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 3ita_1_A DATA FIRST_RESID 5 DATA SEQUENCE TVEAPSVDAR AWILMDYASG KVLAEGNADE KLDPASLTKI MTSYVVGQAL DATA SEQUENCE KADKIKLTDM VTVGKDAWAT GNPALRGSSV MFLKPGDQVS VADLNKGVII DATA SEQUENCE QSGNDACIAL ADYVAGSQES FIGLMNGYAK KLGLTNTTFQ TVHGLDAPGQ DATA SEQUENCE FSTARDMALL GKALIHDVPE EYAIHKEKEF TFNKIRQPNR NRLLWSSNLN DATA SEQUENCE VDGMKTGTTA GAGYNLVASA TQGDMRLISV VLGAKTDRIR FNESEKLLTW DATA SEQUENCE GFRFFETVTP IKPDATFVTQ RVWFGDKSEV NLGAGEAGSV TIPRGQLKNL DATA SEQUENCE KASYTLTEPQ LTAPLKKGQV VGTIDFQLNG KSIEQRPLIV MENVEEGG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.754 174.700 0.091 0.000 1.109 5 T CA 0.000 62.166 62.100 0.110 0.000 1.349 5 T CB 0.000 68.911 68.868 0.072 0.000 0.612 6 V N 1.836 121.819 119.914 0.114 0.000 2.572 6 V HA 0.240 4.352 4.120 -0.014 0.000 0.291 6 V C 0.966 177.201 176.094 0.236 0.000 1.039 6 V CA -0.263 62.071 62.300 0.056 0.000 1.055 6 V CB 0.893 32.609 31.823 -0.179 0.000 0.969 6 V HN 0.702 nan 8.190 nan 0.000 0.482 7 E N 4.064 124.342 120.200 0.130 0.000 2.417 7 E HA 0.343 4.685 4.350 -0.014 0.000 0.261 7 E C 0.312 177.009 176.600 0.163 0.000 1.000 7 E CA 0.125 56.596 56.400 0.118 0.000 0.919 7 E CB 0.694 30.417 29.700 0.038 0.000 0.955 7 E HN 0.874 nan 8.360 nan 0.000 0.455 8 A N 6.181 129.028 122.820 0.045 0.000 2.462 8 A HA 0.314 4.625 4.320 -0.014 0.000 0.243 8 A C -1.972 175.345 177.584 -0.445 0.000 1.076 8 A CA -1.059 50.781 52.037 -0.328 0.000 0.773 8 A CB -0.275 18.624 19.000 -0.168 0.000 1.010 8 A HN 0.664 nan 8.150 nan 0.000 0.493 9 P HA 0.145 nan 4.420 nan 0.000 0.274 9 P C -0.063 177.026 177.300 -0.352 0.000 1.237 9 P CA -0.256 62.520 63.100 -0.540 0.000 0.793 9 P CB 0.745 32.043 31.700 -0.670 0.000 0.977 10 S N 0.262 115.805 115.700 -0.262 0.000 2.548 10 S HA 0.296 4.757 4.470 -0.014 0.000 0.277 10 S C -0.318 174.025 174.600 -0.427 0.000 1.315 10 S CA -0.464 57.583 58.200 -0.255 0.000 1.050 10 S CB -0.203 62.903 63.200 -0.156 0.000 0.918 10 S HN 0.220 nan 8.310 nan 0.000 0.497 11 V N 4.610 124.112 119.914 -0.687 0.000 2.531 11 V HA 0.292 4.404 4.120 -0.014 0.000 0.301 11 V C -0.302 175.425 176.094 -0.612 0.000 1.034 11 V CA -0.845 60.912 62.300 -0.904 0.000 0.865 11 V CB 1.880 32.536 31.823 -1.944 0.000 0.995 11 V HN 0.853 nan 8.190 nan 0.000 0.424 12 D N 4.020 124.212 120.400 -0.347 0.000 2.713 12 D HA 0.590 5.221 4.640 -0.014 0.000 0.229 12 D C 0.016 176.246 176.300 -0.117 0.000 1.136 12 D CA 0.438 54.331 54.000 -0.177 0.000 1.010 12 D CB 0.302 41.034 40.800 -0.114 0.000 1.084 12 D HN 0.808 nan 8.370 nan 0.000 0.495 13 A N 1.927 124.693 122.820 -0.089 0.000 2.599 13 A HA 0.450 4.761 4.320 -0.014 0.000 0.290 13 A C 0.974 178.670 177.584 0.186 0.000 1.101 13 A CA -0.648 51.416 52.037 0.046 0.000 0.674 13 A CB 1.201 20.233 19.000 0.054 0.000 1.277 13 A HN 0.128 nan 8.150 nan 0.000 0.419 14 R N -0.278 120.326 120.500 0.172 0.000 2.066 14 R HA 0.177 4.509 4.340 -0.014 0.000 0.232 14 R C 0.731 177.165 176.300 0.223 0.000 1.131 14 R CA 1.733 57.933 56.100 0.167 0.000 0.955 14 R CB -0.343 30.014 30.300 0.095 0.000 0.851 14 R HN 1.072 nan 8.270 nan 0.000 0.432 15 A N -0.163 122.819 122.820 0.269 0.000 2.572 15 A HA 0.586 4.897 4.320 -0.014 0.000 0.295 15 A C -1.848 175.953 177.584 0.361 0.000 1.072 15 A CA -0.724 51.411 52.037 0.164 0.000 0.691 15 A CB 1.022 20.032 19.000 0.015 0.000 1.291 15 A HN 0.356 nan 8.150 nan 0.000 0.404 16 W N 0.076 121.362 121.300 -0.023 0.000 3.066 16 W HA 0.816 5.464 4.660 -0.020 0.000 0.330 16 W C -1.910 174.594 176.519 -0.025 0.000 1.253 16 W CA -0.800 56.532 57.345 -0.021 0.000 1.187 16 W CB 0.897 30.339 29.460 -0.030 0.000 1.434 16 W HN 0.788 nan 8.180 nan 0.000 0.572 17 I N 2.339 123.018 120.570 0.181 0.000 2.841 17 I HA 0.594 4.755 4.170 -0.014 0.000 0.298 17 I C -2.018 174.186 176.117 0.145 0.000 1.304 17 I CA -1.278 60.067 61.300 0.075 0.000 1.019 17 I CB 2.138 40.125 38.000 -0.021 0.000 1.282 17 I HN 0.658 nan 8.210 nan 0.000 0.432 18 L N 7.879 129.176 121.223 0.123 0.000 2.376 18 L HA 0.683 5.014 4.340 -0.014 0.000 0.275 18 L C -1.438 175.451 176.870 0.032 0.000 0.987 18 L CA -0.166 54.733 54.840 0.098 0.000 0.828 18 L CB 1.525 43.679 42.059 0.158 0.000 1.249 18 L HN 0.701 nan 8.230 nan 0.000 0.409 19 M N 3.808 123.412 119.600 0.006 0.000 2.327 19 M HA 0.380 4.852 4.480 -0.014 0.000 0.298 19 M C -1.424 174.864 176.300 -0.020 0.000 1.065 19 M CA -0.624 54.666 55.300 -0.018 0.000 0.916 19 M CB 1.871 34.468 32.600 -0.006 0.000 1.630 19 M HN 0.776 nan 8.290 nan 0.000 0.442 20 D N 1.999 122.373 120.400 -0.044 0.000 2.351 20 D HA 0.035 4.666 4.640 -0.014 0.000 0.251 20 D C 0.471 176.793 176.300 0.036 0.000 1.137 20 D CA 0.218 54.211 54.000 -0.013 0.000 0.879 20 D CB 0.781 41.553 40.800 -0.047 0.000 1.181 20 D HN 0.541 nan 8.370 nan 0.000 0.448 21 Y N 4.302 124.580 120.300 -0.037 0.000 2.181 21 Y HA -0.117 4.399 4.550 -0.058 0.000 0.288 21 Y C 1.800 177.680 175.900 -0.034 0.000 1.146 21 Y CA 1.966 60.046 58.100 -0.033 0.000 1.164 21 Y CB -0.217 38.234 38.460 -0.015 0.000 0.982 21 Y HN 0.496 nan 8.280 nan 0.000 0.515 22 A N -0.762 122.012 122.820 -0.076 0.000 1.935 22 A HA -0.042 4.269 4.320 -0.014 0.000 0.214 22 A C 2.320 179.794 177.584 -0.183 0.000 1.178 22 A CA 1.551 53.471 52.037 -0.194 0.000 0.640 22 A CB -1.010 17.976 19.000 -0.022 0.000 0.825 22 A HN 0.525 nan 8.150 nan 0.000 0.447 23 S N -2.428 113.196 115.700 -0.126 0.000 2.503 23 S HA 0.379 4.841 4.470 -0.014 0.000 0.215 23 S C 1.530 176.055 174.600 -0.126 0.000 1.003 23 S CA 1.168 59.289 58.200 -0.131 0.000 0.910 23 S CB -0.038 63.089 63.200 -0.122 0.000 0.790 23 S HN 1.856 nan 8.310 nan 0.000 0.514 24 G N 1.271 109.999 108.800 -0.119 0.000 2.184 24 G HA2 -0.339 3.612 3.960 -0.014 0.000 0.264 24 G HA3 -0.339 3.612 3.960 -0.014 0.000 0.264 24 G C 0.085 174.935 174.900 -0.082 0.000 0.975 24 G CA 0.482 45.522 45.100 -0.099 0.000 0.642 24 G HN 0.814 nan 8.290 nan 0.000 0.536 25 K N 0.777 121.124 120.400 -0.090 0.000 2.451 25 K HA 0.420 4.732 4.320 -0.014 0.000 0.280 25 K C 0.432 176.977 176.600 -0.091 0.000 1.020 25 K CA -0.051 56.180 56.287 -0.094 0.000 1.008 25 K CB 0.782 33.212 32.500 -0.117 0.000 0.917 25 K HN 0.232 nan 8.250 nan 0.000 0.478 26 V N 8.169 128.037 119.914 -0.077 0.000 2.339 26 V HA 0.092 4.204 4.120 -0.014 0.000 0.261 26 V C 1.172 177.228 176.094 -0.063 0.000 1.058 26 V CA -0.224 62.039 62.300 -0.062 0.000 0.897 26 V CB 0.418 32.207 31.823 -0.056 0.000 1.052 26 V HN 0.797 nan 8.190 nan 0.000 0.480 27 L N 3.662 124.845 121.223 -0.067 0.000 2.240 27 L HA 0.316 4.647 4.340 -0.014 0.000 0.211 27 L C 1.014 177.969 176.870 0.142 0.000 1.106 27 L CA 1.020 55.815 54.840 -0.076 0.000 0.793 27 L CB 0.050 42.000 42.059 -0.181 0.000 0.927 27 L HN 0.745 nan 8.230 nan 0.000 0.446 28 A N 0.266 123.153 122.820 0.112 0.000 2.589 28 A HA 0.646 4.957 4.320 -0.014 0.000 0.296 28 A C -1.251 176.368 177.584 0.058 0.000 1.062 28 A CA -0.513 51.586 52.037 0.104 0.000 0.686 28 A CB 1.446 20.489 19.000 0.071 0.000 1.282 28 A HN 0.153 nan 8.150 nan 0.000 0.404 29 E N 0.448 120.605 120.200 -0.071 0.000 2.388 29 E HA 0.641 4.982 4.350 -0.014 0.000 0.280 29 E C -0.544 175.448 176.600 -1.012 0.000 1.019 29 E CA -0.795 55.306 56.400 -0.498 0.000 0.806 29 E CB 1.746 31.259 29.700 -0.312 0.000 1.246 29 E HN 1.571 nan 8.360 nan 0.000 0.443 30 G N 1.491 109.244 108.800 -1.745 0.000 2.711 30 G HA2 0.359 4.310 3.960 -0.014 0.000 0.288 30 G HA3 0.359 4.310 3.960 -0.014 0.000 0.288 30 G C -0.454 173.845 174.900 -1.003 0.000 1.451 30 G CA -0.812 43.183 45.100 -1.842 0.000 1.186 30 G HN 0.529 nan 8.290 nan 0.000 0.560 31 N N -0.191 118.188 118.700 -0.534 0.000 2.710 31 N HA -0.255 4.476 4.740 -0.014 0.000 0.249 31 N C 1.493 176.851 175.510 -0.253 0.000 1.059 31 N CA 1.006 53.877 53.050 -0.298 0.000 0.720 31 N CB -0.714 37.652 38.487 -0.201 0.000 0.983 31 N HN 0.980 nan 8.380 nan 0.000 0.544 32 A N -0.635 122.016 122.820 -0.282 0.000 2.206 32 A HA -0.057 4.254 4.320 -0.014 0.000 0.211 32 A C 1.408 178.911 177.584 -0.134 0.000 1.158 32 A CA 0.869 52.780 52.037 -0.210 0.000 0.761 32 A CB 0.258 19.124 19.000 -0.223 0.000 0.801 32 A HN 0.254 nan 8.150 nan 0.000 0.473 33 D N -0.602 119.720 120.400 -0.130 0.000 2.433 33 D HA 0.050 4.682 4.640 -0.014 0.000 0.211 33 D C 0.233 176.474 176.300 -0.097 0.000 1.114 33 D CA -0.083 53.855 54.000 -0.103 0.000 0.837 33 D CB 0.236 40.976 40.800 -0.100 0.000 0.984 33 D HN 0.652 nan 8.370 nan 0.000 0.505 34 E N 1.979 122.122 120.200 -0.095 0.000 2.324 34 E HA 0.033 4.374 4.350 -0.014 0.000 0.271 34 E C -0.304 176.258 176.600 -0.064 0.000 1.028 34 E CA -0.092 56.259 56.400 -0.082 0.000 0.890 34 E CB 0.681 30.340 29.700 -0.068 0.000 1.004 34 E HN -0.124 nan 8.360 nan 0.000 0.431 35 K N 4.399 124.746 120.400 -0.089 0.000 2.276 35 K HA 0.325 4.636 4.320 -0.014 0.000 0.283 35 K C -0.497 176.123 176.600 0.034 0.000 1.044 35 K CA -0.120 56.125 56.287 -0.070 0.000 0.944 35 K CB 0.685 33.032 32.500 -0.256 0.000 1.012 35 K HN 0.427 nan 8.250 nan 0.000 0.472 36 L N 1.190 122.486 121.223 0.123 0.000 2.415 36 L HA 0.247 4.579 4.340 -0.014 0.000 0.256 36 L C -0.450 176.531 176.870 0.185 0.000 1.010 36 L CA -1.092 53.836 54.840 0.147 0.000 0.826 36 L CB 1.868 43.972 42.059 0.075 0.000 1.405 36 L HN 0.547 nan 8.230 nan 0.000 0.410 37 D N 2.886 123.359 120.400 0.123 0.000 2.417 37 D HA 0.092 4.723 4.640 -0.014 0.000 0.250 37 D C -1.677 174.653 176.300 0.050 0.000 1.166 37 D CA -1.403 52.613 54.000 0.027 0.000 0.881 37 D CB 1.612 42.393 40.800 -0.031 0.000 1.164 37 D HN 0.237 nan 8.370 nan 0.000 0.467 38 P HA -0.035 nan 4.420 nan 0.000 0.229 38 P C 0.750 178.112 177.300 0.104 0.000 1.160 38 P CA 0.966 64.132 63.100 0.109 0.000 0.777 38 P CB 0.172 31.985 31.700 0.188 0.000 0.814 39 A N 0.608 123.480 122.820 0.087 0.000 5.318 39 A HA -0.341 3.970 4.320 -0.014 0.000 0.329 39 A C 2.095 179.736 177.584 0.095 0.000 1.789 39 A CA 2.524 54.604 52.037 0.072 0.000 0.711 39 A CB -2.442 16.578 19.000 0.032 0.000 1.398 39 A HN 0.227 nan 8.150 nan 0.000 0.392 40 S N -0.102 115.643 115.700 0.074 0.000 2.442 40 S HA -0.012 4.449 4.470 -0.014 0.000 0.236 40 S C 1.670 176.330 174.600 0.100 0.000 1.007 40 S CA 1.530 59.779 58.200 0.081 0.000 0.965 40 S CB -0.511 62.731 63.200 0.071 0.000 0.773 40 S HN 0.496 nan 8.310 nan 0.000 0.504 41 L N 1.041 122.331 121.223 0.113 0.000 2.362 41 L HA -0.082 4.249 4.340 -0.014 0.000 0.219 41 L C 2.383 179.339 176.870 0.143 0.000 1.134 41 L CA 0.824 55.742 54.840 0.130 0.000 0.807 41 L CB -1.189 40.950 42.059 0.134 0.000 0.927 41 L HN 0.274 nan 8.230 nan 0.000 0.447 42 T N -0.198 114.451 114.554 0.158 0.000 2.760 42 T HA -0.245 4.096 4.350 -0.014 0.000 0.269 42 T C 1.808 176.467 174.700 -0.069 0.000 1.047 42 T CA 1.371 63.505 62.100 0.057 0.000 1.139 42 T CB -0.148 68.786 68.868 0.111 0.000 0.855 42 T HN 0.351 nan 8.240 nan 0.000 0.471 43 K N 0.299 120.717 120.400 0.029 0.000 2.439 43 K HA 0.117 4.428 4.320 -0.014 0.000 0.197 43 K C 2.012 178.661 176.600 0.083 0.000 1.041 43 K CA 0.485 56.797 56.287 0.042 0.000 0.970 43 K CB -0.234 32.304 32.500 0.063 0.000 0.773 43 K HN 0.409 nan 8.250 nan 0.000 0.479 44 I N 0.582 121.207 120.570 0.091 0.000 2.163 44 I HA -0.309 3.852 4.170 -0.014 0.000 0.243 44 I C 2.464 178.628 176.117 0.079 0.000 1.085 44 I CA 1.110 62.481 61.300 0.119 0.000 1.347 44 I CB -0.154 37.906 38.000 0.101 0.000 1.044 44 I HN 0.188 nan 8.210 nan 0.000 0.408 45 M N 0.515 120.078 119.600 -0.061 0.000 2.200 45 M HA -0.108 4.364 4.480 -0.014 0.000 0.265 45 M C 2.190 178.490 176.300 -0.002 0.000 1.066 45 M CA 1.915 57.137 55.300 -0.130 0.000 1.127 45 M CB -0.694 31.563 32.600 -0.572 0.000 1.379 45 M HN 0.057 nan 8.290 nan 0.000 0.420 46 T N -0.517 114.051 114.554 0.024 0.000 2.665 46 T HA -0.170 4.172 4.350 -0.014 0.000 0.268 46 T C 1.974 176.820 174.700 0.244 0.000 1.035 46 T CA 1.999 64.239 62.100 0.233 0.000 1.151 46 T CB -0.635 68.305 68.868 0.120 0.000 0.862 46 T HN 0.585 nan 8.240 nan 0.000 0.438 47 S N -0.163 115.638 115.700 0.169 0.000 2.387 47 S HA -0.103 4.358 4.470 -0.014 0.000 0.226 47 S C 1.851 176.538 174.600 0.146 0.000 1.026 47 S CA 0.708 59.007 58.200 0.164 0.000 0.972 47 S CB -0.583 62.751 63.200 0.223 0.000 0.814 47 S HN 0.573 nan 8.310 nan 0.000 0.477 48 Y N 2.081 122.391 120.300 0.015 0.000 2.081 48 Y HA -0.179 4.383 4.550 0.020 0.000 0.280 48 Y C 2.227 178.038 175.900 -0.148 0.000 1.163 48 Y CA 2.171 60.221 58.100 -0.084 0.000 1.135 48 Y CB -0.577 37.800 38.460 -0.140 0.000 0.970 48 Y HN 0.149 nan 8.280 nan 0.000 0.498 49 V N -1.115 118.835 119.914 0.059 0.000 2.295 49 V HA -0.319 3.792 4.120 -0.014 0.000 0.246 49 V C 2.309 178.410 176.094 0.013 0.000 1.049 49 V CA 1.765 64.046 62.300 -0.032 0.000 1.024 49 V CB -0.936 30.750 31.823 -0.228 0.000 0.648 49 V HN 0.346 nan 8.190 nan 0.000 0.447 50 V N 0.974 120.970 119.914 0.137 0.000 2.343 50 V HA -0.180 3.932 4.120 -0.014 0.000 0.247 50 V C 2.656 178.763 176.094 0.023 0.000 1.051 50 V CA 2.162 64.544 62.300 0.137 0.000 1.036 50 V CB -1.403 30.507 31.823 0.146 0.000 0.654 50 V HN 0.619 nan 8.190 nan 0.000 0.451 51 G N -0.986 107.787 108.800 -0.045 0.000 2.440 51 G HA2 -0.260 3.691 3.960 -0.014 0.000 0.218 51 G HA3 -0.260 3.691 3.960 -0.014 0.000 0.218 51 G C 1.489 176.292 174.900 -0.162 0.000 1.154 51 G CA 0.626 45.661 45.100 -0.108 0.000 0.767 51 G HN 0.472 nan 8.290 nan 0.000 0.552 52 Q N 0.363 120.010 119.800 -0.255 0.000 2.119 52 Q HA -0.001 4.330 4.340 -0.014 0.000 0.201 52 Q C 3.007 178.971 176.000 -0.060 0.000 0.972 52 Q CA 1.321 57.000 55.803 -0.206 0.000 0.847 52 Q CB -0.539 28.039 28.738 -0.266 0.000 0.903 52 Q HN 0.469 nan 8.270 nan 0.000 0.433 53 A N 0.881 123.693 122.820 -0.014 0.000 1.933 53 A HA -0.131 4.181 4.320 -0.014 0.000 0.218 53 A C 2.243 179.839 177.584 0.020 0.000 1.175 53 A CA 0.997 53.050 52.037 0.027 0.000 0.628 53 A CB -0.654 18.387 19.000 0.069 0.000 0.814 53 A HN 0.280 nan 8.150 nan 0.000 0.444 54 L N -0.825 120.404 121.223 0.011 0.000 2.056 54 L HA -0.167 4.165 4.340 -0.014 0.000 0.207 54 L C 2.622 179.489 176.870 -0.006 0.000 1.078 54 L CA 1.901 56.747 54.840 0.010 0.000 0.749 54 L CB -0.323 41.737 42.059 0.003 0.000 0.901 54 L HN 0.437 nan 8.230 nan 0.000 0.433 55 K N 0.321 120.703 120.400 -0.030 0.000 2.097 55 K HA -0.131 4.180 4.320 -0.014 0.000 0.205 55 K C 1.842 178.432 176.600 -0.016 0.000 1.050 55 K CA 1.215 57.483 56.287 -0.033 0.000 0.938 55 K CB -0.041 32.421 32.500 -0.064 0.000 0.718 55 K HN 0.271 nan 8.250 nan 0.000 0.442 56 A N 0.841 123.656 122.820 -0.009 0.000 2.235 56 A HA -0.041 4.270 4.320 -0.014 0.000 0.208 56 A C 0.248 177.836 177.584 0.008 0.000 1.172 56 A CA 0.927 52.966 52.037 0.004 0.000 0.786 56 A CB -0.203 18.805 19.000 0.012 0.000 0.804 56 A HN 0.601 nan 8.150 nan 0.000 0.479 57 D N -1.750 118.656 120.400 0.010 0.000 2.772 57 D HA -0.139 4.493 4.640 -0.014 0.000 0.233 57 D C 0.897 177.208 176.300 0.019 0.000 1.143 57 D CA 1.147 55.156 54.000 0.016 0.000 0.700 57 D CB -0.632 40.176 40.800 0.013 0.000 1.076 57 D HN 0.354 nan 8.370 nan 0.000 0.430 58 K N -0.390 120.021 120.400 0.019 0.000 2.262 58 K HA 0.234 4.545 4.320 -0.014 0.000 0.200 58 K C 1.401 178.013 176.600 0.019 0.000 1.049 58 K CA 0.628 56.920 56.287 0.009 0.000 0.979 58 K CB 0.291 32.791 32.500 0.001 0.000 0.773 58 K HN 0.687 nan 8.250 nan 0.000 0.474 59 I N -2.600 118.006 120.570 0.059 0.000 3.042 59 I HA 0.459 4.620 4.170 -0.014 0.000 0.310 59 I C -1.094 175.087 176.117 0.106 0.000 1.117 59 I CA -1.106 60.274 61.300 0.134 0.000 1.003 59 I CB 2.440 40.583 38.000 0.239 0.000 1.228 59 I HN -0.283 nan 8.210 nan 0.000 0.443 60 K N 2.600 123.071 120.400 0.119 0.000 2.385 60 K HA 0.504 4.815 4.320 -0.014 0.000 0.248 60 K C 0.272 176.900 176.600 0.047 0.000 0.955 60 K CA -0.832 55.494 56.287 0.065 0.000 0.816 60 K CB 2.795 35.327 32.500 0.053 0.000 1.250 60 K HN 0.617 nan 8.250 nan 0.000 0.434 61 L N 0.748 121.984 121.223 0.021 0.000 2.187 61 L HA -0.204 4.127 4.340 -0.014 0.000 0.213 61 L C 1.978 178.844 176.870 -0.007 0.000 1.100 61 L CA 1.697 56.538 54.840 0.002 0.000 0.765 61 L CB -0.609 41.449 42.059 -0.003 0.000 0.904 61 L HN 0.829 nan 8.230 nan 0.000 0.437 62 T N -5.341 109.214 114.554 0.003 0.000 3.107 62 T HA 0.062 4.404 4.350 -0.014 0.000 0.249 62 T C 0.533 175.226 174.700 -0.011 0.000 1.096 62 T CA -0.437 61.662 62.100 -0.000 0.000 1.012 62 T CB -0.264 68.610 68.868 0.008 0.000 0.977 62 T HN 0.011 nan 8.240 nan 0.000 0.527 63 D N 2.423 122.815 120.400 -0.014 0.000 2.455 63 D HA 0.198 4.830 4.640 -0.014 0.000 0.241 63 D C 0.117 176.336 176.300 -0.135 0.000 1.138 63 D CA 0.246 54.229 54.000 -0.030 0.000 0.877 63 D CB 0.510 41.330 40.800 0.033 0.000 1.187 63 D HN 0.146 nan 8.370 nan 0.000 0.451 64 M N 2.004 121.535 119.600 -0.116 0.000 2.157 64 M HA 0.284 4.756 4.480 -0.014 0.000 0.354 64 M C -0.537 175.622 176.300 -0.234 0.000 1.170 64 M CA -0.841 54.376 55.300 -0.138 0.000 1.060 64 M CB 1.265 33.831 32.600 -0.055 0.000 1.615 64 M HN -0.030 nan 8.290 nan 0.000 0.460 65 V N 2.820 122.558 119.914 -0.293 0.000 2.483 65 V HA 0.387 4.498 4.120 -0.014 0.000 0.295 65 V C 0.338 176.360 176.094 -0.121 0.000 1.035 65 V CA -0.669 61.429 62.300 -0.338 0.000 0.896 65 V CB 1.794 33.361 31.823 -0.425 0.000 0.986 65 V HN 0.835 nan 8.190 nan 0.000 0.447 66 T N 4.352 118.880 114.554 -0.043 0.000 2.729 66 T HA 0.306 4.647 4.350 -0.014 0.000 0.296 66 T C 0.080 174.773 174.700 -0.013 0.000 0.928 66 T CA -0.196 61.894 62.100 -0.016 0.000 1.045 66 T CB 0.887 69.761 68.868 0.011 0.000 0.902 66 T HN 0.393 nan 8.240 nan 0.000 0.500 67 V N 4.024 123.920 119.914 -0.030 0.000 2.585 67 V HA 0.400 4.511 4.120 -0.014 0.000 0.296 67 V C 1.178 177.255 176.094 -0.029 0.000 1.035 67 V CA -0.176 62.106 62.300 -0.030 0.000 1.084 67 V CB 0.630 32.427 31.823 -0.045 0.000 0.953 67 V HN 1.006 nan 8.190 nan 0.000 0.483 68 G N 3.126 111.927 108.800 0.001 0.000 2.511 68 G HA2 0.389 4.340 3.960 -0.014 0.000 0.316 68 G HA3 0.389 4.340 3.960 -0.014 0.000 0.316 68 G C 0.509 175.439 174.900 0.049 0.000 1.210 68 G CA -0.618 44.494 45.100 0.019 0.000 0.969 68 G HN 0.704 nan 8.290 nan 0.000 0.492 69 K N -0.578 119.876 120.400 0.089 0.000 2.362 69 K HA -0.087 4.224 4.320 -0.014 0.000 0.200 69 K C 1.767 178.496 176.600 0.215 0.000 1.046 69 K CA 1.492 57.902 56.287 0.205 0.000 0.952 69 K CB 0.126 32.761 32.500 0.225 0.000 0.753 69 K HN 0.569 nan 8.250 nan 0.000 0.466 70 D N -0.217 120.263 120.400 0.132 0.000 2.350 70 D HA -0.118 4.513 4.640 -0.014 0.000 0.216 70 D C 0.785 177.158 176.300 0.121 0.000 0.968 70 D CA 0.685 54.752 54.000 0.111 0.000 0.894 70 D CB 0.015 40.859 40.800 0.073 0.000 0.909 70 D HN 0.140 nan 8.370 nan 0.000 0.520 71 A N -0.782 122.120 122.820 0.137 0.000 2.577 71 A HA 0.343 4.654 4.320 -0.014 0.000 0.280 71 A C -0.684 177.025 177.584 0.209 0.000 1.331 71 A CA -0.683 51.427 52.037 0.122 0.000 0.935 71 A CB -0.496 18.539 19.000 0.059 0.000 1.082 71 A HN 0.250 nan 8.150 nan 0.000 0.525 72 W N -1.220 120.085 121.300 0.009 0.000 2.936 72 W HA 0.577 5.228 4.660 -0.016 0.000 0.338 72 W C 0.741 177.268 176.519 0.014 0.000 1.121 72 W CA -0.994 56.364 57.345 0.021 0.000 1.209 72 W CB 1.618 31.098 29.460 0.032 0.000 1.420 72 W HN 0.225 nan 8.180 nan 0.000 0.516 73 A N 2.385 125.240 122.820 0.059 0.000 1.901 73 A HA -0.364 3.948 4.320 -0.014 0.000 0.227 73 A C 1.758 179.056 177.584 -0.477 0.000 1.551 73 A CA 4.007 55.893 52.037 -0.252 0.000 0.769 73 A CB -1.501 17.375 19.000 -0.208 0.000 0.845 73 A HN 0.755 nan 8.150 nan 0.000 0.481 74 T N -0.647 113.269 114.554 -1.063 0.000 2.607 74 T HA -0.039 4.302 4.350 -0.014 0.000 0.267 74 T C 1.866 176.322 174.700 -0.406 0.000 1.049 74 T CA 1.803 63.399 62.100 -0.840 0.000 1.162 74 T CB -0.962 67.073 68.868 -1.387 0.000 0.863 74 T HN 0.772 nan 8.240 nan 0.000 0.424 75 G N 0.827 109.486 108.800 -0.235 0.000 2.813 75 G HA2 0.018 3.969 3.960 -0.014 0.000 0.209 75 G HA3 0.018 3.969 3.960 -0.014 0.000 0.209 75 G C 0.546 175.469 174.900 0.040 0.000 1.150 75 G CA -0.155 44.963 45.100 0.029 0.000 0.785 75 G HN 0.378 nan 8.290 nan 0.000 0.535 76 N N -0.115 118.590 118.700 0.009 0.000 2.617 76 N HA 0.303 5.035 4.740 -0.014 0.000 0.263 76 N C -2.190 173.300 175.510 -0.033 0.000 1.074 76 N CA -1.661 51.396 53.050 0.012 0.000 0.841 76 N CB 2.320 40.838 38.487 0.051 0.000 1.221 76 N HN -0.224 nan 8.380 nan 0.000 0.529 77 P HA -0.054 nan 4.420 nan 0.000 0.221 77 P C 0.832 178.103 177.300 -0.048 0.000 1.145 77 P CA 0.829 63.898 63.100 -0.052 0.000 0.795 77 P CB 0.391 32.067 31.700 -0.040 0.000 0.775 78 A N -0.774 122.025 122.820 -0.036 0.000 2.066 78 A HA -0.048 4.263 4.320 -0.014 0.000 0.218 78 A C 1.897 179.417 177.584 -0.106 0.000 1.157 78 A CA 0.808 52.813 52.037 -0.053 0.000 0.670 78 A CB -1.312 17.678 19.000 -0.016 0.000 0.804 78 A HN 0.164 nan 8.150 nan 0.000 0.453 79 L N -0.812 120.354 121.223 -0.095 0.000 2.610 79 L HA 0.065 4.397 4.340 -0.014 0.000 0.232 79 L C 1.044 177.850 176.870 -0.107 0.000 1.149 79 L CA -0.178 54.588 54.840 -0.123 0.000 0.872 79 L CB -0.384 41.625 42.059 -0.084 0.000 0.992 79 L HN 0.165 nan 8.230 nan 0.000 0.447 80 R N 1.561 122.011 120.500 -0.084 0.000 2.507 80 R HA 0.146 4.477 4.340 -0.014 0.000 0.341 80 R C 1.013 177.280 176.300 -0.055 0.000 0.960 80 R CA 0.714 56.776 56.100 -0.064 0.000 1.032 80 R CB -0.559 29.709 30.300 -0.054 0.000 0.933 80 R HN 0.308 nan 8.270 nan 0.000 0.418 81 G N 3.086 111.859 108.800 -0.045 0.000 2.273 81 G HA2 -0.311 3.640 3.960 -0.014 0.000 0.280 81 G HA3 -0.311 3.640 3.960 -0.014 0.000 0.280 81 G C -0.076 174.795 174.900 -0.048 0.000 1.047 81 G CA 0.541 45.624 45.100 -0.027 0.000 0.869 81 G HN 0.759 nan 8.290 nan 0.000 0.502 82 S N -1.427 114.222 115.700 -0.085 0.000 2.722 82 S HA 0.784 5.246 4.470 -0.014 0.000 0.292 82 S C 0.560 175.097 174.600 -0.105 0.000 1.135 82 S CA 0.247 58.392 58.200 -0.092 0.000 1.003 82 S CB 1.861 64.981 63.200 -0.133 0.000 1.067 82 S HN 1.383 nan 8.310 nan 0.000 0.546 83 S N 0.027 115.681 115.700 -0.076 0.000 2.544 83 S HA 0.397 4.859 4.470 -0.014 0.000 0.290 83 S C -0.587 173.935 174.600 -0.130 0.000 1.276 83 S CA -0.301 57.855 58.200 -0.073 0.000 1.075 83 S CB -0.803 62.388 63.200 -0.017 0.000 0.849 83 S HN 0.700 nan 8.310 nan 0.000 0.494 84 V N 6.773 126.562 119.914 -0.208 0.000 3.012 84 V HA 0.297 4.408 4.120 -0.014 0.000 0.307 84 V C 0.450 176.371 176.094 -0.289 0.000 1.166 84 V CA -0.668 61.439 62.300 -0.322 0.000 0.974 84 V CB 2.260 33.761 31.823 -0.535 0.000 1.040 84 V HN 1.040 nan 8.190 nan 0.000 0.428 85 M N 3.118 122.632 119.600 -0.143 0.000 2.558 85 M HA 0.267 4.738 4.480 -0.014 0.000 0.255 85 M C 0.038 176.485 176.300 0.246 0.000 1.113 85 M CA 0.895 56.221 55.300 0.044 0.000 1.097 85 M CB 0.013 32.584 32.600 -0.048 0.000 1.426 85 M HN 0.716 nan 8.290 nan 0.000 0.488 86 F N -0.056 119.973 119.950 0.131 0.000 2.985 86 F HA -0.212 4.307 4.527 -0.012 0.000 0.303 86 F C -0.588 175.312 175.800 0.167 0.000 0.976 86 F CA -0.598 57.495 58.000 0.155 0.000 1.013 86 F CB -1.645 37.437 39.000 0.136 0.000 1.060 86 F HN -0.037 nan 8.300 nan 0.000 0.780 87 L N 1.638 123.001 121.223 0.234 0.000 2.417 87 L HA 0.361 4.692 4.340 -0.014 0.000 0.268 87 L C 0.513 177.430 176.870 0.077 0.000 1.158 87 L CA -0.315 54.617 54.840 0.153 0.000 0.819 87 L CB 0.820 42.923 42.059 0.074 0.000 1.112 87 L HN 0.206 nan 8.230 nan 0.000 0.458 88 K N 2.067 122.415 120.400 -0.088 0.000 2.375 88 K HA 0.636 4.947 4.320 -0.014 0.000 0.249 88 K C -2.735 173.590 176.600 -0.459 0.000 0.942 88 K CA -2.070 53.941 56.287 -0.459 0.000 0.806 88 K CB 1.161 33.423 32.500 -0.397 0.000 1.227 88 K HN 0.172 nan 8.250 nan 0.000 0.430 89 P HA -0.117 nan 4.420 nan 0.000 0.264 89 P C 0.791 177.925 177.300 -0.277 0.000 1.179 89 P CA 1.471 64.323 63.100 -0.414 0.000 0.763 89 P CB 0.328 31.733 31.700 -0.493 0.000 0.806 90 G N 1.619 110.326 108.800 -0.154 0.000 2.234 90 G HA2 -0.241 3.711 3.960 -0.014 0.000 0.260 90 G HA3 -0.241 3.711 3.960 -0.014 0.000 0.260 90 G C 0.123 174.975 174.900 -0.079 0.000 0.987 90 G CA 0.017 45.056 45.100 -0.101 0.000 0.625 90 G HN 0.520 nan 8.290 nan 0.000 0.532 91 D N 1.257 121.604 120.400 -0.088 0.000 2.478 91 D HA 0.356 4.987 4.640 -0.014 0.000 0.234 91 D C 0.662 176.949 176.300 -0.023 0.000 1.154 91 D CA 0.690 54.666 54.000 -0.041 0.000 0.874 91 D CB 0.478 41.272 40.800 -0.011 0.000 1.198 91 D HN 0.247 nan 8.370 nan 0.000 0.455 92 Q N 1.024 120.820 119.800 -0.007 0.000 2.333 92 Q HA 0.490 4.822 4.340 -0.014 0.000 0.265 92 Q C -0.809 175.201 176.000 0.018 0.000 0.989 92 Q CA -0.689 55.108 55.803 -0.010 0.000 0.842 92 Q CB 1.991 30.721 28.738 -0.012 0.000 1.262 92 Q HN 0.119 nan 8.270 nan 0.000 0.451 93 V N 1.358 121.271 119.914 -0.001 0.000 2.760 93 V HA 0.417 4.528 4.120 -0.014 0.000 0.309 93 V C 0.115 176.187 176.094 -0.037 0.000 1.077 93 V CA -0.939 61.386 62.300 0.043 0.000 0.910 93 V CB 2.179 34.035 31.823 0.053 0.000 1.008 93 V HN 0.864 nan 8.190 nan 0.000 0.424 94 S N 2.638 118.336 115.700 -0.003 0.000 2.585 94 S HA 0.282 4.744 4.470 -0.014 0.000 0.273 94 S C 1.143 175.681 174.600 -0.102 0.000 1.339 94 S CA -0.358 57.810 58.200 -0.054 0.000 1.028 94 S CB 1.444 64.640 63.200 -0.006 0.000 0.906 94 S HN 0.467 nan 8.310 nan 0.000 0.528 95 V N 2.341 122.170 119.914 -0.141 0.000 2.324 95 V HA -0.242 3.869 4.120 -0.014 0.000 0.250 95 V C 2.944 178.988 176.094 -0.083 0.000 1.060 95 V CA 2.474 64.699 62.300 -0.126 0.000 1.042 95 V CB -1.771 30.004 31.823 -0.080 0.000 0.650 95 V HN 1.046 nan 8.190 nan 0.000 0.450 96 A N -0.289 122.497 122.820 -0.056 0.000 1.883 96 A HA -0.290 4.022 4.320 -0.014 0.000 0.217 96 A C 2.032 179.573 177.584 -0.071 0.000 1.186 96 A CA 2.249 54.255 52.037 -0.050 0.000 0.624 96 A CB -0.656 18.334 19.000 -0.017 0.000 0.822 96 A HN 0.555 nan 8.150 nan 0.000 0.444 97 D N -0.152 120.229 120.400 -0.031 0.000 2.117 97 D HA -0.071 4.560 4.640 -0.014 0.000 0.198 97 D C 1.986 178.181 176.300 -0.175 0.000 0.982 97 D CA 0.975 54.963 54.000 -0.020 0.000 0.828 97 D CB -0.329 40.529 40.800 0.097 0.000 0.967 97 D HN 0.445 nan 8.370 nan 0.000 0.464 98 L N 0.598 121.714 121.223 -0.178 0.000 2.083 98 L HA -0.171 4.160 4.340 -0.014 0.000 0.209 98 L C 2.182 178.933 176.870 -0.198 0.000 1.083 98 L CA 0.756 55.476 54.840 -0.200 0.000 0.752 98 L CB -0.382 41.582 42.059 -0.158 0.000 0.899 98 L HN 0.007 nan 8.230 nan 0.000 0.433 99 N N 0.595 119.189 118.700 -0.177 0.000 2.084 99 N HA -0.187 4.545 4.740 -0.014 0.000 0.190 99 N C 1.754 177.093 175.510 -0.286 0.000 1.030 99 N CA 1.491 54.436 53.050 -0.175 0.000 0.849 99 N CB 0.042 38.454 38.487 -0.124 0.000 1.012 99 N HN 0.152 nan 8.380 nan 0.000 0.423 100 K N -0.700 119.456 120.400 -0.406 0.000 2.097 100 K HA -0.025 4.286 4.320 -0.014 0.000 0.206 100 K C 1.996 178.075 176.600 -0.868 0.000 1.049 100 K CA 1.125 56.977 56.287 -0.724 0.000 0.933 100 K CB -0.399 31.480 32.500 -1.037 0.000 0.717 100 K HN 0.293 nan 8.250 nan 0.000 0.442 101 G N 0.949 109.387 108.800 -0.604 0.000 2.418 101 G HA2 -0.222 3.729 3.960 -0.014 0.000 0.217 101 G HA3 -0.222 3.729 3.960 -0.014 0.000 0.217 101 G C 1.556 176.349 174.900 -0.177 0.000 1.158 101 G CA 0.739 45.687 45.100 -0.253 0.000 0.771 101 G HN 0.093 nan 8.290 nan 0.000 0.545 102 V N 0.838 120.638 119.914 -0.190 0.000 2.295 102 V HA -0.122 3.989 4.120 -0.014 0.000 0.246 102 V C 2.725 178.731 176.094 -0.147 0.000 1.049 102 V CA 1.624 63.847 62.300 -0.128 0.000 1.024 102 V CB -0.307 31.453 31.823 -0.104 0.000 0.648 102 V HN 0.382 nan 8.190 nan 0.000 0.447 103 I N -0.995 119.419 120.570 -0.259 0.000 2.339 103 I HA -0.103 4.058 4.170 -0.014 0.000 0.245 103 I C 2.117 178.057 176.117 -0.294 0.000 1.096 103 I CA 1.500 62.573 61.300 -0.379 0.000 1.408 103 I CB -0.055 37.588 38.000 -0.595 0.000 1.092 103 I HN 0.194 nan 8.210 nan 0.000 0.423 104 I N -0.158 120.242 120.570 -0.283 0.000 2.429 104 I HA -0.175 3.986 4.170 -0.014 0.000 0.247 104 I C 2.451 178.578 176.117 0.016 0.000 1.099 104 I CA 0.907 62.123 61.300 -0.141 0.000 1.422 104 I CB -0.069 37.831 38.000 -0.166 0.000 1.112 104 I HN 0.200 nan 8.210 nan 0.000 0.430 105 Q N 0.449 120.271 119.800 0.038 0.000 2.402 105 Q HA 0.025 4.356 4.340 -0.014 0.000 0.206 105 Q C 0.634 176.673 176.000 0.064 0.000 0.919 105 Q CA 0.414 56.297 55.803 0.135 0.000 0.923 105 Q CB 0.619 29.511 28.738 0.257 0.000 1.048 105 Q HN 0.262 nan 8.270 nan 0.000 0.515 106 S N -0.022 115.685 115.700 0.011 0.000 3.682 106 S HA -0.156 4.306 4.470 -0.014 0.000 0.354 106 S C 0.094 174.697 174.600 0.005 0.000 1.034 106 S CA 0.275 58.482 58.200 0.012 0.000 1.084 106 S CB -1.573 61.654 63.200 0.045 0.000 0.903 106 S HN 0.699 nan 8.310 nan 0.000 0.470 107 G N 0.931 109.723 108.800 -0.012 0.000 2.364 107 G HA2 0.361 4.312 3.960 -0.014 0.000 0.267 107 G HA3 0.361 4.312 3.960 -0.014 0.000 0.267 107 G C 0.731 175.609 174.900 -0.036 0.000 1.233 107 G CA -0.508 44.572 45.100 -0.034 0.000 0.885 107 G HN 0.410 nan 8.290 nan 0.000 0.490 108 N N 1.714 120.388 118.700 -0.044 0.000 2.270 108 N HA -0.105 4.626 4.740 -0.014 0.000 0.181 108 N C 1.858 177.381 175.510 0.021 0.000 1.016 108 N CA 1.325 54.373 53.050 -0.004 0.000 0.870 108 N CB 0.077 38.493 38.487 -0.117 0.000 0.979 108 N HN 0.735 nan 8.380 nan 0.000 0.431 109 D N 0.923 121.305 120.400 -0.031 0.000 2.144 109 D HA -0.053 4.578 4.640 -0.014 0.000 0.200 109 D C 1.695 177.976 176.300 -0.031 0.000 0.978 109 D CA 1.076 55.070 54.000 -0.011 0.000 0.833 109 D CB -0.634 40.157 40.800 -0.015 0.000 0.961 109 D HN 0.132 nan 8.370 nan 0.000 0.470 110 A N 0.553 123.336 122.820 -0.063 0.000 1.940 110 A HA -0.160 4.151 4.320 -0.014 0.000 0.219 110 A C 2.556 180.078 177.584 -0.104 0.000 1.176 110 A CA 1.546 53.525 52.037 -0.096 0.000 0.631 110 A CB -1.138 17.788 19.000 -0.125 0.000 0.814 110 A HN 0.455 nan 8.150 nan 0.000 0.446 111 C N -0.704 118.543 119.300 -0.089 0.000 2.413 111 C HA -0.116 4.336 4.460 -0.014 0.000 0.276 111 C C 2.558 177.419 174.990 -0.215 0.000 1.248 111 C CA 1.051 59.980 59.018 -0.147 0.000 1.742 111 C CB -1.362 26.329 27.740 -0.083 0.000 2.017 111 C HN 0.635 nan 8.230 nan 0.000 0.481 112 I N 1.277 121.781 120.570 -0.109 0.000 2.202 112 I HA -0.170 3.991 4.170 -0.014 0.000 0.242 112 I C 2.777 178.831 176.117 -0.104 0.000 1.091 112 I CA 1.531 62.766 61.300 -0.110 0.000 1.368 112 I CB -0.596 37.404 38.000 -0.000 0.000 1.058 112 I HN 0.263 nan 8.210 nan 0.000 0.410 113 A N 0.734 123.513 122.820 -0.069 0.000 1.933 113 A HA -0.172 4.139 4.320 -0.014 0.000 0.218 113 A C 2.338 179.896 177.584 -0.044 0.000 1.175 113 A CA 1.437 53.446 52.037 -0.046 0.000 0.628 113 A CB -0.778 18.192 19.000 -0.050 0.000 0.814 113 A HN 0.383 nan 8.150 nan 0.000 0.444 114 L N -1.063 120.102 121.223 -0.098 0.000 2.072 114 L HA -0.155 4.176 4.340 -0.014 0.000 0.205 114 L C 3.123 179.925 176.870 -0.114 0.000 1.079 114 L CA 0.990 55.789 54.840 -0.068 0.000 0.752 114 L CB -0.488 41.510 42.059 -0.102 0.000 0.906 114 L HN 0.458 nan 8.230 nan 0.000 0.436 115 A N -0.101 122.471 122.820 -0.414 0.000 1.883 115 A HA -0.265 4.046 4.320 -0.014 0.000 0.217 115 A C 1.853 179.369 177.584 -0.112 0.000 1.186 115 A CA 2.153 53.792 52.037 -0.663 0.000 0.624 115 A CB -0.589 17.857 19.000 -0.923 0.000 0.822 115 A HN 0.378 nan 8.150 nan 0.000 0.444 116 D N -1.945 118.422 120.400 -0.056 0.000 2.144 116 D HA -0.139 4.492 4.640 -0.014 0.000 0.199 116 D C 1.662 178.018 176.300 0.093 0.000 0.984 116 D CA 1.461 55.482 54.000 0.035 0.000 0.834 116 D CB -0.393 40.429 40.800 0.037 0.000 0.955 116 D HN 0.613 nan 8.370 nan 0.000 0.465 117 Y N 1.181 121.476 120.300 -0.009 0.000 2.184 117 Y HA -0.151 4.389 4.550 -0.017 0.000 0.290 117 Y C 2.181 178.111 175.900 0.051 0.000 1.129 117 Y CA 0.964 59.073 58.100 0.014 0.000 1.144 117 Y CB -0.307 38.153 38.460 0.000 0.000 0.995 117 Y HN -0.212 nan 8.280 nan 0.000 0.513 118 V N -0.188 119.795 119.914 0.115 0.000 2.307 118 V HA -0.231 3.880 4.120 -0.014 0.000 0.245 118 V C 2.145 178.284 176.094 0.075 0.000 1.045 118 V CA 2.098 64.458 62.300 0.101 0.000 1.024 118 V CB -1.102 30.920 31.823 0.332 0.000 0.651 118 V HN 0.521 nan 8.190 nan 0.000 0.449 119 A N -2.345 120.569 122.820 0.156 0.000 2.508 119 A HA 0.542 4.853 4.320 -0.014 0.000 0.250 119 A C 1.735 179.362 177.584 0.072 0.000 1.208 119 A CA 1.101 53.216 52.037 0.130 0.000 0.960 119 A CB 0.749 19.891 19.000 0.236 0.000 1.099 119 A HN 1.006 nan 8.150 nan 0.000 0.542 120 G N -0.384 108.445 108.800 0.049 0.000 2.317 120 G HA2 -0.150 3.801 3.960 -0.014 0.000 0.227 120 G HA3 -0.150 3.801 3.960 -0.014 0.000 0.227 120 G C 0.417 175.343 174.900 0.044 0.000 1.042 120 G CA 0.636 45.754 45.100 0.030 0.000 0.623 120 G HN 2.068 nan 8.290 nan 0.000 0.509 121 S N -1.377 114.361 115.700 0.063 0.000 2.588 121 S HA 0.626 5.087 4.470 -0.014 0.000 0.269 121 S C 0.385 175.028 174.600 0.073 0.000 1.157 121 S CA 0.347 58.579 58.200 0.054 0.000 0.824 121 S CB 1.492 64.721 63.200 0.047 0.000 1.126 121 S HN 0.229 nan 8.310 nan 0.000 0.464 122 Q N 0.781 120.602 119.800 0.036 0.000 2.096 122 Q HA -0.177 4.154 4.340 -0.014 0.000 0.204 122 Q C 1.910 177.963 176.000 0.090 0.000 0.982 122 Q CA 1.980 57.800 55.803 0.028 0.000 0.850 122 Q CB -0.248 28.473 28.738 -0.028 0.000 0.901 122 Q HN 0.903 nan 8.270 nan 0.000 0.422 123 E N 0.183 120.423 120.200 0.067 0.000 2.077 123 E HA -0.179 4.162 4.350 -0.014 0.000 0.193 123 E C 1.822 178.471 176.600 0.081 0.000 0.989 123 E CA 1.426 57.865 56.400 0.066 0.000 0.800 123 E CB 0.045 29.772 29.700 0.045 0.000 0.746 123 E HN 0.112 nan 8.360 nan 0.000 0.452 124 S N -0.384 115.369 115.700 0.089 0.000 2.387 124 S HA -0.057 4.404 4.470 -0.014 0.000 0.226 124 S C 1.386 176.046 174.600 0.101 0.000 1.026 124 S CA 0.675 58.920 58.200 0.074 0.000 0.972 124 S CB -0.366 62.873 63.200 0.065 0.000 0.814 124 S HN 0.380 nan 8.310 nan 0.000 0.477 125 F N 2.225 122.178 119.950 0.006 0.000 2.126 125 F HA -0.107 4.410 4.527 -0.017 0.000 0.299 125 F C 1.804 177.616 175.800 0.020 0.000 1.096 125 F CA 1.334 59.342 58.000 0.013 0.000 1.255 125 F CB -0.253 38.748 39.000 0.001 0.000 0.997 125 F HN 0.125 nan 8.300 nan 0.000 0.479 126 I N -0.035 120.677 120.570 0.237 0.000 2.286 126 I HA -0.260 3.902 4.170 -0.014 0.000 0.248 126 I C 2.753 178.912 176.117 0.071 0.000 1.115 126 I CA 1.289 62.681 61.300 0.152 0.000 1.392 126 I CB -1.288 36.792 38.000 0.134 0.000 1.065 126 I HN 0.287 nan 8.210 nan 0.000 0.418 127 G N 1.238 110.061 108.800 0.038 0.000 2.476 127 G HA2 -0.240 3.712 3.960 -0.014 0.000 0.218 127 G HA3 -0.240 3.712 3.960 -0.014 0.000 0.218 127 G C 1.688 176.556 174.900 -0.054 0.000 1.164 127 G CA 0.786 45.885 45.100 -0.002 0.000 0.768 127 G HN 0.297 nan 8.290 nan 0.000 0.560 128 L N -0.356 120.794 121.223 -0.121 0.000 2.056 128 L HA -0.039 4.292 4.340 -0.014 0.000 0.207 128 L C 3.121 179.940 176.870 -0.085 0.000 1.078 128 L CA 1.009 55.736 54.840 -0.189 0.000 0.749 128 L CB -0.358 41.533 42.059 -0.281 0.000 0.901 128 L HN 0.243 nan 8.230 nan 0.000 0.433 129 M N -0.404 119.144 119.600 -0.088 0.000 2.080 129 M HA -0.229 4.243 4.480 -0.014 0.000 0.260 129 M C 1.967 178.389 176.300 0.204 0.000 1.068 129 M CA 1.753 57.083 55.300 0.049 0.000 1.109 129 M CB -0.529 32.062 32.600 -0.015 0.000 1.342 129 M HN 0.261 nan 8.290 nan 0.000 0.405 130 N N 0.225 119.027 118.700 0.170 0.000 2.331 130 N HA -0.049 4.682 4.740 -0.014 0.000 0.180 130 N C 1.786 177.331 175.510 0.058 0.000 1.019 130 N CA 1.401 54.542 53.050 0.152 0.000 0.881 130 N CB -0.487 38.062 38.487 0.103 0.000 0.972 130 N HN 0.460 nan 8.380 nan 0.000 0.435 131 G N 0.057 108.844 108.800 -0.023 0.000 2.421 131 G HA2 -0.243 3.708 3.960 -0.014 0.000 0.216 131 G HA3 -0.243 3.708 3.960 -0.014 0.000 0.216 131 G C 1.210 176.049 174.900 -0.102 0.000 1.171 131 G CA 0.523 45.552 45.100 -0.118 0.000 0.775 131 G HN 0.265 nan 8.290 nan 0.000 0.543 132 Y N 1.291 121.601 120.300 0.017 0.000 2.293 132 Y HA 0.144 4.696 4.550 0.004 0.000 0.291 132 Y C 3.091 178.973 175.900 -0.029 0.000 1.137 132 Y CA 0.323 58.426 58.100 0.005 0.000 1.202 132 Y CB -0.535 37.934 38.460 0.015 0.000 0.990 132 Y HN 0.265 nan 8.280 nan 0.000 0.537 133 A N -0.036 122.887 122.820 0.171 0.000 1.883 133 A HA -0.261 4.050 4.320 -0.014 0.000 0.217 133 A C 2.192 179.804 177.584 0.046 0.000 1.186 133 A CA 2.136 54.243 52.037 0.117 0.000 0.624 133 A CB -0.549 18.541 19.000 0.149 0.000 0.822 133 A HN 0.299 nan 8.150 nan 0.000 0.444 134 K N -0.216 120.204 120.400 0.034 0.000 2.057 134 K HA -0.082 4.229 4.320 -0.014 0.000 0.206 134 K C 2.109 178.716 176.600 0.012 0.000 1.050 134 K CA 1.712 58.003 56.287 0.008 0.000 0.935 134 K CB -0.178 32.318 32.500 -0.006 0.000 0.715 134 K HN 0.479 nan 8.250 nan 0.000 0.439 135 K N 0.168 120.587 120.400 0.031 0.000 2.097 135 K HA -0.085 4.226 4.320 -0.014 0.000 0.206 135 K C 1.308 177.936 176.600 0.046 0.000 1.049 135 K CA 1.193 57.509 56.287 0.049 0.000 0.933 135 K CB 0.029 32.592 32.500 0.104 0.000 0.717 135 K HN 0.129 nan 8.250 nan 0.000 0.442 136 L N -0.184 121.060 121.223 0.036 0.000 2.592 136 L HA 0.148 4.479 4.340 -0.014 0.000 0.227 136 L C 0.812 177.671 176.870 -0.018 0.000 1.127 136 L CA 0.317 55.155 54.840 -0.003 0.000 0.884 136 L CB 0.276 42.300 42.059 -0.057 0.000 1.065 136 L HN 0.456 nan 8.230 nan 0.000 0.457 137 G N 1.066 109.859 108.800 -0.012 0.000 2.221 137 G HA2 -0.278 3.674 3.960 -0.014 0.000 0.265 137 G HA3 -0.278 3.674 3.960 -0.014 0.000 0.265 137 G C 0.207 175.090 174.900 -0.029 0.000 1.041 137 G CA -0.230 44.857 45.100 -0.022 0.000 0.807 137 G HN 0.290 nan 8.290 nan 0.000 0.502 138 L N 1.753 122.961 121.223 -0.025 0.000 2.395 138 L HA 0.228 4.559 4.340 -0.014 0.000 0.268 138 L C 2.088 178.930 176.870 -0.047 0.000 1.223 138 L CA 0.296 55.116 54.840 -0.034 0.000 1.093 138 L CB -0.217 41.828 42.059 -0.023 0.000 1.349 138 L HN 0.421 nan 8.230 nan 0.000 0.427 139 T N -2.987 111.539 114.554 -0.047 0.000 3.035 139 T HA -0.047 4.294 4.350 -0.014 0.000 0.268 139 T C 1.174 175.838 174.700 -0.061 0.000 1.109 139 T CA 0.561 62.632 62.100 -0.049 0.000 1.119 139 T CB -0.009 68.830 68.868 -0.047 0.000 0.900 139 T HN 0.390 nan 8.240 nan 0.000 0.503 140 N N 1.232 119.891 118.700 -0.070 0.000 2.275 140 N HA 0.185 4.917 4.740 -0.014 0.000 0.236 140 N C -0.729 174.733 175.510 -0.080 0.000 1.154 140 N CA 0.033 53.035 53.050 -0.080 0.000 0.866 140 N CB 1.053 39.489 38.487 -0.086 0.000 1.093 140 N HN 0.392 nan 8.380 nan 0.000 0.515 141 T N 0.257 114.744 114.554 -0.112 0.000 2.807 141 T HA 0.503 4.844 4.350 -0.014 0.000 0.279 141 T C -0.173 174.365 174.700 -0.271 0.000 0.993 141 T CA -0.216 61.747 62.100 -0.229 0.000 0.970 141 T CB 2.184 70.868 68.868 -0.308 0.000 0.950 141 T HN -0.156 nan 8.240 nan 0.000 0.441 142 T N 3.196 117.544 114.554 -0.344 0.000 2.991 142 T HA 0.537 4.878 4.350 -0.014 0.000 0.303 142 T C -1.057 173.411 174.700 -0.387 0.000 1.015 142 T CA -0.532 61.411 62.100 -0.262 0.000 1.007 142 T CB 0.506 69.350 68.868 -0.039 0.000 1.034 142 T HN 0.313 nan 8.240 nan 0.000 0.446 143 F N 2.147 122.112 119.950 0.024 0.000 2.399 143 F HA 0.452 4.953 4.527 -0.044 0.000 0.334 143 F C 1.513 177.313 175.800 0.000 0.000 1.097 143 F CA -0.710 57.298 58.000 0.014 0.000 1.076 143 F CB 1.453 40.476 39.000 0.039 0.000 1.162 143 F HN 0.396 nan 8.300 nan 0.000 0.495 144 Q N 0.692 120.596 119.800 0.173 0.000 2.164 144 Q HA 0.171 4.502 4.340 -0.014 0.000 0.226 144 Q C -0.110 175.932 176.000 0.069 0.000 0.813 144 Q CA 0.158 56.011 55.803 0.084 0.000 0.978 144 Q CB 1.184 29.930 28.738 0.012 0.000 1.149 144 Q HN 0.830 nan 8.270 nan 0.000 0.489 145 T N -3.289 111.312 114.554 0.079 0.000 2.843 145 T HA 0.358 4.699 4.350 -0.014 0.000 0.302 145 T C 0.759 175.389 174.700 -0.116 0.000 1.232 145 T CA -0.336 61.729 62.100 -0.058 0.000 1.009 145 T CB 1.514 70.371 68.868 -0.018 0.000 1.254 145 T HN -0.134 nan 8.240 nan 0.000 0.504 146 V N -0.361 119.337 119.914 -0.360 0.000 3.541 146 V HA 0.202 4.313 4.120 -0.014 0.000 0.267 146 V C 1.264 177.214 176.094 -0.241 0.000 1.213 146 V CA 1.600 63.740 62.300 -0.268 0.000 1.149 146 V CB -1.568 30.035 31.823 -0.367 0.000 0.822 146 V HN 1.078 nan 8.190 nan 0.000 0.462 147 H N -1.018 118.042 119.070 -0.017 0.000 3.170 147 H HA 0.575 5.122 4.556 -0.015 0.000 0.264 147 H C 1.561 176.892 175.328 0.005 0.000 1.113 147 H CA -0.757 55.278 56.048 -0.022 0.000 1.194 147 H CB -0.055 29.686 29.762 -0.035 0.000 1.553 147 H HN 0.570 nan 8.280 nan 0.000 0.538 148 G N 1.085 110.059 108.800 0.290 0.000 2.147 148 G HA2 -0.285 3.666 3.960 -0.014 0.000 0.244 148 G HA3 -0.285 3.666 3.960 -0.014 0.000 0.244 148 G C -0.103 174.896 174.900 0.165 0.000 1.005 148 G CA 0.128 45.347 45.100 0.199 0.000 0.713 148 G HN 0.401 nan 8.290 nan 0.000 0.515 149 L N 0.930 122.287 121.223 0.225 0.000 2.462 149 L HA 0.201 4.532 4.340 -0.014 0.000 0.272 149 L C 0.687 177.592 176.870 0.058 0.000 1.166 149 L CA -0.411 54.453 54.840 0.040 0.000 0.880 149 L CB 0.197 42.188 42.059 -0.112 0.000 1.142 149 L HN 0.195 nan 8.230 nan 0.000 0.473 150 D N 2.655 123.062 120.400 0.013 0.000 2.629 150 D HA 0.280 4.911 4.640 -0.014 0.000 0.228 150 D C -0.036 176.258 176.300 -0.010 0.000 1.127 150 D CA 1.018 55.014 54.000 -0.006 0.000 0.855 150 D CB 0.535 41.322 40.800 -0.021 0.000 1.180 150 D HN 0.672 nan 8.370 nan 0.000 0.484 151 A N 2.445 125.240 122.820 -0.042 0.000 2.605 151 A HA 0.587 4.898 4.320 -0.014 0.000 0.294 151 A C -2.773 174.741 177.584 -0.117 0.000 1.062 151 A CA -1.298 50.711 52.037 -0.047 0.000 0.682 151 A CB 1.316 20.312 19.000 -0.006 0.000 1.278 151 A HN 0.394 nan 8.150 nan 0.000 0.410 152 P HA 0.382 nan 4.420 nan 0.000 0.271 152 P C 0.834 178.018 177.300 -0.192 0.000 1.220 152 P CA 1.569 64.597 63.100 -0.119 0.000 0.768 152 P CB 0.929 32.600 31.700 -0.048 0.000 0.848 153 G N 1.764 110.355 108.800 -0.348 0.000 2.143 153 G HA2 -0.262 3.690 3.960 -0.014 0.000 0.248 153 G HA3 -0.262 3.690 3.960 -0.014 0.000 0.248 153 G C 0.012 174.538 174.900 -0.624 0.000 0.991 153 G CA 0.066 44.941 45.100 -0.375 0.000 0.689 153 G HN 0.743 nan 8.290 nan 0.000 0.522 154 Q N -0.527 118.771 119.800 -0.836 0.000 2.347 154 Q HA 0.743 5.075 4.340 -0.014 0.000 0.262 154 Q C -0.806 174.753 176.000 -0.735 0.000 0.980 154 Q CA -0.746 54.728 55.803 -0.548 0.000 0.867 154 Q CB 0.540 29.139 28.738 -0.232 0.000 1.242 154 Q HN 0.269 nan 8.270 nan 0.000 0.453 155 F N 0.856 120.739 119.950 -0.112 0.000 2.613 155 F HA 0.628 5.142 4.527 -0.020 0.000 0.310 155 F C 0.009 175.698 175.800 -0.185 0.000 1.085 155 F CA -0.753 57.180 58.000 -0.111 0.000 0.945 155 F CB 2.572 41.512 39.000 -0.100 0.000 1.298 155 F HN 0.511 nan 8.300 nan 0.000 0.455 156 S N -0.257 115.498 115.700 0.091 0.000 2.757 156 S HA 0.809 5.270 4.470 -0.014 0.000 0.285 156 S C -1.310 173.300 174.600 0.017 0.000 1.196 156 S CA -0.180 58.015 58.200 -0.009 0.000 0.856 156 S CB 1.612 64.793 63.200 -0.031 0.000 1.212 156 S HN 0.895 nan 8.310 nan 0.000 0.516 157 T N -1.165 113.387 114.554 -0.003 0.000 2.841 157 T HA 0.771 5.113 4.350 -0.014 0.000 0.296 157 T C 1.114 175.814 174.700 -0.001 0.000 1.166 157 T CA -0.091 62.001 62.100 -0.012 0.000 1.007 157 T CB 0.951 69.792 68.868 -0.044 0.000 1.253 157 T HN 1.002 nan 8.240 nan 0.000 0.511 158 A N 0.829 123.644 122.820 -0.009 0.000 1.883 158 A HA -0.088 4.224 4.320 -0.014 0.000 0.217 158 A C 2.377 179.956 177.584 -0.008 0.000 1.186 158 A CA 2.045 54.083 52.037 0.003 0.000 0.624 158 A CB -0.984 18.012 19.000 -0.007 0.000 0.822 158 A HN 0.935 nan 8.150 nan 0.000 0.444 159 R N -0.556 119.921 120.500 -0.039 0.000 2.096 159 R HA -0.208 4.124 4.340 -0.014 0.000 0.240 159 R C 1.472 177.758 176.300 -0.024 0.000 1.139 159 R CA 2.103 58.179 56.100 -0.040 0.000 0.952 159 R CB -0.390 29.873 30.300 -0.061 0.000 0.854 159 R HN 0.464 nan 8.270 nan 0.000 0.436 160 D N -0.318 120.069 120.400 -0.021 0.000 2.178 160 D HA -0.125 4.506 4.640 -0.014 0.000 0.202 160 D C 1.861 178.170 176.300 0.015 0.000 0.974 160 D CA 0.908 54.900 54.000 -0.013 0.000 0.841 160 D CB -0.001 40.785 40.800 -0.024 0.000 0.953 160 D HN 0.220 nan 8.370 nan 0.000 0.478 161 M N 0.226 119.845 119.600 0.031 0.000 2.175 161 M HA -0.015 4.456 4.480 -0.014 0.000 0.264 161 M C 2.170 178.495 176.300 0.043 0.000 1.063 161 M CA 0.677 56.011 55.300 0.058 0.000 1.119 161 M CB -0.746 31.898 32.600 0.074 0.000 1.377 161 M HN -0.024 nan 8.290 nan 0.000 0.415 162 A N 0.299 123.136 122.820 0.029 0.000 1.929 162 A HA -0.076 4.235 4.320 -0.014 0.000 0.216 162 A C 2.223 179.816 177.584 0.014 0.000 1.176 162 A CA 0.997 53.050 52.037 0.027 0.000 0.628 162 A CB -0.780 18.233 19.000 0.021 0.000 0.816 162 A HN 0.459 nan 8.150 nan 0.000 0.444 163 L N -0.943 120.279 121.223 -0.002 0.000 2.046 163 L HA -0.173 4.158 4.340 -0.014 0.000 0.208 163 L C 2.555 179.412 176.870 -0.020 0.000 1.077 163 L CA 1.196 56.026 54.840 -0.017 0.000 0.747 163 L CB -0.601 41.440 42.059 -0.031 0.000 0.896 163 L HN 0.469 nan 8.230 nan 0.000 0.432 164 L N 0.369 121.584 121.223 -0.014 0.000 2.056 164 L HA -0.022 4.310 4.340 -0.014 0.000 0.207 164 L C 2.370 179.230 176.870 -0.016 0.000 1.078 164 L CA 2.052 56.867 54.840 -0.041 0.000 0.749 164 L CB -1.148 40.915 42.059 0.007 0.000 0.901 164 L HN 0.109 nan 8.230 nan 0.000 0.433 165 G N -0.463 108.345 108.800 0.012 0.000 2.476 165 G HA2 -0.394 3.557 3.960 -0.014 0.000 0.218 165 G HA3 -0.394 3.557 3.960 -0.014 0.000 0.218 165 G C 1.713 176.603 174.900 -0.015 0.000 1.164 165 G CA 1.019 46.120 45.100 0.001 0.000 0.768 165 G HN 0.488 nan 8.290 nan 0.000 0.560 166 K N 0.593 121.016 120.400 0.039 0.000 2.063 166 K HA -0.001 4.311 4.320 -0.014 0.000 0.208 166 K C 2.752 179.447 176.600 0.159 0.000 1.048 166 K CA 1.443 57.814 56.287 0.139 0.000 0.928 166 K CB -0.341 32.210 32.500 0.085 0.000 0.713 166 K HN 0.229 nan 8.250 nan 0.000 0.442 167 A N 1.082 123.954 122.820 0.087 0.000 1.930 167 A HA -0.118 4.193 4.320 -0.014 0.000 0.217 167 A C 2.046 179.804 177.584 0.290 0.000 1.175 167 A CA 1.248 53.379 52.037 0.156 0.000 0.627 167 A CB -0.569 18.435 19.000 0.007 0.000 0.815 167 A HN 0.398 nan 8.150 nan 0.000 0.443 168 L N -0.012 121.341 121.223 0.217 0.000 2.017 168 L HA -0.117 4.215 4.340 -0.014 0.000 0.208 168 L C 2.237 179.145 176.870 0.064 0.000 1.073 168 L CA 1.811 56.795 54.840 0.240 0.000 0.745 168 L CB -0.402 41.748 42.059 0.151 0.000 0.894 168 L HN 0.423 nan 8.230 nan 0.000 0.432 169 I N -1.051 119.437 120.570 -0.137 0.000 2.163 169 I HA -0.356 3.805 4.170 -0.014 0.000 0.243 169 I C 2.521 178.636 176.117 -0.003 0.000 1.085 169 I CA 1.864 62.955 61.300 -0.349 0.000 1.347 169 I CB -0.410 37.191 38.000 -0.665 0.000 1.044 169 I HN 0.459 nan 8.210 nan 0.000 0.408 170 H N 0.365 119.506 119.070 0.118 0.000 2.372 170 H HA -0.109 4.428 4.556 -0.031 0.000 0.301 170 H C 1.662 177.043 175.328 0.087 0.000 1.065 170 H CA 1.734 57.886 56.048 0.173 0.000 1.364 170 H CB 0.190 30.048 29.762 0.160 0.000 1.406 170 H HN 0.187 nan 8.280 nan 0.000 0.521 171 D N -0.144 120.344 120.400 0.147 0.000 2.216 171 D HA -0.012 4.619 4.640 -0.014 0.000 0.208 171 D C 0.419 176.668 176.300 -0.086 0.000 0.960 171 D CA 1.210 55.248 54.000 0.063 0.000 0.861 171 D CB 0.503 41.404 40.800 0.168 0.000 0.985 171 D HN 0.330 nan 8.370 nan 0.000 0.493 172 V N -0.957 118.904 119.914 -0.088 0.000 2.361 172 V HA 0.320 4.432 4.120 -0.014 0.000 0.252 172 V C -2.168 173.920 176.094 -0.009 0.000 0.986 172 V CA -1.269 60.967 62.300 -0.107 0.000 1.033 172 V CB 1.358 33.048 31.823 -0.222 0.000 1.282 172 V HN -0.180 nan 8.190 nan 0.000 0.514 173 P HA -0.111 nan 4.420 nan 0.000 0.218 173 P C 1.305 178.651 177.300 0.077 0.000 1.149 173 P CA 1.350 64.485 63.100 0.059 0.000 0.817 173 P CB 0.558 32.265 31.700 0.011 0.000 0.785 174 E N -0.005 120.211 120.200 0.027 0.000 2.153 174 E HA -0.205 4.136 4.350 -0.014 0.000 0.194 174 E C 2.062 178.678 176.600 0.028 0.000 0.988 174 E CA 0.943 57.353 56.400 0.017 0.000 0.811 174 E CB -0.216 29.481 29.700 -0.005 0.000 0.746 174 E HN 0.257 nan 8.360 nan 0.000 0.466 175 E N 0.261 120.488 120.200 0.045 0.000 2.107 175 E HA -0.182 4.159 4.350 -0.014 0.000 0.191 175 E C 1.719 178.437 176.600 0.197 0.000 0.982 175 E CA 0.742 57.191 56.400 0.083 0.000 0.809 175 E CB -0.232 29.503 29.700 0.058 0.000 0.756 175 E HN 0.281 nan 8.360 nan 0.000 0.459 176 Y N 0.473 120.816 120.300 0.070 0.000 2.224 176 Y HA -0.126 4.430 4.550 0.011 0.000 0.289 176 Y C 2.008 177.990 175.900 0.136 0.000 1.146 176 Y CA 1.586 59.723 58.100 0.062 0.000 1.182 176 Y CB -0.715 37.718 38.460 -0.046 0.000 0.983 176 Y HN 0.115 nan 8.280 nan 0.000 0.524 177 A N 0.271 123.077 122.820 -0.024 0.000 2.032 177 A HA -0.199 4.112 4.320 -0.014 0.000 0.221 177 A C 2.204 179.702 177.584 -0.144 0.000 1.165 177 A CA 1.999 53.975 52.037 -0.102 0.000 0.645 177 A CB -1.216 17.771 19.000 -0.023 0.000 0.807 177 A HN 0.590 nan 8.150 nan 0.000 0.453 178 I N -1.365 119.143 120.570 -0.103 0.000 2.676 178 I HA -0.179 3.983 4.170 -0.014 0.000 0.259 178 I C 1.875 177.851 176.117 -0.235 0.000 1.194 178 I CA 0.879 62.080 61.300 -0.165 0.000 1.473 178 I CB -0.419 37.466 38.000 -0.190 0.000 1.096 178 I HN 0.346 nan 8.210 nan 0.000 0.443 179 H N 1.334 120.217 119.070 -0.313 0.000 2.521 179 H HA -0.104 4.466 4.556 0.023 0.000 0.286 179 H C 1.904 177.080 175.328 -0.254 0.000 1.034 179 H CA 0.920 56.795 56.048 -0.288 0.000 1.278 179 H CB -0.118 29.424 29.762 -0.367 0.000 1.386 179 H HN 0.412 nan 8.280 nan 0.000 0.567 180 K N 0.780 121.068 120.400 -0.187 0.000 2.444 180 K HA 0.043 4.355 4.320 -0.014 0.000 0.193 180 K C -0.127 176.373 176.600 -0.167 0.000 1.024 180 K CA 0.132 56.321 56.287 -0.162 0.000 1.077 180 K CB 0.401 32.804 32.500 -0.162 0.000 0.833 180 K HN 0.213 nan 8.250 nan 0.000 0.517 181 E N 2.013 122.126 120.200 -0.145 0.000 2.351 181 E HA 0.027 4.368 4.350 -0.014 0.000 0.266 181 E C 0.003 176.546 176.600 -0.095 0.000 1.031 181 E CA -0.077 56.253 56.400 -0.116 0.000 0.911 181 E CB 1.092 30.737 29.700 -0.091 0.000 0.986 181 E HN 0.193 nan 8.360 nan 0.000 0.446 182 K N 2.348 122.672 120.400 -0.128 0.000 2.296 182 K HA -0.068 4.243 4.320 -0.014 0.000 0.200 182 K C 0.406 177.087 176.600 0.136 0.000 1.048 182 K CA 0.806 57.021 56.287 -0.119 0.000 0.966 182 K CB 0.198 32.511 32.500 -0.311 0.000 0.754 182 K HN 0.579 nan 8.250 nan 0.000 0.466 183 E N -0.285 119.993 120.200 0.129 0.000 2.430 183 E HA 0.360 4.701 4.350 -0.014 0.000 0.279 183 E C -1.073 175.700 176.600 0.288 0.000 1.003 183 E CA -1.080 55.444 56.400 0.206 0.000 0.801 183 E CB 1.326 31.123 29.700 0.163 0.000 1.313 183 E HN -0.081 nan 8.360 nan 0.000 0.459 184 F N -1.203 118.776 119.950 0.047 0.000 2.662 184 F HA 0.704 5.226 4.527 -0.009 0.000 0.312 184 F C -1.562 174.287 175.800 0.081 0.000 1.113 184 F CA -0.927 57.101 58.000 0.047 0.000 0.951 184 F CB 1.823 40.839 39.000 0.026 0.000 1.344 184 F HN 0.311 nan 8.300 nan 0.000 0.462 185 T N 3.233 117.632 114.554 -0.258 0.000 2.779 185 T HA 0.609 4.950 4.350 -0.014 0.000 0.280 185 T C -1.849 172.689 174.700 -0.269 0.000 0.987 185 T CA -0.151 61.779 62.100 -0.283 0.000 0.966 185 T CB 0.754 69.572 68.868 -0.084 0.000 0.933 185 T HN 0.572 nan 8.240 nan 0.000 0.442 186 F N 3.282 122.945 119.950 -0.478 0.000 2.569 186 F HA 0.448 4.968 4.527 -0.011 0.000 0.312 186 F C 0.697 176.411 175.800 -0.144 0.000 1.109 186 F CA -1.215 56.624 58.000 -0.269 0.000 0.919 186 F CB 1.272 40.108 39.000 -0.274 0.000 1.211 186 F HN 0.775 nan 8.300 nan 0.000 0.446 187 N N 4.175 122.393 118.700 -0.804 0.000 2.716 187 N HA -0.299 4.432 4.740 -0.014 0.000 0.250 187 N C -0.107 175.251 175.510 -0.253 0.000 1.033 187 N CA 1.106 53.837 53.050 -0.532 0.000 0.727 187 N CB -0.471 37.735 38.487 -0.469 0.000 0.950 187 N HN 0.802 nan 8.380 nan 0.000 0.541 188 K N -1.854 118.425 120.400 -0.201 0.000 3.274 188 K HA -0.166 4.146 4.320 -0.014 0.000 0.300 188 K C -0.464 176.079 176.600 -0.096 0.000 1.230 188 K CA 1.579 57.791 56.287 -0.124 0.000 0.884 188 K CB -1.217 31.220 32.500 -0.106 0.000 1.242 188 K HN 0.526 nan 8.250 nan 0.000 0.467 189 I N 0.676 121.186 120.570 -0.100 0.000 2.474 189 I HA 0.273 4.435 4.170 -0.014 0.000 0.294 189 I C 0.464 176.527 176.117 -0.089 0.000 1.005 189 I CA -1.012 60.247 61.300 -0.068 0.000 1.113 189 I CB 1.752 39.729 38.000 -0.039 0.000 1.289 189 I HN -0.009 nan 8.210 nan 0.000 0.436 190 R N 4.814 125.279 120.500 -0.059 0.000 2.442 190 R HA 0.224 4.556 4.340 -0.014 0.000 0.291 190 R C -0.797 175.480 176.300 -0.039 0.000 1.069 190 R CA -0.388 55.679 56.100 -0.054 0.000 1.022 190 R CB 0.689 30.987 30.300 -0.002 0.000 0.976 190 R HN 0.483 nan 8.270 nan 0.000 0.443 191 Q N 4.346 124.108 119.800 -0.063 0.000 2.341 191 Q HA 0.353 4.684 4.340 -0.014 0.000 0.268 191 Q C -2.326 173.765 176.000 0.153 0.000 1.013 191 Q CA -2.186 53.638 55.803 0.035 0.000 0.798 191 Q CB 2.050 30.791 28.738 0.004 0.000 1.253 191 Q HN 0.412 nan 8.270 nan 0.000 0.457 192 P HA 0.102 nan 4.420 nan 0.000 0.281 192 P C -0.244 177.197 177.300 0.234 0.000 1.249 192 P CA -0.565 62.658 63.100 0.206 0.000 0.810 192 P CB 1.002 32.790 31.700 0.146 0.000 1.008 193 N N 1.977 120.858 118.700 0.302 0.000 2.470 193 N HA 0.046 4.777 4.740 -0.014 0.000 0.268 193 N C 0.956 176.657 175.510 0.319 0.000 1.136 193 N CA 0.017 53.230 53.050 0.272 0.000 0.961 193 N CB 0.353 38.969 38.487 0.215 0.000 1.067 193 N HN 0.258 nan 8.380 nan 0.000 0.468 194 R N 1.647 122.291 120.500 0.240 0.000 2.323 194 R HA -0.003 4.328 4.340 -0.014 0.000 0.198 194 R C 0.064 176.558 176.300 0.324 0.000 0.988 194 R CA 0.042 56.283 56.100 0.234 0.000 1.041 194 R CB -0.054 30.371 30.300 0.209 0.000 0.926 194 R HN 0.433 nan 8.270 nan 0.000 0.476 195 N N 2.024 120.934 118.700 0.350 0.000 2.549 195 N HA -0.029 4.702 4.740 -0.014 0.000 0.267 195 N C 0.670 176.344 175.510 0.273 0.000 1.182 195 N CA 0.060 53.343 53.050 0.388 0.000 1.019 195 N CB 0.395 39.067 38.487 0.309 0.000 1.380 195 N HN -0.056 nan 8.380 nan 0.000 0.505 196 R N 2.406 122.783 120.500 -0.205 0.000 2.211 196 R HA -0.095 4.236 4.340 -0.014 0.000 0.240 196 R C 1.319 177.568 176.300 -0.085 0.000 1.144 196 R CA 0.701 56.574 56.100 -0.377 0.000 0.992 196 R CB -0.459 29.169 30.300 -1.120 0.000 0.869 196 R HN 0.592 nan 8.270 nan 0.000 0.462 197 L N 0.510 121.696 121.223 -0.062 0.000 2.376 197 L HA -0.044 4.288 4.340 -0.014 0.000 0.219 197 L C 2.106 179.037 176.870 0.101 0.000 1.133 197 L CA 0.355 55.247 54.840 0.086 0.000 0.816 197 L CB -0.402 41.774 42.059 0.195 0.000 0.933 197 L HN 0.100 nan 8.230 nan 0.000 0.449 198 L N -1.271 120.001 121.223 0.083 0.000 2.187 198 L HA -0.216 4.115 4.340 -0.014 0.000 0.213 198 L C 1.934 178.654 176.870 -0.250 0.000 1.100 198 L CA 1.267 56.015 54.840 -0.154 0.000 0.765 198 L CB -0.449 41.360 42.059 -0.417 0.000 0.904 198 L HN 0.505 nan 8.230 nan 0.000 0.437 199 W N -0.253 121.016 121.300 -0.053 0.000 3.353 199 W HA 0.178 4.829 4.660 -0.015 0.000 0.304 199 W C 1.282 177.775 176.519 -0.043 0.000 1.273 199 W CA -0.315 56.999 57.345 -0.051 0.000 1.773 199 W CB 0.035 29.452 29.460 -0.072 0.000 1.095 199 W HN 0.012 nan 8.180 nan 0.000 0.676 200 S N 0.387 116.163 115.700 0.125 0.000 2.549 200 S HA 0.041 4.502 4.470 -0.014 0.000 0.279 200 S C 1.242 175.878 174.600 0.061 0.000 1.321 200 S CA 0.132 58.385 58.200 0.089 0.000 1.054 200 S CB 1.761 65.011 63.200 0.083 0.000 0.899 200 S HN 0.024 nan 8.310 nan 0.000 0.497 201 S N 3.341 119.074 115.700 0.055 0.000 2.446 201 S HA 0.053 4.515 4.470 -0.014 0.000 0.225 201 S C 1.378 175.994 174.600 0.027 0.000 1.016 201 S CA 0.491 58.712 58.200 0.036 0.000 0.943 201 S CB -0.364 62.856 63.200 0.034 0.000 0.786 201 S HN 0.819 nan 8.310 nan 0.000 0.508 202 N N 0.693 119.418 118.700 0.041 0.000 2.353 202 N HA 0.291 5.023 4.740 -0.014 0.000 0.185 202 N C -0.371 175.168 175.510 0.048 0.000 1.098 202 N CA 0.317 53.393 53.050 0.043 0.000 0.872 202 N CB 0.451 38.974 38.487 0.060 0.000 0.970 202 N HN 0.377 nan 8.380 nan 0.000 0.467 203 L N -0.030 121.225 121.223 0.052 0.000 2.466 203 L HA 0.305 4.636 4.340 -0.014 0.000 0.258 203 L C -0.576 176.313 176.870 0.030 0.000 0.973 203 L CA -0.929 53.947 54.840 0.061 0.000 0.826 203 L CB 2.279 44.422 42.059 0.141 0.000 1.372 203 L HN -0.252 nan 8.230 nan 0.000 0.409 204 N N 1.669 120.371 118.700 0.002 0.000 2.719 204 N HA 0.301 5.032 4.740 -0.014 0.000 0.243 204 N C -1.265 174.273 175.510 0.047 0.000 1.104 204 N CA -0.092 52.955 53.050 -0.004 0.000 0.981 204 N CB 0.607 39.066 38.487 -0.046 0.000 1.290 204 N HN 0.271 nan 8.380 nan 0.000 0.513 205 V N 2.836 122.784 119.914 0.057 0.000 2.427 205 V HA 0.248 4.360 4.120 -0.014 0.000 0.286 205 V C 0.252 176.377 176.094 0.053 0.000 1.034 205 V CA -0.533 61.824 62.300 0.095 0.000 0.893 205 V CB 1.662 33.557 31.823 0.119 0.000 0.982 205 V HN 0.662 nan 8.190 nan 0.000 0.452 206 D N 1.955 122.407 120.400 0.086 0.000 2.563 206 D HA 0.441 5.072 4.640 -0.014 0.000 0.237 206 D C 0.234 176.533 176.300 -0.002 0.000 1.282 206 D CA 0.193 54.206 54.000 0.022 0.000 0.816 206 D CB 0.994 41.812 40.800 0.029 0.000 1.066 206 D HN 0.711 nan 8.370 nan 0.000 0.501 207 G N -0.024 108.845 108.800 0.115 0.000 2.441 207 G HA2 0.425 4.376 3.960 -0.014 0.000 0.294 207 G HA3 0.425 4.376 3.960 -0.014 0.000 0.294 207 G C -0.093 174.928 174.900 0.201 0.000 1.393 207 G CA -0.236 44.953 45.100 0.148 0.000 0.796 207 G HN 0.169 nan 8.290 nan 0.000 0.494 208 M N -2.128 117.598 119.600 0.210 0.000 1.999 208 M HA 0.636 5.108 4.480 -0.014 0.000 0.312 208 M C -0.054 176.407 176.300 0.267 0.000 0.982 208 M CA 0.075 55.508 55.300 0.221 0.000 1.125 208 M CB 1.291 33.999 32.600 0.181 0.000 2.053 208 M HN 0.341 nan 8.290 nan 0.000 0.703 209 K N 2.022 122.551 120.400 0.215 0.000 2.569 209 K HA 0.419 4.731 4.320 -0.014 0.000 0.259 209 K C -1.111 175.587 176.600 0.164 0.000 0.932 209 K CA -0.050 56.355 56.287 0.197 0.000 0.833 209 K CB 1.964 34.576 32.500 0.187 0.000 1.340 209 K HN 0.332 nan 8.250 nan 0.000 0.429 210 T N -0.168 114.482 114.554 0.160 0.000 2.944 210 T HA 0.934 5.275 4.350 -0.014 0.000 0.284 210 T C 0.263 175.025 174.700 0.103 0.000 1.010 210 T CA -0.261 61.913 62.100 0.123 0.000 1.025 210 T CB 1.725 70.690 68.868 0.162 0.000 1.079 210 T HN 0.702 nan 8.240 nan 0.000 0.516 211 G N 0.189 109.036 108.800 0.079 0.000 2.550 211 G HA2 0.642 4.593 3.960 -0.014 0.000 0.293 211 G HA3 0.642 4.593 3.960 -0.014 0.000 0.293 211 G C -0.875 174.043 174.900 0.030 0.000 1.402 211 G CA -0.358 44.780 45.100 0.063 0.000 0.784 211 G HN 1.188 nan 8.290 nan 0.000 0.482 212 T N -2.705 111.838 114.554 -0.019 0.000 2.906 212 T HA 0.778 5.119 4.350 -0.014 0.000 0.295 212 T C -0.798 173.856 174.700 -0.076 0.000 1.075 212 T CA -0.712 61.318 62.100 -0.117 0.000 1.005 212 T CB 2.118 70.852 68.868 -0.223 0.000 1.136 212 T HN 0.573 nan 8.240 nan 0.000 0.498 213 T N 1.737 116.233 114.554 -0.097 0.000 2.841 213 T HA 0.681 5.023 4.350 -0.014 0.000 0.285 213 T C 0.244 174.901 174.700 -0.073 0.000 0.991 213 T CA -0.535 61.533 62.100 -0.053 0.000 0.966 213 T CB 1.125 69.984 68.868 -0.015 0.000 0.962 213 T HN 1.069 nan 8.240 nan 0.000 0.438 214 A N 2.048 124.835 122.820 -0.055 0.000 2.553 214 A HA 0.474 4.785 4.320 -0.014 0.000 0.258 214 A C 1.610 179.172 177.584 -0.036 0.000 1.069 214 A CA 0.732 52.738 52.037 -0.051 0.000 0.767 214 A CB -1.038 17.942 19.000 -0.033 0.000 0.997 214 A HN 1.710 nan 8.150 nan 0.000 0.512 215 G N 0.848 109.622 108.800 -0.044 0.000 2.195 215 G HA2 0.016 3.967 3.960 -0.014 0.000 0.246 215 G HA3 0.016 3.967 3.960 -0.014 0.000 0.246 215 G C 0.878 175.767 174.900 -0.018 0.000 0.984 215 G CA 1.040 46.127 45.100 -0.023 0.000 0.633 215 G HN 1.985 nan 8.290 nan 0.000 0.525 216 A N -1.296 121.506 122.820 -0.031 0.000 1.997 216 A HA 0.780 5.091 4.320 -0.014 0.000 0.198 216 A C 1.989 179.558 177.584 -0.025 0.000 1.449 216 A CA 2.021 54.050 52.037 -0.013 0.000 0.908 216 A CB 0.242 19.244 19.000 0.003 0.000 0.984 216 A HN 2.463 nan 8.150 nan 0.000 0.487 217 G N -1.674 107.070 108.800 -0.095 0.000 2.217 217 G HA2 0.154 4.105 3.960 -0.014 0.000 0.173 217 G HA3 0.154 4.105 3.960 -0.014 0.000 0.173 217 G C -1.221 173.509 174.900 -0.283 0.000 1.324 217 G CA -0.375 44.630 45.100 -0.159 0.000 1.225 217 G HN 0.395 nan 8.290 nan 0.000 0.494 218 Y N 1.997 122.286 120.300 -0.019 0.000 2.360 218 Y HA 0.675 5.214 4.550 -0.017 0.000 0.337 218 Y C 0.366 176.229 175.900 -0.061 0.000 1.039 218 Y CA -0.777 57.296 58.100 -0.046 0.000 1.109 218 Y CB 1.875 40.289 38.460 -0.076 0.000 1.201 218 Y HN 0.456 nan 8.280 nan 0.000 0.458 219 N N 2.557 121.296 118.700 0.065 0.000 2.335 219 N HA 0.627 5.358 4.740 -0.014 0.000 0.304 219 N C -1.918 173.585 175.510 -0.012 0.000 1.135 219 N CA -0.724 52.344 53.050 0.029 0.000 0.817 219 N CB 2.590 41.102 38.487 0.041 0.000 1.294 219 N HN 0.491 nan 8.380 nan 0.000 0.497 220 L N 0.596 121.816 121.223 -0.004 0.000 2.493 220 L HA 0.492 4.823 4.340 -0.014 0.000 0.265 220 L C -1.646 175.266 176.870 0.070 0.000 0.954 220 L CA -0.655 54.190 54.840 0.010 0.000 0.844 220 L CB 1.909 43.929 42.059 -0.065 0.000 1.302 220 L HN 0.267 nan 8.230 nan 0.000 0.405 221 V N 4.586 124.561 119.914 0.100 0.000 2.370 221 V HA 0.926 5.037 4.120 -0.014 0.000 0.283 221 V C 0.264 176.441 176.094 0.138 0.000 1.023 221 V CA 0.045 62.412 62.300 0.111 0.000 0.857 221 V CB 0.917 32.806 31.823 0.109 0.000 0.985 221 V HN 0.974 nan 8.190 nan 0.000 0.443 222 A N 3.879 126.782 122.820 0.138 0.000 2.423 222 A HA 0.952 5.263 4.320 -0.014 0.000 0.304 222 A C -0.477 177.195 177.584 0.147 0.000 1.104 222 A CA -0.599 51.536 52.037 0.164 0.000 0.757 222 A CB 2.265 21.373 19.000 0.180 0.000 1.313 222 A HN 0.743 nan 8.150 nan 0.000 0.423 223 S N -0.943 114.859 115.700 0.170 0.000 2.546 223 S HA 0.821 5.282 4.470 -0.014 0.000 0.274 223 S C -0.871 173.837 174.600 0.180 0.000 1.121 223 S CA 0.244 58.530 58.200 0.144 0.000 0.887 223 S CB 1.597 64.851 63.200 0.089 0.000 1.094 223 S HN 2.241 nan 8.310 nan 0.000 0.474 224 A N 1.844 124.790 122.820 0.211 0.000 2.556 224 A HA 0.906 5.217 4.320 -0.014 0.000 0.294 224 A C -0.433 177.374 177.584 0.371 0.000 1.091 224 A CA -0.580 51.627 52.037 0.284 0.000 0.704 224 A CB 1.564 20.803 19.000 0.398 0.000 1.300 224 A HN 1.150 nan 8.150 nan 0.000 0.406 225 T N -0.736 113.932 114.554 0.189 0.000 2.893 225 T HA 0.774 5.115 4.350 -0.014 0.000 0.291 225 T C -0.919 173.587 174.700 -0.324 0.000 1.028 225 T CA -0.667 61.472 62.100 0.065 0.000 0.995 225 T CB 1.928 70.807 68.868 0.018 0.000 1.051 225 T HN 0.690 nan 8.240 nan 0.000 0.470 226 Q N 1.113 120.612 119.800 -0.501 0.000 2.296 226 Q HA 0.458 4.789 4.340 -0.014 0.000 0.254 226 Q C 0.653 176.484 176.000 -0.280 0.000 0.936 226 Q CA 0.439 55.865 55.803 -0.627 0.000 0.834 226 Q CB 1.301 29.218 28.738 -1.370 0.000 1.340 226 Q HN 1.376 nan 8.270 nan 0.000 0.428 227 G N 4.819 113.520 108.800 -0.166 0.000 2.651 227 G HA2 -0.385 3.566 3.960 -0.014 0.000 0.315 227 G HA3 -0.385 3.566 3.960 -0.014 0.000 0.315 227 G C 0.334 175.219 174.900 -0.026 0.000 1.258 227 G CA 0.829 45.885 45.100 -0.074 0.000 1.002 227 G HN 0.683 nan 8.290 nan 0.000 0.551 228 D N 0.773 121.180 120.400 0.012 0.000 2.355 228 D HA 0.238 4.869 4.640 -0.014 0.000 0.218 228 D C 1.308 177.662 176.300 0.090 0.000 1.004 228 D CA 0.530 54.556 54.000 0.044 0.000 0.880 228 D CB 0.120 40.946 40.800 0.045 0.000 0.911 228 D HN 0.360 nan 8.370 nan 0.000 0.528 229 M N 0.475 120.148 119.600 0.123 0.000 2.363 229 M HA 0.311 4.782 4.480 -0.014 0.000 0.343 229 M C -0.534 175.954 176.300 0.313 0.000 1.165 229 M CA -0.623 54.820 55.300 0.238 0.000 1.046 229 M CB 1.787 34.601 32.600 0.356 0.000 1.648 229 M HN -0.294 nan 8.290 nan 0.000 0.452 230 R N 4.695 125.365 120.500 0.283 0.000 2.575 230 R HA 0.686 5.017 4.340 -0.014 0.000 0.293 230 R C -2.176 174.230 176.300 0.177 0.000 0.983 230 R CA -0.563 55.682 56.100 0.242 0.000 0.887 230 R CB 1.351 31.671 30.300 0.032 0.000 1.184 230 R HN 0.781 nan 8.270 nan 0.000 0.445 231 L N 4.989 126.272 121.223 0.100 0.000 2.333 231 L HA 0.614 4.946 4.340 -0.014 0.000 0.269 231 L C -0.441 176.440 176.870 0.018 0.000 1.010 231 L CA -1.135 53.674 54.840 -0.053 0.000 0.818 231 L CB 2.188 44.028 42.059 -0.365 0.000 1.306 231 L HN 0.563 nan 8.230 nan 0.000 0.430 232 I N 1.109 121.693 120.570 0.022 0.000 2.465 232 I HA 0.348 4.509 4.170 -0.014 0.000 0.291 232 I C -0.304 175.844 176.117 0.052 0.000 1.014 232 I CA -0.190 61.138 61.300 0.047 0.000 1.093 232 I CB 2.166 40.197 38.000 0.052 0.000 1.267 232 I HN 0.612 nan 8.210 nan 0.000 0.431 233 S N 5.397 121.143 115.700 0.076 0.000 2.532 233 S HA 0.852 5.313 4.470 -0.014 0.000 0.301 233 S C -0.840 173.821 174.600 0.102 0.000 1.083 233 S CA -0.700 57.556 58.200 0.094 0.000 1.025 233 S CB 2.197 65.458 63.200 0.102 0.000 1.056 233 S HN 0.280 nan 8.310 nan 0.000 0.494 234 V N 2.139 122.123 119.914 0.116 0.000 2.588 234 V HA 0.616 4.727 4.120 -0.014 0.000 0.304 234 V C -0.911 175.273 176.094 0.150 0.000 1.042 234 V CA -0.644 61.723 62.300 0.112 0.000 0.877 234 V CB 1.824 33.701 31.823 0.091 0.000 0.996 234 V HN 0.862 nan 8.190 nan 0.000 0.425 235 V N 6.230 126.215 119.914 0.119 0.000 2.483 235 V HA 0.538 4.650 4.120 -0.014 0.000 0.297 235 V C -0.520 175.633 176.094 0.099 0.000 1.027 235 V CA -0.388 61.988 62.300 0.126 0.000 0.855 235 V CB 1.776 33.633 31.823 0.057 0.000 0.995 235 V HN 0.648 nan 8.190 nan 0.000 0.424 236 L N 3.642 124.940 121.223 0.126 0.000 2.346 236 L HA 0.740 5.071 4.340 -0.014 0.000 0.276 236 L C 1.030 177.955 176.870 0.092 0.000 1.006 236 L CA -0.516 54.379 54.840 0.091 0.000 0.817 236 L CB 1.862 43.970 42.059 0.082 0.000 1.272 236 L HN 0.870 nan 8.230 nan 0.000 0.421 237 G N 2.090 110.929 108.800 0.065 0.000 2.272 237 G HA2 -0.177 3.775 3.960 -0.014 0.000 0.280 237 G HA3 -0.177 3.775 3.960 -0.014 0.000 0.280 237 G C 0.307 175.256 174.900 0.081 0.000 1.067 237 G CA 0.148 45.284 45.100 0.059 0.000 0.902 237 G HN 0.936 nan 8.290 nan 0.000 0.500 238 A N -0.514 122.364 122.820 0.096 0.000 2.425 238 A HA 0.648 4.959 4.320 -0.014 0.000 0.242 238 A C 1.409 179.097 177.584 0.174 0.000 1.077 238 A CA 1.062 53.155 52.037 0.093 0.000 0.781 238 A CB 0.451 19.480 19.000 0.049 0.000 1.020 238 A HN 0.634 nan 8.150 nan 0.000 0.494 239 K N -0.125 120.349 120.400 0.123 0.000 2.167 239 K HA -0.033 4.278 4.320 -0.014 0.000 0.203 239 K C 0.581 177.309 176.600 0.212 0.000 1.052 239 K CA 1.604 57.983 56.287 0.154 0.000 0.956 239 K CB -0.037 32.509 32.500 0.076 0.000 0.735 239 K HN 0.906 nan 8.250 nan 0.000 0.451 240 T N -3.011 111.567 114.554 0.039 0.000 2.901 240 T HA 0.132 4.473 4.350 -0.014 0.000 0.293 240 T C 0.368 174.744 174.700 -0.541 0.000 1.084 240 T CA -0.776 61.168 62.100 -0.259 0.000 1.008 240 T CB 1.580 70.359 68.868 -0.150 0.000 1.170 240 T HN -0.012 nan 8.240 nan 0.000 0.509 241 D N 0.193 120.069 120.400 -0.874 0.000 2.133 241 D HA -0.188 4.444 4.640 -0.014 0.000 0.195 241 D C 2.101 178.322 176.300 -0.132 0.000 0.997 241 D CA 1.649 55.337 54.000 -0.519 0.000 0.840 241 D CB 0.019 40.627 40.800 -0.320 0.000 0.947 241 D HN 0.621 nan 8.370 nan 0.000 0.452 242 R N -0.120 120.333 120.500 -0.077 0.000 2.081 242 R HA -0.083 4.248 4.340 -0.014 0.000 0.235 242 R C 2.395 178.715 176.300 0.033 0.000 1.131 242 R CA 1.285 57.407 56.100 0.037 0.000 0.960 242 R CB -0.299 30.003 30.300 0.003 0.000 0.856 242 R HN 0.286 nan 8.270 nan 0.000 0.436 243 I N 0.626 121.176 120.570 -0.034 0.000 2.353 243 I HA -0.223 3.938 4.170 -0.014 0.000 0.248 243 I C 2.814 178.905 176.117 -0.043 0.000 1.119 243 I CA 0.777 62.061 61.300 -0.027 0.000 1.417 243 I CB -0.409 37.573 38.000 -0.030 0.000 1.078 243 I HN 0.235 nan 8.210 nan 0.000 0.421 244 R N 1.327 121.764 120.500 -0.105 0.000 2.096 244 R HA -0.228 4.104 4.340 -0.014 0.000 0.240 244 R C 2.256 178.418 176.300 -0.229 0.000 1.139 244 R CA 2.162 58.145 56.100 -0.196 0.000 0.952 244 R CB -0.451 29.651 30.300 -0.330 0.000 0.854 244 R HN 0.222 nan 8.270 nan 0.000 0.436 245 F N 0.808 120.770 119.950 0.021 0.000 2.234 245 F HA -0.008 4.509 4.527 -0.017 0.000 0.296 245 F C 2.467 178.286 175.800 0.032 0.000 1.089 245 F CA 0.830 58.853 58.000 0.038 0.000 1.343 245 F CB -0.643 38.380 39.000 0.038 0.000 1.040 245 F HN 0.106 nan 8.300 nan 0.000 0.498 246 N N 0.272 119.077 118.700 0.174 0.000 2.142 246 N HA -0.135 4.596 4.740 -0.014 0.000 0.186 246 N C 1.741 177.284 175.510 0.056 0.000 1.023 246 N CA 1.033 54.147 53.050 0.106 0.000 0.852 246 N CB -0.044 38.480 38.487 0.062 0.000 0.998 246 N HN 0.197 nan 8.380 nan 0.000 0.424 247 E N 0.432 120.637 120.200 0.009 0.000 2.152 247 E HA 0.010 4.351 4.350 -0.014 0.000 0.192 247 E C 1.971 178.557 176.600 -0.023 0.000 0.983 247 E CA 0.360 56.726 56.400 -0.056 0.000 0.818 247 E CB -0.230 29.399 29.700 -0.118 0.000 0.758 247 E HN 0.216 nan 8.360 nan 0.000 0.467 248 S N 1.100 116.822 115.700 0.035 0.000 2.356 248 S HA -0.182 4.279 4.470 -0.014 0.000 0.223 248 S C 1.963 176.632 174.600 0.115 0.000 1.032 248 S CA 1.359 59.608 58.200 0.081 0.000 1.005 248 S CB -0.141 63.130 63.200 0.119 0.000 0.867 248 S HN 0.375 nan 8.310 nan 0.000 0.449 249 E N 1.433 121.715 120.200 0.137 0.000 2.110 249 E HA -0.207 4.134 4.350 -0.014 0.000 0.193 249 E C 2.094 178.777 176.600 0.138 0.000 0.988 249 E CA 1.096 57.586 56.400 0.150 0.000 0.804 249 E CB -0.099 29.689 29.700 0.146 0.000 0.745 249 E HN 0.423 nan 8.360 nan 0.000 0.458 250 K N 0.460 120.919 120.400 0.098 0.000 2.032 250 K HA -0.176 4.135 4.320 -0.014 0.000 0.209 250 K C 2.266 178.954 176.600 0.148 0.000 1.048 250 K CA 1.360 57.705 56.287 0.097 0.000 0.927 250 K CB -0.125 32.383 32.500 0.013 0.000 0.712 250 K HN 0.202 nan 8.250 nan 0.000 0.441 251 L N 0.852 122.133 121.223 0.096 0.000 2.027 251 L HA -0.184 4.147 4.340 -0.014 0.000 0.206 251 L C 2.444 179.451 176.870 0.230 0.000 1.074 251 L CA 1.012 55.935 54.840 0.140 0.000 0.745 251 L CB -0.325 41.773 42.059 0.065 0.000 0.898 251 L HN 0.239 nan 8.230 nan 0.000 0.433 252 L N -1.012 120.303 121.223 0.153 0.000 2.042 252 L HA -0.230 4.101 4.340 -0.014 0.000 0.210 252 L C 2.562 179.534 176.870 0.169 0.000 1.076 252 L CA 1.560 56.452 54.840 0.086 0.000 0.749 252 L CB -0.917 41.233 42.059 0.151 0.000 0.893 252 L HN 0.255 nan 8.230 nan 0.000 0.432 253 T N -1.485 113.230 114.554 0.269 0.000 2.777 253 T HA -0.234 4.107 4.350 -0.014 0.000 0.266 253 T C 1.359 176.248 174.700 0.316 0.000 1.040 253 T CA 1.373 63.654 62.100 0.302 0.000 1.141 253 T CB -0.337 68.672 68.868 0.234 0.000 0.868 253 T HN 0.502 nan 8.240 nan 0.000 0.444 254 W N 1.908 123.318 121.300 0.183 0.000 2.335 254 W HA -0.064 4.584 4.660 -0.020 0.000 0.311 254 W C 2.402 179.151 176.519 0.384 0.000 1.213 254 W CA 1.357 58.891 57.345 0.315 0.000 1.274 254 W CB -0.869 28.757 29.460 0.277 0.000 1.148 254 W HN 0.239 nan 8.180 nan 0.000 0.498 255 G N -0.042 108.935 108.800 0.295 0.000 2.476 255 G HA2 -0.330 3.621 3.960 -0.014 0.000 0.218 255 G HA3 -0.330 3.621 3.960 -0.014 0.000 0.218 255 G C 1.315 176.225 174.900 0.017 0.000 1.164 255 G CA 1.236 46.352 45.100 0.027 0.000 0.768 255 G HN 0.279 nan 8.290 nan 0.000 0.560 256 F N 0.434 120.438 119.950 0.090 0.000 2.325 256 F HA 0.180 4.697 4.527 -0.015 0.000 0.299 256 F C 2.636 178.380 175.800 -0.093 0.000 1.090 256 F CA 0.834 58.847 58.000 0.021 0.000 1.392 256 F CB -0.281 38.730 39.000 0.018 0.000 1.053 256 F HN 0.047 nan 8.300 nan 0.000 0.521 257 R N -0.783 119.701 120.500 -0.026 0.000 2.090 257 R HA -0.102 4.229 4.340 -0.014 0.000 0.228 257 R C 1.294 177.197 176.300 -0.662 0.000 1.110 257 R CA 1.557 57.405 56.100 -0.420 0.000 0.973 257 R CB -0.211 29.659 30.300 -0.718 0.000 0.869 257 R HN 0.215 nan 8.270 nan 0.000 0.440 258 F N -1.713 118.044 119.950 -0.322 0.000 2.706 258 F HA 0.337 4.854 4.527 -0.017 0.000 0.308 258 F C -0.207 175.076 175.800 -0.862 0.000 1.095 258 F CA -0.235 57.377 58.000 -0.647 0.000 1.244 258 F CB 0.616 39.014 39.000 -1.003 0.000 1.063 258 F HN -0.181 nan 8.300 nan 0.000 0.582 259 F N 0.241 120.142 119.950 -0.082 0.000 2.603 259 F HA 0.482 5.004 4.527 -0.008 0.000 0.317 259 F C -0.217 175.570 175.800 -0.022 0.000 1.066 259 F CA -1.279 56.680 58.000 -0.069 0.000 0.941 259 F CB 1.626 40.552 39.000 -0.123 0.000 1.291 259 F HN -0.185 nan 8.300 nan 0.000 0.472 260 E N -0.391 119.922 120.200 0.188 0.000 2.383 260 E HA 0.634 4.975 4.350 -0.014 0.000 0.275 260 E C -1.797 174.860 176.600 0.096 0.000 0.918 260 E CA -1.024 55.447 56.400 0.119 0.000 0.764 260 E CB 2.269 32.007 29.700 0.063 0.000 1.252 260 E HN 0.428 nan 8.360 nan 0.000 0.449 261 T N 1.185 115.783 114.554 0.073 0.000 2.807 261 T HA 0.526 4.867 4.350 -0.014 0.000 0.279 261 T C -0.368 174.340 174.700 0.014 0.000 0.993 261 T CA -0.608 61.511 62.100 0.032 0.000 0.970 261 T CB 1.277 70.169 68.868 0.041 0.000 0.950 261 T HN 0.510 nan 8.240 nan 0.000 0.441 262 V N 0.607 120.507 119.914 -0.024 0.000 3.040 262 V HA 0.879 4.990 4.120 -0.014 0.000 0.312 262 V C -0.414 175.645 176.094 -0.060 0.000 1.115 262 V CA -0.885 61.400 62.300 -0.025 0.000 0.998 262 V CB 2.276 34.086 31.823 -0.021 0.000 1.042 262 V HN 0.767 nan 8.190 nan 0.000 0.433 263 T N 3.307 117.842 114.554 -0.032 0.000 3.317 263 T HA 0.423 4.765 4.350 -0.014 0.000 0.361 263 T C -2.038 172.664 174.700 0.003 0.000 1.499 263 T CA -0.584 61.495 62.100 -0.034 0.000 1.529 263 T CB 1.093 69.954 68.868 -0.012 0.000 0.997 263 T HN 0.728 nan 8.240 nan 0.000 0.624 264 P HA 0.118 nan 4.420 nan 0.000 0.218 264 P C 0.040 177.410 177.300 0.117 0.000 1.149 264 P CA 0.776 63.935 63.100 0.098 0.000 0.817 264 P CB 0.199 32.014 31.700 0.192 0.000 0.785 265 I N -0.866 119.755 120.570 0.086 0.000 2.420 265 I HA 0.234 4.395 4.170 -0.014 0.000 0.282 265 I C 0.133 176.273 176.117 0.038 0.000 1.019 265 I CA -1.041 60.297 61.300 0.062 0.000 1.130 265 I CB 1.679 39.672 38.000 -0.011 0.000 1.262 265 I HN -0.309 nan 8.210 nan 0.000 0.454 266 K N 6.286 126.713 120.400 0.046 0.000 2.219 266 K HA 0.306 4.617 4.320 -0.014 0.000 0.258 266 K C -2.410 174.206 176.600 0.027 0.000 1.008 266 K CA -1.216 55.090 56.287 0.032 0.000 0.928 266 K CB 0.214 32.736 32.500 0.037 0.000 0.983 266 K HN 0.220 nan 8.250 nan 0.000 0.484 267 P HA 0.016 nan 4.420 nan 0.000 0.271 267 P C -0.772 176.543 177.300 0.025 0.000 1.216 267 P CA 0.325 63.436 63.100 0.019 0.000 0.776 267 P CB 0.564 32.277 31.700 0.021 0.000 0.881 268 D N -1.485 118.929 120.400 0.023 0.000 2.495 268 D HA -0.187 4.444 4.640 -0.014 0.000 0.175 268 D C 0.393 176.711 176.300 0.029 0.000 1.040 268 D CA 1.895 55.910 54.000 0.024 0.000 1.049 268 D CB -1.658 39.157 40.800 0.024 0.000 1.105 268 D HN 0.552 nan 8.370 nan 0.000 0.457 269 A N 0.609 123.452 122.820 0.037 0.000 2.425 269 A HA 0.478 4.790 4.320 -0.014 0.000 0.249 269 A C 0.572 178.194 177.584 0.063 0.000 1.084 269 A CA 0.499 52.567 52.037 0.050 0.000 0.781 269 A CB 0.513 19.552 19.000 0.064 0.000 1.019 269 A HN 0.048 nan 8.150 nan 0.000 0.490 270 T N 2.796 117.385 114.554 0.059 0.000 2.749 270 T HA 0.250 4.591 4.350 -0.014 0.000 0.295 270 T C 0.583 175.350 174.700 0.112 0.000 0.936 270 T CA 0.128 62.262 62.100 0.058 0.000 1.060 270 T CB 0.175 69.052 68.868 0.014 0.000 0.904 270 T HN 0.531 nan 8.240 nan 0.000 0.500 271 F N 4.721 124.632 119.950 -0.064 0.000 2.270 271 F HA 0.455 4.975 4.527 -0.011 0.000 0.295 271 F C 0.567 176.290 175.800 -0.128 0.000 1.087 271 F CA 0.187 58.140 58.000 -0.079 0.000 1.365 271 F CB 0.347 39.288 39.000 -0.097 0.000 1.056 271 F HN 0.371 nan 8.300 nan 0.000 0.506 272 V N -0.433 119.341 119.914 -0.234 0.000 3.147 272 V HA 0.401 4.512 4.120 -0.014 0.000 0.299 272 V C -1.122 174.842 176.094 -0.217 0.000 1.302 272 V CA -0.440 61.636 62.300 -0.373 0.000 1.015 272 V CB 2.046 33.422 31.823 -0.746 0.000 1.086 272 V HN 0.026 nan 8.190 nan 0.000 0.437 273 T N 5.079 119.534 114.554 -0.166 0.000 2.823 273 T HA 0.661 5.002 4.350 -0.014 0.000 0.279 273 T C -1.092 173.552 174.700 -0.094 0.000 0.998 273 T CA -0.443 61.594 62.100 -0.105 0.000 0.994 273 T CB 1.432 70.254 68.868 -0.076 0.000 0.960 273 T HN 0.633 nan 8.240 nan 0.000 0.448 274 Q N 1.576 121.333 119.800 -0.072 0.000 2.397 274 Q HA 0.378 4.709 4.340 -0.014 0.000 0.275 274 Q C -0.402 175.569 176.000 -0.049 0.000 1.090 274 Q CA -0.799 54.977 55.803 -0.045 0.000 0.809 274 Q CB 2.835 31.558 28.738 -0.024 0.000 1.362 274 Q HN 0.593 nan 8.270 nan 0.000 0.431 275 R N 0.663 121.129 120.500 -0.057 0.000 2.623 275 R HA 0.290 4.621 4.340 -0.014 0.000 0.271 275 R C -0.368 175.863 176.300 -0.115 0.000 1.043 275 R CA -0.012 56.009 56.100 -0.131 0.000 1.083 275 R CB 0.490 30.673 30.300 -0.196 0.000 0.974 275 R HN 0.408 nan 8.270 nan 0.000 0.436 276 V N 4.577 124.389 119.914 -0.169 0.000 2.680 276 V HA 0.527 4.638 4.120 -0.014 0.000 0.309 276 V C -1.548 174.407 176.094 -0.231 0.000 1.052 276 V CA -0.948 61.294 62.300 -0.095 0.000 0.908 276 V CB 1.476 33.291 31.823 -0.014 0.000 1.001 276 V HN 0.798 nan 8.190 nan 0.000 0.431 277 W N 5.556 126.736 121.300 -0.199 0.000 2.417 277 W HA 0.738 5.389 4.660 -0.015 0.000 0.317 277 W C -0.130 176.238 176.519 -0.253 0.000 1.121 277 W CA -0.395 56.698 57.345 -0.420 0.000 1.208 277 W CB 0.910 29.896 29.460 -0.789 0.000 1.253 277 W HN 0.682 nan 8.180 nan 0.000 0.533 278 F N 0.349 120.420 119.950 0.203 0.000 3.018 278 F HA -0.154 4.364 4.527 -0.015 0.000 0.287 278 F C 0.686 176.532 175.800 0.075 0.000 0.813 278 F CA 0.362 58.443 58.000 0.135 0.000 1.209 278 F CB -1.871 37.219 39.000 0.150 0.000 1.321 278 F HN 0.393 nan 8.300 nan 0.000 0.477 279 G N -0.422 108.492 108.800 0.190 0.000 2.597 279 G HA2 0.474 4.425 3.960 -0.014 0.000 0.317 279 G HA3 0.474 4.425 3.960 -0.014 0.000 0.317 279 G C 0.173 175.113 174.900 0.067 0.000 1.230 279 G CA 0.077 45.242 45.100 0.108 0.000 0.996 279 G HN 0.050 nan 8.290 nan 0.000 0.490 280 D N -1.323 119.104 120.400 0.045 0.000 2.363 280 D HA 0.035 4.666 4.640 -0.014 0.000 0.220 280 D C 0.625 176.932 176.300 0.010 0.000 0.994 280 D CA 0.744 54.761 54.000 0.027 0.000 0.890 280 D CB 0.111 40.926 40.800 0.024 0.000 0.906 280 D HN 0.296 nan 8.370 nan 0.000 0.530 281 K N -1.379 119.023 120.400 0.003 0.000 2.502 281 K HA 0.256 4.567 4.320 -0.014 0.000 0.257 281 K C 0.345 176.922 176.600 -0.039 0.000 0.938 281 K CA -0.394 55.883 56.287 -0.017 0.000 0.819 281 K CB 1.511 34.003 32.500 -0.014 0.000 1.333 281 K HN -0.159 nan 8.250 nan 0.000 0.434 282 S N 1.065 116.727 115.700 -0.064 0.000 2.575 282 S HA 0.096 4.557 4.470 -0.014 0.000 0.215 282 S C -0.394 174.131 174.600 -0.126 0.000 0.966 282 S CA -0.038 58.093 58.200 -0.114 0.000 0.911 282 S CB -0.236 62.882 63.200 -0.136 0.000 0.780 282 S HN 0.595 nan 8.310 nan 0.000 0.514 283 E N -0.314 119.836 120.200 -0.083 0.000 2.408 283 E HA 0.759 5.100 4.350 -0.014 0.000 0.275 283 E C -1.596 174.976 176.600 -0.048 0.000 0.935 283 E CA -1.031 55.325 56.400 -0.074 0.000 0.775 283 E CB 2.046 31.705 29.700 -0.068 0.000 1.277 283 E HN 0.033 nan 8.360 nan 0.000 0.455 284 V N 1.056 120.944 119.914 -0.043 0.000 2.888 284 V HA 0.485 4.596 4.120 -0.014 0.000 0.309 284 V C -1.570 174.503 176.094 -0.036 0.000 1.114 284 V CA -0.830 61.453 62.300 -0.029 0.000 0.940 284 V CB 2.240 34.053 31.823 -0.016 0.000 1.021 284 V HN 0.692 nan 8.190 nan 0.000 0.426 285 N N 5.416 124.099 118.700 -0.027 0.000 2.472 285 N HA 0.566 5.297 4.740 -0.014 0.000 0.277 285 N C -0.885 174.611 175.510 -0.023 0.000 1.081 285 N CA -0.011 53.022 53.050 -0.029 0.000 0.973 285 N CB 1.318 39.796 38.487 -0.014 0.000 1.105 285 N HN 0.585 nan 8.380 nan 0.000 0.470 286 L N 0.548 121.751 121.223 -0.033 0.000 2.333 286 L HA 0.838 5.169 4.340 -0.014 0.000 0.269 286 L C 0.986 177.873 176.870 0.030 0.000 1.010 286 L CA -0.753 54.076 54.840 -0.018 0.000 0.818 286 L CB 2.105 44.128 42.059 -0.059 0.000 1.306 286 L HN 0.559 nan 8.230 nan 0.000 0.430 287 G N -0.098 108.725 108.800 0.038 0.000 2.664 287 G HA2 0.538 4.490 3.960 -0.014 0.000 0.303 287 G HA3 0.538 4.490 3.960 -0.014 0.000 0.303 287 G C -0.481 174.421 174.900 0.002 0.000 1.243 287 G CA 0.299 45.436 45.100 0.061 0.000 0.826 287 G HN 0.601 nan 8.290 nan 0.000 0.498 288 A N -1.530 121.279 122.820 -0.018 0.000 2.324 288 A HA 0.620 4.932 4.320 -0.014 0.000 0.220 288 A C 1.748 179.324 177.584 -0.013 0.000 1.209 288 A CA 1.414 53.432 52.037 -0.032 0.000 0.918 288 A CB -0.644 18.331 19.000 -0.042 0.000 0.959 288 A HN 2.642 nan 8.150 nan 0.000 0.507 289 G N 0.312 109.110 108.800 -0.004 0.000 2.596 289 G HA2 -0.330 3.621 3.960 -0.014 0.000 0.295 289 G HA3 -0.330 3.621 3.960 -0.014 0.000 0.295 289 G C 0.537 175.429 174.900 -0.013 0.000 1.240 289 G CA 0.422 45.520 45.100 -0.004 0.000 0.985 289 G HN 0.271 nan 8.290 nan 0.000 0.555 290 E N 1.078 121.262 120.200 -0.027 0.000 2.511 290 E HA 0.214 4.556 4.350 -0.014 0.000 0.196 290 E C 2.125 178.684 176.600 -0.069 0.000 1.066 290 E CA 0.949 57.319 56.400 -0.050 0.000 0.871 290 E CB -0.114 29.538 29.700 -0.080 0.000 0.863 290 E HN 0.865 nan 8.360 nan 0.000 0.520 291 A N 0.497 123.287 122.820 -0.050 0.000 2.532 291 A HA 0.328 4.639 4.320 -0.014 0.000 0.273 291 A C 1.598 179.164 177.584 -0.030 0.000 1.342 291 A CA 0.279 52.285 52.037 -0.051 0.000 0.929 291 A CB -0.107 18.874 19.000 -0.032 0.000 1.051 291 A HN 0.152 nan 8.150 nan 0.000 0.521 292 G N -0.775 108.005 108.800 -0.034 0.000 3.189 292 G HA2 0.314 4.266 3.960 -0.014 0.000 0.225 292 G HA3 0.314 4.266 3.960 -0.014 0.000 0.225 292 G C 0.311 175.147 174.900 -0.107 0.000 1.159 292 G CA 0.162 45.255 45.100 -0.012 0.000 0.763 292 G HN 0.374 nan 8.290 nan 0.000 0.549 293 S N -0.389 115.225 115.700 -0.143 0.000 2.578 293 S HA 0.648 5.110 4.470 -0.014 0.000 0.283 293 S C -0.197 174.242 174.600 -0.269 0.000 1.195 293 S CA -0.509 57.585 58.200 -0.177 0.000 1.050 293 S CB 2.079 65.211 63.200 -0.113 0.000 1.012 293 S HN 0.551 nan 8.310 nan 0.000 0.511 294 V N 0.092 119.830 119.914 -0.294 0.000 3.007 294 V HA 0.808 4.920 4.120 -0.014 0.000 0.311 294 V C -0.612 175.388 176.094 -0.156 0.000 1.120 294 V CA -0.695 61.425 62.300 -0.301 0.000 0.980 294 V CB 1.800 33.315 31.823 -0.513 0.000 1.033 294 V HN 0.701 nan 8.190 nan 0.000 0.429 295 T N 5.697 120.188 114.554 -0.106 0.000 2.779 295 T HA 0.786 5.128 4.350 -0.014 0.000 0.280 295 T C -0.193 174.528 174.700 0.035 0.000 0.987 295 T CA -0.184 61.898 62.100 -0.031 0.000 0.966 295 T CB 0.877 69.706 68.868 -0.065 0.000 0.933 295 T HN 1.020 nan 8.240 nan 0.000 0.442 296 I N 0.332 120.973 120.570 0.119 0.000 2.969 296 I HA 0.725 4.886 4.170 -0.014 0.000 0.307 296 I C -3.100 173.153 176.117 0.226 0.000 1.149 296 I CA -3.628 57.766 61.300 0.158 0.000 1.008 296 I CB 2.182 40.219 38.000 0.061 0.000 1.232 296 I HN 0.254 nan 8.210 nan 0.000 0.435 297 P HA 0.126 nan 4.420 nan 0.000 0.267 297 P C -0.823 176.427 177.300 -0.083 0.000 1.200 297 P CA -0.101 62.919 63.100 -0.134 0.000 0.772 297 P CB 0.386 31.999 31.700 -0.145 0.000 0.855 298 R N 1.639 122.057 120.500 -0.136 0.000 2.698 298 R HA 0.223 4.554 4.340 -0.014 0.000 0.266 298 R C 1.450 177.724 176.300 -0.043 0.000 1.026 298 R CA 1.026 57.085 56.100 -0.068 0.000 1.102 298 R CB -0.639 29.609 30.300 -0.087 0.000 0.978 298 R HN 0.903 nan 8.270 nan 0.000 0.436 299 G N 1.145 109.932 108.800 -0.021 0.000 2.184 299 G HA2 -0.268 3.684 3.960 -0.014 0.000 0.264 299 G HA3 -0.268 3.684 3.960 -0.014 0.000 0.264 299 G C 0.702 175.602 174.900 -0.000 0.000 0.975 299 G CA 0.137 45.231 45.100 -0.011 0.000 0.642 299 G HN 0.530 nan 8.290 nan 0.000 0.536 300 Q N -0.754 119.048 119.800 0.003 0.000 2.360 300 Q HA 0.279 4.611 4.340 -0.014 0.000 0.202 300 Q C 2.472 178.487 176.000 0.025 0.000 0.915 300 Q CA 0.569 56.381 55.803 0.015 0.000 0.943 300 Q CB 0.074 28.824 28.738 0.019 0.000 1.064 300 Q HN 0.614 nan 8.270 nan 0.000 0.511 301 L N 1.300 122.536 121.223 0.023 0.000 2.046 301 L HA -0.165 4.167 4.340 -0.014 0.000 0.208 301 L C 1.550 178.443 176.870 0.038 0.000 1.077 301 L CA 1.896 56.753 54.840 0.029 0.000 0.747 301 L CB -0.293 41.781 42.059 0.025 0.000 0.896 301 L HN -0.036 nan 8.230 nan 0.000 0.432 302 K N -0.191 120.228 120.400 0.031 0.000 2.281 302 K HA -0.141 4.170 4.320 -0.014 0.000 0.203 302 K C 1.247 177.870 176.600 0.039 0.000 1.046 302 K CA 1.913 58.219 56.287 0.033 0.000 0.938 302 K CB -0.418 32.097 32.500 0.024 0.000 0.737 302 K HN 0.554 nan 8.250 nan 0.000 0.458 303 N N 0.006 118.730 118.700 0.041 0.000 2.203 303 N HA 0.070 4.801 4.740 -0.014 0.000 0.207 303 N C -0.840 174.707 175.510 0.062 0.000 1.130 303 N CA -0.353 52.724 53.050 0.045 0.000 0.861 303 N CB 0.436 38.946 38.487 0.037 0.000 1.005 303 N HN -0.023 nan 8.380 nan 0.000 0.507 304 L N 1.409 122.676 121.223 0.073 0.000 2.319 304 L HA 0.331 4.662 4.340 -0.014 0.000 0.280 304 L C -0.539 176.410 176.870 0.132 0.000 1.099 304 L CA 0.016 54.920 54.840 0.106 0.000 0.828 304 L CB 0.453 42.572 42.059 0.100 0.000 1.150 304 L HN -0.203 nan 8.230 nan 0.000 0.442 305 K N 4.005 124.496 120.400 0.151 0.000 2.376 305 K HA 0.794 5.105 4.320 -0.014 0.000 0.257 305 K C -1.123 175.566 176.600 0.148 0.000 0.939 305 K CA -0.235 56.133 56.287 0.135 0.000 0.809 305 K CB 1.970 34.523 32.500 0.087 0.000 1.121 305 K HN 0.669 nan 8.250 nan 0.000 0.425 306 A N 2.205 125.106 122.820 0.135 0.000 2.304 306 A HA 0.704 5.015 4.320 -0.014 0.000 0.323 306 A C -0.642 177.017 177.584 0.124 0.000 1.195 306 A CA -0.401 51.627 52.037 -0.015 0.000 0.826 306 A CB 0.505 19.500 19.000 -0.008 0.000 1.184 306 A HN 0.761 nan 8.150 nan 0.000 0.496 307 S N 0.888 116.616 115.700 0.048 0.000 2.661 307 S HA 0.876 5.337 4.470 -0.014 0.000 0.285 307 S C -0.847 173.894 174.600 0.236 0.000 1.138 307 S CA -0.618 57.672 58.200 0.150 0.000 0.855 307 S CB 1.244 64.450 63.200 0.009 0.000 1.136 307 S HN 1.552 nan 8.310 nan 0.000 0.484 308 Y N -1.105 119.262 120.300 0.112 0.000 2.553 308 Y HA 0.832 5.373 4.550 -0.015 0.000 0.347 308 Y C -0.543 175.377 175.900 0.033 0.000 1.019 308 Y CA -0.694 57.465 58.100 0.097 0.000 1.032 308 Y CB 1.328 39.920 38.460 0.219 0.000 1.284 308 Y HN 0.967 nan 8.280 nan 0.000 0.466 309 T N 1.480 116.081 114.554 0.078 0.000 2.912 309 T HA 0.762 5.103 4.350 -0.014 0.000 0.288 309 T C -1.071 173.736 174.700 0.179 0.000 1.030 309 T CA -0.852 61.262 62.100 0.024 0.000 1.020 309 T CB 1.452 70.314 68.868 -0.010 0.000 1.056 309 T HN 0.794 nan 8.240 nan 0.000 0.480 310 L N 2.388 123.696 121.223 0.141 0.000 2.325 310 L HA 0.437 4.768 4.340 -0.014 0.000 0.278 310 L C 2.100 179.011 176.870 0.069 0.000 1.023 310 L CA -0.777 54.145 54.840 0.136 0.000 0.811 310 L CB 2.042 44.190 42.059 0.149 0.000 1.249 310 L HN 1.101 nan 8.230 nan 0.000 0.431 311 T N -1.363 113.224 114.554 0.056 0.000 2.770 311 T HA -0.005 4.337 4.350 -0.014 0.000 0.263 311 T C 0.594 175.308 174.700 0.022 0.000 1.039 311 T CA 0.681 62.800 62.100 0.032 0.000 1.142 311 T CB -0.030 68.854 68.868 0.026 0.000 0.868 311 T HN 0.543 nan 8.240 nan 0.000 0.435 312 E N 1.491 121.706 120.200 0.025 0.000 2.221 312 E HA 0.393 4.735 4.350 -0.014 0.000 0.268 312 E C -2.017 174.593 176.600 0.016 0.000 0.933 312 E CA -2.540 53.867 56.400 0.011 0.000 0.809 312 E CB 1.913 31.615 29.700 0.003 0.000 1.190 312 E HN 0.064 nan 8.360 nan 0.000 0.406 313 P HA -0.088 nan 4.420 nan 0.000 0.226 313 P C -0.776 176.538 177.300 0.022 0.000 1.153 313 P CA 0.844 63.945 63.100 0.002 0.000 0.777 313 P CB 0.389 32.073 31.700 -0.027 0.000 0.794 314 Q N -1.238 118.566 119.800 0.007 0.000 2.295 314 Q HA 0.405 4.737 4.340 -0.014 0.000 0.268 314 Q C -1.571 174.469 176.000 0.068 0.000 1.010 314 Q CA -0.684 55.155 55.803 0.059 0.000 0.856 314 Q CB 1.624 30.307 28.738 -0.092 0.000 1.349 314 Q HN -0.193 nan 8.270 nan 0.000 0.412 315 L N 2.270 123.583 121.223 0.150 0.000 2.367 315 L HA 0.472 4.803 4.340 -0.014 0.000 0.275 315 L C 0.145 177.107 176.870 0.152 0.000 1.129 315 L CA 0.490 55.398 54.840 0.114 0.000 0.839 315 L CB 0.929 43.040 42.059 0.088 0.000 1.133 315 L HN 0.781 nan 8.230 nan 0.000 0.453 316 T N 0.948 115.557 114.554 0.092 0.000 2.829 316 T HA 0.863 5.205 4.350 -0.014 0.000 0.280 316 T C 0.010 174.779 174.700 0.115 0.000 0.999 316 T CA -0.776 61.389 62.100 0.109 0.000 0.983 316 T CB 1.623 70.544 68.868 0.088 0.000 0.968 316 T HN 0.714 nan 8.240 nan 0.000 0.446 317 A N 3.984 126.890 122.820 0.142 0.000 2.346 317 A HA 0.672 4.983 4.320 -0.014 0.000 0.252 317 A C -2.021 175.635 177.584 0.120 0.000 1.089 317 A CA -1.367 50.740 52.037 0.117 0.000 0.797 317 A CB -0.640 18.434 19.000 0.123 0.000 1.047 317 A HN 0.802 nan 8.150 nan 0.000 0.494 318 P HA 0.471 nan 4.420 nan 0.000 0.278 318 P C -1.152 176.178 177.300 0.051 0.000 1.238 318 P CA -0.025 63.113 63.100 0.063 0.000 0.794 318 P CB 0.757 32.486 31.700 0.049 0.000 0.955 319 L N 2.165 123.413 121.223 0.042 0.000 2.362 319 L HA 0.520 4.852 4.340 -0.014 0.000 0.271 319 L C 0.511 177.396 176.870 0.025 0.000 1.002 319 L CA -0.760 54.099 54.840 0.032 0.000 0.818 319 L CB 2.160 44.236 42.059 0.029 0.000 1.298 319 L HN 0.233 nan 8.230 nan 0.000 0.420 320 K N 2.378 122.791 120.400 0.021 0.000 2.259 320 K HA 0.378 4.689 4.320 -0.014 0.000 0.252 320 K C -0.778 175.831 176.600 0.015 0.000 0.936 320 K CA -1.061 55.236 56.287 0.017 0.000 0.810 320 K CB 2.399 34.909 32.500 0.017 0.000 1.143 320 K HN 0.419 nan 8.250 nan 0.000 0.427 321 K N 0.603 121.011 120.400 0.013 0.000 2.476 321 K HA -0.180 4.131 4.320 -0.014 0.000 0.273 321 K C 0.853 177.459 176.600 0.011 0.000 1.056 321 K CA 1.639 57.933 56.287 0.012 0.000 1.150 321 K CB -0.055 32.453 32.500 0.012 0.000 0.838 321 K HN 0.992 nan 8.250 nan 0.000 0.486 322 G N 2.326 111.132 108.800 0.009 0.000 2.195 322 G HA2 -0.309 3.642 3.960 -0.014 0.000 0.246 322 G HA3 -0.309 3.642 3.960 -0.014 0.000 0.246 322 G C 0.081 174.985 174.900 0.008 0.000 0.984 322 G CA 0.246 45.350 45.100 0.008 0.000 0.633 322 G HN 0.645 nan 8.290 nan 0.000 0.525 323 Q N 0.918 120.724 119.800 0.010 0.000 2.313 323 Q HA 0.466 4.797 4.340 -0.014 0.000 0.266 323 Q C 0.316 176.323 176.000 0.012 0.000 0.989 323 Q CA -0.287 55.524 55.803 0.012 0.000 0.890 323 Q CB 0.878 29.625 28.738 0.016 0.000 1.200 323 Q HN 0.277 nan 8.270 nan 0.000 0.396 324 V N 5.469 125.390 119.914 0.012 0.000 2.530 324 V HA 0.094 4.205 4.120 -0.014 0.000 0.282 324 V C 0.774 176.880 176.094 0.020 0.000 1.048 324 V CA 0.052 62.360 62.300 0.014 0.000 0.997 324 V CB 1.013 32.843 31.823 0.012 0.000 0.987 324 V HN 0.813 nan 8.190 nan 0.000 0.477 325 V N 1.138 121.067 119.914 0.025 0.000 3.392 325 V HA 0.836 4.948 4.120 -0.014 0.000 0.294 325 V C 0.427 176.551 176.094 0.050 0.000 1.561 325 V CA 0.661 62.981 62.300 0.034 0.000 1.056 325 V CB 0.019 31.861 31.823 0.031 0.000 0.882 325 V HN 1.086 nan 8.190 nan 0.000 0.440 326 G N 0.652 109.483 108.800 0.052 0.000 2.393 326 G HA2 0.540 4.491 3.960 -0.014 0.000 0.264 326 G HA3 0.540 4.491 3.960 -0.014 0.000 0.264 326 G C -0.728 174.208 174.900 0.060 0.000 1.221 326 G CA 0.391 45.534 45.100 0.071 0.000 0.912 326 G HN 1.018 nan 8.290 nan 0.000 0.483 327 T N -1.457 113.143 114.554 0.078 0.000 2.916 327 T HA 0.710 5.052 4.350 -0.014 0.000 0.298 327 T C -0.761 173.970 174.700 0.053 0.000 1.031 327 T CA -0.530 61.597 62.100 0.045 0.000 0.993 327 T CB 1.526 70.412 68.868 0.029 0.000 1.045 327 T HN 0.613 nan 8.240 nan 0.000 0.454 328 I N 2.434 122.987 120.570 -0.030 0.000 2.359 328 I HA 0.456 4.617 4.170 -0.014 0.000 0.294 328 I C -0.337 175.636 176.117 -0.240 0.000 0.987 328 I CA -0.545 60.660 61.300 -0.159 0.000 1.225 328 I CB 1.486 39.245 38.000 -0.402 0.000 1.366 328 I HN 0.729 nan 8.210 nan 0.000 0.466 329 D N 5.471 125.713 120.400 -0.264 0.000 2.278 329 D HA 0.470 5.102 4.640 -0.014 0.000 0.245 329 D C -1.326 174.776 176.300 -0.331 0.000 1.052 329 D CA -0.218 53.670 54.000 -0.186 0.000 0.834 329 D CB 0.982 41.745 40.800 -0.061 0.000 1.194 329 D HN 0.130 nan 8.370 nan 0.000 0.481 330 F N 2.207 122.159 119.950 0.004 0.000 2.427 330 F HA 0.407 4.926 4.527 -0.013 0.000 0.346 330 F C 0.430 176.240 175.800 0.018 0.000 1.120 330 F CA -0.659 57.345 58.000 0.008 0.000 1.033 330 F CB 1.614 40.608 39.000 -0.010 0.000 1.126 330 F HN 0.133 nan 8.300 nan 0.000 0.462 331 Q N 3.273 123.186 119.800 0.188 0.000 2.365 331 Q HA 0.576 4.908 4.340 -0.014 0.000 0.269 331 Q C -1.589 174.478 176.000 0.113 0.000 1.061 331 Q CA -1.247 54.627 55.803 0.119 0.000 0.816 331 Q CB 3.158 31.939 28.738 0.072 0.000 1.325 331 Q HN 0.417 nan 8.270 nan 0.000 0.446 332 L N 2.839 124.114 121.223 0.087 0.000 2.305 332 L HA 0.317 4.648 4.340 -0.014 0.000 0.284 332 L C -0.816 176.086 176.870 0.053 0.000 1.013 332 L CA -0.050 54.832 54.840 0.070 0.000 0.819 332 L CB 0.702 42.800 42.059 0.064 0.000 1.227 332 L HN 0.688 nan 8.230 nan 0.000 0.417 333 N N 3.739 122.467 118.700 0.046 0.000 2.667 333 N HA -0.183 4.548 4.740 -0.014 0.000 0.263 333 N C 1.035 176.565 175.510 0.033 0.000 1.038 333 N CA 0.767 53.838 53.050 0.036 0.000 0.749 333 N CB -0.955 37.550 38.487 0.030 0.000 0.892 333 N HN 1.121 nan 8.380 nan 0.000 0.546 334 G N -0.740 108.081 108.800 0.035 0.000 2.228 334 G HA2 -0.432 3.520 3.960 -0.014 0.000 0.270 334 G HA3 -0.432 3.520 3.960 -0.014 0.000 0.270 334 G C 0.129 175.047 174.900 0.029 0.000 0.976 334 G CA 1.176 46.292 45.100 0.028 0.000 0.636 334 G HN 0.767 nan 8.290 nan 0.000 0.542 335 K N 0.599 121.021 120.400 0.037 0.000 2.292 335 K HA 0.621 4.932 4.320 -0.014 0.000 0.257 335 K C 0.294 176.924 176.600 0.050 0.000 0.940 335 K CA 0.023 56.333 56.287 0.038 0.000 0.811 335 K CB 1.490 34.012 32.500 0.036 0.000 1.120 335 K HN 0.302 nan 8.250 nan 0.000 0.428 336 S N 4.637 120.365 115.700 0.047 0.000 2.505 336 S HA 0.186 4.647 4.470 -0.014 0.000 0.276 336 S C 0.878 175.519 174.600 0.068 0.000 1.274 336 S CA -0.563 57.673 58.200 0.060 0.000 1.053 336 S CB -0.004 63.222 63.200 0.045 0.000 0.919 336 S HN 0.661 nan 8.310 nan 0.000 0.490 337 I N 0.862 121.488 120.570 0.094 0.000 4.139 337 I HA 0.637 4.799 4.170 -0.014 0.000 0.320 337 I C 0.091 176.258 176.117 0.083 0.000 1.290 337 I CA -0.262 61.086 61.300 0.080 0.000 1.253 337 I CB 0.244 38.289 38.000 0.076 0.000 1.122 337 I HN 0.435 nan 8.210 nan 0.000 0.421 338 E N 1.038 121.322 120.200 0.139 0.000 2.335 338 E HA 0.472 4.813 4.350 -0.014 0.000 0.280 338 E C -1.517 175.213 176.600 0.217 0.000 0.918 338 E CA -0.389 56.105 56.400 0.157 0.000 0.765 338 E CB 1.933 31.713 29.700 0.134 0.000 1.218 338 E HN 0.244 nan 8.360 nan 0.000 0.425 339 Q N 2.462 122.344 119.800 0.136 0.000 2.345 339 Q HA 0.680 5.012 4.340 -0.014 0.000 0.268 339 Q C -0.590 175.470 176.000 0.100 0.000 1.054 339 Q CA -1.181 54.683 55.803 0.101 0.000 0.835 339 Q CB 2.361 31.126 28.738 0.045 0.000 1.339 339 Q HN 0.212 nan 8.270 nan 0.000 0.447 340 R N 1.041 121.587 120.500 0.076 0.000 2.837 340 R HA 0.534 4.865 4.340 -0.014 0.000 0.271 340 R C -2.773 173.536 176.300 0.014 0.000 0.993 340 R CA -2.403 53.731 56.100 0.057 0.000 0.931 340 R CB 1.030 31.396 30.300 0.110 0.000 1.206 340 R HN 0.418 nan 8.270 nan 0.000 0.474 341 P HA 0.047 nan 4.420 nan 0.000 0.268 341 P C -0.479 176.820 177.300 -0.002 0.000 1.204 341 P CA -0.428 62.675 63.100 0.005 0.000 0.768 341 P CB 0.412 32.113 31.700 0.002 0.000 0.842 342 L N 5.917 127.146 121.223 0.010 0.000 2.283 342 L HA 0.388 4.719 4.340 -0.014 0.000 0.287 342 L C -0.232 176.645 176.870 0.012 0.000 1.073 342 L CA -0.246 54.602 54.840 0.013 0.000 0.822 342 L CB -0.735 41.353 42.059 0.047 0.000 1.186 342 L HN 0.266 nan 8.230 nan 0.000 0.436 343 I N 2.629 123.202 120.570 0.005 0.000 2.648 343 I HA 0.566 4.727 4.170 -0.014 0.000 0.304 343 I C -0.514 175.606 176.117 0.005 0.000 1.009 343 I CA -1.194 60.110 61.300 0.006 0.000 1.114 343 I CB 1.870 39.872 38.000 0.003 0.000 1.293 343 I HN 0.138 nan 8.210 nan 0.000 0.449 344 V N 5.926 125.844 119.914 0.007 0.000 2.521 344 V HA 0.026 4.138 4.120 -0.014 0.000 0.286 344 V C 1.184 177.282 176.094 0.006 0.000 1.034 344 V CA -0.003 62.301 62.300 0.005 0.000 1.045 344 V CB 0.983 32.811 31.823 0.009 0.000 0.974 344 V HN 0.756 nan 8.190 nan 0.000 0.480 345 M N 3.831 123.434 119.600 0.005 0.000 2.502 345 M HA 0.238 4.709 4.480 -0.014 0.000 0.243 345 M C 0.579 176.883 176.300 0.007 0.000 1.130 345 M CA 0.537 55.842 55.300 0.007 0.000 1.055 345 M CB -0.652 31.953 32.600 0.009 0.000 1.457 345 M HN 0.905 nan 8.290 nan 0.000 0.488 346 E N -0.334 119.869 120.200 0.006 0.000 2.375 346 E HA 0.367 4.708 4.350 -0.014 0.000 0.280 346 E C -1.441 175.163 176.600 0.008 0.000 0.972 346 E CA -0.734 55.669 56.400 0.006 0.000 0.782 346 E CB 0.777 30.478 29.700 0.002 0.000 1.229 346 E HN 0.058 nan 8.360 nan 0.000 0.439 347 N N 0.434 119.140 118.700 0.009 0.000 2.520 347 N HA 0.373 5.104 4.740 -0.014 0.000 0.273 347 N C -1.204 174.314 175.510 0.013 0.000 1.155 347 N CA -0.306 52.751 53.050 0.013 0.000 0.967 347 N CB 1.552 40.047 38.487 0.013 0.000 1.092 347 N HN 0.233 nan 8.380 nan 0.000 0.457 348 V N 1.671 121.595 119.914 0.018 0.000 2.419 348 V HA 0.180 4.291 4.120 -0.014 0.000 0.287 348 V C -0.045 176.068 176.094 0.031 0.000 1.017 348 V CA -0.717 61.595 62.300 0.021 0.000 0.844 348 V CB 1.055 32.889 31.823 0.019 0.000 1.011 348 V HN 0.668 nan 8.190 nan 0.000 0.429 349 E N 2.559 122.777 120.200 0.031 0.000 2.392 349 E HA 0.244 4.585 4.350 -0.014 0.000 0.256 349 E C -0.001 176.630 176.600 0.052 0.000 1.145 349 E CA -0.470 55.952 56.400 0.036 0.000 0.929 349 E CB 1.004 30.721 29.700 0.028 0.000 0.998 349 E HN 0.648 nan 8.360 nan 0.000 0.442 350 E N 0.536 120.772 120.200 0.059 0.000 2.442 350 E HA 0.035 4.376 4.350 -0.014 0.000 0.262 350 E C 0.327 176.966 176.600 0.066 0.000 1.004 350 E CA -0.209 56.238 56.400 0.078 0.000 0.928 350 E CB 0.316 30.054 29.700 0.064 0.000 0.937 350 E HN 0.531 nan 8.360 nan 0.000 0.446 351 G N 1.409 110.261 108.800 0.086 0.000 2.699 351 G HA2 0.390 4.341 3.960 -0.014 0.000 0.246 351 G HA3 0.390 4.341 3.960 -0.014 0.000 0.246 351 G C 0.454 175.377 174.900 0.038 0.000 1.219 351 G CA 0.108 45.247 45.100 0.065 0.000 0.866 351 G HN 0.768 nan 8.290 nan 0.000 0.572 352 G N 0.000 108.815 108.800 0.026 0.000 5.446 352 G HA2 0.000 3.951 3.960 -0.014 0.000 0.244 352 G HA3 0.000 3.951 3.960 -0.014 0.000 0.244 352 G CA 0.000 45.107 45.100 0.012 0.000 0.502 352 G HN 0.000 nan 8.290 nan 0.000 0.925