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 2gjx_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 XXLDSFGPIN 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 QPLYAGYcN 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 0.000 177.265 177.300 -0.058 0.000 1.155 54 P CA 0.000 63.042 63.100 -0.096 0.000 0.800 54 P CB 0.000 31.598 31.700 -0.170 0.000 0.726 55 A N 1.687 124.479 122.820 -0.047 0.000 2.540 55 A HA 0.626 4.946 4.320 -0.000 0.000 0.340 55 A C -0.192 177.414 177.584 0.036 0.000 1.424 55 A CA -0.437 51.596 52.037 -0.006 0.000 0.940 55 A CB -0.050 18.933 19.000 -0.028 0.000 1.149 55 A HN 0.203 nan 8.150 nan 0.000 0.505 56 L N 2.723 123.972 121.223 0.043 0.000 2.292 56 L HA 0.467 4.807 4.340 -0.000 0.000 0.284 56 L C -0.421 176.480 176.870 0.053 0.000 1.065 56 L CA -0.358 54.502 54.840 0.034 0.000 0.806 56 L CB 1.076 43.147 42.059 0.019 0.000 1.175 56 L HN 0.739 nan 8.230 nan 0.000 0.431 57 W N 6.436 127.558 121.300 -0.296 0.000 3.326 57 W HA 0.350 5.010 4.660 -0.000 0.000 0.333 57 W C -2.901 173.361 176.519 -0.428 0.000 1.108 57 W CA -1.707 55.368 57.345 -0.451 0.000 1.245 57 W CB 2.390 31.306 29.460 -0.905 0.000 1.331 57 W HN 0.233 nan 8.180 nan 0.000 0.464 58 P HA 0.082 nan 4.420 nan 0.000 0.272 58 P C -0.436 176.620 177.300 -0.407 0.000 1.240 58 P CA -0.419 62.204 63.100 -0.794 0.000 0.791 58 P CB 0.864 32.191 31.700 -0.621 0.000 0.978 59 L N 3.576 124.602 121.223 -0.329 0.000 2.418 59 L HA 0.303 4.643 4.340 -0.000 0.000 0.274 59 L C -2.277 174.610 176.870 0.028 0.000 1.135 59 L CA -1.760 53.018 54.840 -0.102 0.000 0.870 59 L CB -0.446 41.572 42.059 -0.067 0.000 1.154 59 L HN 0.270 nan 8.230 nan 0.000 0.462 60 P HA -0.038 nan 4.420 nan 0.000 0.271 60 P C 0.464 177.822 177.300 0.096 0.000 1.244 60 P CA -0.341 62.855 63.100 0.161 0.000 0.793 60 P CB 0.516 32.284 31.700 0.113 0.000 0.984 61 L N 0.400 121.659 121.223 0.061 0.000 2.044 61 L HA 0.036 4.376 4.340 -0.000 0.000 0.205 61 L C 0.715 177.577 176.870 -0.014 0.000 1.075 61 L CA 2.005 56.838 54.840 -0.011 0.000 0.747 61 L CB -0.502 41.513 42.059 -0.073 0.000 0.903 61 L HN 0.305 nan 8.230 nan 0.000 0.435 62 S N -0.995 114.694 115.700 -0.018 0.000 2.594 62 S HA 0.665 5.135 4.470 -0.000 0.000 0.296 62 S C -1.284 173.318 174.600 0.004 0.000 1.124 62 S CA -0.647 57.546 58.200 -0.012 0.000 1.011 62 S CB 1.222 64.406 63.200 -0.026 0.000 1.016 62 S HN -0.078 nan 8.310 nan 0.000 0.485 63 V N 6.257 126.180 119.914 0.014 0.000 2.447 63 V HA 0.528 4.648 4.120 -0.000 0.000 0.292 63 V C -0.884 175.223 176.094 0.023 0.000 1.021 63 V CA -0.837 61.478 62.300 0.025 0.000 0.850 63 V CB 1.883 33.725 31.823 0.031 0.000 1.005 63 V HN 0.725 nan 8.190 nan 0.000 0.426 64 K N 5.710 126.125 120.400 0.025 0.000 2.404 64 K HA 0.583 4.903 4.320 -0.000 0.000 0.257 64 K C -0.772 175.845 176.600 0.027 0.000 1.026 64 K CA -0.437 55.864 56.287 0.023 0.000 0.951 64 K CB 1.562 34.074 32.500 0.021 0.000 1.203 64 K HN 0.468 nan 8.250 nan 0.000 0.446 65 M N 1.853 121.468 119.600 0.025 0.000 2.363 65 M HA 0.270 4.750 4.480 -0.000 0.000 0.343 65 M C 0.552 176.866 176.300 0.023 0.000 1.165 65 M CA -0.441 54.875 55.300 0.026 0.000 1.046 65 M CB 1.577 34.192 32.600 0.025 0.000 1.648 65 M HN 0.535 nan 8.290 nan 0.000 0.452 66 T N -0.719 113.849 114.554 0.024 0.000 2.908 66 T HA 0.640 4.989 4.350 -0.000 0.000 0.290 66 T C -2.421 172.292 174.700 0.022 0.000 1.034 66 T CA -1.623 60.489 62.100 0.021 0.000 1.010 66 T CB 1.928 70.807 68.868 0.019 0.000 1.068 66 T HN 0.353 nan 8.240 nan 0.000 0.481 67 P HA 0.127 nan 4.420 nan 0.000 0.245 67 P C -0.219 177.092 177.300 0.019 0.000 1.212 67 P CA -0.053 63.061 63.100 0.024 0.000 0.774 67 P CB -0.338 31.375 31.700 0.022 0.000 0.999 68 N N 0.522 119.228 118.700 0.011 0.000 2.452 68 N HA 0.153 4.893 4.740 -0.000 0.000 0.266 68 N C -0.362 175.131 175.510 -0.029 0.000 1.175 68 N CA -0.217 52.831 53.050 -0.003 0.000 0.945 68 N CB 0.307 38.795 38.487 0.000 0.000 1.063 68 N HN 0.035 nan 8.380 nan 0.000 0.472 69 L N 3.406 124.592 121.223 -0.061 0.000 2.307 69 L HA 0.484 4.823 4.340 -0.000 0.000 0.282 69 L C -0.313 176.382 176.870 -0.292 0.000 1.051 69 L CA -0.655 54.090 54.840 -0.159 0.000 0.804 69 L CB 0.864 42.832 42.059 -0.152 0.000 1.197 69 L HN 0.334 nan 8.230 nan 0.000 0.431 70 L N 2.628 123.639 121.223 -0.354 0.000 2.354 70 L HA 0.565 4.905 4.340 -0.000 0.000 0.269 70 L C -0.547 176.041 176.870 -0.471 0.000 1.005 70 L CA -0.826 53.814 54.840 -0.335 0.000 0.819 70 L CB 1.910 43.898 42.059 -0.119 0.000 1.311 70 L HN 0.515 nan 8.230 nan 0.000 0.423 71 H N 2.311 121.379 119.070 -0.002 0.000 2.573 71 H HA 0.664 5.220 4.556 -0.000 0.000 0.351 71 H C -1.034 174.319 175.328 0.041 0.000 1.163 71 H CA -0.667 55.384 56.048 0.004 0.000 1.205 71 H CB 2.419 32.193 29.762 0.020 0.000 1.605 71 H HN 0.205 nan 8.280 nan 0.000 0.525 72 L N 0.731 122.070 121.223 0.194 0.000 2.341 72 L HA 0.606 4.946 4.340 -0.000 0.000 0.267 72 L C -0.014 176.969 176.870 0.188 0.000 1.009 72 L CA -0.780 54.149 54.840 0.148 0.000 0.819 72 L CB 1.842 43.889 42.059 -0.021 0.000 1.323 72 L HN 0.719 nan 8.230 nan 0.000 0.425 73 A N 2.102 124.987 122.820 0.107 0.000 2.285 73 A HA 0.714 5.034 4.320 -0.000 0.000 0.310 73 A C -1.956 175.439 177.584 -0.315 0.000 1.266 73 A CA -1.333 50.691 52.037 -0.022 0.000 0.832 73 A CB 0.716 19.726 19.000 0.016 0.000 1.163 73 A HN 0.567 nan 8.150 nan 0.000 0.499 74 P HA -0.211 nan 4.420 nan 0.000 0.216 74 P C 0.465 177.397 177.300 -0.614 0.000 1.154 74 P CA 1.524 63.797 63.100 -1.378 0.000 0.865 74 P CB 0.336 31.498 31.700 -0.897 0.000 0.789 75 E N -1.461 118.539 120.200 -0.332 0.000 2.499 75 E HA 0.117 4.467 4.350 -0.000 0.000 0.207 75 E C 0.372 176.844 176.600 -0.215 0.000 1.034 75 E CA -0.086 56.180 56.400 -0.225 0.000 1.098 75 E CB -0.227 29.386 29.700 -0.145 0.000 1.148 75 E HN 0.064 nan 8.360 nan 0.000 0.447 76 N N 0.275 118.831 118.700 -0.239 0.000 2.228 76 N HA 0.022 4.762 4.740 -0.000 0.000 0.237 76 N C -1.588 173.807 175.510 -0.192 0.000 1.382 76 N CA -0.241 52.684 53.050 -0.208 0.000 0.787 76 N CB 0.333 38.809 38.487 -0.017 0.000 1.320 76 N HN 0.058 nan 8.380 nan 0.000 0.507 77 F N 1.871 121.570 119.950 -0.419 0.000 2.403 77 F HA 0.501 5.027 4.527 -0.000 0.000 0.355 77 F C -1.372 174.289 175.800 -0.232 0.000 1.119 77 F CA -0.597 57.302 58.000 -0.169 0.000 1.007 77 F CB 0.441 39.484 39.000 0.071 0.000 1.194 77 F HN -0.108 nan 8.300 nan 0.000 0.443 78 Y N 5.777 125.811 120.300 -0.444 0.000 2.446 78 Y HA 0.608 5.157 4.550 -0.000 0.000 0.338 78 Y C -0.117 175.406 175.900 -0.628 0.000 1.055 78 Y CA -1.152 56.723 58.100 -0.375 0.000 1.101 78 Y CB 1.594 39.898 38.460 -0.259 0.000 1.221 78 Y HN 0.306 nan 8.280 nan 0.000 0.460 79 I N 3.199 123.578 120.570 -0.318 0.000 2.460 79 I HA 0.299 4.469 4.170 -0.000 0.000 0.277 79 I C -0.570 175.067 176.117 -0.800 0.000 1.057 79 I CA -0.293 60.653 61.300 -0.589 0.000 1.179 79 I CB 0.423 38.109 38.000 -0.523 0.000 1.329 79 I HN 0.630 nan 8.210 nan 0.000 0.478 80 S N 2.930 118.247 115.700 -0.639 0.000 2.726 80 S HA 0.603 5.073 4.470 -0.000 0.000 0.308 80 S C -0.474 173.799 174.600 -0.545 0.000 1.115 80 S CA -0.906 56.968 58.200 -0.543 0.000 0.965 80 S CB 1.178 64.227 63.200 -0.251 0.000 1.145 80 S HN 0.492 nan 8.310 nan 0.000 0.532 81 H N 1.134 120.104 119.070 -0.166 0.000 2.582 81 H HA 0.487 5.043 4.556 -0.000 0.000 0.345 81 H C 0.646 175.920 175.328 -0.090 0.000 1.104 81 H CA 0.151 56.148 56.048 -0.085 0.000 1.390 81 H CB 0.648 30.412 29.762 0.003 0.000 1.461 81 H HN 0.773 nan 8.280 nan 0.000 0.551 82 S N 2.933 118.656 115.700 0.038 0.000 2.576 82 S HA 0.068 4.538 4.470 -0.000 0.000 0.276 82 S C -1.539 173.069 174.600 0.014 0.000 1.339 82 S CA -1.167 57.032 58.200 -0.002 0.000 1.039 82 S CB 1.244 64.437 63.200 -0.011 0.000 0.902 82 S HN 0.460 nan 8.310 nan 0.000 0.516 83 P HA -0.200 nan 4.420 nan 0.000 0.219 83 P C 0.554 177.850 177.300 -0.007 0.000 1.161 83 P CA 1.743 64.837 63.100 -0.010 0.000 0.909 83 P CB -0.263 31.427 31.700 -0.016 0.000 0.793 84 N N -1.631 117.067 118.700 -0.004 0.000 2.558 84 N HA 0.095 4.835 4.740 -0.000 0.000 0.281 84 N C -0.296 175.214 175.510 0.001 0.000 1.219 84 N CA -0.177 52.871 53.050 -0.004 0.000 0.942 84 N CB -0.391 38.094 38.487 -0.004 0.000 1.241 84 N HN -0.080 nan 8.380 nan 0.000 0.511 85 S N -0.374 115.330 115.700 0.006 0.000 2.632 85 S HA 0.267 4.737 4.470 -0.000 0.000 0.271 85 S C 1.348 175.941 174.600 -0.010 0.000 1.260 85 S CA -0.222 57.987 58.200 0.014 0.000 1.010 85 S CB 0.700 63.933 63.200 0.055 0.000 0.965 85 S HN 0.477 nan 8.310 nan 0.000 0.534 86 T N 0.761 115.308 114.554 -0.012 0.000 3.088 86 T HA 0.408 4.757 4.350 -0.000 0.000 0.259 86 T C 0.454 175.119 174.700 -0.058 0.000 1.122 86 T CA 0.334 62.416 62.100 -0.030 0.000 1.095 86 T CB -0.134 68.720 68.868 -0.023 0.000 0.930 86 T HN 0.704 nan 8.240 nan 0.000 0.508 87 A N -0.029 122.751 122.820 -0.066 0.000 2.355 87 A HA 0.873 5.193 4.320 -0.000 0.000 0.324 87 A C 0.330 177.726 177.584 -0.314 0.000 1.117 87 A CA -0.422 51.536 52.037 -0.133 0.000 0.785 87 A CB 1.541 20.493 19.000 -0.079 0.000 1.254 87 A HN 0.532 nan 8.150 nan 0.000 0.453 88 G N -0.347 108.192 108.800 -0.434 0.000 3.222 88 G HA2 0.597 4.557 3.960 -0.000 0.000 0.263 88 G HA3 0.597 4.557 3.960 -0.000 0.000 0.263 88 G C -2.385 172.127 174.900 -0.647 0.000 1.312 88 G CA -1.118 43.593 45.100 -0.649 0.000 0.934 88 G HN 0.324 nan 8.290 nan 0.000 0.577 89 P HA -0.049 nan 4.420 nan 0.000 0.223 89 P C 1.752 179.030 177.300 -0.036 0.000 1.144 89 P CA 1.761 64.846 63.100 -0.025 0.000 0.783 89 P CB 0.185 31.892 31.700 0.011 0.000 0.771 90 S N -2.883 112.762 115.700 -0.092 0.000 2.593 90 S HA -0.005 4.465 4.470 -0.000 0.000 0.217 90 S C 0.861 175.414 174.600 -0.077 0.000 0.966 90 S CA -0.351 57.808 58.200 -0.069 0.000 0.914 90 S CB -1.311 61.848 63.200 -0.069 0.000 0.776 90 S HN 0.148 nan 8.310 nan 0.000 0.523 91 c N 3.481 122.024 118.600 -0.094 0.000 2.252 91 c HA 0.434 5.004 4.570 -0.000 0.000 0.342 91 c C 1.917 175.951 174.090 -0.094 0.000 1.110 91 c CA -0.263 56.006 56.329 -0.099 0.000 1.581 91 c CB -1.628 40.820 42.510 -0.103 0.000 2.087 91 c HN 0.623 nan 8.230 nan 0.000 0.500 92 T N 4.258 118.754 114.554 -0.096 0.000 2.684 92 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 92 T C 1.804 176.420 174.700 -0.140 0.000 1.036 92 T CA 1.931 63.974 62.100 -0.096 0.000 1.148 92 T CB -0.233 68.589 68.868 -0.077 0.000 0.863 92 T HN 0.807 nan 8.240 nan 0.000 0.436 93 L N 0.312 121.438 121.223 -0.162 0.000 2.043 93 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 93 L C 2.263 178.972 176.870 -0.270 0.000 1.075 93 L CA 1.512 56.239 54.840 -0.189 0.000 0.752 93 L CB -0.258 41.677 42.059 -0.206 0.000 0.891 93 L HN 0.286 nan 8.230 nan 0.000 0.432 94 L N -0.879 120.136 121.223 -0.347 0.000 2.072 94 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 94 L C 2.669 178.867 176.870 -1.121 0.000 1.079 94 L CA 0.699 55.113 54.840 -0.709 0.000 0.752 94 L CB -0.543 41.227 42.059 -0.481 0.000 0.906 94 L HN 0.248 nan 8.230 nan 0.000 0.436 95 E N 0.081 119.972 120.200 -0.515 0.000 2.153 95 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 95 E C 2.058 178.549 176.600 -0.182 0.000 0.988 95 E CA 0.912 57.161 56.400 -0.253 0.000 0.811 95 E CB -0.012 29.669 29.700 -0.031 0.000 0.746 95 E HN 0.421 nan 8.360 nan 0.000 0.466 96 E N 0.334 120.421 120.200 -0.189 0.000 2.107 96 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 96 E C 1.945 178.496 176.600 -0.082 0.000 0.982 96 E CA 0.812 57.148 56.400 -0.108 0.000 0.809 96 E CB -0.090 29.549 29.700 -0.103 0.000 0.756 96 E HN 0.181 nan 8.360 nan 0.000 0.459 97 A N 0.625 123.350 122.820 -0.158 0.000 1.969 97 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 97 A C 1.864 179.589 177.584 0.234 0.000 1.169 97 A CA 0.848 52.902 52.037 0.029 0.000 0.635 97 A CB -0.580 18.395 19.000 -0.042 0.000 0.810 97 A HN 0.105 nan 8.150 nan 0.000 0.445 98 F N -0.157 119.860 119.950 0.112 0.000 2.146 98 F HA -0.012 4.515 4.527 -0.000 0.000 0.298 98 F C 2.365 178.256 175.800 0.151 0.000 1.096 98 F CA 1.115 59.179 58.000 0.107 0.000 1.275 98 F CB -0.843 38.158 39.000 0.002 0.000 1.008 98 F HN 0.231 nan 8.300 nan 0.000 0.480 99 R N 0.485 121.135 120.500 0.250 0.000 2.073 99 R HA -0.092 4.248 4.340 -0.000 0.000 0.229 99 R C 2.469 178.834 176.300 0.109 0.000 1.120 99 R CA 1.018 57.205 56.100 0.145 0.000 0.967 99 R CB -0.167 30.167 30.300 0.056 0.000 0.862 99 R HN 0.143 nan 8.270 nan 0.000 0.436 100 R N -0.738 119.797 120.500 0.058 0.000 2.081 100 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 100 R C 1.390 177.597 176.300 -0.154 0.000 1.131 100 R CA 1.717 57.756 56.100 -0.102 0.000 0.960 100 R CB -0.223 30.014 30.300 -0.105 0.000 0.856 100 R HN 0.292 nan 8.270 nan 0.000 0.436 101 Y N -1.240 119.177 120.300 0.195 0.000 2.546 101 Y HA -0.051 4.499 4.550 -0.000 0.000 0.287 101 Y C 1.843 177.887 175.900 0.239 0.000 1.158 101 Y CA 1.066 59.347 58.100 0.302 0.000 1.307 101 Y CB -0.048 38.601 38.460 0.316 0.000 1.036 101 Y HN 0.296 nan 8.280 nan 0.000 0.532 102 H N -1.077 118.150 119.070 0.261 0.000 2.462 102 H HA 0.009 4.565 4.556 -0.000 0.000 0.292 102 H C 2.339 177.788 175.328 0.201 0.000 1.049 102 H CA 1.241 57.455 56.048 0.277 0.000 1.334 102 H CB -0.053 29.849 29.762 0.234 0.000 1.404 102 H HN 0.312 nan 8.280 nan 0.000 0.544 103 G N -0.967 107.905 108.800 0.120 0.000 2.411 103 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.213 103 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.213 103 G C 0.848 175.712 174.900 -0.061 0.000 1.166 103 G CA 0.312 45.395 45.100 -0.028 0.000 0.802 103 G HN 0.381 nan 8.290 nan 0.000 0.533 104 Y N 0.559 120.880 120.300 0.035 0.000 2.497 104 Y HA 0.184 4.734 4.550 -0.000 0.000 0.292 104 Y C 2.457 178.320 175.900 -0.061 0.000 1.137 104 Y CA 0.013 58.103 58.100 -0.016 0.000 1.285 104 Y CB -0.152 38.307 38.460 -0.001 0.000 0.991 104 Y HN 0.170 nan 8.280 nan 0.000 0.556 105 I N -2.223 118.339 120.570 -0.012 0.000 2.585 105 I HA -0.172 3.997 4.170 -0.000 0.000 0.254 105 I C 0.960 176.697 176.117 -0.634 0.000 1.129 105 I CA 1.102 62.169 61.300 -0.389 0.000 1.455 105 I CB -0.087 37.508 38.000 -0.675 0.000 1.111 105 I HN 0.037 nan 8.210 nan 0.000 0.433 106 F N 0.588 120.414 119.950 -0.207 0.000 2.682 106 F HA 0.433 4.960 4.527 -0.000 0.000 0.308 106 F C 1.321 177.151 175.800 0.050 0.000 1.093 106 F CA 0.164 58.007 58.000 -0.262 0.000 1.244 106 F CB -0.081 38.568 39.000 -0.585 0.000 1.052 106 F HN 0.056 nan 8.300 nan 0.000 0.573 123 Q N 1.240 121.095 119.800 0.091 0.000 2.271 123 Q HA 0.614 4.954 4.340 -0.000 0.000 0.268 123 Q C -1.627 174.452 176.000 0.130 0.000 1.021 123 Q CA -0.747 55.129 55.803 0.121 0.000 0.802 123 Q CB 2.554 31.372 28.738 0.132 0.000 1.282 123 Q HN 0.290 nan 8.270 nan 0.000 0.431 124 V N 5.014 125.025 119.914 0.161 0.000 2.408 124 V HA 0.106 4.226 4.120 -0.000 0.000 0.267 124 V C 0.412 176.713 176.094 0.345 0.000 1.047 124 V CA 0.214 62.657 62.300 0.239 0.000 0.937 124 V CB 1.140 33.136 31.823 0.288 0.000 0.999 124 V HN 0.883 nan 8.190 nan 0.000 0.472 125 Q N 3.161 123.119 119.800 0.263 0.000 2.317 125 Q HA 0.283 4.622 4.340 -0.000 0.000 0.220 125 Q C 0.408 176.464 176.000 0.093 0.000 0.873 125 Q CA 0.085 56.031 55.803 0.238 0.000 0.936 125 Q CB 1.314 30.146 28.738 0.156 0.000 1.105 125 Q HN 0.801 nan 8.270 nan 0.000 0.520 126 Q N 0.711 120.501 119.800 -0.017 0.000 2.426 126 Q HA 0.434 4.774 4.340 -0.000 0.000 0.278 126 Q C -2.202 173.623 176.000 -0.292 0.000 1.007 126 Q CA -0.661 54.972 55.803 -0.284 0.000 0.850 126 Q CB 2.023 30.680 28.738 -0.135 0.000 1.427 126 Q HN 0.120 nan 8.270 nan 0.000 0.391 127 L N 4.538 125.457 121.223 -0.507 0.000 2.366 127 L HA 0.474 4.814 4.340 -0.000 0.000 0.266 127 L C -1.773 174.864 176.870 -0.388 0.000 1.010 127 L CA -0.157 54.447 54.840 -0.393 0.000 0.879 127 L CB 1.160 42.923 42.059 -0.493 0.000 1.228 127 L HN 0.657 nan 8.230 nan 0.000 0.439 128 L N 5.298 126.364 121.223 -0.261 0.000 2.361 128 L HA 0.362 4.702 4.340 -0.000 0.000 0.278 128 L C -0.319 176.428 176.870 -0.206 0.000 1.113 128 L CA -0.540 54.162 54.840 -0.230 0.000 0.849 128 L CB 1.264 43.242 42.059 -0.134 0.000 1.155 128 L HN 0.288 nan 8.230 nan 0.000 0.452 129 V N 3.089 122.861 119.914 -0.237 0.000 2.364 129 V HA 0.177 4.297 4.120 -0.000 0.000 0.272 129 V C 0.325 176.413 176.094 -0.009 0.000 1.036 129 V CA -0.172 62.054 62.300 -0.122 0.000 0.880 129 V CB 1.306 33.069 31.823 -0.100 0.000 0.991 129 V HN 0.770 nan 8.190 nan 0.000 0.460 130 S N 6.445 122.150 115.700 0.008 0.000 2.474 130 S HA 0.625 5.095 4.470 -0.000 0.000 0.321 130 S C -0.589 174.036 174.600 0.041 0.000 1.080 130 S CA -0.680 57.538 58.200 0.030 0.000 1.106 130 S CB 0.313 63.522 63.200 0.015 0.000 0.984 130 S HN 0.470 nan 8.310 nan 0.000 0.464 131 I N 5.248 125.845 120.570 0.044 0.000 2.336 131 I HA 0.257 4.427 4.170 -0.000 0.000 0.292 131 I C 1.376 177.504 176.117 0.019 0.000 0.991 131 I CA -0.213 61.103 61.300 0.028 0.000 1.227 131 I CB 0.897 38.904 38.000 0.011 0.000 1.366 131 I HN 0.614 nan 8.210 nan 0.000 0.466 132 T N 5.772 120.339 114.554 0.022 0.000 2.852 132 T HA 0.221 4.571 4.350 -0.000 0.000 0.256 132 T C 1.081 175.789 174.700 0.014 0.000 1.038 132 T CA 0.806 62.918 62.100 0.020 0.000 1.141 132 T CB 0.194 69.078 68.868 0.027 0.000 0.869 132 T HN 0.318 nan 8.240 nan 0.000 0.439 133 L N 0.415 121.648 121.223 0.016 0.000 2.421 133 L HA 0.423 4.763 4.340 -0.000 0.000 0.267 133 L C 0.162 177.034 176.870 0.003 0.000 1.036 133 L CA -1.199 53.651 54.840 0.015 0.000 0.829 133 L CB 0.528 42.605 42.059 0.030 0.000 1.437 133 L HN -0.053 nan 8.230 nan 0.000 0.488 134 Q N 0.601 120.405 119.800 0.007 0.000 2.244 134 Q HA -0.010 4.330 4.340 -0.000 0.000 0.276 134 Q C 0.780 176.769 176.000 -0.018 0.000 1.122 134 Q CA 0.019 55.820 55.803 -0.004 0.000 0.920 134 Q CB 0.458 29.203 28.738 0.012 0.000 1.186 134 Q HN 0.650 nan 8.270 nan 0.000 0.393 135 S N 2.246 117.907 115.700 -0.065 0.000 2.603 135 S HA -0.097 4.373 4.470 -0.000 0.000 0.229 135 S C 0.448 174.919 174.600 -0.215 0.000 0.972 135 S CA 0.172 58.282 58.200 -0.150 0.000 0.935 135 S CB -0.100 62.995 63.200 -0.175 0.000 0.769 135 S HN 0.797 nan 8.310 nan 0.000 0.536 136 E N -0.481 119.669 120.200 -0.083 0.000 2.038 136 E HA -0.325 4.024 4.350 -0.000 0.000 0.181 136 E C 0.694 177.197 176.600 -0.161 0.000 1.383 136 E CA 0.728 57.109 56.400 -0.031 0.000 0.677 136 E CB -2.535 27.252 29.700 0.145 0.000 1.051 136 E HN 0.639 nan 8.360 nan 0.000 0.317 137 c N 0.697 119.175 118.600 -0.203 0.000 2.419 137 c HA -0.133 4.437 4.570 -0.000 0.000 0.281 137 c C 1.236 175.213 174.090 -0.189 0.000 1.336 137 c CA 1.308 57.481 56.329 -0.259 0.000 1.770 137 c CB -0.493 41.902 42.510 -0.193 0.000 1.929 137 c HN 0.568 nan 8.230 nan 0.000 0.509 138 D N 0.355 120.691 120.400 -0.108 0.000 2.402 138 D HA 0.362 5.002 4.640 -0.000 0.000 0.216 138 D C 0.520 176.782 176.300 -0.063 0.000 1.128 138 D CA 0.554 54.500 54.000 -0.089 0.000 0.833 138 D CB 0.394 41.162 40.800 -0.054 0.000 0.971 138 D HN 0.619 nan 8.370 nan 0.000 0.503 139 A N -0.134 122.696 122.820 0.016 0.000 2.282 139 A HA 0.692 5.012 4.320 -0.000 0.000 0.324 139 A C -0.606 177.072 177.584 0.157 0.000 1.119 139 A CA -0.535 51.585 52.037 0.139 0.000 0.880 139 A CB 0.840 19.989 19.000 0.248 0.000 1.294 139 A HN -0.025 nan 8.150 nan 0.000 0.493 140 F N 0.748 120.841 119.950 0.238 0.000 2.397 140 F HA 0.462 4.989 4.527 -0.000 0.000 0.331 140 F C -1.665 174.121 175.800 -0.023 0.000 1.090 140 F CA -1.861 56.229 58.000 0.150 0.000 1.065 140 F CB 1.246 40.296 39.000 0.084 0.000 1.184 140 F HN 0.307 nan 8.300 nan 0.000 0.499 141 P HA 0.151 nan 4.420 nan 0.000 0.275 141 P C -1.297 175.866 177.300 -0.229 0.000 1.227 141 P CA -0.326 62.354 63.100 -0.700 0.000 0.781 141 P CB 0.936 32.013 31.700 -1.040 0.000 0.906 142 N N 2.024 120.616 118.700 -0.180 0.000 2.890 142 N HA 0.170 4.910 4.740 -0.000 0.000 0.317 142 N C 0.780 176.292 175.510 0.004 0.000 1.355 142 N CA -0.953 52.090 53.050 -0.011 0.000 0.803 142 N CB -0.182 38.338 38.487 0.055 0.000 1.465 142 N HN 0.150 nan 8.380 nan 0.000 0.591 143 I N 0.204 120.842 120.570 0.113 0.000 2.194 143 I HA -0.199 3.971 4.170 -0.000 0.000 0.246 143 I C 1.156 177.312 176.117 0.066 0.000 1.093 143 I CA 1.855 63.220 61.300 0.108 0.000 1.355 143 I CB -0.513 37.590 38.000 0.172 0.000 1.046 143 I HN 0.673 nan 8.210 nan 0.000 0.413 144 S N -0.692 115.048 115.700 0.068 0.000 2.618 144 S HA 0.304 4.774 4.470 -0.000 0.000 0.242 144 S C 0.583 175.213 174.600 0.050 0.000 0.972 144 S CA -0.554 57.682 58.200 0.059 0.000 1.004 144 S CB -0.830 62.413 63.200 0.071 0.000 0.778 144 S HN 0.258 nan 8.310 nan 0.000 0.459 145 S N 3.113 118.815 115.700 0.004 0.000 2.531 145 S HA 0.150 4.620 4.470 -0.000 0.000 0.279 145 S C -0.110 174.546 174.600 0.094 0.000 1.305 145 S CA -0.333 57.865 58.200 -0.002 0.000 1.058 145 S CB 0.499 63.502 63.200 -0.330 0.000 0.899 145 S HN 0.533 nan 8.310 nan 0.000 0.493 146 D N 2.202 122.727 120.400 0.208 0.000 2.338 146 D HA 0.078 4.718 4.640 -0.000 0.000 0.255 146 D C 0.397 176.859 176.300 0.271 0.000 1.237 146 D CA -0.021 54.093 54.000 0.191 0.000 0.883 146 D CB 0.470 41.371 40.800 0.169 0.000 1.087 146 D HN 0.570 nan 8.370 nan 0.000 0.485 147 E N 1.222 121.550 120.200 0.213 0.000 2.501 147 E HA 0.046 4.396 4.350 -0.000 0.000 0.201 147 E C 0.409 177.214 176.600 0.343 0.000 1.016 147 E CA -0.242 56.346 56.400 0.312 0.000 0.920 147 E CB 0.423 30.315 29.700 0.320 0.000 1.023 147 E HN 0.464 nan 8.360 nan 0.000 0.474 148 S N 0.740 116.564 115.700 0.206 0.000 2.585 148 S HA 0.276 4.746 4.470 -0.000 0.000 0.273 148 S C -0.286 174.480 174.600 0.277 0.000 1.339 148 S CA -0.528 57.764 58.200 0.153 0.000 1.028 148 S CB 0.307 63.522 63.200 0.025 0.000 0.906 148 S HN 0.279 nan 8.310 nan 0.000 0.528 149 Y N -1.964 118.398 120.300 0.104 0.000 2.713 149 Y HA 0.713 5.263 4.550 -0.000 0.000 0.335 149 Y C -0.985 174.961 175.900 0.077 0.000 1.222 149 Y CA -0.829 57.325 58.100 0.091 0.000 1.061 149 Y CB 0.851 39.375 38.460 0.108 0.000 1.314 149 Y HN 0.885 nan 8.280 nan 0.000 0.453 150 T N 0.900 115.566 114.554 0.187 0.000 2.881 150 T HA 0.645 4.995 4.350 -0.000 0.000 0.290 150 T C -1.918 172.915 174.700 0.220 0.000 1.000 150 T CA -0.580 61.578 62.100 0.096 0.000 0.978 150 T CB 1.737 70.632 68.868 0.045 0.000 0.997 150 T HN 0.920 nan 8.240 nan 0.000 0.443 151 L N 3.664 125.015 121.223 0.213 0.000 2.319 151 L HA 0.644 4.984 4.340 -0.000 0.000 0.281 151 L C -1.342 175.619 176.870 0.151 0.000 1.005 151 L CA -1.029 53.943 54.840 0.221 0.000 0.828 151 L CB 1.130 43.379 42.059 0.317 0.000 1.227 151 L HN 0.774 nan 8.230 nan 0.000 0.415 152 L N 6.401 127.697 121.223 0.122 0.000 2.295 152 L HA 0.527 4.867 4.340 -0.000 0.000 0.281 152 L C -0.779 176.164 176.870 0.121 0.000 1.018 152 L CA -0.729 54.170 54.840 0.098 0.000 0.841 152 L CB 1.585 43.684 42.059 0.066 0.000 1.218 152 L HN 0.285 nan 8.230 nan 0.000 0.424 153 V N 4.195 124.188 119.914 0.132 0.000 2.328 153 V HA 0.551 4.671 4.120 -0.000 0.000 0.278 153 V C -0.286 175.868 176.094 0.100 0.000 1.021 153 V CA -0.453 61.940 62.300 0.156 0.000 0.838 153 V CB 1.000 32.922 31.823 0.163 0.000 0.999 153 V HN 0.841 nan 8.190 nan 0.000 0.447 154 K N 2.937 123.396 120.400 0.099 0.000 2.685 154 K HA 0.584 4.904 4.320 -0.000 0.000 0.290 154 K C -0.945 175.700 176.600 0.074 0.000 1.018 154 K CA -1.109 55.219 56.287 0.068 0.000 0.860 154 K CB 1.081 33.611 32.500 0.051 0.000 1.498 154 K HN 0.514 nan 8.250 nan 0.000 0.390 155 E N 0.770 121.006 120.200 0.060 0.000 2.349 155 E HA 0.368 4.718 4.350 -0.000 0.000 0.265 155 E C -1.848 174.783 176.600 0.052 0.000 1.064 155 E CA -1.451 54.989 56.400 0.065 0.000 0.886 155 E CB 0.663 30.398 29.700 0.059 0.000 1.036 155 E HN 0.476 nan 8.360 nan 0.000 0.413 156 P HA 0.149 nan 4.420 nan 0.000 0.267 156 P C -0.736 176.604 177.300 0.068 0.000 1.289 156 P CA -0.078 63.061 63.100 0.064 0.000 0.866 156 P CB 0.533 32.263 31.700 0.050 0.000 1.309 157 V N 0.623 120.568 119.914 0.051 0.000 2.462 157 V HA 0.572 4.692 4.120 -0.000 0.000 0.288 157 V C 0.143 176.260 176.094 0.037 0.000 1.020 157 V CA -1.299 61.019 62.300 0.030 0.000 0.857 157 V CB 1.266 33.085 31.823 -0.007 0.000 1.013 157 V HN 0.092 nan 8.190 nan 0.000 0.431 158 A N 4.703 127.562 122.820 0.065 0.000 2.425 158 A HA 0.720 5.040 4.320 -0.000 0.000 0.249 158 A C -0.293 177.283 177.584 -0.013 0.000 1.084 158 A CA -0.175 51.907 52.037 0.075 0.000 0.781 158 A CB 0.760 19.871 19.000 0.186 0.000 1.019 158 A HN 0.742 nan 8.150 nan 0.000 0.490 159 V N 3.269 123.186 119.914 0.004 0.000 2.444 159 V HA 0.375 4.495 4.120 -0.000 0.000 0.294 159 V C -0.723 175.366 176.094 -0.008 0.000 1.022 159 V CA -0.465 61.821 62.300 -0.023 0.000 0.850 159 V CB 1.328 33.151 31.823 -0.001 0.000 0.992 159 V HN 0.789 nan 8.190 nan 0.000 0.426 160 L N 5.619 126.813 121.223 -0.049 0.000 2.280 160 L HA 0.598 4.938 4.340 -0.000 0.000 0.287 160 L C -0.317 176.568 176.870 0.026 0.000 1.023 160 L CA 0.002 54.838 54.840 -0.006 0.000 0.819 160 L CB 1.016 43.024 42.059 -0.085 0.000 1.212 160 L HN 0.667 nan 8.230 nan 0.000 0.420 161 K N 4.471 124.919 120.400 0.081 0.000 2.323 161 K HA 0.895 5.215 4.320 -0.000 0.000 0.259 161 K C -1.536 175.136 176.600 0.120 0.000 0.947 161 K CA -0.452 55.881 56.287 0.077 0.000 0.819 161 K CB 1.482 34.018 32.500 0.060 0.000 1.109 161 K HN 0.772 nan 8.250 nan 0.000 0.429 162 A N 3.308 126.187 122.820 0.099 0.000 2.572 162 A HA 0.332 4.652 4.320 -0.000 0.000 0.295 162 A C -0.387 177.245 177.584 0.080 0.000 1.072 162 A CA -0.843 51.268 52.037 0.122 0.000 0.691 162 A CB 1.377 20.467 19.000 0.150 0.000 1.291 162 A HN 0.815 nan 8.150 nan 0.000 0.404 163 N N 0.463 119.215 118.700 0.087 0.000 2.080 163 N HA -0.033 4.707 4.740 -0.000 0.000 0.189 163 N C 0.647 176.186 175.510 0.049 0.000 1.036 163 N CA 1.237 54.327 53.050 0.066 0.000 0.846 163 N CB -0.155 38.377 38.487 0.075 0.000 1.015 163 N HN 0.594 nan 8.380 nan 0.000 0.423 164 R N -0.312 120.227 120.500 0.064 0.000 2.843 164 R HA 0.269 4.609 4.340 -0.000 0.000 0.232 164 R C 1.137 177.357 176.300 -0.133 0.000 1.305 164 R CA -0.637 55.452 56.100 -0.018 0.000 1.096 164 R CB -0.341 30.024 30.300 0.108 0.000 1.455 164 R HN -0.108 nan 8.270 nan 0.000 0.520 165 V N 0.378 120.032 119.914 -0.433 0.000 2.719 165 V HA -0.098 4.022 4.120 -0.000 0.000 0.252 165 V C 1.167 177.044 176.094 -0.360 0.000 1.065 165 V CA 1.108 63.126 62.300 -0.471 0.000 1.086 165 V CB -0.266 31.135 31.823 -0.704 0.000 0.700 165 V HN 0.641 nan 8.190 nan 0.000 0.467 166 W N 0.266 121.596 121.300 0.051 0.000 2.425 166 W HA 0.096 4.756 4.660 -0.000 0.000 0.277 166 W C 2.386 178.958 176.519 0.088 0.000 1.231 166 W CA 0.642 58.026 57.345 0.065 0.000 1.248 166 W CB -0.831 28.680 29.460 0.085 0.000 1.117 166 W HN 0.292 nan 8.180 nan 0.000 0.568 167 G N 0.508 109.464 108.800 0.260 0.000 2.421 167 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.217 167 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.217 167 G C 1.683 176.624 174.900 0.068 0.000 1.143 167 G CA 0.914 46.164 45.100 0.251 0.000 0.784 167 G HN 0.279 nan 8.290 nan 0.000 0.541 168 A N 0.636 123.466 122.820 0.017 0.000 1.930 168 A HA 0.134 4.454 4.320 -0.000 0.000 0.217 168 A C 2.384 179.900 177.584 -0.114 0.000 1.175 168 A CA 0.992 52.998 52.037 -0.051 0.000 0.627 168 A CB -0.316 18.676 19.000 -0.012 0.000 0.815 168 A HN 0.352 nan 8.150 nan 0.000 0.443 169 L N -0.932 120.261 121.223 -0.050 0.000 2.017 169 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 169 L C 2.828 179.616 176.870 -0.137 0.000 1.073 169 L CA 1.140 55.956 54.840 -0.039 0.000 0.745 169 L CB -0.517 41.600 42.059 0.097 0.000 0.894 169 L HN 0.268 nan 8.230 nan 0.000 0.432 170 R N 0.312 120.742 120.500 -0.116 0.000 2.092 170 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 170 R C 2.256 178.214 176.300 -0.569 0.000 1.119 170 R CA 1.339 57.310 56.100 -0.215 0.000 0.970 170 R CB -1.433 28.894 30.300 0.044 0.000 0.864 170 R HN 0.410 nan 8.270 nan 0.000 0.440 171 G N 1.121 109.380 108.800 -0.901 0.000 2.408 171 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 171 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 171 G C 1.613 176.251 174.900 -0.437 0.000 1.150 171 G CA 0.213 44.688 45.100 -1.041 0.000 0.776 171 G HN 0.187 nan 8.290 nan 0.000 0.542 172 L N 0.060 121.023 121.223 -0.432 0.000 2.093 172 L HA -0.027 4.312 4.340 -0.000 0.000 0.208 172 L C 2.767 179.259 176.870 -0.630 0.000 1.085 172 L CA 1.332 55.856 54.840 -0.526 0.000 0.755 172 L CB -0.212 41.387 42.059 -0.767 0.000 0.904 172 L HN 0.256 nan 8.230 nan 0.000 0.435 173 E N 0.142 120.018 120.200 -0.540 0.000 2.047 173 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 173 E C 1.998 178.583 176.600 -0.025 0.000 0.987 173 E CA 2.024 58.346 56.400 -0.130 0.000 0.799 173 E CB -0.192 29.520 29.700 0.020 0.000 0.752 173 E HN 0.249 nan 8.360 nan 0.000 0.449 174 T N 0.247 114.759 114.554 -0.070 0.000 2.788 174 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 174 T C 1.482 176.216 174.700 0.058 0.000 1.044 174 T CA 1.227 63.337 62.100 0.016 0.000 1.139 174 T CB -0.549 68.374 68.868 0.093 0.000 0.867 174 T HN 0.256 nan 8.240 nan 0.000 0.454 175 F N 2.583 122.486 119.950 -0.079 0.000 2.171 175 F HA -0.154 4.373 4.527 -0.000 0.000 0.300 175 F C 2.578 178.346 175.800 -0.055 0.000 1.090 175 F CA 1.443 59.413 58.000 -0.051 0.000 1.293 175 F CB -0.350 38.614 39.000 -0.061 0.000 1.013 175 F HN 0.205 nan 8.300 nan 0.000 0.486 176 S N -0.443 115.301 115.700 0.073 0.000 2.402 176 S HA -0.224 4.246 4.470 -0.000 0.000 0.229 176 S C 1.774 176.333 174.600 -0.067 0.000 1.021 176 S CA 1.170 59.386 58.200 0.028 0.000 0.974 176 S CB -0.727 62.620 63.200 0.244 0.000 0.800 176 S HN 0.634 nan 8.310 nan 0.000 0.484 177 Q N 0.588 120.367 119.800 -0.035 0.000 2.245 177 Q HA 0.220 4.560 4.340 -0.000 0.000 0.201 177 Q C 2.047 178.018 176.000 -0.049 0.000 0.955 177 Q CA 0.833 56.623 55.803 -0.023 0.000 0.870 177 Q CB -0.344 28.407 28.738 0.023 0.000 0.945 177 Q HN 0.543 nan 8.270 nan 0.000 0.461 178 L N 0.290 121.437 121.223 -0.126 0.000 2.395 178 L HA 0.012 4.351 4.340 -0.000 0.000 0.218 178 L C 0.494 177.276 176.870 -0.147 0.000 1.130 178 L CA 0.049 54.811 54.840 -0.130 0.000 0.826 178 L CB 0.278 42.209 42.059 -0.214 0.000 0.941 178 L HN -0.028 nan 8.230 nan 0.000 0.451 179 V N 0.268 120.014 119.914 -0.280 0.000 2.498 179 V HA 0.181 4.300 4.120 -0.000 0.000 0.279 179 V C -0.383 175.668 176.094 -0.071 0.000 1.048 179 V CA -0.424 61.688 62.300 -0.313 0.000 0.967 179 V CB 0.484 32.006 31.823 -0.501 0.000 0.988 179 V HN 0.208 nan 8.190 nan 0.000 0.473 180 Y N 2.045 122.278 120.300 -0.111 0.000 2.689 180 Y HA 0.739 5.289 4.550 -0.000 0.000 0.333 180 Y C -0.778 175.089 175.900 -0.054 0.000 1.190 180 Y CA -1.478 56.579 58.100 -0.071 0.000 1.063 180 Y CB 1.453 39.864 38.460 -0.082 0.000 1.294 180 Y HN 0.490 nan 8.280 nan 0.000 0.466 181 Q N 1.988 121.841 119.800 0.089 0.000 2.312 181 Q HA 0.286 4.626 4.340 -0.000 0.000 0.263 181 Q C -1.060 175.001 176.000 0.102 0.000 0.995 181 Q CA -1.097 54.655 55.803 -0.086 0.000 0.853 181 Q CB 2.191 30.767 28.738 -0.270 0.000 1.300 181 Q HN 0.779 nan 8.270 nan 0.000 0.448 182 D N 0.539 120.982 120.400 0.072 0.000 2.376 182 D HA -0.052 4.588 4.640 -0.000 0.000 0.268 182 D C 0.980 177.307 176.300 0.044 0.000 1.252 182 D CA -0.142 53.942 54.000 0.140 0.000 1.041 182 D CB 0.158 41.066 40.800 0.182 0.000 1.109 182 D HN 0.469 nan 8.370 nan 0.000 0.552 183 S N -1.765 113.943 115.700 0.013 0.000 2.442 183 S HA -0.189 4.281 4.470 -0.000 0.000 0.236 183 S C 1.471 175.902 174.600 -0.282 0.000 1.007 183 S CA 0.636 58.740 58.200 -0.160 0.000 0.965 183 S CB -0.833 62.213 63.200 -0.257 0.000 0.773 183 S HN 0.540 nan 8.310 nan 0.000 0.504 184 Y N 1.521 121.801 120.300 -0.033 0.000 2.458 184 Y HA 0.447 4.997 4.550 -0.000 0.000 0.256 184 Y C 1.851 177.699 175.900 -0.088 0.000 1.159 184 Y CA -0.235 57.835 58.100 -0.050 0.000 1.261 184 Y CB 0.061 38.495 38.460 -0.044 0.000 1.119 184 Y HN 0.387 nan 8.280 nan 0.000 0.524 185 G N 0.319 109.108 108.800 -0.018 0.000 2.143 185 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.249 185 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.249 185 G C 0.112 174.842 174.900 -0.282 0.000 0.981 185 G CA 0.322 45.326 45.100 -0.160 0.000 0.665 185 G HN 0.253 nan 8.290 nan 0.000 0.528 186 T N 1.533 116.004 114.554 -0.138 0.000 2.779 186 T HA 0.469 4.819 4.350 -0.000 0.000 0.296 186 T C 0.373 174.981 174.700 -0.153 0.000 0.938 186 T CA -0.119 61.911 62.100 -0.117 0.000 1.119 186 T CB 0.423 69.276 68.868 -0.024 0.000 0.891 186 T HN 0.201 nan 8.240 nan 0.000 0.526 187 F N 3.159 123.124 119.950 0.024 0.000 2.557 187 F HA 0.250 4.777 4.527 -0.000 0.000 0.384 187 F C 1.438 177.172 175.800 -0.110 0.000 1.057 187 F CA 0.009 57.978 58.000 -0.051 0.000 1.169 187 F CB -0.033 38.995 39.000 0.047 0.000 1.070 187 F HN 0.448 nan 8.300 nan 0.000 0.554 188 T N 4.949 119.373 114.554 -0.217 0.000 2.901 188 T HA 0.739 5.089 4.350 -0.000 0.000 0.293 188 T C -1.118 173.174 174.700 -0.680 0.000 1.084 188 T CA -0.732 61.118 62.100 -0.416 0.000 1.008 188 T CB 2.311 70.895 68.868 -0.473 0.000 1.170 188 T HN 0.515 nan 8.240 nan 0.000 0.509 189 I N 1.459 121.733 120.570 -0.494 0.000 2.743 189 I HA 0.360 4.530 4.170 -0.000 0.000 0.292 189 I C -1.615 174.399 176.117 -0.172 0.000 1.343 189 I CA -0.815 60.277 61.300 -0.347 0.000 1.038 189 I CB 2.004 39.806 38.000 -0.330 0.000 1.311 189 I HN 0.503 nan 8.210 nan 0.000 0.426 190 N N 5.306 123.985 118.700 -0.034 0.000 2.497 190 N HA 0.091 4.831 4.740 -0.000 0.000 0.268 190 N C -0.599 174.906 175.510 -0.008 0.000 1.171 190 N CA -0.029 53.023 53.050 0.004 0.000 0.948 190 N CB 0.697 39.220 38.487 0.061 0.000 1.069 190 N HN 0.504 nan 8.380 nan 0.000 0.460 191 E N 1.488 121.684 120.200 -0.007 0.000 2.406 191 E HA 0.112 4.462 4.350 -0.000 0.000 0.258 191 E C -0.696 175.920 176.600 0.027 0.000 1.043 191 E CA -0.016 56.391 56.400 0.013 0.000 0.929 191 E CB 0.119 29.825 29.700 0.010 0.000 0.969 191 E HN 0.675 nan 8.360 nan 0.000 0.462 192 S N 2.430 118.155 115.700 0.043 0.000 2.688 192 S HA 0.637 5.107 4.470 -0.000 0.000 0.275 192 S C -0.716 173.922 174.600 0.062 0.000 1.175 192 S CA -0.712 57.517 58.200 0.048 0.000 0.818 192 S CB 1.774 65.001 63.200 0.046 0.000 1.157 192 S HN 0.490 nan 8.310 nan 0.000 0.482 193 T N -1.034 113.554 114.554 0.057 0.000 2.921 193 T HA 0.751 5.101 4.350 -0.000 0.000 0.297 193 T C -0.924 173.810 174.700 0.056 0.000 1.013 193 T CA -0.637 61.499 62.100 0.060 0.000 0.990 193 T CB 0.670 69.563 68.868 0.042 0.000 1.023 193 T HN 0.715 nan 8.240 nan 0.000 0.447 194 I N 3.157 123.768 120.570 0.068 0.000 2.499 194 I HA 0.455 4.625 4.170 -0.000 0.000 0.288 194 I C -0.803 175.303 176.117 -0.020 0.000 1.048 194 I CA -1.161 60.166 61.300 0.046 0.000 1.062 194 I CB 2.194 40.258 38.000 0.107 0.000 1.238 194 I HN 0.634 nan 8.210 nan 0.000 0.426 195 I N 4.870 125.398 120.570 -0.070 0.000 2.405 195 I HA 0.305 4.475 4.170 -0.000 0.000 0.280 195 I C -0.921 175.073 176.117 -0.205 0.000 1.027 195 I CA -0.252 60.965 61.300 -0.139 0.000 1.161 195 I CB 1.158 39.110 38.000 -0.080 0.000 1.300 195 I HN 0.470 nan 8.210 nan 0.000 0.463 196 D N 4.037 124.178 120.400 -0.431 0.000 2.342 196 D HA 0.637 5.277 4.640 -0.000 0.000 0.243 196 D C -1.020 175.102 176.300 -0.297 0.000 1.019 196 D CA -0.170 53.630 54.000 -0.335 0.000 0.864 196 D CB 2.158 42.782 40.800 -0.294 0.000 1.315 196 D HN 0.349 nan 8.370 nan 0.000 0.468 197 S N 1.932 117.507 115.700 -0.208 0.000 2.535 197 S HA 0.576 5.046 4.470 -0.000 0.000 0.272 197 S C -2.942 171.160 174.600 -0.831 0.000 1.149 197 S CA -1.171 56.813 58.200 -0.359 0.000 0.888 197 S CB 1.677 64.719 63.200 -0.263 0.000 1.110 197 S HN 0.288 nan 8.310 nan 0.000 0.463 198 P HA 0.266 nan 4.420 nan 0.000 0.275 198 P C 0.114 176.959 177.300 -0.759 0.000 1.227 198 P CA -0.339 61.840 63.100 -1.536 0.000 0.781 198 P CB 0.734 31.754 31.700 -1.133 0.000 0.906 199 R N 1.727 121.840 120.500 -0.645 0.000 2.119 199 R HA 0.074 4.414 4.340 -0.000 0.000 0.222 199 R C -0.092 175.751 176.300 -0.762 0.000 1.088 199 R CA 0.969 56.694 56.100 -0.626 0.000 0.984 199 R CB 0.041 29.984 30.300 -0.595 0.000 0.884 199 R HN 0.390 nan 8.270 nan 0.000 0.447 200 F N -0.829 119.063 119.950 -0.097 0.000 2.551 200 F HA 0.217 4.744 4.527 -0.000 0.000 0.316 200 F C 1.066 176.845 175.800 -0.035 0.000 1.089 200 F CA -0.903 57.094 58.000 -0.005 0.000 0.915 200 F CB 2.224 41.278 39.000 0.091 0.000 1.186 200 F HN -0.110 nan 8.300 nan 0.000 0.456 201 S N -0.367 115.440 115.700 0.178 0.000 2.496 201 S HA -0.034 4.436 4.470 -0.000 0.000 0.224 201 S C 0.269 174.943 174.600 0.122 0.000 0.996 201 S CA 0.537 58.796 58.200 0.098 0.000 0.927 201 S CB -0.604 62.638 63.200 0.070 0.000 0.774 201 S HN 0.705 nan 8.310 nan 0.000 0.524 202 H N 1.491 120.598 119.070 0.062 0.000 2.673 202 H HA 0.566 5.122 4.556 -0.000 0.000 0.293 202 H C -0.650 174.701 175.328 0.040 0.000 1.065 202 H CA -0.687 55.371 56.048 0.016 0.000 1.236 202 H CB 0.355 30.077 29.762 -0.067 0.000 1.389 202 H HN 0.146 nan 8.280 nan 0.000 0.481 203 R N 4.168 124.617 120.500 -0.085 0.000 2.472 203 R HA 0.400 4.740 4.340 -0.000 0.000 0.294 203 R C -0.594 175.798 176.300 0.154 0.000 1.243 203 R CA -0.694 55.404 56.100 -0.003 0.000 1.023 203 R CB 1.740 31.957 30.300 -0.139 0.000 1.157 203 R HN 0.641 nan 8.270 nan 0.000 0.530 204 G N 2.235 111.156 108.800 0.202 0.000 2.568 204 G HA2 0.652 4.612 3.960 -0.000 0.000 0.313 204 G HA3 0.652 4.612 3.960 -0.000 0.000 0.313 204 G C -0.793 174.178 174.900 0.119 0.000 1.227 204 G CA -0.484 44.716 45.100 0.168 0.000 0.979 204 G HN 0.245 nan 8.290 nan 0.000 0.486 205 I N 0.907 121.432 120.570 -0.075 0.000 2.447 205 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 205 I C -0.587 175.406 176.117 -0.207 0.000 1.023 205 I CA -0.603 60.536 61.300 -0.268 0.000 1.083 205 I CB 1.570 39.311 38.000 -0.431 0.000 1.245 205 I HN 0.322 nan 8.210 nan 0.000 0.434 206 L N 8.088 129.126 121.223 -0.308 0.000 2.257 206 L HA 0.544 4.884 4.340 -0.000 0.000 0.290 206 L C -0.184 176.398 176.870 -0.481 0.000 1.044 206 L CA -0.440 54.145 54.840 -0.425 0.000 0.810 206 L CB 0.596 42.205 42.059 -0.751 0.000 1.193 206 L HN 0.547 nan 8.230 nan 0.000 0.425 207 I N 1.099 121.461 120.570 -0.346 0.000 2.525 207 I HA 0.536 4.706 4.170 -0.000 0.000 0.301 207 I C -1.021 174.961 176.117 -0.225 0.000 0.992 207 I CA -0.680 60.436 61.300 -0.306 0.000 1.162 207 I CB 1.858 39.685 38.000 -0.288 0.000 1.332 207 I HN 0.435 nan 8.210 nan 0.000 0.458 208 D N 3.859 124.162 120.400 -0.160 0.000 2.453 208 D HA 0.227 4.867 4.640 -0.000 0.000 0.238 208 D C 0.396 176.780 176.300 0.140 0.000 1.088 208 D CA -0.432 53.563 54.000 -0.008 0.000 0.854 208 D CB 1.541 42.314 40.800 -0.045 0.000 1.076 208 D HN 0.753 nan 8.370 nan 0.000 0.533 209 T N -0.206 114.505 114.554 0.262 0.000 3.186 209 T HA 0.136 4.486 4.350 -0.000 0.000 0.257 209 T C 1.157 176.096 174.700 0.399 0.000 1.029 209 T CA -0.109 62.207 62.100 0.360 0.000 0.916 209 T CB 0.332 69.526 68.868 0.544 0.000 1.041 209 T HN 0.125 nan 8.240 nan 0.000 0.562 210 S N 0.605 116.492 115.700 0.312 0.000 2.566 210 S HA 0.205 4.675 4.470 -0.000 0.000 0.234 210 S C 1.958 176.681 174.600 0.205 0.000 1.075 210 S CA -0.212 58.127 58.200 0.231 0.000 0.926 210 S CB 0.008 63.336 63.200 0.214 0.000 0.811 210 S HN 0.307 nan 8.310 nan 0.000 0.518 211 R N 0.476 121.098 120.500 0.203 0.000 2.189 211 R HA 0.268 4.608 4.340 -0.000 0.000 0.218 211 R C -0.191 176.110 176.300 0.001 0.000 1.074 211 R CA 0.895 57.062 56.100 0.113 0.000 0.991 211 R CB -0.180 30.161 30.300 0.070 0.000 0.883 211 R HN 0.489 nan 8.270 nan 0.000 0.457 212 H N -2.171 117.091 119.070 0.320 0.000 3.149 212 H HA 0.135 4.691 4.556 -0.000 0.000 0.334 212 H C -1.616 173.927 175.328 0.359 0.000 1.000 212 H CA -0.914 55.319 56.048 0.308 0.000 1.415 212 H CB 0.867 30.721 29.762 0.154 0.000 1.819 212 H HN -0.018 nan 8.280 nan 0.000 0.486 213 Y N 4.006 124.582 120.300 0.461 0.000 2.610 213 Y HA 0.191 4.741 4.550 -0.000 0.000 0.332 213 Y C -0.937 175.112 175.900 0.248 0.000 1.201 213 Y CA 0.114 58.434 58.100 0.365 0.000 1.465 213 Y CB 0.347 39.055 38.460 0.414 0.000 1.283 213 Y HN 0.487 nan 8.280 nan 0.000 0.563 214 L N 9.046 130.008 121.223 -0.436 0.000 2.333 214 L HA 0.443 4.783 4.340 -0.000 0.000 0.280 214 L C -2.342 174.188 176.870 -0.567 0.000 1.004 214 L CA -2.331 52.306 54.840 -0.338 0.000 0.820 214 L CB 1.767 43.743 42.059 -0.138 0.000 1.247 214 L HN 0.560 nan 8.230 nan 0.000 0.416 215 P HA 0.038 nan 4.420 nan 0.000 0.271 215 P C 1.023 178.265 177.300 -0.097 0.000 1.216 215 P CA -0.355 62.645 63.100 -0.167 0.000 0.776 215 P CB 0.929 32.591 31.700 -0.065 0.000 0.881 216 V N 2.587 122.497 119.914 -0.006 0.000 2.370 216 V HA -0.318 3.802 4.120 -0.000 0.000 0.252 216 V C 2.136 178.154 176.094 -0.127 0.000 1.068 216 V CA 1.986 64.265 62.300 -0.036 0.000 1.061 216 V CB -0.969 30.867 31.823 0.023 0.000 0.656 216 V HN 0.564 nan 8.190 nan 0.000 0.455 217 K N -0.117 120.223 120.400 -0.101 0.000 2.044 217 K HA -0.126 4.194 4.320 -0.000 0.000 0.210 217 K C 1.960 178.485 176.600 -0.125 0.000 1.049 217 K CA 1.711 57.928 56.287 -0.117 0.000 0.927 217 K CB -0.629 31.828 32.500 -0.072 0.000 0.713 217 K HN 0.487 nan 8.250 nan 0.000 0.443 218 I N 0.168 120.673 120.570 -0.107 0.000 2.676 218 I HA -0.152 4.018 4.170 -0.000 0.000 0.259 218 I C 1.447 177.487 176.117 -0.128 0.000 1.194 218 I CA 0.853 62.096 61.300 -0.094 0.000 1.473 218 I CB 0.145 38.099 38.000 -0.077 0.000 1.096 218 I HN 0.133 nan 8.210 nan 0.000 0.443 219 I N 0.208 120.664 120.570 -0.190 0.000 2.500 219 I HA -0.247 3.923 4.170 -0.000 0.000 0.252 219 I C 2.152 178.133 176.117 -0.226 0.000 1.142 219 I CA 0.981 62.123 61.300 -0.263 0.000 1.451 219 I CB -0.155 37.601 38.000 -0.406 0.000 1.093 219 I HN 0.211 nan 8.210 nan 0.000 0.430 220 L N 0.422 121.489 121.223 -0.259 0.000 2.131 220 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 220 L C 2.391 179.194 176.870 -0.112 0.000 1.087 220 L CA 1.169 55.800 54.840 -0.348 0.000 0.767 220 L CB -0.529 41.078 42.059 -0.753 0.000 0.917 220 L HN 0.143 nan 8.230 nan 0.000 0.441 221 K N -0.412 119.930 120.400 -0.097 0.000 2.211 221 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 221 K C 2.031 178.610 176.600 -0.034 0.000 1.050 221 K CA 1.402 57.669 56.287 -0.034 0.000 0.945 221 K CB -0.146 32.337 32.500 -0.028 0.000 0.732 221 K HN 0.251 nan 8.250 nan 0.000 0.451 222 T N 1.846 116.388 114.554 -0.021 0.000 2.812 222 T HA -0.029 4.321 4.350 -0.000 0.000 0.264 222 T C 1.828 176.524 174.700 -0.006 0.000 1.042 222 T CA 0.790 62.918 62.100 0.046 0.000 1.140 222 T CB -0.082 68.802 68.868 0.027 0.000 0.870 222 T HN 0.100 nan 8.240 nan 0.000 0.445 223 L N 0.979 122.191 121.223 -0.017 0.000 2.083 223 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 223 L C 2.456 179.253 176.870 -0.123 0.000 1.083 223 L CA 1.099 55.938 54.840 -0.002 0.000 0.752 223 L CB -0.533 41.608 42.059 0.138 0.000 0.899 223 L HN 0.184 nan 8.230 nan 0.000 0.433 224 D N 0.128 120.440 120.400 -0.147 0.000 2.117 224 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 224 D C 2.226 177.965 176.300 -0.934 0.000 0.987 224 D CA 1.537 55.256 54.000 -0.467 0.000 0.829 224 D CB 0.037 40.718 40.800 -0.198 0.000 0.961 224 D HN 0.320 nan 8.370 nan 0.000 0.460 225 A N 0.688 123.190 122.820 -0.530 0.000 1.898 225 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 225 A C 2.282 179.500 177.584 -0.609 0.000 1.181 225 A CA 1.146 52.799 52.037 -0.639 0.000 0.620 225 A CB -0.525 17.851 19.000 -1.041 0.000 0.819 225 A HN 0.136 nan 8.150 nan 0.000 0.442 226 M N -0.446 118.983 119.600 -0.285 0.000 2.159 226 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 226 M C 2.462 178.779 176.300 0.028 0.000 1.063 226 M CA 1.417 56.741 55.300 0.041 0.000 1.110 226 M CB -0.384 32.272 32.600 0.093 0.000 1.374 226 M HN 0.485 nan 8.290 nan 0.000 0.411 227 A N -0.022 122.665 122.820 -0.222 0.000 1.969 227 A HA -0.122 4.197 4.320 -0.000 0.000 0.218 227 A C 1.692 179.187 177.584 -0.149 0.000 1.169 227 A CA 1.353 53.259 52.037 -0.218 0.000 0.635 227 A CB -0.826 17.951 19.000 -0.372 0.000 0.810 227 A HN 0.426 nan 8.150 nan 0.000 0.445 228 F N 0.360 120.258 119.950 -0.087 0.000 2.407 228 F HA -0.014 4.513 4.527 -0.000 0.000 0.299 228 F C 1.921 177.760 175.800 0.065 0.000 1.097 228 F CA 0.730 58.685 58.000 -0.075 0.000 1.422 228 F CB -0.485 38.382 39.000 -0.222 0.000 1.067 228 F HN 0.311 nan 8.300 nan 0.000 0.539 229 N N 0.140 119.001 118.700 0.269 0.000 2.236 229 N HA 0.015 4.755 4.740 -0.000 0.000 0.196 229 N C 0.093 175.681 175.510 0.130 0.000 1.114 229 N CA 0.094 53.360 53.050 0.360 0.000 0.859 229 N CB 0.292 39.191 38.487 0.687 0.000 0.982 229 N HN 0.150 nan 8.380 nan 0.000 0.493 230 K N 0.184 120.608 120.400 0.039 0.000 3.230 230 K HA -0.158 4.162 4.320 -0.000 0.000 0.285 230 K C -0.767 175.850 176.600 0.028 0.000 1.196 230 K CA 0.427 56.650 56.287 -0.107 0.000 0.838 230 K CB -1.788 30.343 32.500 -0.616 0.000 1.262 230 K HN 0.123 nan 8.250 nan 0.000 0.492 231 F N 1.556 121.556 119.950 0.084 0.000 2.410 231 F HA 0.076 4.603 4.527 -0.000 0.000 0.334 231 F C 1.675 177.508 175.800 0.055 0.000 1.134 231 F CA 0.339 58.395 58.000 0.093 0.000 1.227 231 F CB 0.489 39.553 39.000 0.105 0.000 1.194 231 F HN 0.178 nan 8.300 nan 0.000 0.571 232 N N -0.423 118.392 118.700 0.192 0.000 2.143 232 N HA 0.155 4.895 4.740 -0.000 0.000 0.229 232 N C -1.289 174.221 175.510 0.001 0.000 1.294 232 N CA 0.149 53.246 53.050 0.079 0.000 0.883 232 N CB 0.327 38.842 38.487 0.047 0.000 1.148 232 N HN 0.171 nan 8.380 nan 0.000 0.511 233 V N 1.382 121.293 119.914 -0.004 0.000 2.623 233 V HA 0.415 4.535 4.120 -0.000 0.000 0.304 233 V C -1.228 174.862 176.094 -0.007 0.000 1.054 233 V CA -0.877 61.376 62.300 -0.079 0.000 0.882 233 V CB 2.281 33.887 31.823 -0.361 0.000 1.002 233 V HN 0.134 nan 8.190 nan 0.000 0.424 234 L N 4.563 125.796 121.223 0.015 0.000 2.321 234 L HA 0.484 4.824 4.340 -0.000 0.000 0.272 234 L C 0.158 177.066 176.870 0.064 0.000 1.050 234 L CA -0.095 54.753 54.840 0.014 0.000 0.893 234 L CB 0.210 42.270 42.059 0.000 0.000 1.272 234 L HN 0.757 nan 8.230 nan 0.000 0.435 235 H N 4.471 123.511 119.070 -0.050 0.000 3.362 235 H HA -0.023 4.533 4.556 -0.000 0.000 0.248 235 H C -0.756 174.554 175.328 -0.029 0.000 1.276 235 H CA -0.109 55.908 56.048 -0.053 0.000 1.520 235 H CB 0.232 29.932 29.762 -0.104 0.000 1.624 235 H HN 0.659 nan 8.280 nan 0.000 0.502 236 W N 7.911 129.189 121.300 -0.036 0.000 2.247 236 W HA 0.049 4.709 4.660 -0.000 0.000 0.394 236 W C -0.377 176.070 176.519 -0.121 0.000 0.939 236 W CA -0.759 56.526 57.345 -0.100 0.000 1.548 236 W CB -0.743 28.629 29.460 -0.147 0.000 1.610 236 W HN 0.645 nan 8.180 nan 0.000 0.336 237 H N 6.122 125.305 119.070 0.188 0.000 3.356 237 H HA -0.016 4.539 4.556 -0.000 0.000 0.260 237 H C 1.313 176.669 175.328 0.045 0.000 1.570 237 H CA 0.531 56.592 56.048 0.022 0.000 1.547 237 H CB 0.017 29.698 29.762 -0.135 0.000 1.774 237 H HN 0.561 nan 8.280 nan 0.000 0.542 238 I N 4.044 124.453 120.570 -0.268 0.000 2.286 238 I HA -0.149 4.020 4.170 -0.000 0.000 0.245 238 I C 0.383 176.389 176.117 -0.185 0.000 1.104 238 I CA 0.710 61.825 61.300 -0.309 0.000 1.397 238 I CB 0.436 37.827 38.000 -1.016 0.000 1.072 238 I HN 0.286 nan 8.210 nan 0.000 0.417 239 V N -2.160 117.545 119.914 -0.348 0.000 3.113 239 V HA 0.642 4.762 4.120 -0.000 0.000 0.316 239 V C -0.674 175.488 176.094 0.113 0.000 1.125 239 V CA -0.677 61.524 62.300 -0.165 0.000 1.026 239 V CB 1.821 33.379 31.823 -0.442 0.000 1.080 239 V HN 0.219 nan 8.190 nan 0.000 0.444 240 D N -0.827 119.740 120.400 0.279 0.000 3.485 240 D HA 0.137 4.777 4.640 -0.000 0.000 0.358 240 D C 0.026 176.519 176.300 0.321 0.000 1.487 240 D CA -0.015 54.201 54.000 0.360 0.000 0.922 240 D CB 1.447 42.467 40.800 0.368 0.000 1.479 240 D HN 0.540 nan 8.370 nan 0.000 0.567 241 D N -0.215 120.336 120.400 0.251 0.000 2.097 241 D HA -0.116 4.523 4.640 -0.000 0.000 0.197 241 D C 1.692 178.051 176.300 0.099 0.000 0.984 241 D CA 1.525 55.622 54.000 0.162 0.000 0.826 241 D CB 0.164 41.033 40.800 0.115 0.000 0.973 241 D HN 0.217 nan 8.370 nan 0.000 0.460 242 Q N 0.207 120.046 119.800 0.066 0.000 2.119 242 Q HA -0.003 4.337 4.340 -0.000 0.000 0.201 242 Q C 0.701 176.572 176.000 -0.215 0.000 0.972 242 Q CA 0.584 56.379 55.803 -0.014 0.000 0.847 242 Q CB 0.158 28.922 28.738 0.043 0.000 0.903 242 Q HN 0.264 nan 8.270 nan 0.000 0.433 243 S N -2.242 113.330 115.700 -0.212 0.000 2.611 243 S HA 0.568 5.038 4.470 -0.000 0.000 0.268 243 S C -1.537 173.060 174.600 -0.005 0.000 1.156 243 S CA -1.011 56.995 58.200 -0.323 0.000 0.817 243 S CB 0.601 63.204 63.200 -0.995 0.000 1.122 243 S HN 0.080 nan 8.310 nan 0.000 0.466 244 F N 2.817 122.696 119.950 -0.119 0.000 2.686 244 F HA 0.522 5.049 4.527 -0.000 0.000 0.365 244 F C -2.156 173.665 175.800 0.035 0.000 1.196 244 F CA -1.988 55.992 58.000 -0.034 0.000 1.198 244 F CB 2.051 40.985 39.000 -0.110 0.000 1.454 244 F HN 0.413 nan 8.300 nan 0.000 0.539 245 P HA -0.166 nan 4.420 nan 0.000 0.220 245 P C 0.385 177.841 177.300 0.260 0.000 1.152 245 P CA 0.860 64.075 63.100 0.192 0.000 0.812 245 P CB -0.044 31.891 31.700 0.392 0.000 0.792 246 Y N 2.175 122.496 120.300 0.035 0.000 2.717 246 Y HA 0.003 4.553 4.550 -0.000 0.000 0.330 246 Y C 0.832 176.893 175.900 0.269 0.000 1.217 246 Y CA 0.117 58.282 58.100 0.109 0.000 1.506 246 Y CB 0.114 38.546 38.460 -0.047 0.000 1.268 246 Y HN -0.061 nan 8.280 nan 0.000 0.561 247 Q N 5.283 124.815 119.800 -0.447 0.000 2.360 247 Q HA 0.254 4.594 4.340 -0.000 0.000 0.254 247 Q C -0.886 174.807 176.000 -0.511 0.000 0.975 247 Q CA -0.490 55.141 55.803 -0.286 0.000 0.912 247 Q CB 0.824 29.454 28.738 -0.181 0.000 1.212 247 Q HN 0.728 nan 8.270 nan 0.000 0.452 248 S N 4.252 119.933 115.700 -0.032 0.000 2.513 248 S HA 0.257 4.727 4.470 -0.000 0.000 0.276 248 S C 1.153 175.765 174.600 0.021 0.000 1.254 248 S CA -0.501 57.779 58.200 0.133 0.000 1.053 248 S CB 0.478 63.953 63.200 0.459 0.000 0.958 248 S HN 0.791 nan 8.310 nan 0.000 0.491 249 I N 3.814 124.360 120.570 -0.039 0.000 2.233 249 I HA -0.132 4.038 4.170 -0.000 0.000 0.243 249 I C 2.643 178.691 176.117 -0.115 0.000 1.093 249 I CA 1.519 62.772 61.300 -0.077 0.000 1.380 249 I CB -0.599 37.346 38.000 -0.091 0.000 1.067 249 I HN 0.793 nan 8.210 nan 0.000 0.413 250 T N -1.498 112.946 114.554 -0.184 0.000 2.951 250 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 250 T C 0.498 174.800 174.700 -0.664 0.000 1.073 250 T CA 0.718 62.547 62.100 -0.451 0.000 1.134 250 T CB -0.304 68.199 68.868 -0.609 0.000 0.884 250 T HN 0.088 nan 8.240 nan 0.000 0.479 251 F N 1.473 121.463 119.950 0.067 0.000 2.686 251 F HA 0.447 4.974 4.527 -0.000 0.000 0.365 251 F C -2.279 173.551 175.800 0.050 0.000 1.196 251 F CA -2.779 55.277 58.000 0.094 0.000 1.198 251 F CB 1.854 40.973 39.000 0.199 0.000 1.454 251 F HN -0.083 nan 8.300 nan 0.000 0.539 252 P HA -0.135 nan 4.420 nan 0.000 0.220 252 P C 1.292 178.622 177.300 0.050 0.000 1.148 252 P CA 1.234 64.372 63.100 0.063 0.000 0.803 252 P CB 0.383 32.097 31.700 0.023 0.000 0.782 253 E N -0.956 119.281 120.200 0.061 0.000 2.418 253 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 253 E C 1.750 178.300 176.600 -0.083 0.000 1.026 253 E CA 0.478 56.877 56.400 -0.001 0.000 0.862 253 E CB -0.559 29.144 29.700 0.005 0.000 0.799 253 E HN 0.244 nan 8.360 nan 0.000 0.518 254 L N 1.040 122.193 121.223 -0.117 0.000 1.994 254 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 254 L C 2.500 179.167 176.870 -0.338 0.000 1.071 254 L CA 2.024 56.605 54.840 -0.432 0.000 0.745 254 L CB -1.009 40.652 42.059 -0.662 0.000 0.892 254 L HN 0.118 nan 8.230 nan 0.000 0.431 255 S N -1.531 114.155 115.700 -0.024 0.000 2.414 255 S HA -0.081 4.389 4.470 -0.000 0.000 0.227 255 S C 1.839 176.460 174.600 0.034 0.000 1.022 255 S CA 0.726 59.008 58.200 0.135 0.000 0.958 255 S CB -0.566 62.737 63.200 0.172 0.000 0.797 255 S HN 0.357 nan 8.310 nan 0.000 0.493 256 N N 1.976 120.674 118.700 -0.003 0.000 2.223 256 N HA 0.021 4.761 4.740 -0.000 0.000 0.185 256 N C 1.351 176.844 175.510 -0.029 0.000 1.016 256 N CA 1.096 54.137 53.050 -0.014 0.000 0.863 256 N CB -0.126 38.352 38.487 -0.014 0.000 0.983 256 N HN 0.428 nan 8.380 nan 0.000 0.429 257 K N -1.328 119.039 120.400 -0.055 0.000 2.391 257 K HA 0.285 4.605 4.320 -0.000 0.000 0.197 257 K C 1.613 178.172 176.600 -0.069 0.000 1.087 257 K CA 0.298 56.545 56.287 -0.065 0.000 1.012 257 K CB 0.494 32.940 32.500 -0.089 0.000 0.925 257 K HN 0.146 nan 8.250 nan 0.000 0.547 258 G N 1.486 110.244 108.800 -0.069 0.000 2.608 258 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.210 258 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.210 258 G C 0.706 175.612 174.900 0.010 0.000 1.139 258 G CA 0.177 45.259 45.100 -0.030 0.000 0.812 258 G HN 0.306 nan 8.290 nan 0.000 0.529 259 S N -0.552 115.165 115.700 0.028 0.000 2.589 259 S HA 0.192 4.661 4.470 -0.000 0.000 0.265 259 S C 1.036 175.593 174.600 -0.072 0.000 1.342 259 S CA -0.436 57.750 58.200 -0.023 0.000 1.005 259 S CB 0.605 63.816 63.200 0.018 0.000 0.909 259 S HN 0.196 nan 8.310 nan 0.000 0.555 260 Y N 1.632 121.893 120.300 -0.064 0.000 2.128 260 Y HA 0.003 4.553 4.550 -0.000 0.000 0.284 260 Y C 1.753 177.528 175.900 -0.209 0.000 1.154 260 Y CA 1.359 59.356 58.100 -0.172 0.000 1.149 260 Y CB -0.644 37.620 38.460 -0.328 0.000 0.976 260 Y HN 0.978 nan 8.280 nan 0.000 0.505 261 S N -2.491 113.176 115.700 -0.055 0.000 2.596 261 S HA 0.313 4.783 4.470 -0.000 0.000 0.270 261 S C 0.171 174.767 174.600 -0.007 0.000 1.155 261 S CA -0.799 57.374 58.200 -0.044 0.000 0.827 261 S CB 0.803 63.960 63.200 -0.072 0.000 1.130 261 S HN 0.086 nan 8.310 nan 0.000 0.467 262 L N 1.582 122.802 121.223 -0.004 0.000 2.261 262 L HA -0.082 4.258 4.340 -0.000 0.000 0.216 262 L C 2.713 179.565 176.870 -0.030 0.000 1.114 262 L CA 1.566 56.398 54.840 -0.014 0.000 0.777 262 L CB -0.692 41.361 42.059 -0.009 0.000 0.910 262 L HN 0.933 nan 8.230 nan 0.000 0.440 263 S N -2.469 113.228 115.700 -0.005 0.000 2.446 263 S HA -0.090 4.380 4.470 -0.000 0.000 0.225 263 S C 1.168 175.607 174.600 -0.269 0.000 1.016 263 S CA 0.164 58.328 58.200 -0.061 0.000 0.943 263 S CB -0.373 62.824 63.200 -0.005 0.000 0.786 263 S HN 0.460 nan 8.310 nan 0.000 0.508 264 H N 1.228 120.007 119.070 -0.486 0.000 2.768 264 H HA 0.527 5.082 4.556 -0.000 0.000 0.219 264 H C -0.911 173.885 175.328 -0.887 0.000 1.898 264 H CA -0.182 55.186 56.048 -1.133 0.000 1.313 264 H CB -0.118 29.237 29.762 -0.677 0.000 1.701 264 H HN 0.172 nan 8.280 nan 0.000 0.534 265 V N 1.777 121.365 119.914 -0.543 0.000 2.925 265 V HA 0.137 4.257 4.120 -0.000 0.000 0.311 265 V C -0.960 175.061 176.094 -0.123 0.000 1.104 265 V CA -0.934 61.238 62.300 -0.214 0.000 0.954 265 V CB 2.332 34.108 31.823 -0.078 0.000 1.022 265 V HN 0.340 nan 8.190 nan 0.000 0.427 266 Y N 2.244 122.671 120.300 0.212 0.000 2.504 266 Y HA 0.437 4.987 4.550 -0.000 0.000 0.339 266 Y C 1.212 177.124 175.900 0.019 0.000 0.974 266 Y CA -0.735 57.482 58.100 0.195 0.000 1.232 266 Y CB 1.005 39.639 38.460 0.289 0.000 1.108 266 Y HN 0.763 nan 8.280 nan 0.000 0.509 267 T N 0.652 115.294 114.554 0.147 0.000 2.802 267 T HA 0.110 4.460 4.350 -0.000 0.000 0.305 267 T C -1.747 172.956 174.700 0.004 0.000 1.053 267 T CA -1.626 60.491 62.100 0.029 0.000 1.058 267 T CB 1.144 70.031 68.868 0.031 0.000 0.988 267 T HN 0.259 nan 8.240 nan 0.000 0.539 268 P HA -0.131 nan 4.420 nan 0.000 0.216 268 P C 1.433 178.723 177.300 -0.017 0.000 1.154 268 P CA 1.197 64.255 63.100 -0.070 0.000 0.865 268 P CB -0.066 31.589 31.700 -0.075 0.000 0.789 269 N N -1.183 117.523 118.700 0.010 0.000 2.244 269 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 269 N C 1.317 176.867 175.510 0.067 0.000 1.016 269 N CA 1.219 54.288 53.050 0.032 0.000 0.866 269 N CB -0.514 37.990 38.487 0.029 0.000 0.980 269 N HN -0.051 nan 8.380 nan 0.000 0.430 270 D N -0.510 119.953 120.400 0.105 0.000 2.084 270 D HA -0.103 4.537 4.640 -0.000 0.000 0.194 270 D C 2.006 178.423 176.300 0.195 0.000 0.990 270 D CA 0.920 55.024 54.000 0.172 0.000 0.826 270 D CB -0.461 40.514 40.800 0.291 0.000 0.971 270 D HN 0.070 nan 8.370 nan 0.000 0.453 271 V N 0.992 121.018 119.914 0.187 0.000 2.343 271 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 271 V C 2.572 178.725 176.094 0.098 0.000 1.051 271 V CA 1.576 63.982 62.300 0.177 0.000 1.036 271 V CB -0.461 31.355 31.823 -0.012 0.000 0.654 271 V HN 0.144 nan 8.190 nan 0.000 0.451 272 R N -0.368 120.154 120.500 0.035 0.000 2.091 272 R HA -0.207 4.132 4.340 -0.000 0.000 0.238 272 R C 2.350 178.708 176.300 0.097 0.000 1.136 272 R CA 2.235 58.356 56.100 0.037 0.000 0.959 272 R CB -0.271 30.042 30.300 0.022 0.000 0.856 272 R HN 0.549 nan 8.270 nan 0.000 0.437 273 M N 0.080 119.740 119.600 0.100 0.000 2.175 273 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 273 M C 1.758 178.136 176.300 0.131 0.000 1.063 273 M CA 1.394 56.756 55.300 0.105 0.000 1.119 273 M CB 0.212 32.852 32.600 0.068 0.000 1.377 273 M HN 0.037 nan 8.290 nan 0.000 0.415 274 V N 0.840 120.830 119.914 0.127 0.000 2.358 274 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 274 V C 2.287 178.504 176.094 0.205 0.000 1.047 274 V CA 1.849 64.219 62.300 0.116 0.000 1.035 274 V CB -0.631 31.235 31.823 0.071 0.000 0.658 274 V HN 0.518 nan 8.190 nan 0.000 0.452 275 I N 0.094 120.804 120.570 0.233 0.000 2.226 275 I HA -0.238 3.931 4.170 -0.000 0.000 0.245 275 I C 2.605 178.902 176.117 0.299 0.000 1.100 275 I CA 1.798 63.258 61.300 0.266 0.000 1.374 275 I CB -0.301 37.820 38.000 0.202 0.000 1.057 275 I HN 0.335 nan 8.210 nan 0.000 0.413 276 E N 0.384 120.739 120.200 0.258 0.000 2.152 276 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 276 E C 2.027 178.731 176.600 0.174 0.000 0.983 276 E CA 1.215 57.743 56.400 0.212 0.000 0.818 276 E CB -0.334 29.465 29.700 0.165 0.000 0.758 276 E HN 0.491 nan 8.360 nan 0.000 0.467 277 Y N -0.127 120.215 120.300 0.069 0.000 2.293 277 Y HA -0.026 4.524 4.550 -0.000 0.000 0.291 277 Y C 2.005 177.926 175.900 0.034 0.000 1.137 277 Y CA 1.498 59.618 58.100 0.033 0.000 1.202 277 Y CB -0.283 38.184 38.460 0.011 0.000 0.990 277 Y HN 0.144 nan 8.280 nan 0.000 0.537 278 A N 0.092 123.025 122.820 0.188 0.000 1.929 278 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 278 A C 2.315 179.952 177.584 0.088 0.000 1.176 278 A CA 1.271 53.380 52.037 0.121 0.000 0.628 278 A CB -0.624 18.470 19.000 0.158 0.000 0.816 278 A HN 0.454 nan 8.150 nan 0.000 0.444 279 R N -0.134 120.440 120.500 0.123 0.000 2.096 279 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 279 R C 1.609 177.962 176.300 0.088 0.000 1.127 279 R CA 1.304 57.470 56.100 0.110 0.000 0.968 279 R CB -0.397 29.903 30.300 0.001 0.000 0.861 279 R HN 0.532 nan 8.270 nan 0.000 0.440 280 L N -0.000 121.216 121.223 -0.011 0.000 2.549 280 L HA -0.094 4.245 4.340 -0.000 0.000 0.230 280 L C 1.422 178.274 176.870 -0.031 0.000 1.162 280 L CA 1.099 55.904 54.840 -0.059 0.000 0.834 280 L CB -0.072 41.892 42.059 -0.158 0.000 0.947 280 L HN 0.124 nan 8.230 nan 0.000 0.452 281 R N -0.712 119.787 120.500 -0.003 0.000 2.596 281 R HA 0.231 4.571 4.340 -0.000 0.000 0.369 281 R C 0.939 177.305 176.300 0.110 0.000 1.042 281 R CA 0.359 56.471 56.100 0.020 0.000 1.120 281 R CB 0.950 31.198 30.300 -0.087 0.000 1.353 281 R HN 0.179 nan 8.270 nan 0.000 0.564 282 G N 1.824 110.749 108.800 0.207 0.000 2.249 282 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.273 282 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.273 282 G C 0.016 174.939 174.900 0.038 0.000 1.036 282 G CA 0.243 45.468 45.100 0.209 0.000 0.824 282 G HN 0.295 nan 8.290 nan 0.000 0.504 283 I N -0.211 120.387 120.570 0.048 0.000 2.378 283 I HA 0.419 4.588 4.170 -0.000 0.000 0.291 283 I C 0.926 177.077 176.117 0.056 0.000 0.992 283 I CA -1.030 60.295 61.300 0.042 0.000 1.154 283 I CB 1.394 39.429 38.000 0.059 0.000 1.315 283 I HN 0.029 nan 8.210 nan 0.000 0.448 284 R N 3.854 124.372 120.500 0.029 0.000 2.615 284 R HA 0.500 4.840 4.340 -0.000 0.000 0.270 284 R C -0.828 175.535 176.300 0.104 0.000 1.081 284 R CA -0.533 55.606 56.100 0.066 0.000 1.154 284 R CB 1.175 31.492 30.300 0.028 0.000 1.063 284 R HN 0.349 nan 8.270 nan 0.000 0.519 285 V N 3.900 123.909 119.914 0.159 0.000 2.266 285 V HA 0.137 4.257 4.120 -0.000 0.000 0.271 285 V C -0.813 175.367 176.094 0.144 0.000 1.032 285 V CA -0.635 61.794 62.300 0.214 0.000 0.806 285 V CB 1.079 33.127 31.823 0.375 0.000 1.052 285 V HN 0.430 nan 8.190 nan 0.000 0.449 286 L N 9.400 130.649 121.223 0.042 0.000 2.295 286 L HA 0.572 4.912 4.340 -0.000 0.000 0.288 286 L C -2.199 174.540 176.870 -0.218 0.000 1.079 286 L CA -1.399 53.391 54.840 -0.084 0.000 0.830 286 L CB 0.925 42.909 42.059 -0.125 0.000 1.200 286 L HN 0.324 nan 8.230 nan 0.000 0.438 287 P HA 0.221 nan 4.420 nan 0.000 0.288 287 P C -1.361 175.700 177.300 -0.399 0.000 1.267 287 P CA -0.426 62.260 63.100 -0.691 0.000 0.815 287 P CB 1.208 31.991 31.700 -1.528 0.000 0.989 288 E N 2.699 122.623 120.200 -0.460 0.000 2.216 288 E HA 0.340 4.690 4.350 -0.000 0.000 0.260 288 E C -1.433 174.919 176.600 -0.414 0.000 0.880 288 E CA -0.615 55.644 56.400 -0.235 0.000 0.765 288 E CB 0.603 30.216 29.700 -0.144 0.000 1.174 288 E HN 0.256 nan 8.360 nan 0.000 0.417 289 F N 3.266 123.279 119.950 0.106 0.000 2.434 289 F HA 0.169 4.696 4.527 -0.000 0.000 0.316 289 F C 0.463 176.496 175.800 0.388 0.000 1.222 289 F CA -0.790 57.386 58.000 0.292 0.000 1.207 289 F CB 0.438 39.697 39.000 0.432 0.000 1.466 289 F HN 0.411 nan 8.300 nan 0.000 0.545 290 D N 1.940 122.526 120.400 0.311 0.000 2.730 290 D HA -0.046 4.594 4.640 -0.000 0.000 0.225 290 D C 0.145 176.565 176.300 0.201 0.000 1.107 290 D CA 1.303 55.495 54.000 0.321 0.000 0.837 290 D CB 0.765 41.753 40.800 0.312 0.000 1.171 290 D HN 0.427 nan 8.370 nan 0.000 0.498 291 T N 2.942 117.627 114.554 0.217 0.000 2.886 291 T HA 0.377 4.727 4.350 -0.000 0.000 0.330 291 T C -2.522 172.320 174.700 0.238 0.000 1.488 291 T CA -1.019 61.134 62.100 0.089 0.000 1.054 291 T CB 1.889 70.835 68.868 0.130 0.000 1.348 291 T HN 0.153 nan 8.240 nan 0.000 0.489 292 P HA 0.254 nan 4.420 nan 0.000 0.251 292 P C 0.817 177.983 177.300 -0.225 0.000 1.223 292 P CA 0.122 63.110 63.100 -0.188 0.000 0.796 292 P CB -0.093 31.358 31.700 -0.415 0.000 1.068 293 G N -0.562 108.155 108.800 -0.138 0.000 2.562 293 G HA2 0.151 4.111 3.960 -0.000 0.000 0.275 293 G HA3 0.151 4.111 3.960 -0.000 0.000 0.275 293 G C -0.677 174.148 174.900 -0.125 0.000 1.196 293 G CA -0.303 44.653 45.100 -0.240 0.000 0.908 293 G HN 0.263 nan 8.290 nan 0.000 0.524 294 H N -1.635 117.366 119.070 -0.116 0.000 2.692 294 H HA -0.197 4.359 4.556 -0.000 0.000 0.316 294 H C 0.896 176.201 175.328 -0.038 0.000 1.176 294 H CA 1.040 57.067 56.048 -0.036 0.000 1.142 294 H CB -1.632 28.162 29.762 0.052 0.000 1.475 294 H HN 0.693 nan 8.280 nan 0.000 0.423 295 T N -3.172 111.326 114.554 -0.094 0.000 3.487 295 T HA 0.195 4.545 4.350 -0.000 0.000 0.287 295 T C 1.219 175.912 174.700 -0.011 0.000 1.004 295 T CA -0.558 61.388 62.100 -0.256 0.000 0.977 295 T CB 0.311 68.693 68.868 -0.810 0.000 1.180 295 T HN 0.228 nan 8.240 nan 0.000 0.490 296 L N 2.250 123.515 121.223 0.070 0.000 2.093 296 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 296 L C 2.465 179.383 176.870 0.081 0.000 1.085 296 L CA 2.433 57.295 54.840 0.037 0.000 0.755 296 L CB -0.942 41.133 42.059 0.028 0.000 0.904 296 L HN 0.643 nan 8.230 nan 0.000 0.435 297 S N -1.849 113.982 115.700 0.218 0.000 2.447 297 S HA -0.185 4.285 4.470 -0.000 0.000 0.233 297 S C 1.627 176.294 174.600 0.112 0.000 1.006 297 S CA 0.545 58.849 58.200 0.172 0.000 0.957 297 S CB -0.727 62.620 63.200 0.245 0.000 0.773 297 S HN 0.496 nan 8.310 nan 0.000 0.507 298 W N 2.427 123.663 121.300 -0.108 0.000 2.388 298 W HA 0.266 4.926 4.660 -0.000 0.000 0.294 298 W C 2.738 179.040 176.519 -0.362 0.000 1.212 298 W CA 0.308 57.484 57.345 -0.282 0.000 1.271 298 W CB -1.275 28.075 29.460 -0.183 0.000 1.126 298 W HN 0.417 nan 8.180 nan 0.000 0.535 299 G N 0.452 109.193 108.800 -0.099 0.000 2.432 299 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 299 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 299 G C 1.509 176.212 174.900 -0.328 0.000 1.135 299 G CA 0.936 45.849 45.100 -0.312 0.000 0.767 299 G HN 0.245 nan 8.290 nan 0.000 0.550 300 K N 0.162 120.413 120.400 -0.249 0.000 2.209 300 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 300 K C 2.609 179.092 176.600 -0.195 0.000 1.048 300 K CA 0.844 57.009 56.287 -0.203 0.000 0.940 300 K CB -0.117 32.299 32.500 -0.140 0.000 0.729 300 K HN 0.306 nan 8.250 nan 0.000 0.451 301 G N 0.582 109.237 108.800 -0.242 0.000 2.508 301 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.212 301 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.212 301 G C 0.288 175.047 174.900 -0.234 0.000 1.206 301 G CA -0.079 44.879 45.100 -0.237 0.000 0.822 301 G HN 0.145 nan 8.290 nan 0.000 0.550 302 Q N 0.803 120.398 119.800 -0.341 0.000 2.296 302 Q HA 0.343 4.683 4.340 -0.000 0.000 0.257 302 Q C 1.544 177.346 176.000 -0.330 0.000 0.942 302 Q CA -0.261 55.294 55.803 -0.414 0.000 0.939 302 Q CB 1.587 29.823 28.738 -0.836 0.000 1.198 302 Q HN 0.479 nan 8.270 nan 0.000 0.429 303 K N 2.403 122.666 120.400 -0.229 0.000 1.985 303 K HA -0.105 4.215 4.320 -0.000 0.000 0.210 303 K C -0.154 176.353 176.600 -0.156 0.000 1.047 303 K CA 1.525 57.710 56.287 -0.170 0.000 0.932 303 K CB 0.034 32.478 32.500 -0.093 0.000 0.716 303 K HN 0.420 nan 8.250 nan 0.000 0.439 304 D N 0.493 120.814 120.400 -0.131 0.000 2.706 304 D HA 0.074 4.714 4.640 -0.000 0.000 0.236 304 D C 0.873 177.100 176.300 -0.121 0.000 1.231 304 D CA -0.057 53.897 54.000 -0.077 0.000 0.828 304 D CB 0.737 41.521 40.800 -0.027 0.000 1.015 304 D HN 0.125 nan 8.370 nan 0.000 0.484 305 L N -0.329 120.765 121.223 -0.216 0.000 2.102 305 L HA 0.160 4.500 4.340 -0.000 0.000 0.202 305 L C 0.503 177.284 176.870 -0.148 0.000 1.076 305 L CA 1.124 55.811 54.840 -0.255 0.000 0.761 305 L CB 0.062 41.867 42.059 -0.424 0.000 0.921 305 L HN -0.051 nan 8.230 nan 0.000 0.444 306 L N -0.067 121.075 121.223 -0.135 0.000 2.421 306 L HA 0.248 4.588 4.340 -0.000 0.000 0.263 306 L C 0.141 177.099 176.870 0.147 0.000 1.122 306 L CA -0.561 54.259 54.840 -0.034 0.000 0.804 306 L CB 0.873 42.862 42.059 -0.117 0.000 1.150 306 L HN -0.046 nan 8.230 nan 0.000 0.457 307 T N 2.986 117.652 114.554 0.187 0.000 2.761 307 T HA 0.216 4.566 4.350 -0.000 0.000 0.296 307 T C -2.359 172.469 174.700 0.213 0.000 0.934 307 T CA -0.960 61.274 62.100 0.224 0.000 1.091 307 T CB 0.645 69.677 68.868 0.272 0.000 0.896 307 T HN 0.334 nan 8.240 nan 0.000 0.515 308 P HA 0.198 nan 4.420 nan 0.000 0.275 308 P C -0.423 176.782 177.300 -0.158 0.000 1.276 308 P CA -0.547 62.433 63.100 -0.199 0.000 0.782 308 P CB 0.000 31.581 31.700 -0.199 0.000 0.851 309 c N 5.165 123.610 118.600 -0.258 0.000 2.663 309 c HA 0.060 4.630 4.570 -0.000 0.000 0.379 309 c C 0.766 174.770 174.090 -0.144 0.000 1.255 309 c CA -0.058 56.190 56.329 -0.135 0.000 1.503 309 c CB -2.489 39.928 42.510 -0.155 0.000 2.187 309 c HN 0.478 nan 8.230 nan 0.000 0.580 310 Y N 3.466 123.708 120.300 -0.096 0.000 2.713 310 Y HA 0.213 4.763 4.550 -0.000 0.000 0.341 310 Y C 1.324 177.183 175.900 -0.068 0.000 1.167 310 Y CA 0.773 58.828 58.100 -0.076 0.000 1.503 310 Y CB 0.314 38.751 38.460 -0.038 0.000 1.199 310 Y HN 0.802 nan 8.280 nan 0.000 0.525 317 D N 1.867 122.223 120.400 -0.074 0.000 2.498 317 D HA 0.196 4.836 4.640 -0.000 0.000 0.229 317 D C 0.362 176.520 176.300 -0.236 0.000 1.188 317 D CA 0.195 54.094 54.000 -0.169 0.000 1.028 317 D CB 0.394 41.073 40.800 -0.203 0.000 1.087 317 D HN 0.532 nan 8.370 nan 0.000 0.510 318 S N 0.706 116.299 115.700 -0.178 0.000 2.569 318 S HA 0.232 4.702 4.470 -0.000 0.000 0.274 318 S C 0.096 174.524 174.600 -0.287 0.000 1.353 318 S CA -0.213 57.914 58.200 -0.121 0.000 1.023 318 S CB 0.604 63.755 63.200 -0.083 0.000 0.876 318 S HN 0.208 nan 8.310 nan 0.000 0.540 319 F N -0.348 119.551 119.950 -0.086 0.000 2.613 319 F HA 0.763 5.290 4.527 -0.000 0.000 0.342 319 F C 1.105 176.831 175.800 -0.124 0.000 1.066 319 F CA -0.202 57.742 58.000 -0.093 0.000 1.002 319 F CB 1.794 40.743 39.000 -0.085 0.000 1.319 319 F HN 0.917 nan 8.300 nan 0.000 0.495 320 G N -0.212 108.631 108.800 0.073 0.000 3.122 320 G HA2 0.645 4.605 3.960 -0.000 0.000 0.180 320 G HA3 0.645 4.605 3.960 -0.000 0.000 0.180 320 G C -2.893 171.906 174.900 -0.168 0.000 1.279 320 G CA -1.442 43.585 45.100 -0.122 0.000 0.987 320 G HN 0.294 nan 8.290 nan 0.000 0.589 321 P HA 0.269 nan 4.420 nan 0.000 0.277 321 P C -0.035 177.183 177.300 -0.136 0.000 1.276 321 P CA -0.512 62.386 63.100 -0.335 0.000 0.788 321 P CB 0.612 31.942 31.700 -0.616 0.000 1.114 322 I N 0.921 121.389 120.570 -0.170 0.000 2.668 322 I HA -0.062 4.108 4.170 -0.000 0.000 0.285 322 I C 1.067 177.194 176.117 0.017 0.000 1.168 322 I CA 0.145 61.358 61.300 -0.145 0.000 1.424 322 I CB -0.350 37.481 38.000 -0.282 0.000 1.377 322 I HN 0.308 nan 8.210 nan 0.000 0.560 323 N N 9.941 128.667 118.700 0.043 0.000 2.416 323 N HA 0.071 4.811 4.740 -0.000 0.000 0.271 323 N C -1.867 173.612 175.510 -0.053 0.000 1.245 323 N CA -1.593 51.502 53.050 0.074 0.000 0.940 323 N CB 0.653 39.172 38.487 0.054 0.000 1.175 323 N HN 0.278 nan 8.380 nan 0.000 0.483 324 P HA 0.116 nan 4.420 nan 0.000 0.258 324 P C 0.456 177.761 177.300 0.007 0.000 1.416 324 P CA 0.227 63.346 63.100 0.031 0.000 0.927 324 P CB 0.116 31.863 31.700 0.078 0.000 1.444 325 T N -3.421 111.010 114.554 -0.206 0.000 3.046 325 T HA 0.164 4.514 4.350 -0.000 0.000 0.242 325 T C 0.920 175.557 174.700 -0.106 0.000 1.018 325 T CA 0.028 61.850 62.100 -0.464 0.000 1.131 325 T CB -0.680 67.897 68.868 -0.486 0.000 0.904 325 T HN -0.066 nan 8.240 nan 0.000 0.459 326 L N 3.642 124.867 121.223 0.004 0.000 2.456 326 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 326 L C 1.750 178.734 176.870 0.190 0.000 1.189 326 L CA -0.240 54.647 54.840 0.078 0.000 0.846 326 L CB 0.506 42.593 42.059 0.046 0.000 1.111 326 L HN 0.488 nan 8.230 nan 0.000 0.475 327 N N -0.143 118.673 118.700 0.193 0.000 2.494 327 N HA -0.138 4.602 4.740 -0.000 0.000 0.182 327 N C 1.165 176.809 175.510 0.224 0.000 1.076 327 N CA 0.957 54.156 53.050 0.249 0.000 0.908 327 N CB -0.080 38.514 38.487 0.178 0.000 0.967 327 N HN 0.807 nan 8.380 nan 0.000 0.449 328 T N -2.988 111.659 114.554 0.155 0.000 3.055 328 T HA 0.013 4.363 4.350 -0.000 0.000 0.265 328 T C 1.793 176.573 174.700 0.133 0.000 1.111 328 T CA 0.894 63.074 62.100 0.133 0.000 1.118 328 T CB -0.191 68.725 68.868 0.078 0.000 0.909 328 T HN 0.034 nan 8.240 nan 0.000 0.501 329 T N 1.179 115.785 114.554 0.088 0.000 2.698 329 T HA 0.031 4.381 4.350 -0.000 0.000 0.260 329 T C 1.342 176.074 174.700 0.054 0.000 1.044 329 T CA 1.251 63.346 62.100 -0.010 0.000 1.149 329 T CB -0.521 68.217 68.868 -0.217 0.000 0.864 329 T HN 0.534 nan 8.240 nan 0.000 0.419 330 Y N 0.956 121.371 120.300 0.193 0.000 2.439 330 Y HA 0.056 4.606 4.550 -0.000 0.000 0.292 330 Y C 2.908 178.908 175.900 0.167 0.000 1.130 330 Y CA 0.485 58.679 58.100 0.157 0.000 1.254 330 Y CB -0.390 38.116 38.460 0.077 0.000 1.000 330 Y HN 0.166 nan 8.280 nan 0.000 0.554 331 S N -0.388 115.498 115.700 0.310 0.000 2.406 331 S HA -0.163 4.307 4.470 -0.000 0.000 0.228 331 S C 1.862 176.636 174.600 0.290 0.000 1.020 331 S CA 0.752 59.107 58.200 0.258 0.000 0.965 331 S CB -0.497 62.837 63.200 0.223 0.000 0.798 331 S HN 0.503 nan 8.310 nan 0.000 0.488 332 F N 1.858 121.889 119.950 0.135 0.000 2.187 332 F HA 0.189 4.716 4.527 -0.000 0.000 0.295 332 F C 1.652 177.544 175.800 0.153 0.000 1.091 332 F CA 1.118 59.165 58.000 0.078 0.000 1.308 332 F CB -0.337 38.588 39.000 -0.125 0.000 1.030 332 F HN 0.141 nan 8.300 nan 0.000 0.487 333 L N -0.095 121.222 121.223 0.156 0.000 2.083 333 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 333 L C 2.326 179.384 176.870 0.314 0.000 1.083 333 L CA 1.687 56.659 54.840 0.221 0.000 0.752 333 L CB -1.198 41.090 42.059 0.382 0.000 0.899 333 L HN 0.174 nan 8.230 nan 0.000 0.433 334 T N -1.253 113.446 114.554 0.242 0.000 2.708 334 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 334 T C 1.892 176.693 174.700 0.168 0.000 1.037 334 T CA 2.003 64.225 62.100 0.203 0.000 1.146 334 T CB -0.313 68.652 68.868 0.161 0.000 0.865 334 T HN 0.338 nan 8.240 nan 0.000 0.435 335 T N 1.538 116.190 114.554 0.163 0.000 2.867 335 T HA 0.028 4.377 4.350 -0.000 0.000 0.268 335 T C 1.525 176.300 174.700 0.125 0.000 1.057 335 T CA 0.692 62.876 62.100 0.141 0.000 1.136 335 T CB -0.408 68.589 68.868 0.214 0.000 0.874 335 T HN 0.344 nan 8.240 nan 0.000 0.466 336 F N 1.101 121.011 119.950 -0.066 0.000 2.084 336 F HA 0.042 4.569 4.527 -0.000 0.000 0.296 336 F C 1.583 177.199 175.800 -0.308 0.000 1.111 336 F CA 1.084 58.931 58.000 -0.256 0.000 1.224 336 F CB -0.389 38.185 39.000 -0.710 0.000 0.991 336 F HN 0.075 nan 8.300 nan 0.000 0.471 337 F N 0.473 120.394 119.950 -0.048 0.000 2.502 337 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 337 F C 2.280 177.989 175.800 -0.152 0.000 1.111 337 F CA 0.788 58.703 58.000 -0.142 0.000 1.445 337 F CB -0.574 38.431 39.000 0.009 0.000 1.081 337 F HN -0.112 nan 8.300 nan 0.000 0.558 338 K N 1.006 121.427 120.400 0.035 0.000 2.097 338 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 338 K C 2.075 178.627 176.600 -0.079 0.000 1.050 338 K CA 1.298 57.582 56.287 -0.005 0.000 0.938 338 K CB -0.281 32.222 32.500 0.004 0.000 0.718 338 K HN 0.381 nan 8.250 nan 0.000 0.442 339 E N 0.329 120.429 120.200 -0.168 0.000 2.072 339 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 339 E C 1.879 178.350 176.600 -0.215 0.000 0.985 339 E CA 0.760 57.038 56.400 -0.203 0.000 0.801 339 E CB 0.071 29.611 29.700 -0.266 0.000 0.750 339 E HN 0.099 nan 8.360 nan 0.000 0.452 340 I N 1.958 122.317 120.570 -0.352 0.000 2.264 340 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 340 I C 2.662 178.794 176.117 0.025 0.000 1.111 340 I CA 1.544 62.704 61.300 -0.233 0.000 1.382 340 I CB -1.605 36.117 38.000 -0.464 0.000 1.060 340 I HN 0.203 nan 8.210 nan 0.000 0.418 341 S N 0.184 115.880 115.700 -0.007 0.000 2.428 341 S HA -0.099 4.371 4.470 -0.000 0.000 0.230 341 S C 1.696 176.286 174.600 -0.016 0.000 1.014 341 S CA 0.630 58.839 58.200 0.015 0.000 0.957 341 S CB -0.337 62.865 63.200 0.003 0.000 0.784 341 S HN 0.535 nan 8.310 nan 0.000 0.499 342 E N 0.829 121.002 120.200 -0.044 0.000 2.122 342 E HA 0.017 4.367 4.350 -0.000 0.000 0.190 342 E C 2.051 178.597 176.600 -0.089 0.000 0.977 342 E CA 0.897 57.260 56.400 -0.062 0.000 0.820 342 E CB -0.162 29.498 29.700 -0.067 0.000 0.770 342 E HN 0.374 nan 8.360 nan 0.000 0.462 343 V N 0.808 120.658 119.914 -0.107 0.000 2.283 343 V HA -0.139 3.981 4.120 -0.000 0.000 0.243 343 V C 0.714 176.607 176.094 -0.334 0.000 1.039 343 V CA 1.196 63.359 62.300 -0.229 0.000 1.016 343 V CB -0.265 31.388 31.823 -0.283 0.000 0.650 343 V HN 0.082 nan 8.190 nan 0.000 0.449 344 F N 0.843 120.744 119.950 -0.082 0.000 2.404 344 F HA 0.347 4.874 4.527 -0.000 0.000 0.358 344 F C -1.375 174.326 175.800 -0.163 0.000 1.120 344 F CA -2.110 55.834 58.000 -0.093 0.000 1.144 344 F CB 0.653 39.628 39.000 -0.042 0.000 1.133 344 F HN 0.059 nan 8.300 nan 0.000 0.495 345 P HA -0.093 nan 4.420 nan 0.000 0.222 345 P C -0.014 177.162 177.300 -0.207 0.000 1.153 345 P CA 0.621 63.493 63.100 -0.379 0.000 0.798 345 P CB 0.114 31.113 31.700 -1.168 0.000 0.796 346 D N -0.607 119.749 120.400 -0.073 0.000 2.449 346 D HA -0.069 4.571 4.640 -0.000 0.000 0.236 346 D C 1.301 177.593 176.300 -0.014 0.000 1.149 346 D CA 0.495 54.502 54.000 0.011 0.000 0.878 346 D CB 0.572 41.426 40.800 0.090 0.000 1.198 346 D HN 0.056 nan 8.370 nan 0.000 0.446 347 Q N 1.010 120.788 119.800 -0.037 0.000 2.291 347 Q HA -0.018 4.321 4.340 -0.000 0.000 0.205 347 Q C -0.095 175.653 176.000 -0.421 0.000 0.970 347 Q CA 0.727 56.384 55.803 -0.243 0.000 0.876 347 Q CB 0.114 28.642 28.738 -0.349 0.000 0.935 347 Q HN 0.460 nan 8.270 nan 0.000 0.455 348 F N -0.211 119.725 119.950 -0.023 0.000 2.507 348 F HA 0.493 5.020 4.527 -0.000 0.000 0.327 348 F C -0.095 175.671 175.800 -0.057 0.000 1.068 348 F CA -0.986 56.987 58.000 -0.045 0.000 0.965 348 F CB 1.382 40.350 39.000 -0.053 0.000 1.192 348 F HN -0.205 nan 8.300 nan 0.000 0.476 349 I N 1.440 122.088 120.570 0.130 0.000 2.468 349 I HA 0.168 4.338 4.170 -0.000 0.000 0.285 349 I C -0.982 175.168 176.117 0.055 0.000 1.039 349 I CA -0.603 60.739 61.300 0.070 0.000 1.074 349 I CB 1.837 39.889 38.000 0.088 0.000 1.228 349 I HN 0.599 nan 8.210 nan 0.000 0.436 350 H N 6.055 125.087 119.070 -0.062 0.000 2.878 350 H HA 0.275 4.831 4.556 -0.000 0.000 0.290 350 H C 0.596 175.941 175.328 0.028 0.000 1.065 350 H CA 0.030 56.010 56.048 -0.113 0.000 1.477 350 H CB 0.978 30.572 29.762 -0.281 0.000 1.484 350 H HN 0.572 nan 8.280 nan 0.000 0.504 351 L N 4.202 125.456 121.223 0.053 0.000 2.446 351 L HA 0.178 4.518 4.340 -0.000 0.000 0.219 351 L C 1.862 178.922 176.870 0.317 0.000 1.116 351 L CA 0.540 55.490 54.840 0.185 0.000 0.844 351 L CB -0.343 41.729 42.059 0.022 0.000 0.970 351 L HN 1.032 nan 8.230 nan 0.000 0.457 352 G N 0.395 109.424 108.800 0.382 0.000 2.728 352 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.269 352 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.269 352 G C 0.766 176.026 174.900 0.601 0.000 1.334 352 G CA -0.078 45.388 45.100 0.609 0.000 0.974 352 G HN 0.853 nan 8.290 nan 0.000 0.550 353 G N 0.299 109.395 108.800 0.494 0.000 2.225 353 G HA2 0.213 4.173 3.960 -0.000 0.000 0.264 353 G HA3 0.213 4.173 3.960 -0.000 0.000 0.264 353 G C -0.064 175.078 174.900 0.404 0.000 1.060 353 G CA 1.387 46.726 45.100 0.398 0.000 0.833 353 G HN 2.137 nan 8.290 nan 0.000 0.498 354 D N -0.595 120.029 120.400 0.373 0.000 2.269 354 D HA 0.486 5.126 4.640 -0.000 0.000 0.244 354 D C 0.432 176.789 176.300 0.095 0.000 0.992 354 D CA -0.739 53.387 54.000 0.209 0.000 0.894 354 D CB 0.677 41.361 40.800 -0.194 0.000 1.248 354 D HN 0.407 nan 8.370 nan 0.000 0.468 355 E N -0.518 119.721 120.200 0.065 0.000 2.222 355 E HA -0.124 4.226 4.350 -0.000 0.000 0.189 355 E C -0.755 175.690 176.600 -0.259 0.000 1.415 355 E CA 0.129 56.486 56.400 -0.070 0.000 0.689 355 E CB -1.048 28.608 29.700 -0.074 0.000 1.107 355 E HN 0.287 nan 8.360 nan 0.000 0.350 356 V N 1.704 121.442 119.914 -0.294 0.000 2.368 356 V HA 0.089 4.209 4.120 -0.000 0.000 0.266 356 V C 0.672 176.249 176.094 -0.861 0.000 1.045 356 V CA -0.086 61.911 62.300 -0.505 0.000 0.899 356 V CB 1.194 32.809 31.823 -0.347 0.000 1.006 356 V HN 0.242 nan 8.190 nan 0.000 0.470 357 E N 3.977 123.739 120.200 -0.730 0.000 2.129 357 E HA 0.234 4.584 4.350 -0.000 0.000 0.283 357 E C -0.135 176.023 176.600 -0.737 0.000 1.080 357 E CA -0.176 55.822 56.400 -0.669 0.000 0.867 357 E CB 0.567 30.006 29.700 -0.435 0.000 1.056 357 E HN 0.633 nan 8.360 nan 0.000 0.404 358 F N 2.127 121.887 119.950 -0.315 0.000 2.661 358 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 358 F C 1.858 177.441 175.800 -0.362 0.000 1.137 358 F CA 0.119 57.922 58.000 -0.329 0.000 1.454 358 F CB -0.195 38.739 39.000 -0.111 0.000 1.103 358 F HN 0.286 nan 8.300 nan 0.000 0.577 359 K N 0.062 120.368 120.400 -0.156 0.000 2.097 359 K HA -0.297 4.023 4.320 -0.000 0.000 0.214 359 K C 2.316 178.832 176.600 -0.140 0.000 1.052 359 K CA 1.831 58.037 56.287 -0.135 0.000 0.932 359 K CB -1.462 30.958 32.500 -0.134 0.000 0.716 359 K HN 0.415 nan 8.250 nan 0.000 0.455 360 c N -0.139 118.345 118.600 -0.193 0.000 2.464 360 c HA -0.009 4.561 4.570 -0.000 0.000 0.278 360 c C 2.373 176.470 174.090 0.011 0.000 1.375 360 c CA -0.376 55.880 56.329 -0.122 0.000 1.761 360 c CB -1.115 41.290 42.510 -0.174 0.000 1.944 360 c HN 0.501 nan 8.230 nan 0.000 0.509 361 W N 1.291 122.511 121.300 -0.133 0.000 2.436 361 W HA 0.045 4.704 4.660 -0.000 0.000 0.284 361 W C 2.276 178.675 176.519 -0.199 0.000 1.225 361 W CA 0.759 58.030 57.345 -0.123 0.000 1.271 361 W CB -1.023 28.381 29.460 -0.093 0.000 1.114 361 W HN 0.545 nan 8.180 nan 0.000 0.559 362 E N -0.084 120.000 120.200 -0.194 0.000 2.152 362 E HA -0.118 4.231 4.350 -0.000 0.000 0.192 362 E C 1.898 178.533 176.600 0.058 0.000 0.983 362 E CA 1.554 57.877 56.400 -0.129 0.000 0.818 362 E CB -0.331 29.252 29.700 -0.195 0.000 0.758 362 E HN 0.086 nan 8.360 nan 0.000 0.467 363 S N 0.490 116.217 115.700 0.045 0.000 2.605 363 S HA 0.042 4.512 4.470 -0.000 0.000 0.217 363 S C 0.497 175.142 174.600 0.075 0.000 0.958 363 S CA -0.424 57.812 58.200 0.060 0.000 0.919 363 S CB 0.009 63.242 63.200 0.055 0.000 0.780 363 S HN -0.009 nan 8.310 nan 0.000 0.507 364 N N 2.341 121.101 118.700 0.100 0.000 2.469 364 N HA 0.372 5.111 4.740 -0.000 0.000 0.253 364 N C -2.297 173.216 175.510 0.004 0.000 0.970 364 N CA -2.114 50.979 53.050 0.073 0.000 0.940 364 N CB 1.905 40.500 38.487 0.180 0.000 1.128 364 N HN -0.074 nan 8.380 nan 0.000 0.503 365 P HA -0.118 nan 4.420 nan 0.000 0.214 365 P C 0.782 178.058 177.300 -0.040 0.000 1.163 365 P CA 1.658 64.691 63.100 -0.113 0.000 0.889 365 P CB 0.472 32.033 31.700 -0.232 0.000 0.790 366 K N -0.691 119.688 120.400 -0.035 0.000 2.152 366 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 366 K C 2.008 178.635 176.600 0.046 0.000 1.048 366 K CA 1.255 57.550 56.287 0.014 0.000 0.933 366 K CB -0.982 31.537 32.500 0.031 0.000 0.721 366 K HN 0.215 nan 8.250 nan 0.000 0.447 367 I N 0.381 120.985 120.570 0.058 0.000 2.406 367 I HA -0.230 3.940 4.170 -0.000 0.000 0.249 367 I C 2.041 178.224 176.117 0.110 0.000 1.122 367 I CA 0.912 62.256 61.300 0.074 0.000 1.431 367 I CB -0.280 37.776 38.000 0.094 0.000 1.087 367 I HN 0.190 nan 8.210 nan 0.000 0.424 368 Q N 0.863 120.728 119.800 0.107 0.000 2.181 368 Q HA -0.233 4.106 4.340 -0.000 0.000 0.205 368 Q C 1.594 177.604 176.000 0.017 0.000 0.980 368 Q CA 1.609 57.462 55.803 0.084 0.000 0.862 368 Q CB -0.134 28.647 28.738 0.071 0.000 0.905 368 Q HN 0.497 nan 8.270 nan 0.000 0.429 369 D N 0.021 120.432 120.400 0.017 0.000 2.117 369 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 369 D C 1.403 177.675 176.300 -0.048 0.000 0.982 369 D CA 0.797 54.788 54.000 -0.016 0.000 0.828 369 D CB -0.310 40.490 40.800 0.000 0.000 0.967 369 D HN 0.155 nan 8.370 nan 0.000 0.464 370 F N 0.940 120.791 119.950 -0.166 0.000 2.234 370 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 370 F C 2.202 177.760 175.800 -0.404 0.000 1.087 370 F CA 0.925 58.762 58.000 -0.273 0.000 1.340 370 F CB 0.006 38.846 39.000 -0.268 0.000 1.031 370 F HN -0.187 nan 8.300 nan 0.000 0.500 371 M N -0.134 119.372 119.600 -0.157 0.000 2.159 371 M HA -0.196 4.284 4.480 -0.000 0.000 0.263 371 M C 2.308 178.441 176.300 -0.278 0.000 1.063 371 M CA 1.634 56.777 55.300 -0.262 0.000 1.110 371 M CB -1.288 31.192 32.600 -0.201 0.000 1.374 371 M HN 0.202 nan 8.290 nan 0.000 0.411 372 R N 0.482 120.850 120.500 -0.221 0.000 2.075 372 R HA -0.085 4.255 4.340 -0.000 0.000 0.226 372 R C 1.932 178.082 176.300 -0.250 0.000 1.114 372 R CA 1.097 57.087 56.100 -0.184 0.000 0.972 372 R CB -0.123 30.103 30.300 -0.123 0.000 0.869 372 R HN 0.395 nan 8.270 nan 0.000 0.437 373 Q N -0.208 119.390 119.800 -0.336 0.000 2.508 373 Q HA -0.070 4.270 4.340 -0.000 0.000 0.214 373 Q C 0.690 176.395 176.000 -0.491 0.000 0.979 373 Q CA 0.830 56.405 55.803 -0.380 0.000 0.911 373 Q CB 0.364 28.855 28.738 -0.411 0.000 0.969 373 Q HN 0.107 nan 8.270 nan 0.000 0.504 374 K N -1.258 118.782 120.400 -0.600 0.000 2.438 374 K HA 0.157 4.477 4.320 -0.000 0.000 0.206 374 K C 0.420 176.919 176.600 -0.168 0.000 1.081 374 K CA 0.478 56.401 56.287 -0.607 0.000 1.053 374 K CB 1.377 33.073 32.500 -1.341 0.000 0.908 374 K HN 0.190 nan 8.250 nan 0.000 0.556 375 G N 2.093 110.829 108.800 -0.106 0.000 2.295 375 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.287 375 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.287 375 G C 0.314 175.344 174.900 0.217 0.000 1.055 375 G CA 0.073 45.194 45.100 0.034 0.000 0.922 375 G HN 0.200 nan 8.290 nan 0.000 0.503 376 F N 0.244 120.072 119.950 -0.205 0.000 2.656 376 F HA 0.383 4.910 4.527 -0.000 0.000 0.291 376 F C 2.262 177.923 175.800 -0.231 0.000 1.122 376 F CA 0.860 58.730 58.000 -0.217 0.000 1.427 376 F CB -0.338 38.502 39.000 -0.267 0.000 1.125 376 F HN 0.897 nan 8.300 nan 0.000 0.583 377 G N 0.804 109.588 108.800 -0.026 0.000 2.561 377 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.289 377 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.289 377 G C 0.828 175.625 174.900 -0.171 0.000 1.169 377 G CA 0.791 45.838 45.100 -0.088 0.000 0.980 377 G HN 0.460 nan 8.290 nan 0.000 0.550 378 T N -2.108 112.357 114.554 -0.148 0.000 3.174 378 T HA 0.451 4.801 4.350 -0.000 0.000 0.269 378 T C 0.067 174.663 174.700 -0.173 0.000 1.017 378 T CA 0.996 63.006 62.100 -0.150 0.000 0.899 378 T CB 0.610 69.487 68.868 0.015 0.000 1.077 378 T HN 0.590 nan 8.240 nan 0.000 0.552 379 D N 0.787 121.033 120.400 -0.257 0.000 2.428 379 D HA 0.304 4.944 4.640 -0.000 0.000 0.221 379 D C -0.116 175.986 176.300 -0.329 0.000 1.123 379 D CA -1.329 52.544 54.000 -0.210 0.000 0.869 379 D CB 0.010 40.703 40.800 -0.178 0.000 1.032 379 D HN 0.216 nan 8.370 nan 0.000 0.506 380 F N 1.936 121.734 119.950 -0.253 0.000 2.811 380 F HA 0.148 4.675 4.527 -0.000 0.000 0.301 380 F C 2.069 177.575 175.800 -0.489 0.000 1.151 380 F CA 0.202 57.998 58.000 -0.340 0.000 1.412 380 F CB 0.237 39.004 39.000 -0.389 0.000 1.113 380 F HN 0.251 nan 8.300 nan 0.000 0.579 381 K N 0.161 120.388 120.400 -0.289 0.000 2.366 381 K HA -0.060 4.260 4.320 -0.000 0.000 0.198 381 K C 1.672 178.260 176.600 -0.021 0.000 1.044 381 K CA 0.678 56.911 56.287 -0.090 0.000 0.973 381 K CB 0.029 32.508 32.500 -0.036 0.000 0.767 381 K HN 0.270 nan 8.250 nan 0.000 0.475 382 K N 0.382 120.690 120.400 -0.154 0.000 2.186 382 K HA -0.032 4.288 4.320 -0.000 0.000 0.202 382 K C 1.861 178.453 176.600 -0.014 0.000 1.052 382 K CA 0.381 56.476 56.287 -0.320 0.000 0.965 382 K CB 0.060 32.014 32.500 -0.910 0.000 0.746 382 K HN -0.019 nan 8.250 nan 0.000 0.457 383 L N 1.961 123.299 121.223 0.191 0.000 2.109 383 L HA -0.100 4.239 4.340 -0.000 0.000 0.207 383 L C 2.182 179.256 176.870 0.340 0.000 1.086 383 L CA 1.729 56.777 54.840 0.347 0.000 0.760 383 L CB -0.231 41.880 42.059 0.088 0.000 0.910 383 L HN 0.154 nan 8.230 nan 0.000 0.437 384 E N -1.282 119.162 120.200 0.407 0.000 2.107 384 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 384 E C 1.986 178.847 176.600 0.436 0.000 0.982 384 E CA 1.145 57.878 56.400 0.554 0.000 0.809 384 E CB 0.060 30.175 29.700 0.693 0.000 0.756 384 E HN 0.539 nan 8.360 nan 0.000 0.459 385 S N 0.299 116.188 115.700 0.314 0.000 2.383 385 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 385 S C 1.469 176.232 174.600 0.272 0.000 1.026 385 S CA 0.944 59.281 58.200 0.228 0.000 0.981 385 S CB -0.402 62.865 63.200 0.112 0.000 0.818 385 S HN 0.393 nan 8.310 nan 0.000 0.472 386 F N 1.510 121.601 119.950 0.235 0.000 2.102 386 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 386 F C 2.119 178.081 175.800 0.270 0.000 1.105 386 F CA 1.422 59.592 58.000 0.284 0.000 1.239 386 F CB -0.682 38.602 39.000 0.472 0.000 0.991 386 F HN 0.254 nan 8.300 nan 0.000 0.474 387 Y N 0.307 120.738 120.300 0.218 0.000 2.114 387 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 387 Y C 2.238 178.213 175.900 0.125 0.000 1.143 387 Y CA 2.029 60.242 58.100 0.188 0.000 1.135 387 Y CB -0.800 37.825 38.460 0.274 0.000 0.980 387 Y HN 0.134 nan 8.280 nan 0.000 0.499 388 I N 0.889 121.547 120.570 0.147 0.000 2.614 388 I HA -0.260 3.910 4.170 -0.000 0.000 0.258 388 I C 2.093 178.157 176.117 -0.090 0.000 1.189 388 I CA 1.445 62.749 61.300 0.008 0.000 1.462 388 I CB -0.562 37.547 38.000 0.182 0.000 1.092 388 I HN 0.411 nan 8.210 nan 0.000 0.442 389 Q N -0.211 119.541 119.800 -0.080 0.000 2.123 389 Q HA -0.168 4.172 4.340 -0.000 0.000 0.199 389 Q C 2.102 177.988 176.000 -0.190 0.000 0.966 389 Q CA 1.309 57.048 55.803 -0.107 0.000 0.845 389 Q CB -0.082 28.617 28.738 -0.066 0.000 0.907 389 Q HN 0.467 nan 8.270 nan 0.000 0.439 390 K N -0.084 120.132 120.400 -0.307 0.000 2.155 390 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 390 K C 2.014 178.485 176.600 -0.215 0.000 1.052 390 K CA 0.936 57.024 56.287 -0.331 0.000 0.948 390 K CB 0.138 32.276 32.500 -0.603 0.000 0.728 390 K HN 0.027 nan 8.250 nan 0.000 0.448 391 V N 1.818 121.578 119.914 -0.257 0.000 2.379 391 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 391 V C 2.180 178.124 176.094 -0.251 0.000 1.044 391 V CA 1.359 63.494 62.300 -0.275 0.000 1.036 391 V CB -0.365 31.210 31.823 -0.412 0.000 0.664 391 V HN 0.249 nan 8.190 nan 0.000 0.453 392 L N 0.129 121.232 121.223 -0.198 0.000 2.127 392 L HA -0.220 4.120 4.340 -0.000 0.000 0.211 392 L C 2.406 179.200 176.870 -0.127 0.000 1.089 392 L CA 1.791 56.540 54.840 -0.152 0.000 0.757 392 L CB -0.517 41.482 42.059 -0.101 0.000 0.899 392 L HN 0.418 nan 8.230 nan 0.000 0.434 393 D N 0.278 120.606 120.400 -0.120 0.000 2.162 393 D HA -0.113 4.527 4.640 -0.000 0.000 0.203 393 D C 2.268 178.516 176.300 -0.087 0.000 0.967 393 D CA 0.889 54.836 54.000 -0.090 0.000 0.840 393 D CB 0.160 40.909 40.800 -0.086 0.000 0.972 393 D HN 0.292 nan 8.370 nan 0.000 0.482 394 I N 0.989 121.498 120.570 -0.102 0.000 2.264 394 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 394 I C 2.200 178.263 176.117 -0.090 0.000 1.111 394 I CA 0.577 61.833 61.300 -0.073 0.000 1.382 394 I CB -0.103 37.864 38.000 -0.054 0.000 1.060 394 I HN 0.089 nan 8.210 nan 0.000 0.418 395 I N 0.902 121.379 120.570 -0.156 0.000 2.353 395 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 395 I C 2.790 178.850 176.117 -0.095 0.000 1.119 395 I CA 1.411 62.623 61.300 -0.146 0.000 1.417 395 I CB -1.605 36.273 38.000 -0.203 0.000 1.078 395 I HN 0.142 nan 8.210 nan 0.000 0.421 396 A N 0.459 123.227 122.820 -0.085 0.000 2.066 396 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 396 A C 2.323 179.878 177.584 -0.049 0.000 1.157 396 A CA 1.732 53.732 52.037 -0.063 0.000 0.670 396 A CB -0.882 18.089 19.000 -0.048 0.000 0.804 396 A HN 0.414 nan 8.150 nan 0.000 0.453 397 T N 0.246 114.774 114.554 -0.044 0.000 2.951 397 T HA 0.044 4.394 4.350 -0.000 0.000 0.268 397 T C 1.233 175.917 174.700 -0.026 0.000 1.073 397 T CA 1.056 63.139 62.100 -0.029 0.000 1.134 397 T CB -0.304 68.552 68.868 -0.020 0.000 0.884 397 T HN 0.486 nan 8.240 nan 0.000 0.479 398 I N 1.570 122.121 120.570 -0.031 0.000 3.812 398 I HA 0.132 4.302 4.170 -0.000 0.000 0.319 398 I C -0.213 175.877 176.117 -0.044 0.000 1.353 398 I CA -0.338 60.945 61.300 -0.028 0.000 1.170 398 I CB -0.653 37.336 38.000 -0.018 0.000 1.057 398 I HN 0.087 nan 8.210 nan 0.000 0.411 399 N N 2.684 121.354 118.700 -0.050 0.000 2.686 399 N HA -0.204 4.536 4.740 -0.000 0.000 0.261 399 N C -0.235 175.216 175.510 -0.099 0.000 1.001 399 N CA 1.047 54.058 53.050 -0.065 0.000 0.764 399 N CB -0.797 37.659 38.487 -0.050 0.000 0.898 399 N HN 0.407 nan 8.380 nan 0.000 0.544 400 K N -0.288 120.042 120.400 -0.117 0.000 2.422 400 K HA 0.639 4.959 4.320 -0.000 0.000 0.251 400 K C 0.493 176.965 176.600 -0.213 0.000 0.933 400 K CA -0.409 55.778 56.287 -0.167 0.000 0.798 400 K CB 1.594 34.029 32.500 -0.108 0.000 1.238 400 K HN 0.174 nan 8.250 nan 0.000 0.428 401 G N 0.526 109.083 108.800 -0.406 0.000 2.634 401 G HA2 0.390 4.350 3.960 -0.000 0.000 0.255 401 G HA3 0.390 4.350 3.960 -0.000 0.000 0.255 401 G C -0.894 174.001 174.900 -0.008 0.000 1.205 401 G CA -0.334 44.526 45.100 -0.400 0.000 0.884 401 G HN 0.445 nan 8.290 nan 0.000 0.549 402 S N -0.597 115.222 115.700 0.200 0.000 2.571 402 S HA 0.528 4.998 4.470 -0.000 0.000 0.284 402 S C -0.538 174.073 174.600 0.017 0.000 1.128 402 S CA -0.357 57.889 58.200 0.077 0.000 0.970 402 S CB 1.359 64.534 63.200 -0.041 0.000 1.039 402 S HN 0.485 nan 8.310 nan 0.000 0.485 403 I N 2.469 122.935 120.570 -0.172 0.000 2.530 403 I HA 0.713 4.883 4.170 -0.000 0.000 0.297 403 I C -0.653 174.992 176.117 -0.787 0.000 1.011 403 I CA -0.981 60.044 61.300 -0.460 0.000 1.107 403 I CB 1.895 39.581 38.000 -0.525 0.000 1.285 403 I HN 0.327 nan 8.210 nan 0.000 0.436 404 V N 5.262 124.782 119.914 -0.656 0.000 3.114 404 V HA 0.461 4.581 4.120 -0.000 0.000 0.308 404 V C -1.318 174.645 176.094 -0.218 0.000 1.168 404 V CA -0.536 61.485 62.300 -0.465 0.000 1.015 404 V CB 2.559 34.299 31.823 -0.138 0.000 1.050 404 V HN 0.716 nan 8.190 nan 0.000 0.433 405 W N 2.203 123.632 121.300 0.217 0.000 2.093 405 W HA 0.262 4.922 4.660 -0.000 0.000 0.352 405 W C 1.685 178.391 176.519 0.311 0.000 1.294 405 W CA 0.547 58.103 57.345 0.352 0.000 1.290 405 W CB 0.594 30.277 29.460 0.371 0.000 1.149 405 W HN 0.768 nan 8.180 nan 0.000 0.606 406 Q N -0.182 120.046 119.800 0.713 0.000 2.226 406 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 406 Q C 1.252 177.496 176.000 0.406 0.000 0.975 406 Q CA 1.812 57.885 55.803 0.450 0.000 0.866 406 Q CB -0.192 28.746 28.738 0.334 0.000 0.915 406 Q HN 0.552 nan 8.270 nan 0.000 0.440 407 E N 0.995 121.469 120.200 0.456 0.000 2.097 407 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 407 E C 2.026 178.806 176.600 0.301 0.000 1.000 407 E CA 1.767 58.377 56.400 0.350 0.000 0.804 407 E CB -0.255 29.661 29.700 0.360 0.000 0.740 407 E HN 0.232 nan 8.360 nan 0.000 0.454 408 V N 0.351 120.454 119.914 0.315 0.000 2.295 408 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 408 V C 1.954 178.170 176.094 0.203 0.000 1.049 408 V CA 1.903 64.352 62.300 0.248 0.000 1.024 408 V CB -0.479 31.474 31.823 0.218 0.000 0.648 408 V HN 0.275 nan 8.190 nan 0.000 0.447 409 F N 1.433 121.429 119.950 0.076 0.000 2.186 409 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 409 F C 2.046 177.887 175.800 0.068 0.000 1.090 409 F CA 1.736 59.753 58.000 0.028 0.000 1.307 409 F CB -0.256 38.747 39.000 0.004 0.000 1.019 409 F HN 0.220 nan 8.300 nan 0.000 0.489 410 D N -0.008 120.465 120.400 0.121 0.000 2.219 410 D HA -0.114 4.526 4.640 -0.000 0.000 0.205 410 D C 1.147 177.441 176.300 -0.011 0.000 0.970 410 D CA 1.101 55.120 54.000 0.031 0.000 0.851 410 D CB -0.427 40.454 40.800 0.135 0.000 0.943 410 D HN 0.338 nan 8.370 nan 0.000 0.488 411 D N 0.328 120.755 120.400 0.045 0.000 2.325 411 D HA 0.052 4.692 4.640 -0.000 0.000 0.234 411 D C 0.072 176.365 176.300 -0.012 0.000 1.122 411 D CA -0.007 54.029 54.000 0.060 0.000 0.850 411 D CB -0.017 40.885 40.800 0.170 0.000 0.921 411 D HN 0.115 nan 8.370 nan 0.000 0.513 412 K N -0.469 119.864 120.400 -0.113 0.000 3.125 412 K HA -0.178 4.142 4.320 -0.000 0.000 0.268 412 K C -0.127 176.429 176.600 -0.073 0.000 1.078 412 K CA 0.377 56.576 56.287 -0.146 0.000 0.775 412 K CB -1.595 30.837 32.500 -0.113 0.000 1.253 412 K HN 0.261 nan 8.250 nan 0.000 0.486 413 A N 1.282 124.081 122.820 -0.036 0.000 2.371 413 A HA 0.297 4.617 4.320 -0.000 0.000 0.257 413 A C 0.328 177.918 177.584 0.009 0.000 1.089 413 A CA -0.299 51.748 52.037 0.016 0.000 0.794 413 A CB 0.453 19.489 19.000 0.061 0.000 1.029 413 A HN 0.119 nan 8.150 nan 0.000 0.488 414 K N 2.851 123.269 120.400 0.030 0.000 2.278 414 K HA 0.281 4.601 4.320 -0.000 0.000 0.289 414 K C -0.395 176.231 176.600 0.044 0.000 1.080 414 K CA 0.433 56.752 56.287 0.053 0.000 0.934 414 K CB -0.025 32.508 32.500 0.056 0.000 1.093 414 K HN 0.577 nan 8.250 nan 0.000 0.459 415 L N 1.155 122.403 121.223 0.042 0.000 2.439 415 L HA 0.428 4.768 4.340 -0.000 0.000 0.259 415 L C 0.559 177.510 176.870 0.134 0.000 1.129 415 L CA -0.989 53.826 54.840 -0.042 0.000 0.803 415 L CB 0.974 42.745 42.059 -0.480 0.000 1.161 415 L HN 0.481 nan 8.230 nan 0.000 0.462 416 A N 1.889 124.775 122.820 0.110 0.000 2.260 416 A HA 0.573 4.893 4.320 -0.000 0.000 0.308 416 A C -2.342 175.420 177.584 0.297 0.000 1.254 416 A CA -1.622 50.514 52.037 0.166 0.000 0.874 416 A CB 0.054 19.098 19.000 0.072 0.000 1.153 416 A HN 0.393 nan 8.150 nan 0.000 0.527 417 P HA 0.088 nan 4.420 nan 0.000 0.255 417 P C 1.116 178.536 177.300 0.199 0.000 1.151 417 P CA 2.345 65.577 63.100 0.220 0.000 0.767 417 P CB 0.262 32.013 31.700 0.086 0.000 0.736 418 G N 1.852 110.806 108.800 0.256 0.000 2.231 418 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.206 418 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.206 418 G C 0.280 175.323 174.900 0.238 0.000 0.996 418 G CA -0.218 45.009 45.100 0.211 0.000 0.645 418 G HN 0.544 nan 8.290 nan 0.000 0.498 419 T N 2.301 117.003 114.554 0.247 0.000 2.867 419 T HA 0.442 4.792 4.350 -0.000 0.000 0.297 419 T C 0.842 175.556 174.700 0.022 0.000 0.989 419 T CA 0.428 62.581 62.100 0.088 0.000 1.159 419 T CB 0.714 69.545 68.868 -0.061 0.000 0.928 419 T HN 0.342 nan 8.240 nan 0.000 0.538 420 I N 3.637 124.161 120.570 -0.077 0.000 2.365 420 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 420 I C 0.066 176.047 176.117 -0.226 0.000 1.004 420 I CA -0.789 60.402 61.300 -0.182 0.000 1.311 420 I CB 1.073 38.864 38.000 -0.348 0.000 1.401 420 I HN 0.247 nan 8.210 nan 0.000 0.491 421 V N 5.757 125.553 119.914 -0.196 0.000 2.483 421 V HA 0.296 4.416 4.120 -0.000 0.000 0.295 421 V C -0.007 176.023 176.094 -0.105 0.000 1.035 421 V CA -0.646 61.559 62.300 -0.158 0.000 0.896 421 V CB 1.649 33.356 31.823 -0.192 0.000 0.986 421 V HN 0.725 nan 8.190 nan 0.000 0.447 422 E N 3.095 123.298 120.200 0.006 0.000 2.133 422 E HA 0.506 4.856 4.350 -0.000 0.000 0.274 422 E C -1.369 175.474 176.600 0.405 0.000 0.930 422 E CA -0.562 55.922 56.400 0.139 0.000 0.770 422 E CB 1.882 31.636 29.700 0.090 0.000 1.104 422 E HN 0.511 nan 8.360 nan 0.000 0.403 423 V N 7.281 127.370 119.914 0.291 0.000 2.385 423 V HA 0.098 4.218 4.120 -0.000 0.000 0.269 423 V C 0.619 176.939 176.094 0.376 0.000 1.043 423 V CA -0.241 62.222 62.300 0.272 0.000 0.906 423 V CB 0.235 32.123 31.823 0.109 0.000 0.995 423 V HN 0.822 nan 8.190 nan 0.000 0.467 424 W N 3.544 125.000 121.300 0.260 0.000 2.873 424 W HA 0.340 5.000 4.660 -0.000 0.000 0.282 424 W C 0.187 176.665 176.519 -0.068 0.000 1.118 424 W CA -0.657 56.808 57.345 0.200 0.000 1.480 424 W CB 0.143 29.733 29.460 0.217 0.000 0.954 424 W HN 0.314 nan 8.180 nan 0.000 0.591 425 K N 2.597 122.442 120.400 -0.924 0.000 2.379 425 K HA -0.028 4.292 4.320 -0.000 0.000 0.284 425 K C 0.310 176.682 176.600 -0.380 0.000 1.044 425 K CA 0.205 55.928 56.287 -0.940 0.000 0.974 425 K CB 1.180 33.132 32.500 -0.913 0.000 0.962 425 K HN -0.243 nan 8.250 nan 0.000 0.474 426 D N 1.128 121.343 120.400 -0.309 0.000 2.355 426 D HA -0.076 4.564 4.640 -0.000 0.000 0.218 426 D C 0.190 176.468 176.300 -0.036 0.000 1.004 426 D CA 0.493 54.440 54.000 -0.089 0.000 0.880 426 D CB 0.279 41.018 40.800 -0.102 0.000 0.911 426 D HN 0.290 nan 8.370 nan 0.000 0.528 427 S N 0.133 115.760 115.700 -0.121 0.000 3.065 427 S HA 0.429 4.899 4.470 -0.000 0.000 0.311 427 S C -0.004 174.553 174.600 -0.072 0.000 1.204 427 S CA 0.219 58.362 58.200 -0.096 0.000 1.040 427 S CB -1.058 62.069 63.200 -0.123 0.000 1.436 427 S HN 0.405 nan 8.310 nan 0.000 0.532 428 A N 3.858 126.633 122.820 -0.075 0.000 2.108 428 A HA -0.199 4.121 4.320 -0.000 0.000 0.270 428 A C 0.294 177.825 177.584 -0.089 0.000 1.390 428 A CA 1.141 53.106 52.037 -0.120 0.000 0.729 428 A CB -2.504 16.444 19.000 -0.086 0.000 1.185 428 A HN 1.537 nan 8.150 nan 0.000 0.318 429 Y N 0.204 120.452 120.300 -0.087 0.000 2.448 429 Y HA 0.303 4.853 4.550 -0.000 0.000 0.289 429 Y C -0.625 175.220 175.900 -0.093 0.000 1.114 429 Y CA 0.085 58.129 58.100 -0.093 0.000 1.235 429 Y CB -1.291 37.106 38.460 -0.104 0.000 1.045 429 Y HN 0.415 nan 8.280 nan 0.000 0.554 430 P HA -0.132 nan 4.420 nan 0.000 0.216 430 P C 1.348 178.626 177.300 -0.037 0.000 1.150 430 P CA 1.877 64.872 63.100 -0.174 0.000 0.837 430 P CB 0.116 31.687 31.700 -0.215 0.000 0.786 431 E N -0.441 119.736 120.200 -0.039 0.000 2.204 431 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 431 E C 1.933 178.555 176.600 0.036 0.000 0.989 431 E CA 0.934 57.346 56.400 0.021 0.000 0.824 431 E CB -0.276 29.429 29.700 0.007 0.000 0.756 431 E HN 0.307 nan 8.360 nan 0.000 0.477 432 E N 0.874 121.083 120.200 0.015 0.000 2.107 432 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 432 E C 2.091 178.674 176.600 -0.027 0.000 0.982 432 E CA 0.515 56.938 56.400 0.039 0.000 0.809 432 E CB -0.187 29.544 29.700 0.053 0.000 0.756 432 E HN 0.168 nan 8.360 nan 0.000 0.459 433 L N 0.054 121.188 121.223 -0.148 0.000 2.191 433 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 433 L C 2.346 179.049 176.870 -0.278 0.000 1.103 433 L CA 1.076 55.676 54.840 -0.400 0.000 0.769 433 L CB -0.295 41.135 42.059 -1.049 0.000 0.908 433 L HN 0.105 nan 8.230 nan 0.000 0.438 434 S N -0.430 115.258 115.700 -0.021 0.000 2.357 434 S HA -0.092 4.378 4.470 -0.000 0.000 0.221 434 S C 2.059 176.755 174.600 0.160 0.000 1.031 434 S CA 0.907 59.240 58.200 0.223 0.000 0.982 434 S CB -0.118 63.230 63.200 0.247 0.000 0.853 434 S HN 0.364 nan 8.310 nan 0.000 0.458 435 R N 0.582 121.168 120.500 0.143 0.000 2.081 435 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 435 R C 2.247 178.660 176.300 0.189 0.000 1.131 435 R CA 1.263 57.499 56.100 0.227 0.000 0.960 435 R CB -0.703 29.799 30.300 0.336 0.000 0.856 435 R HN 0.249 nan 8.270 nan 0.000 0.436 436 V N 0.978 120.844 119.914 -0.080 0.000 2.343 436 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 436 V C 2.479 178.535 176.094 -0.062 0.000 1.051 436 V CA 2.346 64.402 62.300 -0.407 0.000 1.036 436 V CB -0.802 30.744 31.823 -0.462 0.000 0.654 436 V HN 0.558 nan 8.190 nan 0.000 0.451 437 T N -1.528 113.044 114.554 0.031 0.000 3.035 437 T HA 0.052 4.402 4.350 -0.000 0.000 0.268 437 T C 1.797 176.556 174.700 0.099 0.000 1.109 437 T CA 1.082 63.242 62.100 0.100 0.000 1.119 437 T CB -0.181 68.812 68.868 0.209 0.000 0.900 437 T HN 0.443 nan 8.240 nan 0.000 0.503 438 A N 1.544 124.437 122.820 0.121 0.000 1.970 438 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 438 A C 2.524 180.167 177.584 0.098 0.000 1.170 438 A CA 1.196 53.302 52.037 0.115 0.000 0.645 438 A CB -0.647 18.438 19.000 0.142 0.000 0.816 438 A HN 0.495 nan 8.150 nan 0.000 0.447 439 S N -1.520 114.270 115.700 0.150 0.000 2.522 439 S HA 0.318 4.788 4.470 -0.000 0.000 0.227 439 S C 1.370 175.835 174.600 -0.226 0.000 0.986 439 S CA 0.865 59.143 58.200 0.131 0.000 0.929 439 S CB 0.056 63.586 63.200 0.550 0.000 0.769 439 S HN 1.597 nan 8.310 nan 0.000 0.529 440 G N 0.784 109.464 108.800 -0.200 0.000 2.131 440 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.223 440 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.223 440 G C -0.190 174.459 174.900 -0.419 0.000 0.990 440 G CA -0.520 44.397 45.100 -0.306 0.000 0.671 440 G HN 0.381 nan 8.290 nan 0.000 0.521 441 F N 0.784 120.726 119.950 -0.013 0.000 2.422 441 F HA 0.589 5.116 4.527 -0.000 0.000 0.333 441 F C -1.742 174.014 175.800 -0.074 0.000 1.095 441 F CA -2.796 55.174 58.000 -0.050 0.000 1.038 441 F CB 1.557 40.496 39.000 -0.101 0.000 1.156 441 F HN -0.176 nan 8.300 nan 0.000 0.483 442 P HA 0.173 nan 4.420 nan 0.000 0.271 442 P C -1.024 176.232 177.300 -0.072 0.000 1.218 442 P CA -0.128 62.976 63.100 0.007 0.000 0.780 442 P CB 1.218 32.900 31.700 -0.030 0.000 0.901 443 V N 4.100 123.934 119.914 -0.133 0.000 2.789 443 V HA 0.534 4.654 4.120 -0.000 0.000 0.311 443 V C -0.931 174.917 176.094 -0.411 0.000 1.073 443 V CA -0.905 61.273 62.300 -0.204 0.000 0.921 443 V CB 1.590 33.346 31.823 -0.111 0.000 1.009 443 V HN 0.312 nan 8.190 nan 0.000 0.426 444 I N 5.828 126.184 120.570 -0.355 0.000 2.530 444 I HA 0.482 4.652 4.170 -0.000 0.000 0.297 444 I C -1.144 174.866 176.117 -0.178 0.000 1.011 444 I CA -0.891 60.162 61.300 -0.412 0.000 1.107 444 I CB 1.946 39.719 38.000 -0.379 0.000 1.285 444 I HN 0.430 nan 8.210 nan 0.000 0.436 445 L N 5.251 126.402 121.223 -0.119 0.000 2.305 445 L HA 0.433 4.773 4.340 -0.000 0.000 0.284 445 L C 0.490 177.514 176.870 0.256 0.000 1.013 445 L CA 0.488 55.385 54.840 0.096 0.000 0.819 445 L CB 1.472 43.657 42.059 0.211 0.000 1.227 445 L HN 0.700 nan 8.230 nan 0.000 0.417 446 S N 2.328 118.193 115.700 0.275 0.000 2.787 446 S HA 0.263 4.733 4.470 -0.000 0.000 0.255 446 S C 1.385 176.239 174.600 0.424 0.000 1.051 446 S CA 0.198 58.671 58.200 0.456 0.000 1.124 446 S CB 0.181 63.716 63.200 0.558 0.000 1.104 446 S HN 0.644 nan 8.310 nan 0.000 0.623 447 A N 3.558 126.424 122.820 0.078 0.000 1.865 447 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 447 A C -0.140 177.341 177.584 -0.173 0.000 1.191 447 A CA 1.766 53.733 52.037 -0.117 0.000 0.623 447 A CB -1.695 17.084 19.000 -0.369 0.000 0.826 447 A HN 0.597 nan 8.150 nan 0.000 0.444 448 P HA 0.036 nan 4.420 nan 0.000 0.257 448 P C -0.625 176.591 177.300 -0.140 0.000 1.325 448 P CA 0.275 63.148 63.100 -0.377 0.000 0.850 448 P CB 0.003 31.277 31.700 -0.710 0.000 1.324 449 W N -0.295 121.181 121.300 0.294 0.000 1.380 449 W HA 0.271 4.931 4.660 -0.000 0.000 0.298 449 W C -0.739 175.905 176.519 0.208 0.000 0.837 449 W CA -0.698 56.775 57.345 0.214 0.000 2.343 449 W CB -0.353 29.173 29.460 0.110 0.000 2.070 449 W HN -0.104 nan 8.180 nan 0.000 0.500 450 Y N 1.582 122.050 120.300 0.281 0.000 2.714 450 Y HA 0.161 4.711 4.550 -0.000 0.000 0.333 450 Y C 1.548 177.553 175.900 0.174 0.000 1.220 450 Y CA -0.116 58.129 58.100 0.240 0.000 1.513 450 Y CB -0.077 38.546 38.460 0.271 0.000 1.435 450 Y HN -0.016 nan 8.280 nan 0.000 0.489 451 L N 0.880 122.129 121.223 0.044 0.000 2.265 451 L HA -0.199 4.140 4.340 -0.000 0.000 0.215 451 L C 1.955 178.877 176.870 0.086 0.000 1.117 451 L CA 1.123 55.938 54.840 -0.041 0.000 0.782 451 L CB -0.236 41.678 42.059 -0.243 0.000 0.914 451 L HN 0.517 nan 8.230 nan 0.000 0.441 452 D N 1.128 121.595 120.400 0.112 0.000 2.218 452 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 452 D C 1.073 177.504 176.300 0.219 0.000 0.976 452 D CA 0.751 54.849 54.000 0.163 0.000 0.853 452 D CB -0.390 40.541 40.800 0.218 0.000 0.939 452 D HN 0.311 nan 8.370 nan 0.000 0.481 453 L N 2.279 123.665 121.223 0.272 0.000 2.462 453 L HA 0.248 4.588 4.340 -0.000 0.000 0.283 453 L C 0.648 177.660 176.870 0.237 0.000 1.166 453 L CA -0.526 54.464 54.840 0.250 0.000 0.964 453 L CB -0.180 42.045 42.059 0.277 0.000 1.294 453 L HN 0.070 nan 8.230 nan 0.000 0.449 454 I N 0.487 121.164 120.570 0.179 0.000 2.677 454 I HA 0.749 4.919 4.170 -0.000 0.000 0.305 454 I C 0.326 176.530 176.117 0.146 0.000 0.988 454 I CA -0.230 61.172 61.300 0.170 0.000 1.260 454 I CB 1.795 39.872 38.000 0.129 0.000 1.410 454 I HN 0.525 nan 8.210 nan 0.000 0.523 455 S N 2.480 118.270 115.700 0.151 0.000 2.596 455 S HA 0.394 4.864 4.470 -0.000 0.000 0.270 455 S C -1.059 173.641 174.600 0.167 0.000 1.155 455 S CA -0.812 57.473 58.200 0.143 0.000 0.827 455 S CB 1.072 64.340 63.200 0.114 0.000 1.130 455 S HN 0.745 nan 8.310 nan 0.000 0.467 456 Y N 1.905 122.242 120.300 0.062 0.000 2.425 456 Y HA 0.510 5.060 4.550 -0.000 0.000 0.331 456 Y C 0.822 176.770 175.900 0.079 0.000 1.157 456 Y CA 1.879 60.019 58.100 0.068 0.000 1.372 456 Y CB -0.025 38.466 38.460 0.051 0.000 1.253 456 Y HN 1.611 nan 8.280 nan 0.000 0.536 457 G N 4.528 112.964 108.800 -0.606 0.000 2.447 457 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 457 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 457 G C -1.100 173.748 174.900 -0.086 0.000 1.261 457 G CA -0.658 44.186 45.100 -0.427 0.000 1.000 457 G HN 0.706 nan 8.290 nan 0.000 0.515 458 Q N 1.275 121.071 119.800 -0.008 0.000 3.027 458 Q HA 0.203 4.543 4.340 -0.000 0.000 0.260 458 Q C 0.746 176.706 176.000 -0.065 0.000 1.379 458 Q CA 0.290 56.168 55.803 0.125 0.000 1.038 458 Q CB 0.220 29.050 28.738 0.153 0.000 1.578 458 Q HN 0.628 nan 8.270 nan 0.000 0.571 459 D N 0.698 121.125 120.400 0.045 0.000 2.378 459 D HA -0.177 4.463 4.640 -0.000 0.000 0.227 459 D C 1.309 177.583 176.300 -0.043 0.000 1.012 459 D CA 0.096 54.056 54.000 -0.066 0.000 0.905 459 D CB -0.226 40.572 40.800 -0.004 0.000 0.895 459 D HN 0.684 nan 8.370 nan 0.000 0.532 460 W N 1.745 123.149 121.300 0.173 0.000 2.402 460 W HA -0.016 4.644 4.660 -0.000 0.000 0.286 460 W C 1.420 178.120 176.519 0.302 0.000 1.221 460 W CA 0.091 57.642 57.345 0.343 0.000 1.257 460 W CB -0.826 28.789 29.460 0.258 0.000 1.120 460 W HN -0.063 nan 8.180 nan 0.000 0.551 461 R N 1.209 121.202 120.500 -0.845 0.000 2.096 461 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 461 R C 2.380 178.573 176.300 -0.178 0.000 1.127 461 R CA 1.903 57.544 56.100 -0.765 0.000 0.968 461 R CB -0.515 29.255 30.300 -0.885 0.000 0.861 461 R HN 0.162 nan 8.270 nan 0.000 0.440 462 K N 0.218 120.483 120.400 -0.225 0.000 2.097 462 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 462 K C 1.359 177.952 176.600 -0.011 0.000 1.049 462 K CA 1.403 57.576 56.287 -0.190 0.000 0.933 462 K CB 0.022 32.297 32.500 -0.375 0.000 0.717 462 K HN 0.158 nan 8.250 nan 0.000 0.442 463 Y N -1.324 119.185 120.300 0.348 0.000 2.475 463 Y HA -0.083 4.467 4.550 -0.000 0.000 0.289 463 Y C 1.888 178.188 175.900 0.666 0.000 1.121 463 Y CA 0.515 58.973 58.100 0.596 0.000 1.257 463 Y CB -0.425 38.408 38.460 0.622 0.000 1.026 463 Y HN 0.165 nan 8.280 nan 0.000 0.555 464 Y N 0.986 121.589 120.300 0.505 0.000 2.365 464 Y HA 0.076 4.626 4.550 -0.000 0.000 0.293 464 Y C 1.284 177.379 175.900 0.325 0.000 1.119 464 Y CA 0.990 59.362 58.100 0.454 0.000 1.203 464 Y CB 0.077 38.820 38.460 0.471 0.000 1.026 464 Y HN -0.161 nan 8.280 nan 0.000 0.549 465 K N 0.906 121.500 120.400 0.323 0.000 2.790 465 K HA 0.181 4.501 4.320 -0.000 0.000 0.229 465 K C -0.887 175.803 176.600 0.150 0.000 1.040 465 K CA -0.082 56.317 56.287 0.186 0.000 1.211 465 K CB 0.061 32.637 32.500 0.128 0.000 1.002 465 K HN -0.023 nan 8.250 nan 0.000 0.479 466 V N 1.656 121.696 119.914 0.210 0.000 2.347 466 V HA 0.118 4.238 4.120 -0.000 0.000 0.280 466 V C -0.305 175.906 176.094 0.195 0.000 1.021 466 V CA -0.854 61.558 62.300 0.187 0.000 0.847 466 V CB 1.365 33.287 31.823 0.166 0.000 0.990 466 V HN 0.162 nan 8.190 nan 0.000 0.444 467 E N 8.801 129.080 120.200 0.132 0.000 2.046 467 E HA 0.376 4.726 4.350 -0.000 0.000 0.279 467 E C -1.623 175.050 176.600 0.121 0.000 0.989 467 E CA -2.192 54.285 56.400 0.128 0.000 0.798 467 E CB 1.555 31.302 29.700 0.078 0.000 1.086 467 E HN 0.337 nan 8.360 nan 0.000 0.399 468 P HA -0.114 nan 4.420 nan 0.000 0.219 468 P C 0.767 177.982 177.300 -0.142 0.000 1.150 468 P CA 0.842 63.941 63.100 -0.001 0.000 0.814 468 P CB 0.304 32.022 31.700 0.030 0.000 0.787 469 L N -0.113 121.081 121.223 -0.049 0.000 2.660 469 L HA 0.103 4.443 4.340 -0.000 0.000 0.238 469 L C 0.064 176.894 176.870 -0.068 0.000 1.161 469 L CA 0.177 54.989 54.840 -0.047 0.000 0.937 469 L CB -0.648 41.384 42.059 -0.044 0.000 1.122 469 L HN -0.209 nan 8.230 nan 0.000 0.435 470 D N 1.577 122.027 120.400 0.083 0.000 2.494 470 D HA 0.362 5.001 4.640 -0.000 0.000 0.217 470 D C -0.414 175.984 176.300 0.164 0.000 1.153 470 D CA 0.244 54.266 54.000 0.037 0.000 0.954 470 D CB 0.097 40.913 40.800 0.027 0.000 1.034 470 D HN 0.063 nan 8.370 nan 0.000 0.518 471 F N -1.890 118.016 119.950 -0.074 0.000 2.773 471 F HA 0.569 5.096 4.527 -0.000 0.000 0.314 471 F C 0.074 175.852 175.800 -0.036 0.000 1.160 471 F CA -1.723 56.240 58.000 -0.061 0.000 0.920 471 F CB 0.488 39.460 39.000 -0.046 0.000 1.323 471 F HN 0.018 nan 8.300 nan 0.000 0.457 472 G N 0.226 109.087 108.800 0.100 0.000 2.365 472 G HA2 0.540 4.500 3.960 -0.000 0.000 0.249 472 G HA3 0.540 4.500 3.960 -0.000 0.000 0.249 472 G C -0.096 174.795 174.900 -0.014 0.000 1.288 472 G CA 0.207 45.310 45.100 0.006 0.000 0.887 472 G HN 1.811 nan 8.290 nan 0.000 0.524 473 G N 0.561 109.293 108.800 -0.114 0.000 2.339 473 G HA2 0.566 4.526 3.960 -0.000 0.000 0.302 473 G HA3 0.566 4.526 3.960 -0.000 0.000 0.302 473 G C -0.295 174.533 174.900 -0.119 0.000 1.425 473 G CA 0.055 45.106 45.100 -0.081 0.000 0.899 473 G HN 1.252 nan 8.290 nan 0.000 0.619 474 T N -1.866 112.654 114.554 -0.056 0.000 2.884 474 T HA 0.536 4.886 4.350 -0.000 0.000 0.277 474 T C 1.263 175.934 174.700 -0.047 0.000 0.976 474 T CA 0.011 62.080 62.100 -0.052 0.000 0.956 474 T CB 1.582 70.438 68.868 -0.021 0.000 1.113 474 T HN 0.393 nan 8.240 nan 0.000 0.554 475 Q N 0.020 119.799 119.800 -0.035 0.000 2.084 475 Q HA -0.016 4.324 4.340 -0.000 0.000 0.202 475 Q C 2.182 178.189 176.000 0.012 0.000 0.978 475 Q CA 1.337 57.129 55.803 -0.018 0.000 0.844 475 Q CB -0.298 28.430 28.738 -0.018 0.000 0.898 475 Q HN 0.622 nan 8.270 nan 0.000 0.426 476 K N 0.356 120.764 120.400 0.012 0.000 2.280 476 K HA -0.180 4.139 4.320 -0.000 0.000 0.202 476 K C 1.686 178.313 176.600 0.046 0.000 1.047 476 K CA 1.340 57.642 56.287 0.025 0.000 0.942 476 K CB 0.140 32.650 32.500 0.016 0.000 0.739 476 K HN 0.351 nan 8.250 nan 0.000 0.457 477 Q N -0.291 119.540 119.800 0.052 0.000 2.349 477 Q HA 0.003 4.343 4.340 -0.000 0.000 0.209 477 Q C 1.219 177.318 176.000 0.165 0.000 0.920 477 Q CA 0.483 56.345 55.803 0.098 0.000 0.901 477 Q CB 0.368 29.162 28.738 0.092 0.000 1.021 477 Q HN -0.040 nan 8.270 nan 0.000 0.519 478 K N 0.421 120.884 120.400 0.106 0.000 2.504 478 K HA -0.063 4.257 4.320 -0.000 0.000 0.195 478 K C 1.377 178.117 176.600 0.233 0.000 1.036 478 K CA 0.596 56.978 56.287 0.159 0.000 0.984 478 K CB 0.169 32.659 32.500 -0.016 0.000 0.788 478 K HN 0.195 nan 8.250 nan 0.000 0.488 479 Q N -0.325 119.576 119.800 0.168 0.000 2.425 479 Q HA 0.111 4.451 4.340 -0.000 0.000 0.204 479 Q C 0.987 177.092 176.000 0.176 0.000 0.933 479 Q CA 0.340 56.236 55.803 0.155 0.000 0.939 479 Q CB 0.285 29.077 28.738 0.089 0.000 1.044 479 Q HN 0.271 nan 8.270 nan 0.000 0.513 480 L N -0.359 120.983 121.223 0.197 0.000 2.509 480 L HA 0.108 4.448 4.340 -0.000 0.000 0.222 480 L C 0.353 177.334 176.870 0.186 0.000 1.123 480 L CA -0.271 54.663 54.840 0.157 0.000 0.856 480 L CB 0.129 42.262 42.059 0.123 0.000 0.985 480 L HN 0.177 nan 8.230 nan 0.000 0.456 481 F N 2.271 122.313 119.950 0.154 0.000 2.494 481 F HA 0.104 4.631 4.527 -0.000 0.000 0.351 481 F C 1.409 177.310 175.800 0.168 0.000 1.205 481 F CA -0.371 57.713 58.000 0.141 0.000 1.125 481 F CB 0.324 39.476 39.000 0.253 0.000 1.268 481 F HN -0.018 nan 8.300 nan 0.000 0.593 482 I N 2.372 122.824 120.570 -0.196 0.000 2.876 482 I HA 0.451 4.621 4.170 -0.000 0.000 0.264 482 I C 1.021 177.095 176.117 -0.071 0.000 1.204 482 I CA 0.682 61.951 61.300 -0.051 0.000 1.485 482 I CB -0.529 37.406 38.000 -0.108 0.000 1.103 482 I HN 0.597 nan 8.210 nan 0.000 0.446 483 G N 0.032 108.478 108.800 -0.590 0.000 2.367 483 G HA2 0.465 4.425 3.960 -0.000 0.000 0.272 483 G HA3 0.465 4.425 3.960 -0.000 0.000 0.272 483 G C -1.164 173.424 174.900 -0.520 0.000 1.271 483 G CA -0.266 44.536 45.100 -0.498 0.000 0.893 483 G HN 0.504 nan 8.290 nan 0.000 0.485 484 G N -1.291 107.469 108.800 -0.067 0.000 2.708 484 G HA2 0.710 4.670 3.960 -0.000 0.000 0.289 484 G HA3 0.710 4.670 3.960 -0.000 0.000 0.289 484 G C -1.726 173.335 174.900 0.268 0.000 1.416 484 G CA -0.353 44.853 45.100 0.177 0.000 0.829 484 G HN 0.594 nan 8.290 nan 0.000 0.480 485 E N -0.905 119.501 120.200 0.342 0.000 2.308 485 E HA 0.544 4.894 4.350 -0.000 0.000 0.275 485 E C -0.731 176.010 176.600 0.235 0.000 0.890 485 E CA -0.924 55.633 56.400 0.262 0.000 0.754 485 E CB 2.537 32.393 29.700 0.260 0.000 1.207 485 E HN 0.688 nan 8.360 nan 0.000 0.426 486 A N 2.257 125.105 122.820 0.048 0.000 2.269 486 A HA 0.411 4.731 4.320 -0.000 0.000 0.302 486 A C -0.369 177.095 177.584 -0.201 0.000 1.266 486 A CA -0.473 51.529 52.037 -0.058 0.000 0.894 486 A CB -0.043 18.818 19.000 -0.231 0.000 1.147 486 A HN 0.651 nan 8.150 nan 0.000 0.537 487 C N 2.592 121.756 119.300 -0.228 0.000 2.330 487 C HA 0.549 5.009 4.460 -0.000 0.000 0.344 487 C C 0.258 174.966 174.990 -0.470 0.000 1.273 487 C CA -0.267 58.440 59.018 -0.518 0.000 1.879 487 C CB 0.250 27.519 27.740 -0.785 0.000 2.376 487 C HN 0.797 nan 8.230 nan 0.000 0.534 488 L N 4.103 125.003 121.223 -0.538 0.000 2.495 488 L HA 0.453 4.793 4.340 -0.000 0.000 0.248 488 L C -0.738 175.939 176.870 -0.321 0.000 1.229 488 L CA -0.073 54.566 54.840 -0.335 0.000 0.942 488 L CB -0.197 41.676 42.059 -0.310 0.000 1.242 488 L HN 0.779 nan 8.230 nan 0.000 0.484 489 W N 1.827 122.984 121.300 -0.239 0.000 2.148 489 W HA 0.368 5.028 4.660 -0.000 0.000 0.347 489 W C 1.532 177.991 176.519 -0.099 0.000 1.288 489 W CA 0.347 57.564 57.345 -0.214 0.000 1.252 489 W CB 0.674 29.989 29.460 -0.242 0.000 1.156 489 W HN 0.588 nan 8.180 nan 0.000 0.580 490 G N 1.099 110.002 108.800 0.172 0.000 3.518 490 G HA2 0.022 3.982 3.960 -0.000 0.000 0.273 490 G HA3 0.022 3.982 3.960 -0.000 0.000 0.273 490 G C 0.874 175.901 174.900 0.212 0.000 1.199 490 G CA -0.213 44.993 45.100 0.176 0.000 0.899 490 G HN 0.483 nan 8.290 nan 0.000 0.533 491 E N 0.124 120.369 120.200 0.074 0.000 2.085 491 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 491 E C 0.299 176.701 176.600 -0.330 0.000 0.994 491 E CA 1.212 57.488 56.400 -0.206 0.000 0.801 491 E CB -0.108 29.354 29.700 -0.396 0.000 0.743 491 E HN 0.630 nan 8.360 nan 0.000 0.453 492 Y N -1.266 119.145 120.300 0.184 0.000 2.698 492 Y HA 0.384 4.934 4.550 -0.000 0.000 0.261 492 Y C -0.798 175.107 175.900 0.008 0.000 1.104 492 Y CA -0.526 57.642 58.100 0.113 0.000 1.145 492 Y CB 0.913 39.422 38.460 0.082 0.000 1.191 492 Y HN -0.263 nan 8.280 nan 0.000 0.564 493 V N 1.545 121.502 119.914 0.072 0.000 2.686 493 V HA 0.525 4.644 4.120 -0.000 0.000 0.306 493 V C -0.826 175.174 176.094 -0.155 0.000 1.065 493 V CA -0.665 61.618 62.300 -0.028 0.000 0.894 493 V CB 2.199 34.036 31.823 0.024 0.000 1.004 493 V HN 0.363 nan 8.190 nan 0.000 0.424 494 D N 3.767 124.057 120.400 -0.184 0.000 3.009 494 D HA 0.488 5.128 4.640 -0.000 0.000 0.318 494 D C 0.966 177.224 176.300 -0.069 0.000 1.273 494 D CA 0.084 54.006 54.000 -0.130 0.000 1.001 494 D CB 1.330 41.995 40.800 -0.226 0.000 1.411 494 D HN 0.496 nan 8.370 nan 0.000 0.577 495 A N -0.646 122.149 122.820 -0.042 0.000 2.131 495 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 495 A C 1.863 179.431 177.584 -0.027 0.000 1.158 495 A CA 2.768 54.785 52.037 -0.033 0.000 0.665 495 A CB -1.362 17.623 19.000 -0.024 0.000 0.795 495 A HN 0.707 nan 8.150 nan 0.000 0.460 496 T N -1.611 112.923 114.554 -0.034 0.000 2.985 496 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 496 T C 1.167 175.857 174.700 -0.016 0.000 1.076 496 T CA 1.214 63.301 62.100 -0.022 0.000 1.135 496 T CB -0.261 68.593 68.868 -0.023 0.000 0.890 496 T HN 0.646 nan 8.240 nan 0.000 0.480 497 N N 0.037 118.722 118.700 -0.024 0.000 2.118 497 N HA 0.201 4.941 4.740 -0.000 0.000 0.226 497 N C 1.361 176.862 175.510 -0.015 0.000 1.305 497 N CA -0.194 52.849 53.050 -0.011 0.000 0.890 497 N CB -0.469 38.015 38.487 -0.005 0.000 1.118 497 N HN 0.386 nan 8.380 nan 0.000 0.511 498 L N 1.256 122.462 121.223 -0.028 0.000 1.955 498 L HA -0.171 4.169 4.340 -0.000 0.000 0.213 498 L C 1.750 178.602 176.870 -0.030 0.000 1.072 498 L CA 2.110 56.924 54.840 -0.044 0.000 0.755 498 L CB -0.797 41.231 42.059 -0.052 0.000 0.888 498 L HN 0.088 nan 8.230 nan 0.000 0.432 499 T N 0.260 114.832 114.554 0.030 0.000 2.635 499 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 499 T C -0.570 174.210 174.700 0.133 0.000 1.040 499 T CA 1.966 64.149 62.100 0.138 0.000 1.156 499 T CB -1.390 67.559 68.868 0.134 0.000 0.863 499 T HN 0.354 nan 8.240 nan 0.000 0.430 500 P HA -0.027 nan 4.420 nan 0.000 0.216 500 P C 1.474 178.791 177.300 0.028 0.000 1.153 500 P CA 1.063 64.196 63.100 0.054 0.000 0.848 500 P CB -0.048 31.672 31.700 0.033 0.000 0.787 501 R N -0.611 119.887 120.500 -0.004 0.000 2.148 501 R HA 0.015 4.354 4.340 -0.000 0.000 0.223 501 R C 2.114 178.349 176.300 -0.109 0.000 1.088 501 R CA 0.731 56.817 56.100 -0.024 0.000 0.985 501 R CB -0.637 29.653 30.300 -0.016 0.000 0.880 501 R HN 0.184 nan 8.270 nan 0.000 0.451 502 L N -0.473 120.618 121.223 -0.220 0.000 2.168 502 L HA 0.090 4.430 4.340 -0.000 0.000 0.203 502 L C -0.164 176.303 176.870 -0.672 0.000 1.078 502 L CA 0.552 55.060 54.840 -0.554 0.000 0.780 502 L CB 0.156 41.735 42.059 -0.800 0.000 0.939 502 L HN 0.125 nan 8.230 nan 0.000 0.451 503 W N -0.320 120.943 121.300 -0.060 0.000 2.627 503 W HA 0.358 5.018 4.660 -0.000 0.000 0.339 503 W C -1.873 174.601 176.519 -0.075 0.000 1.058 503 W CA -1.732 55.572 57.345 -0.067 0.000 1.223 503 W CB 0.250 29.662 29.460 -0.080 0.000 1.389 503 W HN -0.166 nan 8.180 nan 0.000 0.541 504 P HA 0.122 nan 4.420 nan 0.000 0.236 504 P C 0.837 178.193 177.300 0.093 0.000 1.749 504 P CA -0.065 63.114 63.100 0.131 0.000 0.994 504 P CB 0.326 31.950 31.700 -0.126 0.000 1.599 505 R N 0.737 121.281 120.500 0.074 0.000 2.062 505 R HA -0.021 4.319 4.340 -0.000 0.000 0.231 505 R C 2.049 178.402 176.300 0.088 0.000 1.136 505 R CA 1.707 57.882 56.100 0.125 0.000 0.948 505 R CB -1.476 28.844 30.300 0.032 0.000 0.845 505 R HN 0.209 nan 8.270 nan 0.000 0.430 506 A N 0.912 123.645 122.820 -0.145 0.000 2.121 506 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 506 A C 2.233 180.012 177.584 0.325 0.000 1.154 506 A CA 1.242 53.183 52.037 -0.160 0.000 0.679 506 A CB -0.302 18.239 19.000 -0.765 0.000 0.795 506 A HN 0.237 nan 8.150 nan 0.000 0.458 507 S N 0.171 116.157 115.700 0.478 0.000 2.382 507 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 507 S C 2.268 177.400 174.600 0.886 0.000 1.027 507 S CA 1.147 59.784 58.200 0.728 0.000 0.991 507 S CB -0.396 63.002 63.200 0.329 0.000 0.823 507 S HN 0.815 nan 8.310 nan 0.000 0.469 508 A N 1.077 124.333 122.820 0.726 0.000 1.933 508 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 508 A C 2.274 180.193 177.584 0.558 0.000 1.175 508 A CA 1.439 54.020 52.037 0.908 0.000 0.628 508 A CB -0.716 18.862 19.000 0.963 0.000 0.814 508 A HN 0.374 nan 8.150 nan 0.000 0.444 509 V N -0.276 119.802 119.914 0.273 0.000 2.548 509 V HA -0.090 4.030 4.120 -0.000 0.000 0.249 509 V C 2.742 178.794 176.094 -0.069 0.000 1.055 509 V CA 1.532 63.727 62.300 -0.173 0.000 1.065 509 V CB -1.401 30.135 31.823 -0.478 0.000 0.681 509 V HN 0.577 nan 8.190 nan 0.000 0.462 510 G N 0.038 108.946 108.800 0.180 0.000 2.433 510 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.216 510 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.216 510 G C 1.522 176.366 174.900 -0.092 0.000 1.186 510 G CA 1.014 46.022 45.100 -0.154 0.000 0.779 510 G HN 0.576 nan 8.290 nan 0.000 0.543 511 E N -0.048 120.133 120.200 -0.033 0.000 2.106 511 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 511 E C 2.495 179.064 176.600 -0.051 0.000 0.984 511 E CA 0.895 57.158 56.400 -0.228 0.000 0.806 511 E CB -0.059 29.225 29.700 -0.692 0.000 0.750 511 E HN 0.248 nan 8.360 nan 0.000 0.458 512 R N 0.506 121.003 120.500 -0.004 0.000 2.115 512 R HA -0.014 4.326 4.340 -0.000 0.000 0.230 512 R C 1.995 178.400 176.300 0.175 0.000 1.111 512 R CA 1.235 57.358 56.100 0.038 0.000 0.976 512 R CB -0.374 29.985 30.300 0.098 0.000 0.870 512 R HN 0.300 nan 8.270 nan 0.000 0.445 513 L N -0.986 120.312 121.223 0.126 0.000 2.418 513 L HA 0.009 4.348 4.340 -0.000 0.000 0.218 513 L C 1.954 179.004 176.870 0.300 0.000 1.125 513 L CA 0.263 55.275 54.840 0.287 0.000 0.835 513 L CB -0.245 41.842 42.059 0.047 0.000 0.953 513 L HN 0.357 nan 8.230 nan 0.000 0.454 514 W N 0.217 121.500 121.300 -0.029 0.000 2.846 514 W HA 0.156 4.816 4.660 -0.000 0.000 0.273 514 W C 0.921 177.388 176.519 -0.087 0.000 1.081 514 W CA 0.098 57.400 57.345 -0.071 0.000 1.692 514 W CB 0.056 29.439 29.460 -0.128 0.000 1.106 514 W HN -0.140 nan 8.180 nan 0.000 0.577 515 S N 1.737 117.566 115.700 0.214 0.000 2.589 515 S HA 0.081 4.551 4.470 -0.000 0.000 0.265 515 S C 0.505 175.088 174.600 -0.029 0.000 1.342 515 S CA -0.011 58.242 58.200 0.089 0.000 1.005 515 S CB 0.995 64.220 63.200 0.041 0.000 0.909 515 S HN 0.222 nan 8.310 nan 0.000 0.555 516 S N 1.072 116.741 115.700 -0.051 0.000 2.589 516 S HA 0.165 4.635 4.470 -0.000 0.000 0.265 516 S C 1.098 175.679 174.600 -0.031 0.000 1.342 516 S CA -0.616 57.541 58.200 -0.072 0.000 1.005 516 S CB 0.422 63.581 63.200 -0.068 0.000 0.909 516 S HN 0.788 nan 8.310 nan 0.000 0.555 517 K N 0.996 121.379 120.400 -0.029 0.000 2.063 517 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 517 K C 1.233 177.838 176.600 0.007 0.000 1.048 517 K CA 1.957 58.246 56.287 0.004 0.000 0.928 517 K CB -0.549 31.952 32.500 0.003 0.000 0.713 517 K HN 0.869 nan 8.250 nan 0.000 0.442 518 D N 0.449 120.851 120.400 0.003 0.000 2.378 518 D HA -0.064 4.576 4.640 -0.000 0.000 0.227 518 D C 0.205 176.527 176.300 0.035 0.000 1.012 518 D CA 0.133 54.143 54.000 0.016 0.000 0.905 518 D CB -0.113 40.692 40.800 0.009 0.000 0.895 518 D HN -0.045 nan 8.370 nan 0.000 0.532 519 V N 1.830 121.765 119.914 0.035 0.000 2.352 519 V HA 0.142 4.262 4.120 -0.000 0.000 0.253 519 V C 1.183 177.345 176.094 0.114 0.000 1.083 519 V CA -0.083 62.259 62.300 0.070 0.000 0.993 519 V CB 0.485 32.340 31.823 0.053 0.000 1.111 519 V HN 0.084 nan 8.190 nan 0.000 0.490 520 R N 1.257 121.853 120.500 0.161 0.000 2.568 520 R HA 0.140 4.480 4.340 -0.000 0.000 0.254 520 R C 0.322 176.792 176.300 0.282 0.000 0.925 520 R CA -0.333 55.898 56.100 0.219 0.000 1.025 520 R CB 0.206 30.583 30.300 0.129 0.000 1.428 520 R HN 0.696 nan 8.270 nan 0.000 0.573 521 D N 1.771 122.300 120.400 0.214 0.000 2.570 521 D HA -0.101 4.539 4.640 -0.000 0.000 0.243 521 D C 1.270 177.697 176.300 0.211 0.000 1.171 521 D CA 0.342 54.448 54.000 0.177 0.000 0.879 521 D CB 0.770 41.653 40.800 0.138 0.000 1.143 521 D HN -0.143 nan 8.370 nan 0.000 0.511 522 M N 2.658 122.358 119.600 0.167 0.000 2.288 522 M HA -0.077 4.403 4.480 -0.000 0.000 0.266 522 M C 1.206 177.603 176.300 0.160 0.000 1.072 522 M CA 0.881 56.265 55.300 0.139 0.000 1.132 522 M CB -0.479 32.162 32.600 0.068 0.000 1.386 522 M HN 0.361 nan 8.290 nan 0.000 0.432 523 D N 0.489 120.964 120.400 0.126 0.000 2.149 523 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 523 D C 1.624 178.035 176.300 0.185 0.000 0.972 523 D CA 1.151 55.229 54.000 0.131 0.000 0.835 523 D CB -0.197 40.646 40.800 0.072 0.000 0.966 523 D HN 0.313 nan 8.370 nan 0.000 0.476 524 D N -0.034 120.464 120.400 0.163 0.000 2.183 524 D HA 0.004 4.644 4.640 -0.000 0.000 0.203 524 D C 1.905 178.324 176.300 0.199 0.000 0.969 524 D CA 1.036 55.132 54.000 0.159 0.000 0.842 524 D CB 0.030 40.913 40.800 0.138 0.000 0.957 524 D HN 0.065 nan 8.370 nan 0.000 0.484 525 A N -0.512 122.445 122.820 0.229 0.000 1.902 525 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 525 A C 2.219 179.927 177.584 0.206 0.000 1.181 525 A CA 1.424 53.613 52.037 0.254 0.000 0.623 525 A CB -1.257 17.758 19.000 0.026 0.000 0.818 525 A HN 0.476 nan 8.150 nan 0.000 0.443 526 Y N 0.743 121.150 120.300 0.178 0.000 2.181 526 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 526 Y C 2.103 177.978 175.900 -0.041 0.000 1.146 526 Y CA 2.106 60.252 58.100 0.078 0.000 1.164 526 Y CB -0.215 38.354 38.460 0.181 0.000 0.982 526 Y HN 0.412 nan 8.280 nan 0.000 0.515 527 D N -0.141 120.317 120.400 0.098 0.000 2.097 527 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 527 D C 1.999 178.241 176.300 -0.097 0.000 0.984 527 D CA 1.494 55.488 54.000 -0.009 0.000 0.826 527 D CB -0.132 40.719 40.800 0.085 0.000 0.973 527 D HN 0.334 nan 8.370 nan 0.000 0.460 528 R N -0.652 119.845 120.500 -0.005 0.000 2.276 528 R HA 0.014 4.354 4.340 -0.000 0.000 0.203 528 R C 1.725 177.958 176.300 -0.111 0.000 1.017 528 R CA 0.156 56.281 56.100 0.041 0.000 1.010 528 R CB 0.058 30.500 30.300 0.237 0.000 0.900 528 R HN 0.211 nan 8.270 nan 0.000 0.469 529 L N 0.262 121.254 121.223 -0.385 0.000 2.298 529 L HA -0.017 4.323 4.340 -0.000 0.000 0.209 529 L C 2.203 178.703 176.870 -0.616 0.000 1.084 529 L CA 1.586 55.948 54.840 -0.797 0.000 0.816 529 L CB -0.276 41.070 42.059 -1.188 0.000 0.967 529 L HN 0.119 nan 8.230 nan 0.000 0.460 530 T N -2.854 111.356 114.554 -0.573 0.000 2.777 530 T HA -0.188 4.162 4.350 -0.000 0.000 0.266 530 T C 2.047 176.539 174.700 -0.346 0.000 1.040 530 T CA 1.255 63.061 62.100 -0.490 0.000 1.141 530 T CB -0.427 68.107 68.868 -0.556 0.000 0.868 530 T HN 0.250 nan 8.240 nan 0.000 0.444 531 R N -0.011 120.321 120.500 -0.281 0.000 2.148 531 R HA 0.047 4.387 4.340 -0.000 0.000 0.227 531 R C 2.639 178.833 176.300 -0.177 0.000 1.103 531 R CA 1.197 57.171 56.100 -0.210 0.000 0.983 531 R CB -0.461 29.743 30.300 -0.160 0.000 0.874 531 R HN 0.624 nan 8.270 nan 0.000 0.451 532 H N 0.335 119.225 119.070 -0.300 0.000 2.482 532 H HA 0.065 4.621 4.556 -0.000 0.000 0.286 532 H C 1.982 177.106 175.328 -0.340 0.000 1.017 532 H CA 0.583 56.451 56.048 -0.301 0.000 1.322 532 H CB 0.370 29.925 29.762 -0.344 0.000 1.426 532 H HN -0.001 nan 8.280 nan 0.000 0.546 533 R N 0.760 121.023 120.500 -0.395 0.000 2.090 533 R HA -0.068 4.272 4.340 -0.000 0.000 0.228 533 R C 2.110 178.212 176.300 -0.329 0.000 1.110 533 R CA 1.170 57.039 56.100 -0.384 0.000 0.973 533 R CB -0.967 29.130 30.300 -0.337 0.000 0.869 533 R HN 0.350 nan 8.270 nan 0.000 0.440 534 c N 0.298 118.723 118.600 -0.292 0.000 2.435 534 c HA 0.046 4.616 4.570 -0.000 0.000 0.279 534 c C 2.824 176.757 174.090 -0.262 0.000 1.321 534 c CA 0.683 56.864 56.329 -0.246 0.000 1.752 534 c CB -1.032 41.341 42.510 -0.229 0.000 1.959 534 c HN 0.520 nan 8.230 nan 0.000 0.500 535 R N 0.645 120.953 120.500 -0.320 0.000 2.075 535 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 535 R C 2.195 178.224 176.300 -0.452 0.000 1.126 535 R CA 1.528 57.417 56.100 -0.351 0.000 0.963 535 R CB -0.251 29.837 30.300 -0.353 0.000 0.858 535 R HN 0.462 nan 8.270 nan 0.000 0.435 536 M N -0.189 119.088 119.600 -0.538 0.000 2.117 536 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 536 M C 2.173 178.270 176.300 -0.338 0.000 1.065 536 M CA 1.394 56.379 55.300 -0.524 0.000 1.114 536 M CB -0.089 32.219 32.600 -0.487 0.000 1.361 536 M HN 0.054 nan 8.290 nan 0.000 0.408 537 V N 0.435 120.192 119.914 -0.260 0.000 2.407 537 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 537 V C 2.308 178.315 176.094 -0.145 0.000 1.055 537 V CA 1.641 63.840 62.300 -0.169 0.000 1.049 537 V CB -0.766 30.972 31.823 -0.140 0.000 0.662 537 V HN 0.429 nan 8.190 nan 0.000 0.455 538 E N 0.575 120.673 120.200 -0.170 0.000 2.160 538 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 538 E C 1.976 178.514 176.600 -0.104 0.000 0.991 538 E CA 0.973 57.299 56.400 -0.124 0.000 0.810 538 E CB -0.241 29.380 29.700 -0.132 0.000 0.742 538 E HN 0.594 nan 8.360 nan 0.000 0.466 539 R N -0.255 120.139 120.500 -0.176 0.000 2.480 539 R HA 0.191 4.531 4.340 -0.000 0.000 0.277 539 R C 0.793 177.075 176.300 -0.030 0.000 1.008 539 R CA 0.436 56.468 56.100 -0.114 0.000 1.090 539 R CB 0.389 30.442 30.300 -0.411 0.000 1.234 539 R HN 0.174 nan 8.270 nan 0.000 0.549 540 G N 1.253 110.024 108.800 -0.048 0.000 2.147 540 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 540 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 540 G C 0.008 174.890 174.900 -0.031 0.000 1.005 540 G CA -0.344 44.745 45.100 -0.018 0.000 0.713 540 G HN 0.201 nan 8.290 nan 0.000 0.515 541 I N 1.109 121.630 120.570 -0.083 0.000 2.330 541 I HA 0.541 4.711 4.170 -0.000 0.000 0.289 541 I C 0.961 177.028 176.117 -0.084 0.000 1.001 541 I CA -0.810 60.430 61.300 -0.100 0.000 1.193 541 I CB 1.063 38.943 38.000 -0.200 0.000 1.345 541 I HN 0.304 nan 8.210 nan 0.000 0.461 542 A N 6.314 129.117 122.820 -0.028 0.000 3.026 542 A HA 0.543 4.863 4.320 -0.000 0.000 0.272 542 A C 0.767 178.367 177.584 0.025 0.000 1.782 542 A CA -0.326 51.706 52.037 -0.008 0.000 1.451 542 A CB -0.604 18.400 19.000 0.007 0.000 1.081 542 A HN 0.759 nan 8.150 nan 0.000 0.611 543 A N 2.294 125.112 122.820 -0.003 0.000 2.328 543 A HA 0.526 4.846 4.320 -0.000 0.000 0.284 543 A C 0.531 178.114 177.584 -0.002 0.000 1.160 543 A CA -0.626 51.434 52.037 0.039 0.000 0.818 543 A CB 0.192 19.192 19.000 -0.000 0.000 1.087 543 A HN 0.886 nan 8.150 nan 0.000 0.504 544 Q N 3.108 122.921 119.800 0.021 0.000 2.421 544 Q HA 0.404 4.744 4.340 -0.000 0.000 0.255 544 Q C -2.409 173.577 176.000 -0.023 0.000 1.013 544 Q CA -1.538 54.269 55.803 0.006 0.000 0.895 544 Q CB 0.264 29.020 28.738 0.028 0.000 1.271 544 Q HN 0.465 nan 8.270 nan 0.000 0.460 545 P HA 0.012 nan 4.420 nan 0.000 0.274 545 P C 0.048 177.344 177.300 -0.006 0.000 1.231 545 P CA -0.151 62.926 63.100 -0.037 0.000 0.790 545 P CB 0.946 32.635 31.700 -0.019 0.000 0.951 546 L N 0.748 121.952 121.223 -0.031 0.000 2.127 546 L HA 0.056 4.396 4.340 -0.000 0.000 0.203 546 L C 0.893 177.939 176.870 0.293 0.000 1.080 546 L CA 1.534 56.409 54.840 0.057 0.000 0.768 546 L CB -0.290 41.687 42.059 -0.136 0.000 0.924 546 L HN 0.429 nan 8.230 nan 0.000 0.444 547 Y N -1.593 118.759 120.300 0.088 0.000 2.764 547 Y HA 0.549 5.099 4.550 -0.000 0.000 0.331 547 Y C -0.615 175.340 175.900 0.092 0.000 1.280 547 Y CA -1.469 56.712 58.100 0.134 0.000 1.065 547 Y CB 0.960 39.579 38.460 0.264 0.000 1.319 547 Y HN -0.154 nan 8.280 nan 0.000 0.453 548 A N 1.486 123.993 122.820 -0.522 0.000 2.540 548 A HA 0.503 4.823 4.320 -0.000 0.000 0.239 548 A C 0.585 178.165 177.584 -0.007 0.000 1.061 548 A CA 1.482 53.345 52.037 -0.290 0.000 0.758 548 A CB -1.032 17.706 19.000 -0.436 0.000 0.991 548 A HN 1.806 nan 8.150 nan 0.000 0.502 549 G N 0.219 109.043 108.800 0.040 0.000 2.398 549 G HA2 0.552 4.512 3.960 -0.000 0.000 0.251 549 G HA3 0.552 4.512 3.960 -0.000 0.000 0.251 549 G C -0.969 174.062 174.900 0.218 0.000 1.277 549 G CA 0.228 45.417 45.100 0.148 0.000 0.927 549 G HN 2.268 nan 8.290 nan 0.000 0.477 550 Y N -2.016 118.263 120.300 -0.034 0.000 2.713 550 Y HA 0.785 5.335 4.550 -0.000 0.000 0.335 550 Y C -0.476 175.390 175.900 -0.057 0.000 1.222 550 Y CA -1.695 56.378 58.100 -0.045 0.000 1.061 550 Y CB 0.520 38.958 38.460 -0.037 0.000 1.314 550 Y HN 0.892 nan 8.280 nan 0.000 0.453 551 c N 2.117 120.616 118.600 -0.169 0.000 2.505 551 c HA 0.792 5.361 4.570 -0.000 0.000 0.358 551 c C -0.624 173.364 174.090 -0.170 0.000 1.226 551 c CA -0.331 55.837 56.329 -0.269 0.000 1.900 551 c CB 0.925 43.340 42.510 -0.158 0.000 2.306 551 c HN 1.037 nan 8.230 nan 0.000 0.512 552 N N 0.000 118.600 118.700 -0.167 0.000 1.763 552 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 552 N CA 0.000 53.008 53.050 -0.070 0.000 0.885 552 N CB 0.000 38.496 38.487 0.016 0.000 1.341 552 N HN 0.000 nan 8.380 nan 0.000 0.667