41.854 40.800 0.367 0.000 1.163 290 D HN 0.550 nan 8.370 nan 0.000 0.472 291 T N 0.710 115.434 114.554 0.284 0.000 2.868 291 T HA 0.493 4.844 4.350 0.001 0.000 0.306 291 T C -2.415 172.461 174.700 0.292 0.000 1.224 291 T CA -1.135 61.043 62.100 0.130 0.000 1.012 291 T CB 2.399 71.358 68.868 0.152 0.000 1.221 291 T HN 0.085 nan 8.240 nan 0.000 0.499 292 P HA 0.209 nan 4.420 nan 0.000 0.230 292 P C 0.964 178.140 177.300 -0.207 0.000 1.168 292 P CA 0.361 63.336 63.100 -0.210 0.000 0.793 292 P CB -0.157 31.242 31.700 -0.502 0.000 0.851 293 G N -0.689 108.040 108.800 -0.118 0.000 2.580 293 G HA2 0.141 4.101 3.960 0.001 0.000 0.278 293 G HA3 0.141 4.101 3.960 0.001 0.000 0.278 293 G C -0.098 174.782 174.900 -0.033 0.000 1.212 293 G CA -0.191 44.806 45.100 -0.173 0.000 0.939 293 G HN 0.269 nan 8.290 nan 0.000 0.513 294 H N -1.534 117.480 119.070 -0.093 0.000 2.820 294 H HA -0.184 4.372 4.556 0.001 0.000 0.295 294 H C 1.278 176.622 175.328 0.027 0.000 1.187 294 H CA 1.401 57.445 56.048 -0.007 0.000 1.144 294 H CB -1.837 27.969 29.762 0.074 0.000 1.354 294 H HN 0.686 nan 8.280 nan 0.000 0.395 295 T N -3.056 111.474 114.554 -0.040 0.000 3.182 295 T HA 0.339 4.689 4.350 0.001 0.000 0.277 295 T C 1.916 176.645 174.700 0.048 0.000 1.013 295 T CA -0.155 61.837 62.100 -0.178 0.000 0.900 295 T CB 0.297 68.734 68.868 -0.718 0.000 1.098 295 T HN 0.178 nan 8.240 nan 0.000 0.543 296 L N 1.999 123.263 121.223 0.068 0.000 2.043 296 L HA -0.170 4.171 4.340 0.001 0.000 0.212 296 L C 3.022 179.948 176.870 0.094 0.000 1.075 296 L CA 1.961 56.827 54.840 0.043 0.000 0.752 296 L CB -0.544 41.527 42.059 0.020 0.000 0.891 296 L HN 0.552 nan 8.230 nan 0.000 0.432 297 S N -1.550 114.276 115.700 0.210 0.000 2.447 297 S HA -0.191 4.279 4.470 0.001 0.000 0.233 297 S C 1.482 176.181 174.600 0.164 0.000 1.006 297 S CA 0.593 58.895 58.200 0.171 0.000 0.957 297 S CB -0.667 62.650 63.200 0.195 0.000 0.773 297 S HN 0.456 nan 8.310 nan 0.000 0.507 298 W N 2.255 123.518 121.300 -0.062 0.000 2.402 298 W HA 0.302 4.962 4.660 0.001 0.000 0.286 298 W C 2.683 178.983 176.519 -0.365 0.000 1.221 298 W CA 0.186 57.373 57.345 -0.263 0.000 1.257 298 W CB -1.206 28.141 29.460 -0.187 0.000 1.120 298 W HN 0.423 nan 8.180 nan 0.000 0.551 299 G N 0.401 109.158 108.800 -0.072 0.000 2.470 299 G HA2 -0.227 3.733 3.960 0.001 0.000 0.220 299 G HA3 -0.227 3.733 3.960 0.001 0.000 0.220 299 G C 1.499 176.232 174.900 -0.277 0.000 1.121 299 G CA 0.755 45.704 45.100 -0.252 0.000 0.766 299 G HN 0.242 nan 8.290 nan 0.000 0.553 300 K N -0.147 120.127 120.400 -0.210 0.000 2.148 300 K HA -0.001 4.319 4.320 0.001 0.000 0.204 300 K C 2.500 178.989 176.600 -0.185 0.000 1.050 300 K CA 0.996 57.171 56.287 -0.187 0.000 0.942 300 K CB -0.057 32.365 32.500 -0.130 0.000 0.724 300 K HN 0.289 nan 8.250 nan 0.000 0.446 301 G N -0.121 108.544 108.800 -0.226 0.000 2.833 301 G HA2 -0.077 3.884 3.960 0.001 0.000 0.210 301 G HA3 -0.077 3.884 3.960 0.001 0.000 0.210 301 G C 0.159 174.919 174.900 -0.232 0.000 1.139 301 G CA -0.093 44.883 45.100 -0.207 0.000 0.771 301 G HN 0.077 nan 8.290 nan 0.000 0.535 302 Q N 1.529 121.129 119.800 -0.332 0.000 2.413 302 Q HA 0.383 4.724 4.340 0.001 0.000 0.258 302 Q C -0.514 175.272 176.000 -0.356 0.000 1.037 302 Q CA -0.657 54.890 55.803 -0.427 0.000 0.764 302 Q CB 0.685 28.930 28.738 -0.821 0.000 1.217 302 Q HN -0.116 nan 8.270 nan 0.000 0.490 303 K N 2.704 122.957 120.400 -0.245 0.000 2.295 303 K HA 0.134 4.455 4.320 0.001 0.000 0.270 303 K C -0.222 176.274 176.600 -0.175 0.000 1.011 303 K CA 0.140 56.312 56.287 -0.191 0.000 0.953 303 K CB 0.464 32.896 32.500 -0.113 0.000 0.956 303 K HN 0.772 nan 8.250 nan 0.000 0.477 304 D N 0.156 120.479 120.400 -0.128 0.000 3.079 304 D HA -0.205 4.435 4.640 0.001 0.000 0.214 304 D C 0.850 177.084 176.300 -0.110 0.000 1.145 304 D CA 0.692 54.650 54.000 -0.071 0.000 0.958 304 D CB -0.815 39.962 40.800 -0.038 0.000 1.117 304 D HN 0.385 nan 8.370 nan 0.000 0.416 305 L N 0.151 121.253 121.223 -0.202 0.000 2.102 305 L HA 0.151 4.492 4.340 0.001 0.000 0.202 305 L C 0.904 177.686 176.870 -0.146 0.000 1.076 305 L CA 1.136 55.834 54.840 -0.237 0.000 0.761 305 L CB 0.033 41.845 42.059 -0.412 0.000 0.921 305 L HN 0.085 nan 8.230 nan 0.000 0.444 306 L N 0.470 121.615 121.223 -0.130 0.000 2.417 306 L HA 0.184 4.524 4.340 0.001 0.000 0.268 306 L C 0.152 177.099 176.870 0.128 0.000 1.158 306 L CA -0.381 54.441 54.840 -0.030 0.000 0.819 306 L CB 0.559 42.571 42.059 -0.079 0.000 1.112 306 L HN 0.009 nan 8.230 nan 0.000 0.458 307 T N 3.981 118.633 114.554 0.163 0.000 2.737 307 T HA 0.201 4.551 4.350 0.001 0.000 0.296 307 T C -2.269 172.516 174.700 0.141 0.000 0.922 307 T CA -0.923 61.293 62.100 0.193 0.000 1.079 307 T CB 0.523 69.581 68.868 0.317 0.000 0.892 307 T HN 0.378 nan 8.240 nan 0.000 0.514 308 P HA 0.247 nan 4.420 nan 0.000 0.276 308 P C -0.520 176.482 177.300 -0.495 0.000 1.235 308 P CA -0.487 62.366 63.100 -0.411 0.000 0.772 308 P CB 0.331 31.775 31.700 -0.426 0.000 0.871 309 c N 3.982 122.235 118.600 -0.578 0.000 2.405 309 c HA 0.519 5.089 4.570 0.001 0.000 0.365 309 c C 0.136 173.853 174.090 -0.620 0.000 1.233 309 c CA -0.345 55.741 56.329 -0.405 0.000 2.230 309 c CB -0.644 41.720 42.510 -0.242 0.000 2.443 309 c HN 0.511 nan 8.230 nan 0.000 0.556 310 Y N 0.358 120.614 120.300 -0.073 0.000 2.446 310 Y HA 0.596 5.146 4.550 0.001 0.000 0.345 310 Y C 0.528 176.401 175.900 -0.046 0.000 0.984 310 Y CA -0.151 57.911 58.100 -0.062 0.000 1.058 310 Y CB 1.899 40.335 38.460 -0.039 0.000 1.220 310 Y HN 0.761 nan 8.280 nan 0.000 0.455 316 L N 5.261 126.522 121.223 0.064 0.000 2.678 316 L HA 0.112 4.452 4.340 0.001 0.000 0.276 316 L C -0.189 176.540 176.870 -0.234 0.000 1.142 316 L CA 0.870 55.548 54.840 -0.270 0.000 0.961 316 L CB -0.198 41.699 42.059 -0.270 0.000 1.291 316 L HN 0.372 nan 8.230 nan 0.000 0.476 317 D N 1.761 122.002 120.400 -0.266 0.000 2.462 317 D HA 0.276 4.916 4.640 0.001 0.000 0.221 317 D C 0.310 176.481 176.300 -0.215 0.000 1.173 317 D CA 0.312 54.202 54.000 -0.183 0.000 0.831 317 D CB 0.239 40.969 40.800 -0.116 0.000 1.001 317 D HN 0.445 nan 8.370 nan 0.000 0.499 318 S N -1.698 113.786 115.700 -0.359 0.000 2.479 318 S HA 0.213 4.683 4.470 0.001 0.000 0.284 318 S C -2.090 172.173 174.600 -0.562 0.000 0.893 318 S CA -0.942 57.066 58.200 -0.321 0.000 1.215 318 S CB -0.777 62.339 63.200 -0.139 0.000 1.511 318 S HN 0.032 nan 8.310 nan 0.000 0.442 319 F N 0.913 120.785 119.950 -0.130 0.000 2.522 319 F HA 0.792 5.319 4.527 0.001 0.000 0.324 319 F C 1.176 176.898 175.800 -0.130 0.000 1.077 319 F CA 0.400 58.324 58.000 -0.127 0.000 0.944 319 F CB 2.035 40.970 39.000 -0.107 0.000 1.175 319 F HN 0.843 nan 8.300 nan 0.000 0.468 320 G N 0.493 109.322 108.800 0.048 0.000 3.122 320 G HA2 0.619 4.579 3.960 0.001 0.000 0.180 320 G HA3 0.619 4.579 3.960 0.001 0.000 0.180 320 G C -2.813 172.022 174.900 -0.108 0.000 1.279 320 G CA -1.452 43.599 45.100 -0.082 0.000 0.987 320 G HN 0.330 nan 8.290 nan 0.000 0.589 321 P HA 0.140 nan 4.420 nan 0.000 0.272 321 P C 0.184 177.455 177.300 -0.049 0.000 1.248 321 P CA -0.142 62.813 63.100 -0.241 0.000 0.799 321 P CB 0.796 32.201 31.700 -0.491 0.000 0.997 322 I N 0.745 121.240 120.570 -0.125 0.000 2.872 322 I HA -0.086 4.084 4.170 0.001 0.000 0.291 322 I C 1.430 177.579 176.117 0.054 0.000 1.216 322 I CA 0.370 61.599 61.300 -0.118 0.000 1.424 322 I CB -0.273 37.569 38.000 -0.264 0.000 1.351 322 I HN 0.315 nan 8.210 nan 0.000 0.592 323 N N 8.516 127.221 118.700 0.008 0.000 2.399 323 N HA 0.099 4.839 4.740 0.001 0.000 0.259 323 N C -1.653 173.785 175.510 -0.120 0.000 1.160 323 N CA -1.784 51.260 53.050 -0.009 0.000 0.946 323 N CB 0.867 39.342 38.487 -0.019 0.000 1.156 323 N HN 0.313 nan 8.380 nan 0.000 0.489 324 P HA 0.011 nan 4.420 nan 0.000 0.245 324 P C 0.653 177.960 177.300 0.012 0.000 1.212 324 P CA 0.660 63.768 63.100 0.012 0.000 0.774 324 P CB 0.118 31.816 31.700 -0.002 0.000 0.999 325 T N -3.615 110.750 114.554 -0.315 0.000 3.040 325 T HA 0.221 4.571 4.350 0.001 0.000 0.250 325 T C 0.668 175.291 174.700 -0.128 0.000 1.058 325 T CA -0.131 61.594 62.100 -0.625 0.000 0.988 325 T CB -0.399 67.892 68.868 -0.962 0.000 0.993 325 T HN -0.061 nan 8.240 nan 0.000 0.519 326 L N 1.959 123.177 121.223 -0.008 0.000 2.325 326 L HA 0.520 4.861 4.340 0.001 0.000 0.279 326 L C 1.001 177.979 176.870 0.180 0.000 1.054 326 L CA -1.090 53.793 54.840 0.071 0.000 0.804 326 L CB 0.911 42.980 42.059 0.018 0.000 1.200 326 L HN -0.085 nan 8.230 nan 0.000 0.436 327 N N 0.468 119.288 118.700 0.201 0.000 2.270 327 N HA -0.123 4.617 4.740 0.001 0.000 0.181 327 N C 1.758 177.387 175.510 0.198 0.000 1.016 327 N CA 1.536 54.736 53.050 0.250 0.000 0.870 327 N CB -0.181 38.419 38.487 0.188 0.000 0.979 327 N HN 0.803 nan 8.380 nan 0.000 0.431 328 T N -2.758 111.873 114.554 0.129 0.000 2.929 328 T HA -0.070 4.281 4.350 0.001 0.000 0.271 328 T C 1.902 176.664 174.700 0.103 0.000 1.085 328 T CA 1.402 63.568 62.100 0.110 0.000 1.125 328 T CB -0.606 68.298 68.868 0.059 0.000 0.874 328 T HN 0.034 nan 8.240 nan 0.000 0.494 329 T N 1.011 115.581 114.554 0.026 0.000 2.698 329 T HA 0.021 4.372 4.350 0.001 0.000 0.260 329 T C 1.463 176.132 174.700 -0.052 0.000 1.044 329 T CA 1.248 63.300 62.100 -0.080 0.000 1.149 329 T CB -0.521 68.156 68.868 -0.317 0.000 0.864 329 T HN 0.500 nan 8.240 nan 0.000 0.419 330 Y N 1.133 121.547 120.300 0.189 0.000 2.352 330 Y HA 0.005 4.555 4.550 0.001 0.000 0.292 330 Y C 2.920 178.913 175.900 0.154 0.000 1.136 330 Y CA 0.644 58.835 58.100 0.153 0.000 1.227 330 Y CB -0.586 37.930 38.460 0.093 0.000 0.991 330 Y HN 0.191 nan 8.280 nan 0.000 0.545 331 S N -0.184 115.682 115.700 0.277 0.000 2.371 331 S HA -0.209 4.262 4.470 0.001 0.000 0.224 331 S C 2.021 176.776 174.600 0.258 0.000 1.029 331 S CA 0.984 59.328 58.200 0.240 0.000 0.978 331 S CB -0.691 62.640 63.200 0.218 0.000 0.833 331 S HN 0.479 nan 8.310 nan 0.000 0.466 332 F N 2.137 122.158 119.950 0.118 0.000 2.102 332 F HA 0.007 4.534 4.527 0.001 0.000 0.298 332 F C 1.835 177.704 175.800 0.114 0.000 1.105 332 F CA 1.632 59.663 58.000 0.051 0.000 1.239 332 F CB -0.354 38.543 39.000 -0.172 0.000 0.991 332 F HN 0.190 nan 8.300 nan 0.000 0.474 333 L N -0.118 121.046 121.223 -0.100 0.000 2.131 333 L HA -0.212 4.128 4.340 0.001 0.000 0.210 333 L C 2.351 179.306 176.870 0.142 0.000 1.092 333 L CA 1.677 56.485 54.840 -0.053 0.000 0.759 333 L CB -1.182 41.023 42.059 0.243 0.000 0.903 333 L HN 0.220 nan 8.230 nan 0.000 0.435 334 T N -1.307 113.349 114.554 0.169 0.000 2.777 334 T HA -0.162 4.188 4.350 0.001 0.000 0.266 334 T C 1.927 176.708 174.700 0.135 0.000 1.040 334 T CA 1.909 64.113 62.100 0.174 0.000 1.141 334 T CB -0.206 68.754 68.868 0.153 0.000 0.868 334 T HN 0.327 nan 8.240 nan 0.000 0.444 335 T N 1.615 116.251 114.554 0.137 0.000 2.777 335 T HA 0.020 4.370 4.350 0.001 0.000 0.266 335 T C 1.543 176.313 174.700 0.117 0.000 1.040 335 T CA 0.769 62.953 62.100 0.141 0.000 1.141 335 T CB -0.436 68.577 68.868 0.240 0.000 0.868 335 T HN 0.327 nan 8.240 nan 0.000 0.444 336 F N 1.213 121.116 119.950 -0.078 0.000 2.075 336 F HA -0.032 4.495 4.527 0.001 0.000 0.297 336 F C 1.695 177.307 175.800 -0.313 0.000 1.113 336 F CA 1.131 58.969 58.000 -0.271 0.000 1.218 336 F CB -0.477 37.996 39.000 -0.878 0.000 0.984 336 F HN 0.072 nan 8.300 nan 0.000 0.472 337 F N 0.781 120.650 119.950 -0.136 0.000 2.293 337 F HA -0.083 4.444 4.527 0.001 0.000 0.300 337 F C 2.310 177.999 175.800 -0.186 0.000 1.086 337 F CA 1.383 59.262 58.000 -0.202 0.000 1.375 337 F CB -0.899 38.082 39.000 -0.031 0.000 1.045 337 F HN -0.056 nan 8.300 nan 0.000 0.516 338 K N 0.978 121.401 120.400 0.039 0.000 2.097 338 K HA -0.223 4.097 4.320 0.001 0.000 0.206 338 K C 2.023 178.588 176.600 -0.059 0.000 1.049 338 K CA 1.714 58.003 56.287 0.004 0.000 0.933 338 K CB -0.387 32.117 32.500 0.007 0.000 0.717 338 K HN 0.364 nan 8.250 nan 0.000 0.442 339 E N -0.153 119.960 120.200 -0.146 0.000 2.072 339 E HA -0.154 4.196 4.350 0.001 0.000 0.191 339 E C 1.745 178.249 176.600 -0.159 0.000 0.985 339 E CA 1.171 57.471 56.400 -0.165 0.000 0.801 339 E CB -0.006 29.559 29.700 -0.225 0.000 0.750 339 E HN 0.221 nan 8.360 nan 0.000 0.452 340 I N 1.891 122.286 120.570 -0.292 0.000 2.264 340 I HA -0.243 3.928 4.170 0.001 0.000 0.248 340 I C 2.716 178.885 176.117 0.085 0.000 1.111 340 I CA 1.607 62.829 61.300 -0.131 0.000 1.382 340 I CB -1.647 36.199 38.000 -0.258 0.000 1.060 340 I HN 0.223 nan 8.210 nan 0.000 0.418 341 S N 0.302 116.021 115.700 0.032 0.000 2.447 341 S HA -0.142 4.329 4.470 0.001 0.000 0.233 341 S C 1.628 176.235 174.600 0.011 0.000 1.006 341 S CA 0.957 59.175 58.200 0.031 0.000 0.957 341 S CB -0.371 62.832 63.200 0.006 0.000 0.773 341 S HN 0.585 nan 8.310 nan 0.000 0.507 342 E N 0.435 120.632 120.200 -0.005 0.000 2.216 342 E HA 0.104 4.454 4.350 0.001 0.000 0.192 342 E C 1.917 178.489 176.600 -0.047 0.000 0.973 342 E CA 0.594 56.978 56.400 -0.026 0.000 0.851 342 E CB 0.005 29.686 29.700 -0.032 0.000 0.804 342 E HN 0.384 nan 8.360 nan 0.000 0.477 343 V N 0.701 120.591 119.914 -0.040 0.000 2.407 343 V HA -0.076 4.045 4.120 0.001 0.000 0.245 343 V C 0.442 176.323 176.094 -0.355 0.000 1.041 343 V CA 1.080 63.277 62.300 -0.171 0.000 1.040 343 V CB -0.140 31.589 31.823 -0.157 0.000 0.671 343 V HN 0.077 nan 8.190 nan 0.000 0.455 344 F N 1.518 121.432 119.950 -0.059 0.000 2.385 344 F HA 0.406 4.933 4.527 0.001 0.000 0.360 344 F C -1.136 174.567 175.800 -0.161 0.000 1.122 344 F CA -2.285 55.664 58.000 -0.084 0.000 1.090 344 F CB 1.085 40.070 39.000 -0.025 0.000 1.150 344 F HN -0.012 nan 8.300 nan 0.000 0.472 345 P HA -0.111 nan 4.420 nan 0.000 0.225 345 P C 0.101 177.292 177.300 -0.181 0.000 1.156 345 P CA 0.553 63.448 63.100 -0.341 0.000 0.787 345 P CB 0.141 31.240 31.700 -1.002 0.000 0.802 346 D N 0.171 120.529 120.400 -0.069 0.000 2.506 346 D HA -0.066 4.574 4.640 0.001 0.000 0.234 346 D C 1.456 177.754 176.300 -0.004 0.000 1.143 346 D CA 0.376 54.387 54.000 0.019 0.000 0.871 346 D CB 0.613 41.471 40.800 0.096 0.000 1.190 346 D HN 0.022 nan 8.370 nan 0.000 0.459 347 Q N 1.213 120.998 119.800 -0.026 0.000 2.364 347 Q HA -0.020 4.320 4.340 0.001 0.000 0.209 347 Q C -0.221 175.510 176.000 -0.448 0.000 0.977 347 Q CA 0.697 56.357 55.803 -0.239 0.000 0.885 347 Q CB 0.121 28.652 28.738 -0.344 0.000 0.941 347 Q HN 0.453 nan 8.270 nan 0.000 0.464 348 F N -0.279 119.649 119.950 -0.037 0.000 2.538 348 F HA 0.501 5.028 4.527 0.001 0.000 0.325 348 F C -0.135 175.617 175.800 -0.080 0.000 1.066 348 F CA -1.061 56.899 58.000 -0.066 0.000 0.946 348 F CB 1.446 40.403 39.000 -0.071 0.000 1.199 348 F HN -0.216 nan 8.300 nan 0.000 0.473 349 I N 2.167 122.789 120.570 0.086 0.000 2.466 349 I HA 0.192 4.362 4.170 0.001 0.000 0.289 349 I C -0.802 175.313 176.117 -0.002 0.000 1.026 349 I CA -0.735 60.573 61.300 0.013 0.000 1.078 349 I CB 1.585 39.561 38.000 -0.040 0.000 1.249 349 I HN 0.527 nan 8.210 nan 0.000 0.429 350 H N 7.135 126.134 119.070 -0.117 0.000 2.800 350 H HA 0.272 4.829 4.556 0.001 0.000 0.291 350 H C 0.333 175.633 175.328 -0.047 0.000 1.076 350 H CA 0.200 56.138 56.048 -0.183 0.000 1.452 350 H CB 1.415 30.954 29.762 -0.371 0.000 1.461 350 H HN 0.612 nan 8.280 nan 0.000 0.488 351 L N 4.373 125.648 121.223 0.086 0.000 2.558 351 L HA 0.098 4.439 4.340 0.001 0.000 0.225 351 L C 1.781 178.866 176.870 0.358 0.000 1.128 351 L CA 0.577 55.533 54.840 0.194 0.000 0.868 351 L CB -0.151 41.925 42.059 0.028 0.000 1.006 351 L HN 0.952 nan 8.230 nan 0.000 0.454 352 G N 0.615 109.705 108.800 0.484 0.000 2.536 352 G HA2 -0.201 3.760 3.960 0.001 0.000 0.277 352 G HA3 -0.201 3.760 3.960 0.001 0.000 0.277 352 G C 0.768 176.021 174.900 0.590 0.000 1.155 352 G CA -0.053 45.410 45.100 0.604 0.000 0.960 352 G HN 0.805 nan 8.290 nan 0.000 0.544 353 G N -0.416 108.710 108.800 0.543 0.000 2.131 353 G HA2 0.106 4.067 3.960 0.001 0.000 0.223 353 G HA3 0.106 4.067 3.960 0.001 0.000 0.223 353 G C 0.075 175.232 174.900 0.428 0.000 0.990 353 G CA 1.260 46.624 45.100 0.440 0.000 0.671 353 G HN 2.069 nan 8.290 nan 0.000 0.521 354 D N 0.375 121.031 120.400 0.428 0.000 2.253 354 D HA 0.400 5.040 4.640 0.001 0.000 0.249 354 D C 0.609 176.984 176.300 0.125 0.000 1.049 354 D CA -0.059 54.074 54.000 0.221 0.000 0.929 354 D CB 0.475 41.101 40.800 -0.290 0.000 1.176 354 D HN 0.487 nan 8.370 nan 0.000 0.437 355 E N -0.785 119.465 120.200 0.083 0.000 2.238 355 E HA -0.159 4.192 4.350 0.001 0.000 0.219 355 E C -0.468 176.005 176.600 -0.212 0.000 1.275 355 E CA 0.033 56.398 56.400 -0.059 0.000 0.714 355 E CB -1.309 28.344 29.700 -0.078 0.000 1.154 355 E HN 0.275 nan 8.360 nan 0.000 0.363 356 V N 1.409 121.179 119.914 -0.239 0.000 2.555 356 V HA 0.007 4.127 4.120 0.001 0.000 0.286 356 V C 0.870 176.535 176.094 -0.715 0.000 1.044 356 V CA 0.394 62.447 62.300 -0.411 0.000 1.026 356 V CB 1.066 32.725 31.823 -0.273 0.000 0.981 356 V HN 0.198 nan 8.190 nan 0.000 0.480 357 E N 4.449 124.250 120.200 -0.666 0.000 2.115 357 E HA 0.290 4.640 4.350 0.001 0.000 0.282 357 E C -0.038 176.194 176.600 -0.614 0.000 0.987 357 E CA -0.182 55.841 56.400 -0.628 0.000 0.797 357 E CB 0.901 30.347 29.700 -0.424 0.000 1.086 357 E HN 0.641 nan 8.360 nan 0.000 0.397 358 F N 2.049 121.785 119.950 -0.358 0.000 2.558 358 F HA -0.044 4.483 4.527 0.001 0.000 0.298 358 F C 2.434 178.002 175.800 -0.386 0.000 1.119 358 F CA 0.041 57.830 58.000 -0.351 0.000 1.451 358 F CB 0.095 38.969 39.000 -0.208 0.000 1.091 358 F HN 0.421 nan 8.300 nan 0.000 0.563 359 K N 0.576 120.885 120.400 -0.151 0.000 2.020 359 K HA -0.295 4.025 4.320 0.001 0.000 0.212 359 K C 2.326 178.862 176.600 -0.106 0.000 1.050 359 K CA 2.014 58.216 56.287 -0.143 0.000 0.929 359 K CB -0.730 31.697 32.500 -0.123 0.000 0.714 359 K HN 0.374 nan 8.250 nan 0.000 0.443 360 c N 0.394 118.925 118.600 -0.114 0.000 2.413 360 c HA -0.130 4.440 4.570 0.001 0.000 0.276 360 c C 2.419 176.589 174.090 0.133 0.000 1.248 360 c CA 0.623 56.927 56.329 -0.043 0.000 1.742 360 c CB -1.408 41.039 42.510 -0.105 0.000 2.017 360 c HN 0.712 nan 8.230 nan 0.000 0.481 361 W N 0.832 122.107 121.300 -0.042 0.000 2.358 361 W HA -0.022 4.639 4.660 0.001 0.000 0.303 361 W C 2.553 179.107 176.519 0.058 0.000 1.208 361 W CA 1.433 58.811 57.345 0.055 0.000 1.274 361 W CB -1.393 28.163 29.460 0.160 0.000 1.138 361 W HN 0.505 nan 8.180 nan 0.000 0.515 362 E N 0.223 120.392 120.200 -0.052 0.000 2.110 362 E HA -0.189 4.161 4.350 0.001 0.000 0.193 362 E C 2.143 178.820 176.600 0.128 0.000 0.988 362 E CA 1.873 58.222 56.400 -0.085 0.000 0.804 362 E CB -0.155 29.319 29.700 -0.376 0.000 0.745 362 E HN 0.133 nan 8.360 nan 0.000 0.458 363 S N 0.098 115.858 115.700 0.100 0.000 2.561 363 S HA -0.030 4.441 4.470 0.001 0.000 0.225 363 S C 0.682 175.412 174.600 0.216 0.000 0.977 363 S CA -0.268 58.010 58.200 0.130 0.000 0.926 363 S CB -0.083 63.170 63.200 0.088 0.000 0.769 363 S HN 0.112 nan 8.310 nan 0.000 0.533 364 N N 2.286 121.133 118.700 0.245 0.000 2.419 364 N HA 0.264 5.004 4.740 0.001 0.000 0.264 364 N C -2.190 173.427 175.510 0.178 0.000 1.031 364 N CA -1.784 51.437 53.050 0.286 0.000 0.951 364 N CB 1.734 40.387 38.487 0.276 0.000 1.101 364 N HN -0.008 nan 8.380 nan 0.000 0.488 365 P HA -0.149 nan 4.420 nan 0.000 0.214 365 P C 1.116 178.444 177.300 0.047 0.000 1.163 365 P CA 1.558 64.669 63.100 0.019 0.000 0.883 365 P CB 0.337 31.982 31.700 -0.092 0.000 0.788 366 K N -0.454 119.978 120.400 0.053 0.000 2.074 366 K HA -0.120 4.200 4.320 0.001 0.000 0.209 366 K C 2.164 178.817 176.600 0.089 0.000 1.048 366 K CA 1.337 57.662 56.287 0.063 0.000 0.926 366 K CB -1.099 31.442 32.500 0.067 0.000 0.713 366 K HN 0.275 nan 8.250 nan 0.000 0.444 367 I N 1.270 121.899 120.570 0.098 0.000 2.353 367 I HA -0.224 3.947 4.170 0.001 0.000 0.248 367 I C 2.559 178.758 176.117 0.137 0.000 1.119 367 I CA 0.845 62.201 61.300 0.095 0.000 1.417 367 I CB -0.217 37.832 38.000 0.082 0.000 1.078 367 I HN 0.161 nan 8.210 nan 0.000 0.421 368 Q N 0.480 120.363 119.800 0.138 0.000 2.096 368 Q HA -0.272 4.068 4.340 0.001 0.000 0.204 368 Q C 1.727 177.750 176.000 0.037 0.000 0.982 368 Q CA 1.915 57.784 55.803 0.109 0.000 0.850 368 Q CB -0.492 28.309 28.738 0.105 0.000 0.901 368 Q HN 0.490 nan 8.270 nan 0.000 0.422 369 D N -0.524 119.899 120.400 0.039 0.000 2.117 369 D HA -0.160 4.480 4.640 0.001 0.000 0.197 369 D C 1.670 177.949 176.300 -0.035 0.000 0.987 369 D CA 0.754 54.753 54.000 -0.002 0.000 0.829 369 D CB -0.214 40.594 40.800 0.013 0.000 0.961 369 D HN 0.177 nan 8.370 nan 0.000 0.460 370 F N 0.431 120.299 119.950 -0.136 0.000 2.134 370 F HA -0.103 4.425 4.527 0.001 0.000 0.299 370 F C 2.175 177.769 175.800 -0.342 0.000 1.097 370 F CA 1.280 59.151 58.000 -0.214 0.000 1.264 370 F CB -0.168 38.718 39.000 -0.189 0.000 1.001 370 F HN -0.040 nan 8.300 nan 0.000 0.479 371 M N -0.452 119.066 119.600 -0.137 0.000 2.358 371 M HA -0.173 4.307 4.480 0.001 0.000 0.264 371 M C 2.159 178.219 176.300 -0.399 0.000 1.064 371 M CA 1.380 56.491 55.300 -0.315 0.000 1.093 371 M CB -0.519 31.954 32.600 -0.213 0.000 1.401 371 M HN 0.182 nan 8.290 nan 0.000 0.440 372 R N -0.176 120.148 120.500 -0.294 0.000 2.062 372 R HA -0.098 4.242 4.340 0.001 0.000 0.226 372 R C 2.118 178.215 176.300 -0.339 0.000 1.125 372 R CA 1.091 57.040 56.100 -0.251 0.000 0.966 372 R CB -0.212 29.994 30.300 -0.155 0.000 0.861 372 R HN 0.278 nan 8.270 nan 0.000 0.433 373 Q N 0.510 120.064 119.800 -0.410 0.000 2.170 373 Q HA -0.097 4.243 4.340 0.001 0.000 0.203 373 Q C 1.571 177.216 176.000 -0.592 0.000 0.976 373 Q CA 1.389 56.924 55.803 -0.446 0.000 0.858 373 Q CB 0.238 28.696 28.738 -0.466 0.000 0.907 373 Q HN 0.008 nan 8.270 nan 0.000 0.433 374 K N -1.317 118.547 120.400 -0.893 0.000 2.356 374 K HA 0.172 4.493 4.320 0.001 0.000 0.195 374 K C 0.470 176.569 176.600 -0.835 0.000 1.037 374 K CA 0.766 56.385 56.287 -1.114 0.000 1.014 374 K CB 0.364 31.625 32.500 -2.065 0.000 0.815 374 K HN 0.264 nan 8.250 nan 0.000 0.507 375 G N 1.935 110.387 108.800 -0.580 0.000 2.351 375 G HA2 -0.247 3.713 3.960 0.001 0.000 0.297 375 G HA3 -0.247 3.713 3.960 0.001 0.000 0.297 375 G C 0.331 175.184 174.900 -0.079 0.000 1.054 375 G CA 0.000 44.935 45.100 -0.275 0.000 1.123 375 G HN 0.400 nan 8.290 nan 0.000 0.512 376 F N -0.015 119.809 119.950 -0.211 0.000 2.717 376 F HA 0.304 4.831 4.527 0.001 0.000 0.295 376 F C 2.180 177.863 175.800 -0.194 0.000 1.117 376 F CA 0.145 58.020 58.000 -0.208 0.000 1.361 376 F CB 0.439 39.275 39.000 -0.273 0.000 1.112 376 F HN 0.854 nan 8.300 nan 0.000 0.594 377 G N 1.594 110.388 108.800 -0.010 0.000 2.536 377 G HA2 -0.393 3.568 3.960 0.001 0.000 0.277 377 G HA3 -0.393 3.568 3.960 0.001 0.000 0.277 377 G C 0.694 175.547 174.900 -0.079 0.000 1.155 377 G CA 0.501 45.578 45.100 -0.039 0.000 0.960 377 G HN 0.302 nan 8.290 nan 0.000 0.544 378 T N -2.120 112.408 114.554 -0.043 0.000 3.132 378 T HA 0.439 4.790 4.350 0.001 0.000 0.274 378 T C 0.078 174.786 174.700 0.014 0.000 1.011 378 T CA 1.074 63.179 62.100 0.008 0.000 0.899 378 T CB 0.675 69.613 68.868 0.117 0.000 1.089 378 T HN 0.562 nan 8.240 nan 0.000 0.543 379 D N 0.978 121.316 120.400 -0.104 0.000 2.422 379 D HA 0.284 4.925 4.640 0.001 0.000 0.227 379 D C -0.005 176.139 176.300 -0.261 0.000 1.190 379 D CA -1.249 52.694 54.000 -0.095 0.000 0.905 379 D CB -0.103 40.641 40.800 -0.094 0.000 1.034 379 D HN 0.207 nan 8.370 nan 0.000 0.507 380 F N 1.957 121.741 119.950 -0.276 0.000 2.748 380 F HA 0.104 4.631 4.527 0.001 0.000 0.299 380 F C 2.159 177.567 175.800 -0.653 0.000 1.154 380 F CA 0.343 58.068 58.000 -0.458 0.000 1.446 380 F CB 0.112 38.752 39.000 -0.600 0.000 1.112 380 F HN 0.269 nan 8.300 nan 0.000 0.584 381 K N 0.276 120.459 120.400 -0.361 0.000 2.288 381 K HA -0.109 4.212 4.320 0.001 0.000 0.201 381 K C 1.768 178.301 176.600 -0.113 0.000 1.048 381 K CA 0.837 57.046 56.287 -0.129 0.000 0.956 381 K CB -0.036 32.474 32.500 0.015 0.000 0.746 381 K HN 0.268 nan 8.250 nan 0.000 0.461 382 K N 0.700 120.925 120.400 -0.292 0.000 2.167 382 K HA -0.005 4.315 4.320 0.001 0.000 0.203 382 K C 2.007 178.267 176.600 -0.568 0.000 1.052 382 K CA 0.515 56.470 56.287 -0.554 0.000 0.956 382 K CB 0.085 31.998 32.500 -0.979 0.000 0.735 382 K HN 0.110 nan 8.250 nan 0.000 0.451 383 L N 1.260 122.300 121.223 -0.306 0.000 2.072 383 L HA -0.151 4.189 4.340 0.001 0.000 0.205 383 L C 2.547 179.554 176.870 0.229 0.000 1.079 383 L CA 1.325 56.163 54.840 -0.004 0.000 0.752 383 L CB -0.126 41.867 42.059 -0.109 0.000 0.906 383 L HN 0.280 nan 8.230 nan 0.000 0.436 384 E N -0.576 119.831 120.200 0.345 0.000 2.077 384 E HA -0.218 4.132 4.350 0.001 0.000 0.193 384 E C 2.078 178.929 176.600 0.420 0.000 0.989 384 E CA 1.600 58.350 56.400 0.583 0.000 0.800 384 E CB 0.117 30.206 29.700 0.648 0.000 0.746 384 E HN 0.395 nan 8.360 nan 0.000 0.452 385 S N 0.171 116.013 115.700 0.236 0.000 2.368 385 S HA -0.140 4.331 4.470 0.001 0.000 0.225 385 S C 1.480 176.194 174.600 0.190 0.000 1.030 385 S CA 1.093 59.390 58.200 0.161 0.000 0.999 385 S CB -0.453 62.775 63.200 0.047 0.000 0.844 385 S HN 0.416 nan 8.310 nan 0.000 0.459 386 F N 1.420 121.413 119.950 0.072 0.000 2.095 386 F HA -0.184 4.343 4.527 0.001 0.000 0.298 386 F C 2.079 177.998 175.800 0.198 0.000 1.104 386 F CA 1.508 59.590 58.000 0.136 0.000 1.232 386 F CB -0.660 38.489 39.000 0.248 0.000 0.987 386 F HN 0.267 nan 8.300 nan 0.000 0.475 387 Y N 0.435 120.856 120.300 0.202 0.000 2.089 387 Y HA -0.212 4.338 4.550 0.001 0.000 0.282 387 Y C 2.421 178.403 175.900 0.137 0.000 1.139 387 Y CA 1.896 60.114 58.100 0.197 0.000 1.123 387 Y CB -0.825 37.841 38.460 0.342 0.000 0.980 387 Y HN 0.089 nan 8.280 nan 0.000 0.493 388 I N 1.035 121.677 120.570 0.119 0.000 2.194 388 I HA -0.361 3.809 4.170 0.001 0.000 0.246 388 I C 2.154 178.202 176.117 -0.116 0.000 1.093 388 I CA 1.848 63.145 61.300 -0.006 0.000 1.355 388 I CB -1.066 37.041 38.000 0.178 0.000 1.046 388 I HN 0.508 nan 8.210 nan 0.000 0.413 389 Q N -0.134 119.610 119.800 -0.094 0.000 2.170 389 Q HA -0.205 4.135 4.340 0.001 0.000 0.203 389 Q C 2.161 178.040 176.000 -0.202 0.000 0.976 389 Q CA 1.411 57.142 55.803 -0.119 0.000 0.858 389 Q CB -0.007 28.684 28.738 -0.077 0.000 0.907 389 Q HN 0.477 nan 8.270 nan 0.000 0.433 390 K N -0.215 119.988 120.400 -0.328 0.000 2.062 390 K HA -0.075 4.245 4.320 0.001 0.000 0.205 390 K C 2.027 178.500 176.600 -0.212 0.000 1.051 390 K CA 1.137 57.203 56.287 -0.369 0.000 0.941 390 K CB 0.054 32.125 32.500 -0.716 0.000 0.719 390 K HN 0.024 nan 8.250 nan 0.000 0.440 391 V N 1.475 121.253 119.914 -0.226 0.000 2.427 391 V HA -0.201 3.920 4.120 0.001 0.000 0.248 391 V C 2.103 178.084 176.094 -0.187 0.000 1.051 391 V CA 1.208 63.404 62.300 -0.172 0.000 1.048 391 V CB -0.314 31.356 31.823 -0.254 0.000 0.666 391 V HN 0.197 nan 8.190 nan 0.000 0.456 392 L N 0.048 121.167 121.223 -0.173 0.000 2.131 392 L HA -0.160 4.181 4.340 0.001 0.000 0.210 392 L C 2.095 178.893 176.870 -0.119 0.000 1.092 392 L CA 1.852 56.607 54.840 -0.141 0.000 0.759 392 L CB -0.875 41.123 42.059 -0.101 0.000 0.903 392 L HN 0.337 nan 8.230 nan 0.000 0.435 393 D N -0.919 119.413 120.400 -0.113 0.000 2.149 393 D HA -0.090 4.550 4.640 0.001 0.000 0.201 393 D C 2.380 178.635 176.300 -0.074 0.000 0.972 393 D CA 1.017 54.964 54.000 -0.087 0.000 0.835 393 D CB 0.133 40.877 40.800 -0.094 0.000 0.966 393 D HN 0.329 nan 8.370 nan 0.000 0.476 394 I N 0.978 121.504 120.570 -0.075 0.000 2.226 394 I HA -0.226 3.945 4.170 0.001 0.000 0.245 394 I C 2.128 178.201 176.117 -0.073 0.000 1.100 394 I CA 0.540 61.818 61.300 -0.036 0.000 1.374 394 I CB -0.011 38.005 38.000 0.026 0.000 1.057 394 I HN -0.018 nan 8.210 nan 0.000 0.413 395 I N 1.002 121.482 120.570 -0.150 0.000 2.252 395 I HA -0.205 3.965 4.170 0.001 0.000 0.245 395 I C 2.869 178.916 176.117 -0.116 0.000 1.102 395 I CA 1.523 62.716 61.300 -0.177 0.000 1.385 395 I CB -1.698 36.153 38.000 -0.248 0.000 1.064 395 I HN 0.148 nan 8.210 nan 0.000 0.414 396 A N 1.069 123.831 122.820 -0.097 0.000 1.902 396 A HA -0.236 4.084 4.320 0.001 0.000 0.217 396 A C 2.446 179.996 177.584 -0.057 0.000 1.181 396 A CA 2.657 54.650 52.037 -0.073 0.000 0.623 396 A CB -1.215 17.751 19.000 -0.055 0.000 0.818 396 A HN 0.541 nan 8.150 nan 0.000 0.443 397 T N -0.773 113.753 114.554 -0.046 0.000 2.962 397 T HA -0.042 4.308 4.350 0.001 0.000 0.270 397 T C 1.339 176.023 174.700 -0.026 0.000 1.088 397 T CA 1.259 63.341 62.100 -0.029 0.000 1.127 397 T CB -0.709 68.150 68.868 -0.016 0.000 0.883 397 T HN 0.773 nan 8.240 nan 0.000 0.493 398 I N -1.360 119.190 120.570 -0.035 0.000 3.858 398 I HA 0.349 4.520 4.170 0.001 0.000 0.325 398 I C -0.488 175.600 176.117 -0.048 0.000 1.403 398 I CA -0.661 60.621 61.300 -0.030 0.000 1.169 398 I CB -0.753 37.238 38.000 -0.015 0.000 1.077 398 I HN -0.040 nan 8.210 nan 0.000 0.403 399 N N 2.295 120.960 118.700 -0.059 0.000 2.738 399 N HA -0.146 4.595 4.740 0.001 0.000 0.249 399 N C -0.622 174.819 175.510 -0.114 0.000 1.047 399 N CA 1.000 54.004 53.050 -0.076 0.000 0.707 399 N CB -0.779 37.674 38.487 -0.057 0.000 0.937 399 N HN 0.580 nan 8.380 nan 0.000 0.545 400 K N -0.241 120.075 120.400 -0.140 0.000 2.443 400 K HA 0.688 5.008 4.320 0.001 0.000 0.251 400 K C 0.781 177.227 176.600 -0.257 0.000 0.972 400 K CA -0.476 55.689 56.287 -0.204 0.000 0.833 400 K CB 1.987 34.395 32.500 -0.154 0.000 1.317 400 K HN 0.144 nan 8.250 nan 0.000 0.441 401 G N 0.130 108.662 108.800 -0.447 0.000 2.502 401 G HA2 0.478 4.438 3.960 0.001 0.000 0.305 401 G HA3 0.478 4.438 3.960 0.001 0.000 0.305 401 G C -0.790 174.079 174.900 -0.053 0.000 1.190 401 G CA -0.240 44.613 45.100 -0.413 0.000 0.933 401 G HN 0.339 nan 8.290 nan 0.000 0.503 402 S N -0.888 114.898 115.700 0.143 0.000 2.526 402 S HA 0.620 5.090 4.470 0.001 0.000 0.293 402 S C -0.609 173.990 174.600 -0.003 0.000 1.092 402 S CA -0.360 57.869 58.200 0.048 0.000 0.980 402 S CB 1.437 64.593 63.200 -0.073 0.000 1.048 402 S HN 0.456 nan 8.310 nan 0.000 0.483 403 I N 2.588 123.026 120.570 -0.220 0.000 2.509 403 I HA 0.641 4.811 4.170 0.001 0.000 0.293 403 I C -0.713 174.953 176.117 -0.751 0.000 1.020 403 I CA -1.080 59.908 61.300 -0.521 0.000 1.088 403 I CB 1.924 39.509 38.000 -0.691 0.000 1.267 403 I HN 0.440 nan 8.210 nan 0.000 0.430 404 V N 0.872 120.423 119.914 -0.606 0.000 2.925 404 V HA 0.553 4.674 4.120 0.001 0.000 0.311 404 V C -1.022 174.964 176.094 -0.179 0.000 1.104 404 V CA -0.963 61.114 62.300 -0.372 0.000 0.954 404 V CB 1.615 33.383 31.823 -0.090 0.000 1.022 404 V HN 0.759 nan 8.190 nan 0.000 0.427 405 W N 1.812 123.254 121.300 0.237 0.000 2.137 405 W HA 0.309 4.970 4.660 0.001 0.000 0.344 405 W C 2.110 178.820 176.519 0.317 0.000 1.286 405 W CA 0.427 57.994 57.345 0.370 0.000 1.240 405 W CB 0.831 30.520 29.460 0.383 0.000 1.141 405 W HN 0.910 nan 8.180 nan 0.000 0.579 406 Q N 0.172 120.363 119.800 0.653 0.000 2.248 406 Q HA -0.285 4.055 4.340 0.001 0.000 0.208 406 Q C 1.139 177.357 176.000 0.363 0.000 0.984 406 Q CA 2.109 58.147 55.803 0.391 0.000 0.875 406 Q CB -0.243 28.648 28.738 0.254 0.000 0.910 406 Q HN 0.621 nan 8.270 nan 0.000 0.433 407 E N 0.890 121.330 120.200 0.400 0.000 2.118 407 E HA -0.150 4.201 4.350 0.001 0.000 0.195 407 E C 2.046 178.804 176.600 0.264 0.000 0.992 407 E CA 1.524 58.100 56.400 0.295 0.000 0.804 407 E CB -0.143 29.735 29.700 0.298 0.000 0.741 407 E HN 0.211 nan 8.360 nan 0.000 0.458 408 V N 0.580 120.667 119.914 0.289 0.000 2.324 408 V HA -0.273 3.848 4.120 0.001 0.000 0.250 408 V C 1.922 178.122 176.094 0.177 0.000 1.060 408 V CA 1.992 64.428 62.300 0.226 0.000 1.042 408 V CB -0.449 31.491 31.823 0.194 0.000 0.650 408 V HN 0.287 nan 8.190 nan 0.000 0.450 409 F N 1.268 121.240 119.950 0.036 0.000 2.149 409 F HA -0.069 4.458 4.527 0.001 0.000 0.294 409 F C 2.142 177.963 175.800 0.036 0.000 1.095 409 F CA 1.675 59.665 58.000 -0.016 0.000 1.276 409 F CB -0.358 38.609 39.000 -0.054 0.000 1.023 409 F HN 0.181 nan 8.300 nan 0.000 0.480 410 D N 0.320 120.780 120.400 0.101 0.000 2.182 410 D HA -0.162 4.478 4.640 0.001 0.000 0.201 410 D C 1.187 177.456 176.300 -0.052 0.000 0.986 410 D CA 1.422 55.419 54.000 -0.005 0.000 0.847 410 D CB -0.470 40.398 40.800 0.114 0.000 0.942 410 D HN 0.364 nan 8.370 nan 0.000 0.467 411 D N 0.168 120.580 120.400 0.022 0.000 2.336 411 D HA 0.047 4.687 4.640 0.001 0.000 0.228 411 D C 0.145 176.438 176.300 -0.012 0.000 1.120 411 D CA 0.012 54.042 54.000 0.050 0.000 0.839 411 D CB 0.080 40.982 40.800 0.171 0.000 0.932 411 D HN 0.210 nan 8.370 nan 0.000 0.509 412 K N -0.723 119.609 120.400 -0.114 0.000 3.167 412 K HA -0.155 4.165 4.320 0.001 0.000 0.272 412 K C 0.038 176.600 176.600 -0.063 0.000 1.137 412 K CA 0.409 56.618 56.287 -0.130 0.000 0.800 412 K CB -1.839 30.605 32.500 -0.093 0.000 1.253 412 K HN 0.238 nan 8.250 nan 0.000 0.497 413 A N 1.412 124.214 122.820 -0.031 0.000 2.351 413 A HA 0.291 4.612 4.320 0.001 0.000 0.257 413 A C 0.173 177.760 177.584 0.006 0.000 1.087 413 A CA -0.163 51.881 52.037 0.011 0.000 0.798 413 A CB 0.392 19.420 19.000 0.047 0.000 1.033 413 A HN 0.248 nan 8.150 nan 0.000 0.488 414 K N 1.618 122.033 120.400 0.025 0.000 2.285 414 K HA 0.412 4.732 4.320 0.001 0.000 0.286 414 K C -1.092 175.539 176.600 0.050 0.000 1.072 414 K CA 0.188 56.508 56.287 0.056 0.000 0.913 414 K CB 0.601 33.135 32.500 0.056 0.000 1.067 414 K HN 0.537 nan 8.250 nan 0.000 0.479 415 L N 2.550 123.819 121.223 0.076 0.000 2.309 415 L HA 0.435 4.775 4.340 0.001 0.000 0.282 415 L C 0.430 177.432 176.870 0.220 0.000 1.036 415 L CA -0.926 53.924 54.840 0.016 0.000 0.806 415 L CB 1.572 43.384 42.059 -0.413 0.000 1.220 415 L HN 0.636 nan 8.230 nan 0.000 0.429 416 A N 4.241 127.151 122.820 0.149 0.000 2.407 416 A HA 0.516 4.836 4.320 0.001 0.000 0.248 416 A C -2.303 175.454 177.584 0.288 0.000 1.082 416 A CA -1.169 50.970 52.037 0.171 0.000 0.785 416 A CB -0.365 18.682 19.000 0.079 0.000 1.020 416 A HN 0.464 nan 8.150 nan 0.000 0.489 417 P HA 0.267 nan 4.420 nan 0.000 0.264 417 P C 1.017 178.423 177.300 0.176 0.000 1.183 417 P CA 1.839 65.037 63.100 0.163 0.000 0.763 417 P CB 0.641 32.374 31.700 0.056 0.000 0.807 418 G N 1.454 110.380 108.800 0.211 0.000 2.234 418 G HA2 -0.215 3.745 3.960 0.001 0.000 0.235 418 G HA3 -0.215 3.745 3.960 0.001 0.000 0.235 418 G C 0.324 175.371 174.900 0.244 0.000 0.997 418 G CA -0.046 45.174 45.100 0.200 0.000 0.623 418 G HN 0.599 nan 8.290 nan 0.000 0.514 419 T N 2.050 116.751 114.554 0.246 0.000 2.867 419 T HA 0.473 4.823 4.350 0.001 0.000 0.297 419 T C 0.815 175.534 174.700 0.030 0.000 0.989 419 T CA 0.413 62.575 62.100 0.102 0.000 1.159 419 T CB 0.902 69.744 68.868 -0.043 0.000 0.928 419 T HN 0.360 nan 8.240 nan 0.000 0.538 420 I N 3.103 123.615 120.570 -0.096 0.000 2.440 420 I HA 0.364 4.535 4.170 0.001 0.000 0.294 420 I C -0.076 175.876 176.117 -0.275 0.000 0.995 420 I CA -0.860 60.309 61.300 -0.217 0.000 1.306 420 I CB 1.384 39.145 38.000 -0.399 0.000 1.407 420 I HN 0.242 nan 8.210 nan 0.000 0.501 421 V N 5.247 125.007 119.914 -0.258 0.000 2.417 421 V HA 0.271 4.391 4.120 0.001 0.000 0.291 421 V C -0.105 175.882 176.094 -0.178 0.000 1.024 421 V CA -0.636 61.528 62.300 -0.227 0.000 0.861 421 V CB 1.594 33.247 31.823 -0.285 0.000 0.985 421 V HN 0.717 nan 8.190 nan 0.000 0.436 422 E N 3.644 123.803 120.200 -0.069 0.000 2.081 422 E HA 0.440 4.791 4.350 0.001 0.000 0.276 422 E C -1.175 175.638 176.600 0.355 0.000 0.950 422 E CA -0.498 55.946 56.400 0.074 0.000 0.776 422 E CB 1.669 31.390 29.700 0.035 0.000 1.094 422 E HN 0.509 nan 8.360 nan 0.000 0.402 423 V N 7.594 127.634 119.914 0.210 0.000 2.389 423 V HA 0.052 4.173 4.120 0.001 0.000 0.264 423 V C 0.595 176.868 176.094 0.299 0.000 1.049 423 V CA -0.118 62.298 62.300 0.192 0.000 0.932 423 V CB 0.061 31.900 31.823 0.028 0.000 1.011 423 V HN 0.809 nan 8.190 nan 0.000 0.475 424 W N 3.720 125.150 121.300 0.217 0.000 2.868 424 W HA 0.361 5.021 4.660 0.001 0.000 0.320 424 W C 0.078 176.564 176.519 -0.055 0.000 1.076 424 W CA -0.733 56.719 57.345 0.179 0.000 1.576 424 W CB 0.210 29.834 29.460 0.273 0.000 1.030 424 W HN 0.325 nan 8.180 nan 0.000 0.558 425 K N 2.951 122.878 120.400 -0.790 0.000 2.285 425 K HA 0.002 4.323 4.320 0.001 0.000 0.286 425 K C 0.765 177.182 176.600 -0.305 0.000 1.072 425 K CA -0.182 55.622 56.287 -0.805 0.000 0.913 425 K CB 1.343 33.310 32.500 -0.888 0.000 1.067 425 K HN -0.237 nan 8.250 nan 0.000 0.479 426 D N 1.447 121.713 120.400 -0.223 0.000 2.263 426 D HA -0.089 4.552 4.640 0.001 0.000 0.208 426 D C -0.320 176.000 176.300 0.034 0.000 0.971 426 D CA 0.797 54.797 54.000 0.000 0.000 0.867 426 D CB 0.307 41.085 40.800 -0.037 0.000 0.929 426 D HN 0.335 nan 8.370 nan 0.000 0.492 427 S N 0.208 115.859 115.700 -0.081 0.000 2.465 427 S HA 0.353 4.823 4.470 0.001 0.000 0.307 427 S C 0.717 175.272 174.600 -0.075 0.000 1.187 427 S CA 0.293 58.445 58.200 -0.080 0.000 1.141 427 S CB 0.649 63.786 63.200 -0.107 0.000 1.108 427 S HN 0.380 nan 8.310 nan 0.000 0.525 428 A N 2.225 124.985 122.820 -0.100 0.000 2.791 428 A HA -0.244 4.076 4.320 0.001 0.000 0.292 428 A C 0.849 178.360 177.584 -0.122 0.000 1.487 428 A CA 1.248 53.203 52.037 -0.137 0.000 0.760 428 A CB -2.650 16.298 19.000 -0.087 0.000 1.031 428 A HN 1.228 nan 8.150 nan 0.000 0.503 429 Y N -2.346 117.897 120.300 -0.095 0.000 2.333 429 Y HA 0.059 4.610 4.550 0.001 0.000 0.290 429 Y C -0.468 175.375 175.900 -0.095 0.000 1.144 429 Y CA 1.051 59.087 58.100 -0.105 0.000 1.228 429 Y CB -1.760 36.632 38.460 -0.114 0.000 0.985 429 Y HN 0.399 nan 8.280 nan 0.000 0.542 430 P HA -0.118 nan 4.420 nan 0.000 0.216 430 P C 1.091 178.360 177.300 -0.052 0.000 1.150 430 P CA 2.192 65.211 63.100 -0.135 0.000 0.837 430 P CB 0.105 31.689 31.700 -0.194 0.000 0.786 431 E N -0.514 119.653 120.200 -0.055 0.000 2.047 431 E HA -0.204 4.146 4.350 0.001 0.000 0.191 431 E C 1.999 178.594 176.600 -0.010 0.000 0.987 431 E CA 1.101 57.496 56.400 -0.008 0.000 0.799 431 E CB -0.803 28.890 29.700 -0.011 0.000 0.752 431 E HN 0.233 nan 8.360 nan 0.000 0.449 432 E N 0.709 120.899 120.200 -0.017 0.000 2.085 432 E HA -0.164 4.186 4.350 0.001 0.000 0.194 432 E C 1.833 178.377 176.600 -0.094 0.000 0.994 432 E CA 1.091 57.490 56.400 -0.003 0.000 0.801 432 E CB -0.302 29.404 29.700 0.009 0.000 0.743 432 E HN 0.243 nan 8.360 nan 0.000 0.453 433 L N -0.035 121.064 121.223 -0.207 0.000 2.042 433 L HA -0.210 4.131 4.340 0.001 0.000 0.210 433 L C 2.558 179.119 176.870 -0.516 0.000 1.076 433 L CA 1.462 55.995 54.840 -0.512 0.000 0.749 433 L CB -0.569 40.890 42.059 -1.000 0.000 0.893 433 L HN 0.126 nan 8.230 nan 0.000 0.432 434 S N -0.440 115.095 115.700 -0.275 0.000 2.353 434 S HA -0.186 4.285 4.470 0.001 0.000 0.222 434 S C 2.036 176.676 174.600 0.067 0.000 1.035 434 S CA 1.232 59.470 58.200 0.064 0.000 1.025 434 S CB -0.258 63.045 63.200 0.172 0.000 0.902 434 S HN 0.344 nan 8.310 nan 0.000 0.440 435 R N 0.422 120.963 120.500 0.067 0.000 2.080 435 R HA -0.098 4.242 4.340 0.001 0.000 0.236 435 R C 2.306 178.691 176.300 0.142 0.000 1.137 435 R CA 1.589 57.788 56.100 0.165 0.000 0.943 435 R CB -0.886 29.570 30.300 0.260 0.000 0.846 435 R HN 0.269 nan 8.270 nan 0.000 0.431 436 V N 0.894 120.738 119.914 -0.117 0.000 2.255 436 V HA -0.279 3.842 4.120 0.001 0.000 0.247 436 V C 2.634 178.665 176.094 -0.105 0.000 1.051 436 V CA 2.426 64.466 62.300 -0.434 0.000 1.018 436 V CB -0.963 30.541 31.823 -0.531 0.000 0.641 436 V HN 0.601 nan 8.190 nan 0.000 0.445 437 T N -0.931 113.598 114.554 -0.042 0.000 2.867 437 T HA -0.107 4.244 4.350 0.001 0.000 0.268 437 T C 1.924 176.666 174.700 0.071 0.000 1.057 437 T CA 1.367 63.497 62.100 0.050 0.000 1.136 437 T CB -0.513 68.450 68.868 0.158 0.000 0.874 437 T HN 0.474 nan 8.240 nan 0.000 0.466 438 A N 1.628 124.506 122.820 0.098 0.000 1.940 438 A HA -0.006 4.314 4.320 0.001 0.000 0.219 438 A C 2.551 180.188 177.584 0.089 0.000 1.176 438 A CA 1.751 53.850 52.037 0.103 0.000 0.631 438 A CB -0.960 18.115 19.000 0.125 0.000 0.814 438 A HN 0.523 nan 8.150 nan 0.000 0.446 439 S N -1.625 114.157 115.700 0.138 0.000 2.607 439 S HA 0.327 4.797 4.470 0.001 0.000 0.224 439 S C 1.400 175.907 174.600 -0.155 0.000 0.969 439 S CA 0.882 59.172 58.200 0.149 0.000 0.927 439 S CB -0.136 63.385 63.200 0.534 0.000 0.772 439 S HN 1.606 nan 8.310 nan 0.000 0.533 440 G N 0.799 109.507 108.800 -0.153 0.000 2.143 440 G HA2 -0.247 3.713 3.960 0.001 0.000 0.249 440 G HA3 -0.247 3.713 3.960 0.001 0.000 0.249 440 G C -0.098 174.564 174.900 -0.397 0.000 0.981 440 G CA -0.286 44.647 45.100 -0.277 0.000 0.665 440 G HN 0.432 nan 8.290 nan 0.000 0.528 441 F N 2.149 122.076 119.950 -0.037 0.000 2.399 441 F HA 0.542 5.070 4.527 0.001 0.000 0.334 441 F C -1.251 174.486 175.800 -0.105 0.000 1.097 441 F CA -2.592 55.363 58.000 -0.075 0.000 1.076 441 F CB 1.425 40.346 39.000 -0.132 0.000 1.162 441 F HN -0.147 nan 8.300 nan 0.000 0.495 442 P HA 0.147 nan 4.420 nan 0.000 0.272 442 P C -0.921 176.311 177.300 -0.113 0.000 1.223 442 P CA -0.039 63.048 63.100 -0.022 0.000 0.784 442 P CB 2.019 33.694 31.700 -0.042 0.000 0.923 443 V N 3.253 123.043 119.914 -0.206 0.000 3.007 443 V HA 0.556 4.676 4.120 0.001 0.000 0.311 443 V C -0.882 174.899 176.094 -0.522 0.000 1.120 443 V CA -1.078 61.038 62.300 -0.307 0.000 0.980 443 V CB 2.054 33.730 31.823 -0.245 0.000 1.033 443 V HN 0.329 nan 8.190 nan 0.000 0.429 444 I N 5.445 125.736 120.570 -0.465 0.000 2.545 444 I HA 0.470 4.641 4.170 0.001 0.000 0.292 444 I C -1.152 174.803 176.117 -0.270 0.000 1.040 444 I CA -0.783 60.209 61.300 -0.514 0.000 1.068 444 I CB 1.934 39.627 38.000 -0.513 0.000 1.251 444 I HN 0.475 nan 8.210 nan 0.000 0.424 445 L N 5.706 126.807 121.223 -0.202 0.000 2.282 445 L HA 0.465 4.806 4.340 0.001 0.000 0.288 445 L C 0.676 177.677 176.870 0.217 0.000 1.033 445 L CA 0.602 55.456 54.840 0.023 0.000 0.807 445 L CB 1.569 43.682 42.059 0.090 0.000 1.209 445 L HN 0.735 nan 8.230 nan 0.000 0.423 446 S N 2.699 118.541 115.700 0.237 0.000 2.631 446 S HA 0.224 4.695 4.470 0.001 0.000 0.246 446 S C 1.647 176.452 174.600 0.342 0.000 1.068 446 S CA 0.238 58.696 58.200 0.429 0.000 0.995 446 S CB -0.144 63.404 63.200 0.580 0.000 0.944 446 S HN 0.740 nan 8.310 nan 0.000 0.529 447 A N 3.729 126.590 122.820 0.068 0.000 1.909 447 A HA -0.085 4.235 4.320 0.001 0.000 0.221 447 A C 0.130 177.612 177.584 -0.170 0.000 1.223 447 A CA 2.339 54.300 52.037 -0.126 0.000 0.658 447 A CB -1.960 16.781 19.000 -0.431 0.000 0.831 447 A HN 0.648 nan 8.150 nan 0.000 0.462 448 P HA 0.039 nan 4.420 nan 0.000 0.257 448 P C -0.519 176.764 177.300 -0.028 0.000 1.281 448 P CA 0.270 63.200 63.100 -0.283 0.000 0.826 448 P CB 0.082 31.470 31.700 -0.520 0.000 1.237 449 W N -0.085 121.361 121.300 0.244 0.000 1.689 449 W HA 0.286 4.946 4.660 0.001 0.000 0.294 449 W C -0.712 175.857 176.519 0.083 0.000 0.824 449 W CA -0.820 56.565 57.345 0.066 0.000 2.398 449 W CB -0.506 28.956 29.460 0.003 0.000 2.375 449 W HN -0.102 nan 8.180 nan 0.000 0.478 450 Y N 1.515 121.936 120.300 0.203 0.000 2.691 450 Y HA 0.130 4.681 4.550 0.001 0.000 0.338 450 Y C 1.224 177.203 175.900 0.131 0.000 1.148 450 Y CA -0.489 57.732 58.100 0.202 0.000 1.430 450 Y CB 0.176 38.793 38.460 0.262 0.000 1.303 450 Y HN -0.103 nan 8.280 nan 0.000 0.499 451 L N 1.814 123.030 121.223 -0.011 0.000 2.456 451 L HA -0.157 4.183 4.340 0.001 0.000 0.224 451 L C 2.024 178.940 176.870 0.077 0.000 1.148 451 L CA 1.148 55.966 54.840 -0.037 0.000 0.825 451 L CB -0.416 41.507 42.059 -0.227 0.000 0.937 451 L HN 0.574 nan 8.230 nan 0.000 0.450 452 D N -0.574 119.894 120.400 0.113 0.000 2.277 452 D HA -0.162 4.478 4.640 0.001 0.000 0.208 452 D C 0.982 177.422 176.300 0.233 0.000 0.962 452 D CA 0.438 54.541 54.000 0.171 0.000 0.865 452 D CB -0.143 40.796 40.800 0.232 0.000 0.939 452 D HN 0.277 nan 8.370 nan 0.000 0.510 453 L N 2.663 124.054 121.223 0.281 0.000 2.395 453 L HA 0.270 4.610 4.340 0.001 0.000 0.268 453 L C 0.739 177.748 176.870 0.231 0.000 1.223 453 L CA -0.624 54.368 54.840 0.253 0.000 1.093 453 L CB -0.292 41.936 42.059 0.281 0.000 1.349 453 L HN 0.044 nan 8.230 nan 0.000 0.427 454 I N -0.261 120.416 120.570 0.179 0.000 2.882 454 I HA 0.551 4.722 4.170 0.001 0.000 0.286 454 I C 0.510 176.711 176.117 0.140 0.000 1.139 454 I CA -0.006 61.394 61.300 0.165 0.000 1.379 454 I CB 1.296 39.372 38.000 0.127 0.000 1.410 454 I HN 0.514 nan 8.210 nan 0.000 0.594 455 S N 2.687 118.471 115.700 0.141 0.000 2.615 455 S HA 0.371 4.842 4.470 0.001 0.000 0.269 455 S C -1.030 173.669 174.600 0.164 0.000 1.161 455 S CA -0.872 57.411 58.200 0.137 0.000 0.817 455 S CB 0.955 64.224 63.200 0.114 0.000 1.131 455 S HN 0.741 nan 8.310 nan 0.000 0.467 456 Y N 1.946 122.279 120.300 0.055 0.000 2.442 456 Y HA 0.491 5.042 4.550 0.001 0.000 0.330 456 Y C 0.941 176.884 175.900 0.071 0.000 1.129 456 Y CA 1.911 60.047 58.100 0.062 0.000 1.365 456 Y CB -0.042 38.447 38.460 0.049 0.000 1.233 456 Y HN 1.655 nan 8.280 nan 0.000 0.529 457 G N 4.538 112.943 108.800 -0.658 0.000 2.587 457 G HA2 -0.208 3.752 3.960 0.001 0.000 0.212 457 G HA3 -0.208 3.752 3.960 0.001 0.000 0.212 457 G C -0.823 174.013 174.900 -0.107 0.000 1.327 457 G CA -0.408 44.405 45.100 -0.479 0.000 0.898 457 G HN 0.720 nan 8.290 nan 0.000 0.551 458 Q N 1.366 121.146 119.800 -0.033 0.000 3.254 458 Q HA 0.170 4.510 4.340 0.001 0.000 0.315 458 Q C 0.986 176.922 176.000 -0.107 0.000 1.405 458 Q CA 0.452 56.307 55.803 0.088 0.000 0.966 458 Q CB 0.014 28.811 28.738 0.098 0.000 1.706 458 Q HN 0.628 nan 8.270 nan 0.000 0.525 459 D N 0.293 120.671 120.400 -0.037 0.000 2.371 459 D HA -0.201 4.440 4.640 0.001 0.000 0.221 459 D C 1.434 177.562 176.300 -0.286 0.000 0.986 459 D CA 0.238 54.118 54.000 -0.200 0.000 0.899 459 D CB -0.374 40.339 40.800 -0.145 0.000 0.902 459 D HN 0.672 nan 8.370 nan 0.000 0.530 460 W N 1.962 123.258 121.300 -0.007 0.000 2.392 460 W HA -0.087 4.573 4.660 0.001 0.000 0.279 460 W C 1.364 177.985 176.519 0.170 0.000 1.225 460 W CA 0.313 57.760 57.345 0.169 0.000 1.233 460 W CB -0.818 28.749 29.460 0.179 0.000 1.122 460 W HN -0.035 nan 8.180 nan 0.000 0.561 461 R N 1.702 121.637 120.500 -0.941 0.000 2.096 461 R HA -0.159 4.181 4.340 0.001 0.000 0.235 461 R C 2.378 178.528 176.300 -0.250 0.000 1.127 461 R CA 2.341 57.891 56.100 -0.916 0.000 0.968 461 R CB -0.556 29.160 30.300 -0.973 0.000 0.861 461 R HN 0.332 nan 8.270 nan 0.000 0.440 462 K N -0.303 119.948 120.400 -0.249 0.000 2.217 462 K HA -0.098 4.223 4.320 0.001 0.000 0.202 462 K C 1.289 177.967 176.600 0.131 0.000 1.051 462 K CA 1.205 57.432 56.287 -0.100 0.000 0.952 462 K CB -0.161 32.233 32.500 -0.177 0.000 0.736 462 K HN 0.111 nan 8.250 nan 0.000 0.453 463 Y N 0.148 120.666 120.300 0.364 0.000 2.263 463 Y HA -0.102 4.448 4.550 0.001 0.000 0.292 463 Y C 2.314 178.601 175.900 0.645 0.000 1.130 463 Y CA 0.316 58.790 58.100 0.623 0.000 1.179 463 Y CB -0.961 37.848 38.460 0.582 0.000 0.998 463 Y HN 0.108 nan 8.280 nan 0.000 0.532 464 Y N 1.067 121.674 120.300 0.512 0.000 2.242 464 Y HA -0.171 4.380 4.550 0.001 0.000 0.291 464 Y C 2.030 178.129 175.900 0.331 0.000 1.137 464 Y CA 1.561 59.929 58.100 0.448 0.000 1.181 464 Y CB -0.092 38.647 38.460 0.465 0.000 0.989 464 Y HN -0.036 nan 8.280 nan 0.000 0.527 465 K N -0.091 120.483 120.400 0.290 0.000 2.365 465 K HA 0.006 4.326 4.320 0.001 0.000 0.199 465 K C 0.380 177.068 176.600 0.147 0.000 1.045 465 K CA 0.263 56.644 56.287 0.156 0.000 0.962 465 K CB -0.058 32.515 32.500 0.121 0.000 0.759 465 K HN 0.001 nan 8.250 nan 0.000 0.469 466 V N 2.587 122.651 119.914 0.251 0.000 2.720 466 V HA -0.098 4.022 4.120 0.001 0.000 0.307 466 V C 0.221 176.443 176.094 0.214 0.000 1.071 466 V CA 0.479 62.925 62.300 0.243 0.000 1.199 466 V CB 0.700 32.713 31.823 0.318 0.000 0.900 466 V HN 0.214 nan 8.190 nan 0.000 0.494 467 E N 7.546 127.836 120.200 0.150 0.000 2.331 467 E HA 0.403 4.754 4.350 0.001 0.000 0.243 467 E C -2.056 174.602 176.600 0.097 0.000 0.925 467 E CA -2.424 54.045 56.400 0.115 0.000 0.760 467 E CB 1.742 31.477 29.700 0.058 0.000 1.254 467 E HN 0.302 nan 8.360 nan 0.000 0.419 468 P HA -0.154 nan 4.420 nan 0.000 0.216 468 P C 0.851 178.035 177.300 -0.194 0.000 1.153 468 P CA 1.085 64.130 63.100 -0.092 0.000 0.858 468 P CB 0.210 31.745 31.700 -0.275 0.000 0.789 469 L N -0.997 120.109 121.223 -0.195 0.000 2.675 469 L HA 0.029 4.370 4.340 0.001 0.000 0.239 469 L C 0.203 176.917 176.870 -0.261 0.000 1.151 469 L CA 0.418 55.100 54.840 -0.264 0.000 0.905 469 L CB -0.683 41.252 42.059 -0.207 0.000 1.057 469 L HN -0.114 nan 8.230 nan 0.000 0.435 470 D N 1.440 121.807 120.400 -0.055 0.000 2.713 470 D HA 0.241 4.881 4.640 0.001 0.000 0.229 470 D C -0.286 176.049 176.300 0.058 0.000 1.136 470 D CA 0.212 54.185 54.000 -0.045 0.000 1.010 470 D CB -0.183 40.612 40.800 -0.008 0.000 1.084 470 D HN 0.097 nan 8.370 nan 0.000 0.495 471 F N -2.331 117.587 119.950 -0.053 0.000 2.685 471 F HA 0.673 5.200 4.527 0.001 0.000 0.315 471 F C 0.287 176.074 175.800 -0.020 0.000 1.126 471 F CA -1.769 56.208 58.000 -0.039 0.000 0.950 471 F CB 0.662 39.655 39.000 -0.012 0.000 1.360 471 F HN -0.094 nan 8.300 nan 0.000 0.469 472 G N 0.326 109.276 108.800 0.249 0.000 2.394 472 G HA2 0.525 4.486 3.960 0.001 0.000 0.298 472 G HA3 0.525 4.486 3.960 0.001 0.000 0.298 472 G C -0.356 174.637 174.900 0.155 0.000 1.087 472 G CA 0.032 45.200 45.100 0.113 0.000 1.035 472 G HN 1.351 nan 8.290 nan 0.000 0.420 473 G N 1.222 110.008 108.800 -0.025 0.000 2.489 473 G HA2 0.636 4.597 3.960 0.001 0.000 0.291 473 G HA3 0.636 4.597 3.960 0.001 0.000 0.291 473 G C -0.150 174.725 174.900 -0.042 0.000 1.487 473 G CA -0.022 45.095 45.100 0.029 0.000 0.795 473 G HN 0.846 nan 8.290 nan 0.000 0.513 474 T N -1.297 113.263 114.554 0.011 0.000 2.726 474 T HA 0.265 4.615 4.350 0.001 0.000 0.294 474 T C 1.388 176.079 174.700 -0.014 0.000 1.013 474 T CA 0.278 62.376 62.100 -0.004 0.000 0.996 474 T CB 1.191 70.069 68.868 0.017 0.000 1.016 474 T HN 0.531 nan 8.240 nan 0.000 0.529 475 Q N 0.453 120.245 119.800 -0.014 0.000 2.124 475 Q HA -0.110 4.230 4.340 0.001 0.000 0.202 475 Q C 2.228 178.240 176.000 0.020 0.000 0.977 475 Q CA 1.894 57.691 55.803 -0.010 0.000 0.850 475 Q CB -0.428 28.304 28.738 -0.011 0.000 0.901 475 Q HN 0.830 nan 8.270 nan 0.000 0.429 476 K N -0.561 119.856 120.400 0.028 0.000 2.057 476 K HA -0.172 4.149 4.320 0.001 0.000 0.206 476 K C 2.108 178.753 176.600 0.076 0.000 1.050 476 K CA 1.353 57.666 56.287 0.044 0.000 0.935 476 K CB -0.039 32.480 32.500 0.032 0.000 0.715 476 K HN 0.287 nan 8.250 nan 0.000 0.439 477 Q N 0.141 119.996 119.800 0.091 0.000 2.050 477 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 477 Q C 1.913 178.060 176.000 0.244 0.000 0.980 477 Q CA 1.321 57.223 55.803 0.165 0.000 0.840 477 Q CB 0.142 29.001 28.738 0.202 0.000 0.898 477 Q HN 0.138 nan 8.270 nan 0.000 0.424 478 K N 0.652 121.145 120.400 0.155 0.000 2.152 478 K HA -0.179 4.141 4.320 0.001 0.000 0.206 478 K C 1.851 178.607 176.600 0.260 0.000 1.048 478 K CA 1.226 57.614 56.287 0.169 0.000 0.933 478 K CB -0.188 32.301 32.500 -0.017 0.000 0.721 478 K HN 0.366 nan 8.250 nan 0.000 0.447 479 Q N 0.232 120.138 119.800 0.177 0.000 2.224 479 Q HA 0.005 4.345 4.340 0.001 0.000 0.203 479 Q C 1.925 178.035 176.000 0.183 0.000 0.970 479 Q CA 0.659 56.560 55.803 0.164 0.000 0.865 479 Q CB -0.021 28.775 28.738 0.097 0.000 0.922 479 Q HN 0.248 nan 8.270 nan 0.000 0.445 480 L N -0.381 120.955 121.223 0.187 0.000 2.552 480 L HA 0.011 4.351 4.340 0.001 0.000 0.227 480 L C 0.475 177.434 176.870 0.148 0.000 1.146 480 L CA -0.225 54.697 54.840 0.137 0.000 0.858 480 L CB 0.046 42.166 42.059 0.103 0.000 0.969 480 L HN 0.140 nan 8.230 nan 0.000 0.451 481 F N 1.736 121.767 119.950 0.136 0.000 2.434 481 F HA 0.145 4.673 4.527 0.001 0.000 0.358 481 F C 1.306 177.162 175.800 0.093 0.000 1.136 481 F CA -0.474 57.588 58.000 0.103 0.000 1.157 481 F CB 0.451 39.579 39.000 0.213 0.000 1.167 481 F HN -0.031 nan 8.300 nan 0.000 0.539 482 I N 2.728 123.131 120.570 -0.278 0.000 3.728 482 I HA 0.569 4.739 4.170 0.001 0.000 0.307 482 I C 0.874 176.934 176.117 -0.095 0.000 1.276 482 I CA 0.498 61.754 61.300 -0.074 0.000 1.285 482 I CB -0.464 37.476 38.000 -0.101 0.000 1.038 482 I HN 0.647 nan 8.210 nan 0.000 0.445 483 G N 0.275 108.730 108.800 -0.576 0.000 2.332 483 G HA2 0.411 4.371 3.960 0.001 0.000 0.265 483 G HA3 0.411 4.371 3.960 0.001 0.000 0.265 483 G C -0.897 173.821 174.900 -0.303 0.000 1.329 483 G CA -0.345 44.575 45.100 -0.300 0.000 0.949 483 G HN 0.576 nan 8.290 nan 0.000 0.476 484 G N -1.381 107.477 108.800 0.098 0.000 2.663 484 G HA2 0.730 4.691 3.960 0.001 0.000 0.299 484 G HA3 0.730 4.691 3.960 0.001 0.000 0.299 484 G C -1.696 173.417 174.900 0.355 0.000 1.372 484 G CA -0.222 45.046 45.100 0.281 0.000 0.781 484 G HN 0.718 nan 8.290 nan 0.000 0.491 485 E N -1.050 119.394 120.200 0.407 0.000 2.331 485 E HA 0.561 4.911 4.350 0.001 0.000 0.275 485 E C -0.853 175.908 176.600 0.269 0.000 0.895 485 E CA -0.995 55.592 56.400 0.312 0.000 0.753 485 E CB 2.649 32.522 29.700 0.289 0.000 1.216 485 E HN 0.706 nan 8.360 nan 0.000 0.434 486 A N 1.767 124.625 122.820 0.063 0.000 2.260 486 A HA 0.504 4.824 4.320 0.001 0.000 0.314 486 A C -0.468 176.975 177.584 -0.234 0.000 1.257 486 A CA -0.499 51.492 52.037 -0.078 0.000 0.871 486 A CB 0.136 18.991 19.000 -0.242 0.000 1.166 486 A HN 0.656 nan 8.150 nan 0.000 0.522 487 C N 2.762 121.888 119.300 -0.291 0.000 2.355 487 C HA 0.621 5.081 4.460 0.001 0.000 0.332 487 C C 0.122 174.757 174.990 -0.592 0.000 1.255 487 C CA -0.534 58.125 59.018 -0.597 0.000 1.792 487 C CB 0.087 27.305 27.740 -0.871 0.000 2.300 487 C HN 0.805 nan 8.230 nan 0.000 0.515 488 L N -0.239 120.596 121.223 -0.647 0.000 2.445 488 L HA 0.535 4.876 4.340 0.001 0.000 0.252 488 L C -0.780 175.835 176.870 -0.426 0.000 1.105 488 L CA -0.435 54.154 54.840 -0.417 0.000 0.943 488 L CB -0.385 41.472 42.059 -0.337 0.000 1.277 488 L HN 0.686 nan 8.230 nan 0.000 0.465 489 W N 1.252 122.408 121.300 -0.240 0.000 2.148 489 W HA 0.444 5.104 4.660 0.001 0.000 0.347 489 W C 1.475 177.936 176.519 -0.097 0.000 1.288 489 W CA 0.295 57.510 57.345 -0.216 0.000 1.252 489 W CB 0.906 30.226 29.460 -0.233 0.000 1.156 489 W HN 0.653 nan 8.180 nan 0.000 0.580 490 G N 0.740 109.643 108.800 0.172 0.000 3.141 490 G HA2 -0.048 3.912 3.960 0.001 0.000 0.218 490 G HA3 -0.048 3.912 3.960 0.001 0.000 0.218 490 G C 0.984 175.997 174.900 0.187 0.000 1.170 490 G CA -0.075 45.127 45.100 0.170 0.000 0.769 490 G HN 0.500 nan 8.290 nan 0.000 0.546 491 E N 0.172 120.379 120.200 0.013 0.000 2.097 491 E HA -0.169 4.181 4.350 0.001 0.000 0.196 491 E C 0.634 176.979 176.600 -0.425 0.000 1.000 491 E CA 1.336 57.547 56.400 -0.316 0.000 0.804 491 E CB -0.235 29.102 29.700 -0.606 0.000 0.740 491 E HN 0.707 nan 8.360 nan 0.000 0.454 492 Y N -1.252 119.177 120.300 0.216 0.000 2.696 492 Y HA 0.352 4.903 4.550 0.001 0.000 0.260 492 Y C -0.525 175.401 175.900 0.044 0.000 1.165 492 Y CA -0.589 57.601 58.100 0.150 0.000 1.189 492 Y CB 1.007 39.528 38.460 0.101 0.000 1.180 492 Y HN -0.232 nan 8.280 nan 0.000 0.538 493 V N 1.555 121.523 119.914 0.090 0.000 2.588 493 V HA 0.456 4.576 4.120 0.001 0.000 0.304 493 V C -0.840 175.142 176.094 -0.187 0.000 1.042 493 V CA -0.720 61.563 62.300 -0.028 0.000 0.877 493 V CB 1.917 33.756 31.823 0.027 0.000 0.996 493 V HN 0.327 nan 8.190 nan 0.000 0.425 494 D N 3.623 123.890 120.400 -0.223 0.000 2.895 494 D HA 0.538 5.178 4.640 0.001 0.000 0.320 494 D C 0.923 177.179 176.300 -0.072 0.000 1.249 494 D CA 0.031 53.928 54.000 -0.172 0.000 0.997 494 D CB 1.297 41.917 40.800 -0.300 0.000 1.430 494 D HN 0.484 nan 8.370 nan 0.000 0.558 495 A N -0.648 122.156 122.820 -0.027 0.000 2.076 495 A HA -0.076 4.244 4.320 0.001 0.000 0.220 495 A C 1.899 179.475 177.584 -0.014 0.000 1.160 495 A CA 2.706 54.736 52.037 -0.012 0.000 0.653 495 A CB -1.459 17.548 19.000 0.012 0.000 0.801 495 A HN 0.732 nan 8.150 nan 0.000 0.455 496 T N -1.618 112.922 114.554 -0.024 0.000 2.995 496 T HA -0.095 4.256 4.350 0.001 0.000 0.269 496 T C 1.112 175.805 174.700 -0.010 0.000 1.091 496 T CA 1.374 63.465 62.100 -0.014 0.000 1.128 496 T CB -0.294 68.565 68.868 -0.016 0.000 0.891 496 T HN 0.666 nan 8.240 nan 0.000 0.492 497 N N -0.190 118.499 118.700 -0.019 0.000 2.067 497 N HA 0.174 4.914 4.740 0.001 0.000 0.227 497 N C 1.345 176.849 175.510 -0.009 0.000 1.348 497 N CA -0.059 52.988 53.050 -0.006 0.000 0.879 497 N CB -0.555 37.933 38.487 0.001 0.000 1.109 497 N HN 0.385 nan 8.380 nan 0.000 0.501 498 L N 1.238 122.447 121.223 -0.024 0.000 1.971 498 L HA -0.174 4.166 4.340 0.001 0.000 0.215 498 L C 1.754 178.607 176.870 -0.028 0.000 1.072 498 L CA 2.127 56.943 54.840 -0.040 0.000 0.758 498 L CB -0.802 41.227 42.059 -0.050 0.000 0.889 498 L HN 0.103 nan 8.230 nan 0.000 0.433 499 T N 0.293 114.866 114.554 0.031 0.000 2.635 499 T HA -0.125 4.225 4.350 0.001 0.000 0.267 499 T C -0.560 174.217 174.700 0.128 0.000 1.040 499 T CA 2.022 64.201 62.100 0.132 0.000 1.156 499 T CB -1.261 67.688 68.868 0.135 0.000 0.863 499 T HN 0.368 nan 8.240 nan 0.000 0.430 500 P HA -0.020 nan 4.420 nan 0.000 0.217 500 P C 1.456 178.777 177.300 0.034 0.000 1.150 500 P CA 1.051 64.188 63.100 0.062 0.000 0.832 500 P CB -0.026 31.699 31.700 0.042 0.000 0.787 501 R N -0.560 119.941 120.500 0.001 0.000 2.090 501 R HA -0.066 4.274 4.340 0.001 0.000 0.228 501 R C 2.058 178.299 176.300 -0.100 0.000 1.110 501 R CA 0.926 57.016 56.100 -0.017 0.000 0.973 501 R CB -0.906 29.387 30.300 -0.012 0.000 0.869 501 R HN 0.065 nan 8.270 nan 0.000 0.440 502 L N -0.446 120.641 121.223 -0.227 0.000 2.072 502 L HA 0.083 4.424 4.340 0.001 0.000 0.205 502 L C -0.342 176.109 176.870 -0.698 0.000 1.079 502 L CA 1.370 55.871 54.840 -0.565 0.000 0.752 502 L CB 0.007 41.577 42.059 -0.815 0.000 0.906 502 L HN 0.113 nan 8.230 nan 0.000 0.436 503 W N -0.407 120.866 121.300 -0.045 0.000 2.666 503 W HA 0.441 5.101 4.660 0.001 0.000 0.334 503 W C -1.577 174.909 176.519 -0.056 0.000 1.051 503 W CA -1.515 55.799 57.345 -0.051 0.000 1.224 503 W CB 0.571 29.987 29.460 -0.073 0.000 1.405 503 W HN -0.189 nan 8.180 nan 0.000 0.513 504 P HA 0.092 nan 4.420 nan 0.000 0.257 504 P C 0.836 178.212 177.300 0.126 0.000 1.325 504 P CA 0.290 63.471 63.100 0.135 0.000 0.850 504 P CB 0.368 31.997 31.700 -0.118 0.000 1.324 505 R N 0.809 121.383 120.500 0.123 0.000 2.083 505 R HA -0.111 4.230 4.340 0.001 0.000 0.237 505 R C 2.393 178.802 176.300 0.180 0.000 1.137 505 R CA 1.972 58.217 56.100 0.241 0.000 0.951 505 R CB -1.108 29.341 30.300 0.248 0.000 0.851 505 R HN 0.142 nan 8.270 nan 0.000 0.434 506 A N 0.384 123.148 122.820 -0.093 0.000 2.024 506 A HA -0.147 4.173 4.320 0.001 0.000 0.220 506 A C 2.108 179.901 177.584 0.349 0.000 1.164 506 A CA 1.638 53.586 52.037 -0.149 0.000 0.643 506 A CB -0.391 18.104 19.000 -0.842 0.000 0.806 506 A HN 0.254 nan 8.150 nan 0.000 0.451 507 S N -0.182 115.806 115.700 0.480 0.000 2.400 507 S HA -0.068 4.403 4.470 0.001 0.000 0.232 507 S C 2.241 177.287 174.600 0.743 0.000 1.025 507 S CA 1.067 59.654 58.200 0.645 0.000 0.993 507 S CB -0.387 62.962 63.200 0.248 0.000 0.808 507 S HN 0.815 nan 8.310 nan 0.000 0.478 508 A N 1.174 124.374 122.820 0.633 0.000 1.877 508 A HA -0.068 4.253 4.320 0.001 0.000 0.216 508 A C 2.334 180.287 177.584 0.615 0.000 1.186 508 A CA 1.645 54.202 52.037 0.867 0.000 0.620 508 A CB -0.942 18.603 19.000 0.909 0.000 0.822 508 A HN 0.352 nan 8.150 nan 0.000 0.443 509 V N 0.069 120.153 119.914 0.283 0.000 2.343 509 V HA -0.192 3.928 4.120 0.001 0.000 0.247 509 V C 2.850 178.904 176.094 -0.066 0.000 1.051 509 V CA 1.922 64.121 62.300 -0.169 0.000 1.036 509 V CB -1.642 29.878 31.823 -0.505 0.000 0.654 509 V HN 0.626 nan 8.190 nan 0.000 0.451 510 G N -0.337 108.517 108.800 0.091 0.000 2.529 510 G HA2 -0.376 3.585 3.960 0.001 0.000 0.219 510 G HA3 -0.376 3.585 3.960 0.001 0.000 0.219 510 G C 1.534 176.429 174.900 -0.008 0.000 1.177 510 G CA 1.274 46.222 45.100 -0.254 0.000 0.773 510 G HN 0.600 nan 8.290 nan 0.000 0.573 511 E N -0.175 120.124 120.200 0.166 0.000 2.072 511 E HA -0.147 4.203 4.350 0.001 0.000 0.191 511 E C 2.526 179.146 176.600 0.032 0.000 0.985 511 E CA 0.980 57.344 56.400 -0.061 0.000 0.801 511 E CB -0.089 29.382 29.700 -0.382 0.000 0.750 511 E HN 0.254 nan 8.360 nan 0.000 0.452 512 R N 0.452 120.998 120.500 0.078 0.000 2.120 512 R HA -0.034 4.307 4.340 0.001 0.000 0.234 512 R C 2.027 178.449 176.300 0.203 0.000 1.123 512 R CA 1.310 57.459 56.100 0.082 0.000 0.975 512 R CB -0.387 29.997 30.300 0.140 0.000 0.866 512 R HN 0.310 nan 8.270 nan 0.000 0.446 513 L N -1.315 120.008 121.223 0.167 0.000 2.341 513 L HA -0.011 4.330 4.340 0.001 0.000 0.214 513 L C 2.110 179.137 176.870 0.263 0.000 1.115 513 L CA 0.423 55.463 54.840 0.334 0.000 0.820 513 L CB -0.363 41.783 42.059 0.145 0.000 0.944 513 L HN 0.346 nan 8.230 nan 0.000 0.452 514 W N 0.555 121.844 121.300 -0.019 0.000 2.601 514 W HA 0.141 4.802 4.660 0.001 0.000 0.292 514 W C 0.910 177.371 176.519 -0.096 0.000 1.153 514 W CA 0.161 57.470 57.345 -0.060 0.000 1.448 514 W CB 0.032 29.437 29.460 -0.091 0.000 1.113 514 W HN -0.115 nan 8.180 nan 0.000 0.548 515 S N 1.662 117.483 115.700 0.201 0.000 2.593 515 S HA 0.092 4.563 4.470 0.001 0.000 0.269 515 S C 0.468 175.030 174.600 -0.063 0.000 1.334 515 S CA -0.055 58.198 58.200 0.087 0.000 1.015 515 S CB 1.041 64.261 63.200 0.033 0.000 0.912 515 S HN 0.212 nan 8.310 nan 0.000 0.541 516 S N 1.361 117.015 115.700 -0.076 0.000 2.573 516 S HA 0.120 4.591 4.470 0.001 0.000 0.277 516 S C 1.089 175.645 174.600 -0.073 0.000 1.346 516 S CA -0.550 57.584 58.200 -0.109 0.000 1.034 516 S CB 0.388 63.536 63.200 -0.086 0.000 0.879 516 S HN 0.790 nan 8.310 nan 0.000 0.528 517 K N 0.802 121.154 120.400 -0.080 0.000 2.127 517 K HA -0.216 4.104 4.320 0.001 0.000 0.208 517 K C 0.598 177.182 176.600 -0.027 0.000 1.047 517 K CA 2.042 58.304 56.287 -0.042 0.000 0.927 517 K CB -0.383 32.091 32.500 -0.044 0.000 0.716 517 K HN 0.695 nan 8.250 nan 0.000 0.450 518 D N 0.408 120.793 120.400 -0.026 0.000 2.363 518 D HA -0.026 4.614 4.640 0.001 0.000 0.226 518 D C -0.185 176.122 176.300 0.012 0.000 1.020 518 D CA 0.341 54.337 54.000 -0.007 0.000 0.892 518 D CB 0.226 41.020 40.800 -0.009 0.000 0.900 518 D HN -0.037 nan 8.370 nan 0.000 0.531 519 V N 1.505 121.423 119.914 0.007 0.000 2.352 519 V HA 0.193 4.313 4.120 0.001 0.000 0.253 519 V C 1.127 177.267 176.094 0.077 0.000 1.083 519 V CA 0.238 62.564 62.300 0.042 0.000 0.993 519 V CB 0.243 32.079 31.823 0.022 0.000 1.111 519 V HN 0.033 nan 8.190 nan 0.000 0.490 520 R N 1.685 122.270 120.500 0.140 0.000 2.496 520 R HA 0.135 4.476 4.340 0.001 0.000 0.369 520 R C -0.085 176.395 176.300 0.300 0.000 0.896 520 R CA -0.488 55.743 56.100 0.218 0.000 1.147 520 R CB 0.593 30.953 30.300 0.099 0.000 1.697 520 R HN 0.682 nan 8.270 nan 0.000 0.518 521 D N 1.300 121.840 120.400 0.233 0.000 2.363 521 D HA -0.011 4.629 4.640 0.001 0.000 0.263 521 D C 1.455 177.898 176.300 0.239 0.000 1.258 521 D CA 0.121 54.235 54.000 0.190 0.000 0.907 521 D CB 0.800 41.682 40.800 0.136 0.000 1.107 521 D HN -0.154 nan 8.370 nan 0.000 0.495 522 M N 2.515 122.241 119.600 0.210 0.000 2.117 522 M HA -0.117 4.363 4.480 0.001 0.000 0.262 522 M C 1.212 177.651 176.300 0.231 0.000 1.065 522 M CA 1.267 56.691 55.300 0.206 0.000 1.114 522 M CB -0.697 31.967 32.600 0.107 0.000 1.361 522 M HN 0.467 nan 8.290 nan 0.000 0.408 523 D N 0.377 120.874 120.400 0.162 0.000 2.117 523 D HA -0.160 4.480 4.640 0.001 0.000 0.197 523 D C 1.689 178.115 176.300 0.209 0.000 0.987 523 D CA 1.374 55.471 54.000 0.162 0.000 0.829 523 D CB -0.383 40.472 40.800 0.092 0.000 0.961 523 D HN 0.394 nan 8.370 nan 0.000 0.460 524 D N -0.006 120.498 120.400 0.174 0.000 2.144 524 D HA -0.046 4.595 4.640 0.001 0.000 0.200 524 D C 1.905 178.323 176.300 0.196 0.000 0.978 524 D CA 1.327 55.421 54.000 0.156 0.000 0.833 524 D CB 0.000 40.876 40.800 0.126 0.000 0.961 524 D HN 0.090 nan 8.370 nan 0.000 0.470 525 A N -0.461 122.504 122.820 0.242 0.000 1.858 525 A HA -0.175 4.146 4.320 0.001 0.000 0.216 525 A C 2.233 179.943 177.584 0.208 0.000 1.190 525 A CA 1.569 53.771 52.037 0.276 0.000 0.617 525 A CB -1.445 17.607 19.000 0.085 0.000 0.827 525 A HN 0.486 nan 8.150 nan 0.000 0.443 526 Y N 1.055 121.445 120.300 0.149 0.000 2.114 526 Y HA -0.301 4.249 4.550 0.001 0.000 0.282 526 Y C 2.149 178.007 175.900 -0.069 0.000 1.165 526 Y CA 2.393 60.500 58.100 0.011 0.000 1.148 526 Y CB -0.380 38.186 38.460 0.177 0.000 0.972 526 Y HN 0.466 nan 8.280 nan 0.000 0.504 527 D N -0.412 120.036 120.400 0.080 0.000 2.097 527 D HA -0.180 4.461 4.640 0.001 0.000 0.195 527 D C 2.154 178.385 176.300 -0.115 0.000 0.989 527 D CA 1.800 55.780 54.000 -0.033 0.000 0.827 527 D CB -0.191 40.655 40.800 0.077 0.000 0.966 527 D HN 0.372 nan 8.370 nan 0.000 0.456 528 R N -0.270 120.228 120.500 -0.002 0.000 2.090 528 R HA 0.028 4.369 4.340 0.001 0.000 0.228 528 R C 2.492 178.757 176.300 -0.059 0.000 1.110 528 R CA 0.396 56.529 56.100 0.056 0.000 0.973 528 R CB -0.295 30.154 30.300 0.248 0.000 0.869 528 R HN 0.286 nan 8.270 nan 0.000 0.440 529 L N 0.974 122.024 121.223 -0.288 0.000 2.027 529 L HA -0.171 4.169 4.340 0.001 0.000 0.206 529 L C 2.478 178.984 176.870 -0.607 0.000 1.074 529 L CA 2.024 56.402 54.840 -0.770 0.000 0.745 529 L CB -0.679 40.686 42.059 -1.157 0.000 0.898 529 L HN 0.391 nan 8.230 nan 0.000 0.433 530 T N -2.885 111.298 114.554 -0.619 0.000 2.720 530 T HA -0.248 4.103 4.350 0.001 0.000 0.268 530 T C 1.923 176.398 174.700 -0.376 0.000 1.037 530 T CA 1.031 62.807 62.100 -0.539 0.000 1.144 530 T CB -0.380 68.116 68.868 -0.620 0.000 0.864 530 T HN 0.342 nan 8.240 nan 0.000 0.444 531 R N -0.131 120.186 120.500 -0.305 0.000 2.090 531 R HA -0.012 4.328 4.340 0.001 0.000 0.228 531 R C 2.581 178.771 176.300 -0.183 0.000 1.110 531 R CA 1.436 57.399 56.100 -0.228 0.000 0.973 531 R CB -0.547 29.648 30.300 -0.174 0.000 0.869 531 R HN 0.558 nan 8.270 nan 0.000 0.440 532 H N 1.116 120.015 119.070 -0.285 0.000 2.389 532 H HA -0.031 4.525 4.556 0.001 0.000 0.299 532 H C 2.165 177.311 175.328 -0.303 0.000 1.081 532 H CA 1.446 57.330 56.048 -0.273 0.000 1.345 532 H CB 0.057 29.621 29.762 -0.329 0.000 1.393 532 H HN -0.081 nan 8.280 nan 0.000 0.520 533 R N 0.125 120.389 120.500 -0.393 0.000 2.066 533 R HA -0.090 4.250 4.340 0.001 0.000 0.232 533 R C 2.179 178.299 176.300 -0.300 0.000 1.131 533 R CA 1.493 57.364 56.100 -0.381 0.000 0.955 533 R CB -1.163 28.940 30.300 -0.328 0.000 0.851 533 R HN 0.469 nan 8.270 nan 0.000 0.432 534 c N 0.729 119.166 118.600 -0.272 0.000 2.413 534 c HA -0.044 4.527 4.570 0.001 0.000 0.276 534 c C 2.925 176.888 174.090 -0.212 0.000 1.248 534 c CA 1.037 57.227 56.329 -0.231 0.000 1.742 534 c CB -1.102 41.237 42.510 -0.285 0.000 2.017 534 c HN 0.541 nan 8.230 nan 0.000 0.481 535 R N 0.421 120.764 120.500 -0.261 0.000 2.105 535 R HA -0.125 4.215 4.340 0.001 0.000 0.239 535 R C 2.147 178.236 176.300 -0.352 0.000 1.135 535 R CA 1.626 57.560 56.100 -0.277 0.000 0.967 535 R CB -0.312 29.826 30.300 -0.270 0.000 0.861 535 R HN 0.496 nan 8.270 nan 0.000 0.442 536 M N -0.029 119.322 119.600 -0.416 0.000 2.175 536 M HA -0.138 4.342 4.480 0.001 0.000 0.264 536 M C 2.237 178.409 176.300 -0.214 0.000 1.063 536 M CA 1.252 56.323 55.300 -0.380 0.000 1.119 536 M CB 0.010 32.363 32.600 -0.412 0.000 1.377 536 M HN 0.040 nan 8.290 nan 0.000 0.415 537 V N 0.475 120.303 119.914 -0.144 0.000 2.295 537 V HA -0.272 3.849 4.120 0.001 0.000 0.246 537 V C 1.986 178.063 176.094 -0.028 0.000 1.049 537 V CA 1.985 64.257 62.300 -0.046 0.000 1.024 537 V CB -0.747 31.107 31.823 0.051 0.000 0.648 537 V HN 0.477 nan 8.190 nan 0.000 0.447 538 E N -0.202 119.996 120.200 -0.002 0.000 2.130 538 E HA -0.223 4.127 4.350 0.001 0.000 0.196 538 E C 2.124 178.693 176.600 -0.052 0.000 0.998 538 E CA 1.090 57.492 56.400 0.003 0.000 0.806 538 E CB -0.146 29.545 29.700 -0.015 0.000 0.738 538 E HN 0.512 nan 8.360 nan 0.000 0.459 539 R N -0.637 119.783 120.500 -0.133 0.000 2.335 539 R HA 0.080 4.420 4.340 0.001 0.000 0.223 539 R C 0.777 177.080 176.300 0.005 0.000 0.940 539 R CA 0.476 56.505 56.100 -0.118 0.000 1.086 539 R CB 0.476 30.505 30.300 -0.452 0.000 1.073 539 R HN 0.242 nan 8.270 nan 0.000 0.504 540 G N 1.081 109.873 108.800 -0.013 0.000 2.132 540 G HA2 -0.203 3.757 3.960 0.001 0.000 0.234 540 G HA3 -0.203 3.757 3.960 0.001 0.000 0.234 540 G C 0.006 174.905 174.900 -0.003 0.000 0.989 540 G CA -0.419 44.683 45.100 0.005 0.000 0.676 540 G HN 0.178 nan 8.290 nan 0.000 0.522 541 I N 1.277 121.829 120.570 -0.029 0.000 2.328 541 I HA 0.534 4.705 4.170 0.001 0.000 0.287 541 I C 1.131 177.227 176.117 -0.035 0.000 1.012 541 I CA -0.717 60.552 61.300 -0.051 0.000 1.195 541 I CB 0.811 38.729 38.000 -0.138 0.000 1.350 541 I HN 0.300 nan 8.210 nan 0.000 0.464 542 A N 5.928 128.749 122.820 0.002 0.000 3.004 542 A HA 0.396 4.716 4.320 0.001 0.000 0.254 542 A C 1.062 178.671 177.584 0.042 0.000 1.857 542 A CA -0.201 51.844 52.037 0.013 0.000 1.460 542 A CB -0.808 18.202 19.000 0.017 0.000 0.963 542 A HN 0.774 nan 8.150 nan 0.000 0.624 543 A N 1.531 124.367 122.820 0.027 0.000 2.450 543 A HA 0.445 4.765 4.320 0.001 0.000 0.255 543 A C 0.742 178.339 177.584 0.021 0.000 1.096 543 A CA -0.330 51.743 52.037 0.060 0.000 0.778 543 A CB 0.062 19.067 19.000 0.009 0.000 1.031 543 A HN 0.877 nan 8.150 nan 0.000 0.494 544 Q N 3.382 123.205 119.800 0.038 0.000 2.492 544 Q HA 0.421 4.762 4.340 0.001 0.000 0.238 544 Q C -2.388 173.605 176.000 -0.011 0.000 1.045 544 Q CA -1.534 54.281 55.803 0.019 0.000 0.934 544 Q CB 0.136 28.896 28.738 0.037 0.000 1.276 544 Q HN 0.503 nan 8.270 nan 0.000 0.521 545 P HA 0.031 nan 4.420 nan 0.000 0.274 545 P C 0.057 177.355 177.300 -0.003 0.000 1.231 545 P CA -0.206 62.879 63.100 -0.026 0.000 0.790 545 P CB 0.985 32.678 31.700 -0.011 0.000 0.951 546 L N 0.558 121.765 121.223 -0.027 0.000 2.162 546 L HA 0.069 4.409 4.340 0.001 0.000 0.205 546 L C 0.823 177.868 176.870 0.292 0.000 1.086 546 L CA 1.478 56.346 54.840 0.047 0.000 0.778 546 L CB -0.181 41.791 42.059 -0.145 0.000 0.928 546 L HN 0.468 nan 8.230 nan 0.000 0.446 547 Y N -1.841 118.513 120.300 0.090 0.000 2.895 547 Y HA 0.482 5.032 4.550 0.001 0.000 0.339 547 Y C -0.663 175.291 175.900 0.091 0.000 1.363 547 Y CA -1.239 56.934 58.100 0.122 0.000 1.085 547 Y CB 0.612 39.207 38.460 0.225 0.000 1.500 547 Y HN -0.158 nan 8.280 nan 0.000 0.442 548 A N 1.466 123.890 122.820 -0.661 0.000 2.555 548 A HA 0.495 4.815 4.320 0.001 0.000 0.233 548 A C 0.663 178.238 177.584 -0.015 0.000 1.060 548 A CA 1.509 53.339 52.037 -0.345 0.000 0.759 548 A CB -1.058 17.655 19.000 -0.478 0.000 0.995 548 A HN 1.994 nan 8.150 nan 0.000 0.506 549 G N -0.223 108.597 108.800 0.034 0.000 2.350 549 G HA2 0.537 4.498 3.960 0.001 0.000 0.276 549 G HA3 0.537 4.498 3.960 0.001 0.000 0.276 549 G C -0.875 174.140 174.900 0.193 0.000 1.313 549 G CA 0.109 45.286 45.100 0.128 0.000 0.903 549 G HN 2.244 nan 8.290 nan 0.000 0.490 550 Y N -2.674 117.597 120.300 -0.049 0.000 2.725 550 Y HA 0.764 5.315 4.550 0.001 0.000 0.333 550 Y C -0.602 175.227 175.900 -0.119 0.000 1.242 550 Y CA -1.468 56.594 58.100 -0.064 0.000 1.059 550 Y CB 0.863 39.293 38.460 -0.050 0.000 1.306 550 Y HN 0.895 nan 8.280 nan 0.000 0.454 551 c N 1.631 120.108 118.600 -0.205 0.000 2.507 551 c HA 0.408 4.978 4.570 0.001 0.000 0.319 551 c C -0.570 173.289 174.090 -0.387 0.000 1.208 551 c CA -0.931 55.112 56.329 -0.477 0.000 1.619 551 c CB 1.411 43.552 42.510 -0.614 0.000 2.230 551 c HN 0.773 nan 8.230 nan 0.000 0.492 552 N N 2.101 120.574 118.700 -0.379 0.000 2.819 552 N HA 0.054 4.794 4.740 0.001 0.000 0.284 552 N C 0.876 176.272 175.510 -0.191 0.000 1.196 552 N CA 0.141 53.093 53.050 -0.164 0.000 1.114 552 N CB 0.049 38.457 38.487 -0.132 0.000 1.437 552 N HN 0.657 nan 8.380 nan 0.000 0.518 553 H N 0.909 119.986 119.070 0.012 0.000 2.266 553 H HA 0.071 4.627 4.556 0.001 0.000 0.308 553 H C 1.177 176.502 175.328 -0.004 0.000 1.057 553 H CA 1.406 57.450 56.048 -0.007 0.000 1.330 553 H CB 0.494 30.255 29.762 -0.002 0.000 1.400 553 H HN 0.627 nan 8.280 nan 0.000 0.503 554 E N 0.000 120.289 120.200 0.148 0.000 2.725 554 E HA 0.000 4.350 4.350 0.001 0.000 0.291 554 E CA 0.000 nan 56.400 nan 0.000 0.976 554 E CB 0.000 nan 29.700 nan 0.000 0.812 554 E HN 0.000 nan 8.360 nan 0.000 0.440