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 3foa_1_D DATA FIRST_RESID 24 DATA SEQUENCE TGTAALAGKF QWGPAFQIKQ VTNEVDLVNT FGQPTAETAD YFMSAMNFLQ DATA SEQUENCE YGNDLRVVRA VDRDTAKNSS PIAGNIEYTI STPGSNYAVG DKITVKYVSD DATA SEQUENCE DIETEGKITE VDADGKIKKI NIPTAKIIAK AKEVGEYPTL GSNWTAEISS DATA SEQUENCE SSSGLAAVIT LGKIITDSGI LLAEIENAEA AMTAVDFQAN LKKYGIPGVV DATA SEQUENCE ALYPGELGDK IEIEIVSKAD YAKGASALLP IYPGGGTRAS TAKAVFGYGP DATA SEQUENCE QTDSQYAIIV RRNDAIVQSV VLSTKRGGKD IYDSNIYIDD FFAKGGSEYI DATA SEQUENCE FATAQNWPEG FSGILTLSGG LSSNAEVTAG DLMEAWDFFA DRESVDVQLF DATA SEQUENCE IAGSCAGESL ETASTVQKHV VSIGDVRQDC LVLCSPPRET VVGIPVTRAV DATA SEQUENCE DNLVNWRTAA GSYTDNNFNI SSTYAAIDGN YKYQYDKYND VNRWVPLAAD DATA SEQUENCE IAGLCARTDN VXXXXXXXXX XXRGQILNVI KLAIETP 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 24 T HA 0.000 nan 4.350 nan 0.000 0.228 24 T C 0.000 174.738 174.700 0.064 0.000 1.109 24 T CA 0.000 62.136 62.100 0.060 0.000 1.349 24 T CB 0.000 68.899 68.868 0.052 0.000 0.612 25 G N 2.198 111.043 108.800 0.075 0.000 2.203 25 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.231 25 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.231 25 G C -0.092 174.881 174.900 0.122 0.000 1.058 25 G CA 0.098 45.253 45.100 0.091 0.000 0.781 25 G HN 0.969 nan 8.290 nan 0.000 0.496 26 T N 0.815 115.430 114.554 0.102 0.000 2.772 26 T HA 0.722 5.072 4.350 -0.000 0.000 0.288 26 T C 0.644 175.352 174.700 0.014 0.000 0.994 26 T CA 0.507 62.655 62.100 0.080 0.000 0.951 26 T CB 1.511 70.412 68.868 0.055 0.000 0.933 26 T HN 1.286 nan 8.240 nan 0.000 0.447 27 A N 2.790 125.592 122.820 -0.029 0.000 2.287 27 A HA 0.841 5.161 4.320 -0.000 0.000 0.273 27 A C 0.187 177.529 177.584 -0.403 0.000 1.091 27 A CA -0.716 51.170 52.037 -0.251 0.000 0.817 27 A CB 0.369 18.981 19.000 -0.647 0.000 1.069 27 A HN 1.003 nan 8.150 nan 0.000 0.492 28 A N 0.845 123.323 122.820 -0.570 0.000 2.457 28 A HA 0.558 4.878 4.320 -0.000 0.000 0.283 28 A C -1.002 176.294 177.584 -0.480 0.000 1.166 28 A CA -0.317 51.215 52.037 -0.842 0.000 0.740 28 A CB 0.523 18.504 19.000 -1.699 0.000 1.181 28 A HN 1.665 nan 8.150 nan 0.000 0.446 29 L N 2.572 123.581 121.223 -0.358 0.000 2.341 29 L HA 0.952 5.292 4.340 -0.000 0.000 0.278 29 L C -0.246 176.319 176.870 -0.509 0.000 1.005 29 L CA -0.200 54.523 54.840 -0.194 0.000 0.818 29 L CB 1.699 43.661 42.059 -0.161 0.000 1.259 29 L HN 0.938 nan 8.230 nan 0.000 0.418 30 A N 3.202 125.324 122.820 -1.163 0.000 2.374 30 A HA 0.993 5.313 4.320 -0.000 0.000 0.305 30 A C -0.255 176.829 177.584 -0.833 0.000 1.053 30 A CA 0.189 51.478 52.037 -1.245 0.000 0.726 30 A CB 1.329 19.108 19.000 -2.035 0.000 1.229 30 A HN 1.333 nan 8.150 nan 0.000 0.431 31 G N 0.859 109.163 108.800 -0.826 0.000 2.342 31 G HA2 0.464 4.424 3.960 -0.000 0.000 0.297 31 G HA3 0.464 4.424 3.960 -0.000 0.000 0.297 31 G C -1.596 172.319 174.900 -1.642 0.000 1.313 31 G CA -0.979 43.406 45.100 -1.190 0.000 0.830 31 G HN 0.730 nan 8.290 nan 0.000 0.506 32 K N 0.040 119.278 120.400 -1.937 0.000 2.276 32 K HA 0.607 4.927 4.320 -0.000 0.000 0.283 32 K C -1.170 174.757 176.600 -1.120 0.000 1.044 32 K CA 0.107 55.687 56.287 -1.178 0.000 0.944 32 K CB 1.099 33.148 32.500 -0.750 0.000 1.012 32 K HN 0.321 nan 8.250 nan 0.000 0.472 33 F N 0.178 120.000 119.950 -0.213 0.000 2.620 33 F HA 0.174 4.701 4.527 -0.000 0.000 0.320 33 F C 1.581 177.403 175.800 0.037 0.000 1.069 33 F CA -1.012 56.971 58.000 -0.029 0.000 0.953 33 F CB 1.883 40.923 39.000 0.067 0.000 1.322 33 F HN 0.489 nan 8.300 nan 0.000 0.479 34 Q N 0.719 120.728 119.800 0.348 0.000 2.435 34 Q HA -0.028 4.312 4.340 -0.000 0.000 0.207 34 Q C -0.826 175.394 176.000 0.368 0.000 0.956 34 Q CA 0.811 56.763 55.803 0.248 0.000 0.917 34 Q CB 0.539 29.379 28.738 0.170 0.000 0.997 34 Q HN 0.578 nan 8.270 nan 0.000 0.497 35 W N -0.528 120.800 121.300 0.045 0.000 3.439 35 W HA 0.412 5.072 4.660 -0.000 0.000 0.323 35 W C -0.391 175.954 176.519 -0.291 0.000 1.174 35 W CA -0.655 56.626 57.345 -0.106 0.000 1.224 35 W CB 1.223 30.584 29.460 -0.164 0.000 1.348 35 W HN 0.031 nan 8.180 nan 0.000 0.498 36 G N 4.310 112.567 108.800 -0.905 0.000 2.631 36 G HA2 0.290 4.250 3.960 -0.000 0.000 0.271 36 G HA3 0.290 4.250 3.960 -0.000 0.000 0.271 36 G C -2.457 171.089 174.900 -2.256 0.000 1.302 36 G CA -0.774 43.669 45.100 -1.096 0.000 1.002 36 G HN 0.224 nan 8.290 nan 0.000 0.519 37 P HA 0.262 nan 4.420 nan 0.000 0.268 37 P C -0.527 176.590 177.300 -0.305 0.000 1.205 37 P CA 0.122 62.871 63.100 -0.584 0.000 0.771 37 P CB 1.020 32.595 31.700 -0.208 0.000 0.858 38 A N 3.972 126.685 122.820 -0.177 0.000 2.301 38 A HA 0.517 4.836 4.320 -0.000 0.000 0.298 38 A C 0.004 177.526 177.584 -0.103 0.000 1.185 38 A CA -0.667 51.251 52.037 -0.199 0.000 0.830 38 A CB -0.723 18.233 19.000 -0.074 0.000 1.112 38 A HN 0.506 nan 8.150 nan 0.000 0.508 39 F N -0.295 119.466 119.950 -0.314 0.000 2.943 39 F HA -0.217 4.309 4.527 -0.000 0.000 0.258 39 F C 0.567 176.100 175.800 -0.446 0.000 0.995 39 F CA 1.451 59.122 58.000 -0.548 0.000 0.896 39 F CB -1.563 37.243 39.000 -0.324 0.000 0.821 39 F HN 0.732 nan 8.300 nan 0.000 0.828 40 Q N 0.323 119.960 119.800 -0.273 0.000 2.315 40 Q HA 0.472 4.812 4.340 -0.000 0.000 0.273 40 Q C 0.007 175.930 176.000 -0.128 0.000 1.053 40 Q CA -1.005 54.736 55.803 -0.102 0.000 0.817 40 Q CB 2.222 30.949 28.738 -0.018 0.000 1.326 40 Q HN 0.178 nan 8.270 nan 0.000 0.423 41 I N 2.212 122.754 120.570 -0.047 0.000 2.528 41 I HA 0.050 4.220 4.170 -0.000 0.000 0.276 41 I C 0.302 176.432 176.117 0.021 0.000 1.056 41 I CA -0.119 61.158 61.300 -0.038 0.000 1.858 41 I CB -1.273 36.719 38.000 -0.013 0.000 1.448 41 I HN 0.326 nan 8.210 nan 0.000 0.776 42 K N 3.079 123.498 120.400 0.031 0.000 2.401 42 K HA 0.019 4.339 4.320 -0.000 0.000 0.278 42 K C 0.057 176.695 176.600 0.065 0.000 1.018 42 K CA 0.257 56.586 56.287 0.070 0.000 0.981 42 K CB 0.522 33.096 32.500 0.123 0.000 0.933 42 K HN 0.426 nan 8.250 nan 0.000 0.477 43 Q N 2.421 122.255 119.800 0.056 0.000 2.230 43 Q HA 0.510 4.850 4.340 -0.000 0.000 0.248 43 Q C -1.250 174.774 176.000 0.041 0.000 0.915 43 Q CA -0.895 54.931 55.803 0.039 0.000 0.900 43 Q CB 1.258 30.022 28.738 0.043 0.000 1.229 43 Q HN 0.407 nan 8.270 nan 0.000 0.439 44 V N 2.564 122.485 119.914 0.011 0.000 2.789 44 V HA 0.337 4.457 4.120 -0.000 0.000 0.311 44 V C -0.110 175.998 176.094 0.023 0.000 1.073 44 V CA -0.398 61.909 62.300 0.011 0.000 0.921 44 V CB 2.134 33.926 31.823 -0.052 0.000 1.009 44 V HN 1.058 nan 8.190 nan 0.000 0.426 45 T N 1.642 116.216 114.554 0.034 0.000 3.057 45 T HA 0.198 4.548 4.350 -0.000 0.000 0.254 45 T C 0.515 175.241 174.700 0.043 0.000 0.965 45 T CA 0.036 62.164 62.100 0.047 0.000 0.978 45 T CB 0.256 69.149 68.868 0.043 0.000 1.169 45 T HN 0.600 nan 8.240 nan 0.000 0.489 46 N N 1.151 119.869 118.700 0.031 0.000 2.502 46 N HA 0.325 5.065 4.740 -0.000 0.000 0.280 46 N C 0.808 176.330 175.510 0.020 0.000 1.223 46 N CA -0.562 52.505 53.050 0.029 0.000 0.966 46 N CB 1.365 39.871 38.487 0.033 0.000 1.203 46 N HN 0.125 nan 8.380 nan 0.000 0.565 47 E N 0.111 120.330 120.200 0.032 0.000 2.021 47 E HA -0.044 4.305 4.350 -0.000 0.000 0.189 47 E C 1.004 177.650 176.600 0.077 0.000 0.980 47 E CA 0.716 57.141 56.400 0.041 0.000 0.803 47 E CB 0.081 29.837 29.700 0.093 0.000 0.766 47 E HN 0.283 nan 8.360 nan 0.000 0.449 48 V N 1.820 121.791 119.914 0.095 0.000 3.140 48 V HA -0.183 3.937 4.120 -0.000 0.000 0.269 48 V C 1.594 177.732 176.094 0.074 0.000 1.149 48 V CA 1.871 64.234 62.300 0.105 0.000 1.162 48 V CB -0.528 31.346 31.823 0.085 0.000 0.756 48 V HN 0.266 nan 8.190 nan 0.000 0.523 49 D N -0.305 120.126 120.400 0.051 0.000 2.388 49 D HA 0.010 4.650 4.640 -0.000 0.000 0.208 49 D C 1.763 178.085 176.300 0.038 0.000 1.035 49 D CA 0.399 54.423 54.000 0.039 0.000 0.875 49 D CB 0.306 41.127 40.800 0.035 0.000 0.984 49 D HN 0.455 nan 8.370 nan 0.000 0.508 50 L N -1.378 119.855 121.223 0.017 0.000 2.202 50 L HA 0.177 4.517 4.340 -0.000 0.000 0.205 50 L C 1.943 178.844 176.870 0.053 0.000 1.083 50 L CA 0.904 55.756 54.840 0.020 0.000 0.790 50 L CB -1.074 40.870 42.059 -0.190 0.000 0.942 50 L HN -0.177 nan 8.230 nan 0.000 0.452 51 V N 1.547 121.503 119.914 0.070 0.000 2.255 51 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 51 V C 2.699 178.831 176.094 0.063 0.000 1.051 51 V CA 2.182 64.576 62.300 0.157 0.000 1.018 51 V CB -1.283 30.662 31.823 0.204 0.000 0.641 51 V HN 0.687 nan 8.190 nan 0.000 0.445 52 N N 0.230 118.955 118.700 0.042 0.000 2.133 52 N HA -0.212 4.528 4.740 -0.000 0.000 0.193 52 N C 1.557 177.048 175.510 -0.032 0.000 1.012 52 N CA 2.630 55.681 53.050 0.001 0.000 0.871 52 N CB -0.243 38.252 38.487 0.014 0.000 1.011 52 N HN 0.576 nan 8.380 nan 0.000 0.435 53 T N -2.380 112.138 114.554 -0.060 0.000 3.018 53 T HA 0.252 4.602 4.350 -0.000 0.000 0.246 53 T C -0.197 174.154 174.700 -0.582 0.000 1.026 53 T CA 0.221 62.136 62.100 -0.309 0.000 1.081 53 T CB 0.343 68.917 68.868 -0.490 0.000 0.970 53 T HN 0.188 nan 8.240 nan 0.000 0.475 54 F N 0.611 120.518 119.950 -0.072 0.000 2.520 54 F HA 0.442 4.969 4.527 -0.000 0.000 0.371 54 F C 1.491 177.292 175.800 0.002 0.000 1.540 54 F CA -1.144 56.791 58.000 -0.107 0.000 1.091 54 F CB 0.166 38.798 39.000 -0.613 0.000 1.488 54 F HN 0.076 nan 8.300 nan 0.000 0.538 55 G N -0.135 108.780 108.800 0.192 0.000 2.476 55 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.218 55 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.218 55 G C 0.803 175.746 174.900 0.072 0.000 1.164 55 G CA 0.961 46.177 45.100 0.194 0.000 0.768 55 G HN 0.244 nan 8.290 nan 0.000 0.560 56 Q N -0.102 119.566 119.800 -0.220 0.000 2.351 56 Q HA 0.393 4.733 4.340 -0.000 0.000 0.273 56 Q C -2.803 172.860 176.000 -0.562 0.000 1.077 56 Q CA -2.040 53.348 55.803 -0.691 0.000 0.843 56 Q CB 2.266 30.811 28.738 -0.322 0.000 1.367 56 Q HN 0.041 nan 8.270 nan 0.000 0.449 57 P HA 0.130 nan 4.420 nan 0.000 0.295 57 P C -0.527 176.684 177.300 -0.147 0.000 1.354 57 P CA -0.265 62.637 63.100 -0.330 0.000 0.814 57 P CB 0.661 32.130 31.700 -0.385 0.000 0.935 58 T N -0.052 114.480 114.554 -0.038 0.000 2.918 58 T HA 0.491 4.840 4.350 -0.000 0.000 0.283 58 T C 1.299 176.004 174.700 0.009 0.000 1.001 58 T CA -0.506 61.583 62.100 -0.019 0.000 1.041 58 T CB 0.996 69.868 68.868 0.008 0.000 1.028 58 T HN 0.195 nan 8.240 nan 0.000 0.511 59 A N 0.729 123.550 122.820 0.003 0.000 2.259 59 A HA 0.069 4.389 4.320 -0.000 0.000 0.212 59 A C 1.862 179.464 177.584 0.031 0.000 1.178 59 A CA 1.463 53.506 52.037 0.010 0.000 0.734 59 A CB -0.882 18.119 19.000 0.003 0.000 0.774 59 A HN 0.933 nan 8.150 nan 0.000 0.481 60 E N -2.138 118.086 120.200 0.040 0.000 2.511 60 E HA 0.102 4.452 4.350 -0.000 0.000 0.209 60 E C 1.333 177.987 176.600 0.089 0.000 0.986 60 E CA 1.005 57.437 56.400 0.053 0.000 0.974 60 E CB 0.360 30.076 29.700 0.027 0.000 1.030 60 E HN 0.322 nan 8.360 nan 0.000 0.490 61 T N -0.859 113.761 114.554 0.110 0.000 2.999 61 T HA 0.295 4.645 4.350 -0.000 0.000 0.247 61 T C 1.656 176.526 174.700 0.282 0.000 1.012 61 T CA 0.403 62.614 62.100 0.185 0.000 1.048 61 T CB 0.035 69.006 68.868 0.172 0.000 1.020 61 T HN 0.215 nan 8.240 nan 0.000 0.478 62 A N 2.810 125.725 122.820 0.159 0.000 1.861 62 A HA -0.362 3.958 4.320 -0.000 0.000 0.248 62 A C 1.796 179.481 177.584 0.168 0.000 2.075 62 A CA 2.655 54.768 52.037 0.127 0.000 0.818 62 A CB -1.275 17.754 19.000 0.048 0.000 0.844 62 A HN 0.419 nan 8.150 nan 0.000 0.498 63 D N -2.100 118.336 120.400 0.059 0.000 2.354 63 D HA -0.083 4.557 4.640 -0.000 0.000 0.216 63 D C 1.420 177.623 176.300 -0.161 0.000 0.970 63 D CA 1.216 55.169 54.000 -0.078 0.000 0.905 63 D CB -0.243 40.430 40.800 -0.210 0.000 0.903 63 D HN 0.758 nan 8.370 nan 0.000 0.508 64 Y N -1.578 118.794 120.300 0.120 0.000 2.441 64 Y HA 0.108 4.657 4.550 -0.000 0.000 0.288 64 Y C 1.923 178.027 175.900 0.340 0.000 1.118 64 Y CA -0.246 57.932 58.100 0.130 0.000 1.215 64 Y CB -0.479 37.866 38.460 -0.191 0.000 1.118 64 Y HN -0.115 nan 8.280 nan 0.000 0.547 65 F N 0.466 120.653 119.950 0.395 0.000 2.026 65 F HA -0.320 4.207 4.527 -0.000 0.000 0.296 65 F C 2.295 178.177 175.800 0.138 0.000 1.133 65 F CA 1.731 59.866 58.000 0.224 0.000 1.188 65 F CB -0.323 38.743 39.000 0.110 0.000 0.968 65 F HN -0.017 nan 8.300 nan 0.000 0.476 66 M N 0.289 120.160 119.600 0.453 0.000 2.110 66 M HA -0.291 4.189 4.480 -0.000 0.000 0.257 66 M C 2.554 178.959 176.300 0.176 0.000 1.071 66 M CA 2.056 57.532 55.300 0.294 0.000 1.096 66 M CB -1.264 31.462 32.600 0.210 0.000 1.300 66 M HN 0.236 nan 8.290 nan 0.000 0.411 67 S N -0.561 115.224 115.700 0.142 0.000 2.390 67 S HA -0.294 4.176 4.470 -0.000 0.000 0.234 67 S C 1.869 176.524 174.600 0.091 0.000 1.063 67 S CA 1.927 60.189 58.200 0.103 0.000 1.108 67 S CB -0.629 62.610 63.200 0.065 0.000 0.975 67 S HN 0.607 nan 8.310 nan 0.000 0.442 68 A N 1.356 124.188 122.820 0.019 0.000 1.825 68 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 68 A C 2.171 179.779 177.584 0.040 0.000 1.206 68 A CA 1.801 53.799 52.037 -0.065 0.000 0.609 68 A CB -1.055 17.792 19.000 -0.254 0.000 0.851 68 A HN 0.598 nan 8.150 nan 0.000 0.445 69 M N 0.854 120.406 119.600 -0.080 0.000 2.471 69 M HA -0.279 4.201 4.480 -0.000 0.000 0.260 69 M C 1.595 177.971 176.300 0.126 0.000 1.065 69 M CA 2.712 58.016 55.300 0.006 0.000 1.075 69 M CB -0.703 31.964 32.600 0.111 0.000 1.258 69 M HN 0.681 nan 8.290 nan 0.000 0.457 70 N N 0.363 119.165 118.700 0.170 0.000 2.567 70 N HA -0.135 4.605 4.740 -0.000 0.000 0.195 70 N C 0.889 176.570 175.510 0.286 0.000 1.242 70 N CA 0.699 53.856 53.050 0.178 0.000 0.884 70 N CB -0.947 37.647 38.487 0.179 0.000 1.007 70 N HN 0.636 nan 8.380 nan 0.000 0.450 71 F N 0.216 120.245 119.950 0.133 0.000 2.453 71 F HA 0.255 4.782 4.527 -0.000 0.000 0.284 71 F C 1.520 177.418 175.800 0.164 0.000 1.065 71 F CA -0.164 57.961 58.000 0.208 0.000 1.411 71 F CB 0.043 39.104 39.000 0.102 0.000 1.131 71 F HN -0.117 nan 8.300 nan 0.000 0.582 72 L N 1.592 122.982 121.223 0.278 0.000 2.556 72 L HA -0.173 4.167 4.340 -0.000 0.000 0.230 72 L C 2.014 178.813 176.870 -0.119 0.000 1.163 72 L CA 1.163 56.052 54.840 0.081 0.000 0.819 72 L CB -1.560 40.571 42.059 0.121 0.000 0.939 72 L HN 0.424 nan 8.230 nan 0.000 0.452 73 Q N -0.846 118.831 119.800 -0.206 0.000 2.172 73 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 73 Q C 1.298 176.952 176.000 -0.577 0.000 0.964 73 Q CA 1.380 56.933 55.803 -0.417 0.000 0.855 73 Q CB -0.136 28.249 28.738 -0.588 0.000 0.918 73 Q HN 0.633 nan 8.270 nan 0.000 0.444 74 Y N -0.940 119.179 120.300 -0.302 0.000 2.584 74 Y HA 0.481 5.031 4.550 -0.000 0.000 0.254 74 Y C 1.046 176.670 175.900 -0.460 0.000 1.177 74 Y CA -0.526 57.383 58.100 -0.319 0.000 1.216 74 Y CB 0.531 38.810 38.460 -0.301 0.000 1.172 74 Y HN -0.122 nan 8.280 nan 0.000 0.529 75 G N 0.342 108.896 108.800 -0.409 0.000 2.379 75 G HA2 0.279 4.239 3.960 -0.000 0.000 0.327 75 G HA3 0.279 4.239 3.960 -0.000 0.000 0.327 75 G C -0.114 174.752 174.900 -0.056 0.000 1.145 75 G CA -0.511 44.324 45.100 -0.442 0.000 0.905 75 G HN 0.052 nan 8.290 nan 0.000 0.466 76 N N 0.757 119.485 118.700 0.046 0.000 2.335 76 N HA 0.027 4.767 4.740 -0.000 0.000 0.197 76 N C 0.094 175.676 175.510 0.121 0.000 1.045 76 N CA 0.591 53.684 53.050 0.071 0.000 0.928 76 N CB 0.050 38.574 38.487 0.062 0.000 1.118 76 N HN 0.698 nan 8.380 nan 0.000 0.471 77 D N 0.251 120.746 120.400 0.160 0.000 2.481 77 D HA 0.439 5.079 4.640 -0.000 0.000 0.244 77 D C -1.057 175.326 176.300 0.137 0.000 1.057 77 D CA -0.598 53.480 54.000 0.129 0.000 0.848 77 D CB 2.155 43.004 40.800 0.082 0.000 1.388 77 D HN 0.017 nan 8.370 nan 0.000 0.475 78 L N 1.604 122.852 121.223 0.042 0.000 2.410 78 L HA 0.523 4.863 4.340 -0.000 0.000 0.270 78 L C -1.099 175.710 176.870 -0.102 0.000 0.983 78 L CA -0.460 54.312 54.840 -0.113 0.000 0.822 78 L CB 1.653 43.588 42.059 -0.206 0.000 1.285 78 L HN 0.317 nan 8.230 nan 0.000 0.409 79 R N 4.862 125.295 120.500 -0.112 0.000 2.295 79 R HA 0.679 5.019 4.340 -0.000 0.000 0.324 79 R C -0.703 175.581 176.300 -0.026 0.000 0.968 79 R CA -0.590 55.507 56.100 -0.004 0.000 0.837 79 R CB 1.561 31.952 30.300 0.150 0.000 1.133 79 R HN 0.552 nan 8.270 nan 0.000 0.450 80 V N -0.274 119.595 119.914 -0.076 0.000 3.019 80 V HA 0.793 4.912 4.120 -0.000 0.000 0.317 80 V C -0.585 175.425 176.094 -0.140 0.000 1.094 80 V CA -0.760 61.437 62.300 -0.172 0.000 1.000 80 V CB 2.592 34.113 31.823 -0.502 0.000 1.060 80 V HN 0.350 nan 8.190 nan 0.000 0.443 81 V N 3.195 122.970 119.914 -0.231 0.000 2.577 81 V HA 0.491 4.610 4.120 -0.000 0.000 0.294 81 V C -0.062 175.770 176.094 -0.438 0.000 1.052 81 V CA -0.564 61.511 62.300 -0.376 0.000 0.891 81 V CB 1.482 32.977 31.823 -0.547 0.000 1.017 81 V HN 1.070 nan 8.190 nan 0.000 0.436 82 R N 3.516 123.811 120.500 -0.342 0.000 2.347 82 R HA 0.591 4.931 4.340 -0.000 0.000 0.304 82 R C 0.143 175.986 176.300 -0.761 0.000 1.072 82 R CA -0.034 55.861 56.100 -0.341 0.000 0.980 82 R CB 1.010 31.273 30.300 -0.061 0.000 0.986 82 R HN 0.844 nan 8.270 nan 0.000 0.448 83 A N 5.038 127.405 122.820 -0.755 0.000 2.302 83 A HA 0.351 4.671 4.320 -0.000 0.000 0.295 83 A C -0.471 176.804 177.584 -0.515 0.000 1.235 83 A CA -0.504 51.068 52.037 -0.776 0.000 0.876 83 A CB 0.968 19.638 19.000 -0.550 0.000 1.133 83 A HN 0.528 nan 8.150 nan 0.000 0.533 84 V N 2.515 122.165 119.914 -0.439 0.000 2.881 84 V HA 0.272 4.392 4.120 -0.000 0.000 0.316 84 V C -0.021 176.104 176.094 0.052 0.000 1.070 84 V CA -0.563 61.663 62.300 -0.123 0.000 0.976 84 V CB 2.139 33.937 31.823 -0.042 0.000 1.038 84 V HN 1.062 nan 8.190 nan 0.000 0.446 85 D N 1.531 121.948 120.400 0.028 0.000 2.341 85 D HA 0.246 4.885 4.640 -0.000 0.000 0.245 85 D C 0.819 177.164 176.300 0.075 0.000 1.106 85 D CA -0.096 53.935 54.000 0.051 0.000 0.905 85 D CB 1.123 41.933 40.800 0.017 0.000 1.202 85 D HN 0.367 nan 8.370 nan 0.000 0.426 86 R N 1.004 121.544 120.500 0.066 0.000 2.140 86 R HA 0.110 4.450 4.340 -0.000 0.000 0.213 86 R C 0.607 176.905 176.300 -0.003 0.000 1.059 86 R CA 0.851 56.967 56.100 0.026 0.000 1.000 86 R CB 0.291 30.573 30.300 -0.029 0.000 0.910 86 R HN 0.520 nan 8.270 nan 0.000 0.455 87 D N -1.165 119.235 120.400 -0.000 0.000 2.340 87 D HA 0.021 4.660 4.640 -0.000 0.000 0.220 87 D C 0.461 176.757 176.300 -0.008 0.000 1.039 87 D CA 1.132 55.126 54.000 -0.009 0.000 0.866 87 D CB 0.887 41.684 40.800 -0.006 0.000 0.913 87 D HN 0.388 nan 8.370 nan 0.000 0.523 88 T N -3.195 111.356 114.554 -0.005 0.000 3.154 88 T HA 0.270 4.620 4.350 -0.000 0.000 0.258 88 T C 1.005 175.700 174.700 -0.008 0.000 0.899 88 T CA -0.110 61.987 62.100 -0.006 0.000 0.908 88 T CB 0.303 69.171 68.868 -0.001 0.000 1.260 88 T HN 0.068 nan 8.240 nan 0.000 0.521 89 A N 2.593 125.408 122.820 -0.008 0.000 2.587 89 A HA 0.474 4.794 4.320 -0.000 0.000 0.233 89 A C 0.049 177.619 177.584 -0.024 0.000 1.049 89 A CA 0.299 52.328 52.037 -0.012 0.000 0.754 89 A CB 0.074 19.065 19.000 -0.015 0.000 0.977 89 A HN 0.350 nan 8.150 nan 0.000 0.509 90 K N 1.606 121.995 120.400 -0.020 0.000 2.426 90 K HA 0.402 4.722 4.320 -0.000 0.000 0.251 90 K C -1.442 175.140 176.600 -0.031 0.000 0.941 90 K CA -0.886 55.382 56.287 -0.031 0.000 0.808 90 K CB 1.681 34.174 32.500 -0.013 0.000 1.265 90 K HN 0.668 nan 8.250 nan 0.000 0.432 91 N N 0.154 118.816 118.700 -0.062 0.000 2.421 91 N HA 0.234 4.973 4.740 -0.000 0.000 0.285 91 N C -0.758 174.747 175.510 -0.009 0.000 1.027 91 N CA -0.242 52.776 53.050 -0.054 0.000 0.918 91 N CB 1.059 39.470 38.487 -0.126 0.000 1.152 91 N HN 0.353 nan 8.380 nan 0.000 0.485 92 S N 0.665 116.393 115.700 0.047 0.000 2.553 92 S HA 0.222 4.692 4.470 -0.000 0.000 0.293 92 S C 0.523 175.148 174.600 0.042 0.000 1.296 92 S CA -0.173 58.064 58.200 0.061 0.000 1.046 92 S CB -0.062 63.199 63.200 0.102 0.000 0.810 92 S HN 0.723 nan 8.310 nan 0.000 0.505 93 S N 1.431 117.159 115.700 0.047 0.000 2.656 93 S HA 0.620 5.090 4.470 -0.000 0.000 0.273 93 S C -2.991 171.634 174.600 0.041 0.000 1.168 93 S CA -1.311 56.927 58.200 0.064 0.000 0.817 93 S CB 1.485 64.758 63.200 0.121 0.000 1.146 93 S HN 0.312 nan 8.310 nan 0.000 0.475 94 P HA 0.290 nan 4.420 nan 0.000 0.234 94 P C 1.230 178.498 177.300 -0.052 0.000 1.175 94 P CA 0.032 63.115 63.100 -0.027 0.000 0.801 94 P CB -0.144 31.498 31.700 -0.096 0.000 0.891 95 I N 0.445 120.990 120.570 -0.042 0.000 2.091 95 I HA -0.254 3.916 4.170 -0.000 0.000 0.239 95 I C 1.847 177.887 176.117 -0.128 0.000 1.061 95 I CA 1.561 62.798 61.300 -0.105 0.000 1.317 95 I CB -1.565 36.421 38.000 -0.023 0.000 1.031 95 I HN 0.016 nan 8.210 nan 0.000 0.401 96 A N 0.079 122.868 122.820 -0.051 0.000 5.476 96 A HA -0.313 4.007 4.320 -0.000 0.000 0.327 96 A C 1.707 179.250 177.584 -0.067 0.000 1.778 96 A CA 1.666 53.681 52.037 -0.037 0.000 0.721 96 A CB -2.059 16.932 19.000 -0.015 0.000 1.388 96 A HN 0.755 nan 8.150 nan 0.000 0.397 97 G N 0.318 109.089 108.800 -0.048 0.000 3.452 97 G HA2 0.388 4.348 3.960 -0.000 0.000 0.258 97 G HA3 0.388 4.348 3.960 -0.000 0.000 0.258 97 G C 0.191 175.033 174.900 -0.097 0.000 1.305 97 G CA 0.805 45.878 45.100 -0.045 0.000 1.514 97 G HN 0.788 nan 8.290 nan 0.000 0.593 98 N N -0.496 118.089 118.700 -0.191 0.000 2.366 98 N HA 0.530 5.270 4.740 -0.000 0.000 0.277 98 N C -0.535 174.845 175.510 -0.218 0.000 1.275 98 N CA -0.528 52.342 53.050 -0.301 0.000 0.964 98 N CB 1.151 39.189 38.487 -0.747 0.000 1.167 98 N HN 0.162 nan 8.380 nan 0.000 0.568 99 I N 0.446 120.933 120.570 -0.139 0.000 2.447 99 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 99 I C -0.647 175.586 176.117 0.195 0.000 1.023 99 I CA -0.675 60.627 61.300 0.003 0.000 1.083 99 I CB 0.988 38.999 38.000 0.018 0.000 1.245 99 I HN 0.517 nan 8.210 nan 0.000 0.434 100 E N 7.151 127.415 120.200 0.106 0.000 2.604 100 E HA -0.036 4.313 4.350 -0.000 0.000 0.267 100 E C -1.457 175.283 176.600 0.233 0.000 0.970 100 E CA 1.047 57.525 56.400 0.130 0.000 0.956 100 E CB 0.382 30.102 29.700 0.034 0.000 0.939 100 E HN 0.585 nan 8.360 nan 0.000 0.465 101 Y N -2.182 118.164 120.300 0.075 0.000 2.521 101 Y HA 0.385 4.935 4.550 -0.000 0.000 0.326 101 Y C -1.477 174.417 175.900 -0.010 0.000 1.176 101 Y CA -0.914 57.205 58.100 0.031 0.000 1.079 101 Y CB 1.015 39.500 38.460 0.041 0.000 1.341 101 Y HN 0.195 nan 8.280 nan 0.000 0.456 102 T N 4.819 119.436 114.554 0.106 0.000 2.949 102 T HA 0.417 4.767 4.350 -0.000 0.000 0.300 102 T C -0.417 174.338 174.700 0.093 0.000 0.988 102 T CA -0.567 61.531 62.100 -0.003 0.000 0.993 102 T CB 1.163 70.013 68.868 -0.031 0.000 0.984 102 T HN 0.731 nan 8.240 nan 0.000 0.442 103 I N 3.052 123.678 120.570 0.092 0.000 2.624 103 I HA -0.009 4.161 4.170 -0.000 0.000 0.307 103 I C 1.594 177.727 176.117 0.026 0.000 1.191 103 I CA 0.009 61.349 61.300 0.067 0.000 1.708 103 I CB -0.134 37.896 38.000 0.051 0.000 1.521 103 I HN 0.699 nan 8.210 nan 0.000 0.805 104 S N 2.759 118.476 115.700 0.029 0.000 2.387 104 S HA -0.115 4.355 4.470 -0.000 0.000 0.230 104 S C 0.885 175.494 174.600 0.016 0.000 1.035 104 S CA 1.379 59.591 58.200 0.020 0.000 1.014 104 S CB -0.018 63.197 63.200 0.026 0.000 0.836 104 S HN 0.674 nan 8.310 nan 0.000 0.466 105 T N 2.498 117.061 114.554 0.015 0.000 3.066 105 T HA 0.346 4.696 4.350 -0.000 0.000 0.318 105 T C -3.034 171.672 174.700 0.010 0.000 0.979 105 T CA -1.193 60.918 62.100 0.018 0.000 1.025 105 T CB 1.872 70.757 68.868 0.028 0.000 1.002 105 T HN -0.107 nan 8.240 nan 0.000 0.453 106 P HA 0.225 nan 4.420 nan 0.000 0.264 106 P C 0.770 178.098 177.300 0.048 0.000 1.193 106 P CA 0.134 63.236 63.100 0.002 0.000 0.763 106 P CB 0.497 32.207 31.700 0.016 0.000 0.810 107 G N 2.259 111.096 108.800 0.062 0.000 2.468 107 G HA2 0.445 4.405 3.960 -0.000 0.000 0.264 107 G HA3 0.445 4.405 3.960 -0.000 0.000 0.264 107 G C -0.352 174.717 174.900 0.283 0.000 1.460 107 G CA -0.133 45.156 45.100 0.315 0.000 1.060 107 G HN 0.629 nan 8.290 nan 0.000 0.543 108 S N -2.577 113.305 115.700 0.304 0.000 2.618 108 S HA 0.418 4.888 4.470 -0.000 0.000 0.277 108 S C 0.083 174.716 174.600 0.054 0.000 1.138 108 S CA -0.242 58.049 58.200 0.151 0.000 0.844 108 S CB 1.820 65.059 63.200 0.066 0.000 1.127 108 S HN 0.700 nan 8.310 nan 0.000 0.474 109 N N -0.491 118.226 118.700 0.029 0.000 2.681 109 N HA -0.168 4.571 4.740 -0.000 0.000 0.250 109 N C -0.855 174.592 175.510 -0.104 0.000 1.133 109 N CA 1.181 54.203 53.050 -0.046 0.000 0.732 109 N CB -1.723 36.706 38.487 -0.097 0.000 1.107 109 N HN 0.706 nan 8.380 nan 0.000 0.559 110 Y N 0.208 120.512 120.300 0.007 0.000 2.289 110 Y HA 0.554 5.104 4.550 -0.000 0.000 0.332 110 Y C 1.039 176.943 175.900 0.007 0.000 1.324 110 Y CA 0.274 58.377 58.100 0.006 0.000 1.478 110 Y CB 0.901 39.365 38.460 0.007 0.000 1.378 110 Y HN 0.162 nan 8.280 nan 0.000 0.558 111 A N -0.255 122.683 122.820 0.196 0.000 2.594 111 A HA 0.595 4.915 4.320 -0.000 0.000 0.295 111 A C -1.331 176.305 177.584 0.087 0.000 1.071 111 A CA -0.832 51.269 52.037 0.106 0.000 0.685 111 A CB 0.382 19.420 19.000 0.063 0.000 1.285 111 A HN 0.434 nan 8.150 nan 0.000 0.405 112 V N 0.932 120.882 119.914 0.060 0.000 3.061 112 V HA 0.344 4.464 4.120 -0.000 0.000 0.306 112 V C 1.753 177.872 176.094 0.041 0.000 1.118 112 V CA 1.832 64.159 62.300 0.045 0.000 1.231 112 V CB 0.548 32.394 31.823 0.038 0.000 0.956 112 V HN 2.475 nan 8.190 nan 0.000 0.499 113 G N 2.193 111.012 108.800 0.032 0.000 2.160 113 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.251 113 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.251 113 G C -0.177 174.742 174.900 0.032 0.000 1.008 113 G CA 0.195 45.311 45.100 0.026 0.000 0.724 113 G HN 0.758 nan 8.290 nan 0.000 0.514 114 D N 0.693 121.120 120.400 0.046 0.000 2.225 114 D HA 0.387 5.026 4.640 -0.000 0.000 0.248 114 D C 0.769 177.092 176.300 0.038 0.000 1.096 114 D CA -0.012 54.025 54.000 0.062 0.000 0.863 114 D CB 0.901 41.776 40.800 0.125 0.000 1.156 114 D HN 0.288 nan 8.370 nan 0.000 0.450 115 K N 1.920 122.339 120.400 0.032 0.000 2.185 115 K HA 0.473 4.793 4.320 -0.000 0.000 0.271 115 K C 0.159 176.768 176.600 0.014 0.000 1.013 115 K CA -0.457 55.840 56.287 0.015 0.000 0.943 115 K CB 1.448 33.956 32.500 0.013 0.000 0.998 115 K HN 0.346 nan 8.250 nan 0.000 0.468 116 I N 0.828 121.396 120.570 -0.003 0.000 2.603 116 I HA 0.263 4.433 4.170 -0.000 0.000 0.300 116 I C -0.263 175.858 176.117 0.006 0.000 1.017 116 I CA -0.738 60.557 61.300 -0.008 0.000 1.098 116 I CB 2.312 40.285 38.000 -0.045 0.000 1.279 116 I HN 0.445 nan 8.210 nan 0.000 0.437 117 T N 4.035 118.600 114.554 0.019 0.000 2.879 117 T HA 0.410 4.760 4.350 -0.000 0.000 0.290 117 T C -0.557 174.177 174.700 0.056 0.000 0.993 117 T CA -0.445 61.676 62.100 0.036 0.000 0.975 117 T CB 1.824 70.713 68.868 0.036 0.000 0.981 117 T HN 0.185 nan 8.240 nan 0.000 0.439 118 V N 4.589 124.552 119.914 0.082 0.000 2.370 118 V HA 0.440 4.560 4.120 -0.000 0.000 0.279 118 V C 0.096 176.287 176.094 0.161 0.000 1.029 118 V CA -0.762 61.620 62.300 0.136 0.000 0.870 118 V CB 0.970 32.896 31.823 0.171 0.000 0.984 118 V HN 0.711 nan 8.190 nan 0.000 0.451 119 K N 3.570 124.058 120.400 0.145 0.000 2.156 119 K HA 0.516 4.836 4.320 -0.000 0.000 0.254 119 K C -1.313 175.329 176.600 0.071 0.000 0.950 119 K CA -0.878 55.467 56.287 0.096 0.000 0.849 119 K CB 2.026 34.552 32.500 0.043 0.000 1.100 119 K HN 0.580 nan 8.250 nan 0.000 0.434 120 Y N 2.604 122.761 120.300 -0.238 0.000 2.491 120 Y HA 0.163 4.712 4.550 -0.000 0.000 0.334 120 Y C -0.529 175.160 175.900 -0.352 0.000 0.969 120 Y CA -1.529 56.231 58.100 -0.566 0.000 1.241 120 Y CB -0.081 37.896 38.460 -0.805 0.000 1.105 120 Y HN 0.399 nan 8.280 nan 0.000 0.503 121 V N 4.712 124.450 119.914 -0.294 0.000 5.981 121 V HA -0.294 3.826 4.120 -0.000 0.000 0.233 121 V C 0.833 176.807 176.094 -0.200 0.000 0.653 121 V CA 1.193 63.314 62.300 -0.299 0.000 0.677 121 V CB -2.460 29.066 31.823 -0.495 0.000 0.632 121 V HN 0.955 nan 8.190 nan 0.000 0.464 122 S N -0.241 115.394 115.700 -0.107 0.000 3.521 122 S HA -0.206 4.263 4.470 -0.000 0.000 0.362 122 S C 0.117 174.676 174.600 -0.070 0.000 1.044 122 S CA 1.502 59.660 58.200 -0.069 0.000 1.091 122 S CB -0.598 62.563 63.200 -0.064 0.000 0.908 122 S HN 1.058 nan 8.310 nan 0.000 0.473 123 D N 0.868 121.226 120.400 -0.071 0.000 2.863 123 D HA 0.332 4.972 4.640 -0.000 0.000 0.245 123 D C -1.105 175.196 176.300 0.002 0.000 1.211 123 D CA -0.562 53.408 54.000 -0.050 0.000 0.888 123 D CB 1.293 42.036 40.800 -0.095 0.000 1.483 123 D HN -0.044 nan 8.370 nan 0.000 0.533 124 D N 3.528 123.938 120.400 0.017 0.000 2.417 124 D HA 0.113 4.752 4.640 -0.000 0.000 0.250 124 D C 1.186 177.527 176.300 0.068 0.000 1.166 124 D CA -0.099 53.927 54.000 0.043 0.000 0.881 124 D CB 1.249 42.068 40.800 0.032 0.000 1.164 124 D HN 0.312 nan 8.370 nan 0.000 0.467 125 I N 0.613 121.246 120.570 0.105 0.000 3.345 125 I HA 0.098 4.268 4.170 -0.000 0.000 0.258 125 I C 0.680 176.860 176.117 0.106 0.000 1.134 125 I CA 0.352 61.732 61.300 0.134 0.000 1.457 125 I CB -0.323 37.819 38.000 0.237 0.000 1.425 125 I HN 0.264 nan 8.210 nan 0.000 0.461 126 E N 1.473 121.737 120.200 0.106 0.000 2.222 126 E HA 0.370 4.720 4.350 -0.000 0.000 0.267 126 E C -0.060 176.570 176.600 0.050 0.000 0.884 126 E CA -0.159 56.282 56.400 0.069 0.000 0.764 126 E CB 1.408 31.149 29.700 0.068 0.000 1.169 126 E HN 0.230 nan 8.360 nan 0.000 0.413 127 T N 0.852 115.424 114.554 0.030 0.000 3.399 127 T HA 0.299 4.649 4.350 -0.000 0.000 0.305 127 T C -0.029 174.676 174.700 0.008 0.000 0.983 127 T CA -0.486 61.626 62.100 0.021 0.000 0.967 127 T CB 0.072 68.952 68.868 0.021 0.000 1.186 127 T HN 0.281 nan 8.240 nan 0.000 0.504 128 E N 1.174 121.374 120.200 0.000 0.000 2.583 128 E HA 0.332 4.682 4.350 -0.000 0.000 0.213 128 E C 1.196 177.783 176.600 -0.021 0.000 0.989 128 E CA -0.177 56.215 56.400 -0.013 0.000 0.991 128 E CB 0.664 30.350 29.700 -0.023 0.000 1.040 128 E HN 0.698 nan 8.360 nan 0.000 0.481 129 G N 2.017 110.807 108.800 -0.018 0.000 2.699 129 G HA2 0.249 4.209 3.960 -0.000 0.000 0.246 129 G HA3 0.249 4.209 3.960 -0.000 0.000 0.246 129 G C -0.177 174.706 174.900 -0.029 0.000 1.219 129 G CA -0.153 44.929 45.100 -0.031 0.000 0.866 129 G HN 0.095 nan 8.290 nan 0.000 0.572 130 K N 0.190 120.566 120.400 -0.040 0.000 2.584 130 K HA 0.234 4.554 4.320 -0.000 0.000 0.260 130 K C -0.747 175.830 176.600 -0.038 0.000 0.949 130 K CA -0.948 55.322 56.287 -0.027 0.000 0.888 130 K CB 0.802 33.297 32.500 -0.009 0.000 1.330 130 K HN 0.359 nan 8.250 nan 0.000 0.432 131 I N 2.559 123.104 120.570 -0.042 0.000 2.948 131 I HA -0.173 3.997 4.170 -0.000 0.000 0.303 131 I C 1.057 177.168 176.117 -0.010 0.000 1.224 131 I CA 1.080 62.352 61.300 -0.047 0.000 1.442 131 I CB 0.477 38.455 38.000 -0.037 0.000 1.328 131 I HN 1.029 nan 8.210 nan 0.000 0.578 132 T N 0.377 114.928 114.554 -0.005 0.000 3.009 132 T HA 0.225 4.575 4.350 -0.000 0.000 0.267 132 T C 0.113 174.830 174.700 0.028 0.000 0.942 132 T CA -0.401 61.712 62.100 0.022 0.000 0.883 132 T CB 0.314 69.206 68.868 0.040 0.000 1.192 132 T HN 0.677 nan 8.240 nan 0.000 0.524 133 E N 1.401 121.611 120.200 0.018 0.000 2.313 133 E HA 0.499 4.849 4.350 -0.000 0.000 0.280 133 E C -1.174 175.438 176.600 0.019 0.000 0.898 133 E CA -0.725 55.688 56.400 0.022 0.000 0.803 133 E CB 2.416 32.129 29.700 0.021 0.000 1.286 133 E HN 0.283 nan 8.360 nan 0.000 0.401 134 V N 0.778 120.710 119.914 0.029 0.000 3.158 134 V HA 0.647 4.767 4.120 -0.000 0.000 0.315 134 V C 0.017 176.131 176.094 0.034 0.000 1.148 134 V CA -0.694 61.628 62.300 0.036 0.000 1.042 134 V CB 1.643 33.503 31.823 0.061 0.000 1.101 134 V HN 0.755 nan 8.190 nan 0.000 0.448 135 D N 1.250 121.672 120.400 0.036 0.000 2.481 135 D HA 0.528 5.168 4.640 -0.000 0.000 0.283 135 D C 1.166 177.486 176.300 0.033 0.000 1.192 135 D CA 0.122 54.141 54.000 0.031 0.000 1.100 135 D CB 0.576 41.392 40.800 0.026 0.000 1.166 135 D HN 0.752 nan 8.370 nan 0.000 0.584 136 A N -0.912 121.925 122.820 0.028 0.000 2.067 136 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 136 A C 1.121 178.722 177.584 0.028 0.000 1.156 136 A CA 1.164 53.217 52.037 0.026 0.000 0.683 136 A CB -0.434 18.578 19.000 0.020 0.000 0.808 136 A HN 0.440 nan 8.150 nan 0.000 0.455 137 D N -1.518 118.903 120.400 0.034 0.000 2.349 137 D HA 0.278 4.917 4.640 -0.000 0.000 0.214 137 D C 1.315 177.647 176.300 0.054 0.000 1.063 137 D CA 0.975 54.997 54.000 0.036 0.000 0.847 137 D CB 0.273 41.094 40.800 0.035 0.000 0.933 137 D HN 0.537 nan 8.370 nan 0.000 0.513 138 G N 1.278 110.119 108.800 0.069 0.000 2.176 138 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.253 138 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.253 138 G C 0.214 175.210 174.900 0.160 0.000 0.979 138 G CA -0.250 44.919 45.100 0.114 0.000 0.641 138 G HN 0.303 nan 8.290 nan 0.000 0.530 139 K N 0.701 121.163 120.400 0.104 0.000 2.472 139 K HA 0.302 4.622 4.320 -0.000 0.000 0.280 139 K C 1.030 177.657 176.600 0.045 0.000 1.028 139 K CA -0.018 56.319 56.287 0.083 0.000 1.045 139 K CB 0.553 33.084 32.500 0.051 0.000 0.902 139 K HN 0.379 nan 8.250 nan 0.000 0.478 140 I N 4.690 125.255 120.570 -0.008 0.000 2.581 140 I HA -0.076 4.094 4.170 -0.000 0.000 0.285 140 I C 1.207 177.306 176.117 -0.029 0.000 1.129 140 I CA 0.164 61.423 61.300 -0.068 0.000 1.397 140 I CB 0.398 38.272 38.000 -0.210 0.000 1.399 140 I HN 0.531 nan 8.210 nan 0.000 0.537 141 K N 5.152 125.546 120.400 -0.010 0.000 2.313 141 K HA 0.219 4.539 4.320 -0.000 0.000 0.197 141 K C 0.415 177.022 176.600 0.013 0.000 1.061 141 K CA 0.556 56.843 56.287 0.001 0.000 0.980 141 K CB 0.561 33.064 32.500 0.004 0.000 0.888 141 K HN 0.512 nan 8.250 nan 0.000 0.502 142 K N 0.998 121.406 120.400 0.012 0.000 2.542 142 K HA 0.326 4.646 4.320 -0.000 0.000 0.259 142 K C -1.295 175.302 176.600 -0.006 0.000 0.932 142 K CA -0.514 55.795 56.287 0.036 0.000 0.820 142 K CB 1.632 34.147 32.500 0.025 0.000 1.345 142 K HN 0.036 nan 8.250 nan 0.000 0.432 143 I N -0.310 120.231 120.570 -0.049 0.000 3.206 143 I HA 0.617 4.786 4.170 -0.000 0.000 0.313 143 I C -1.476 174.559 176.117 -0.137 0.000 1.103 143 I CA -0.883 60.321 61.300 -0.161 0.000 0.985 143 I CB 2.451 40.250 38.000 -0.335 0.000 1.240 143 I HN 0.560 nan 8.210 nan 0.000 0.464 144 N N 3.080 121.721 118.700 -0.098 0.000 2.571 144 N HA 0.439 5.179 4.740 -0.000 0.000 0.286 144 N C -1.833 173.665 175.510 -0.021 0.000 1.138 144 N CA -0.360 52.697 53.050 0.011 0.000 0.859 144 N CB 1.894 40.455 38.487 0.123 0.000 1.414 144 N HN 0.647 nan 8.380 nan 0.000 0.529 145 I N 3.957 124.513 120.570 -0.023 0.000 2.312 145 I HA 0.350 4.519 4.170 -0.000 0.000 0.290 145 I C -2.086 174.036 176.117 0.009 0.000 1.008 145 I CA -1.999 59.286 61.300 -0.024 0.000 1.226 145 I CB 1.580 39.553 38.000 -0.045 0.000 1.371 145 I HN 0.207 nan 8.210 nan 0.000 0.468 146 P HA 0.108 nan 4.420 nan 0.000 0.271 146 P C 0.562 177.852 177.300 -0.017 0.000 1.216 146 P CA -0.192 62.892 63.100 -0.027 0.000 0.776 146 P CB 0.679 32.347 31.700 -0.054 0.000 0.881 147 T N -1.731 112.811 114.554 -0.020 0.000 3.044 147 T HA 0.316 4.666 4.350 -0.000 0.000 0.260 147 T C 1.509 176.199 174.700 -0.018 0.000 1.019 147 T CA 0.339 62.423 62.100 -0.025 0.000 0.921 147 T CB -0.314 68.531 68.868 -0.038 0.000 1.053 147 T HN 0.223 nan 8.240 nan 0.000 0.533 148 A N 3.210 126.021 122.820 -0.015 0.000 1.859 148 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 148 A C 2.345 179.927 177.584 -0.003 0.000 1.198 148 A CA 1.875 53.905 52.037 -0.012 0.000 0.629 148 A CB -0.632 18.358 19.000 -0.016 0.000 0.830 148 A HN 0.559 nan 8.150 nan 0.000 0.446 149 K N -0.278 120.127 120.400 0.009 0.000 2.057 149 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 149 K C 1.924 178.555 176.600 0.052 0.000 1.050 149 K CA 1.640 57.947 56.287 0.033 0.000 0.935 149 K CB -0.465 32.063 32.500 0.046 0.000 0.715 149 K HN 0.754 nan 8.250 nan 0.000 0.439 150 I N 0.506 121.097 120.570 0.036 0.000 2.233 150 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 150 I C 2.573 178.645 176.117 -0.076 0.000 1.093 150 I CA 1.108 62.415 61.300 0.011 0.000 1.380 150 I CB -0.946 37.014 38.000 -0.068 0.000 1.067 150 I HN 0.083 nan 8.210 nan 0.000 0.413 151 I N 1.209 121.746 120.570 -0.055 0.000 2.335 151 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 151 I C 2.685 178.780 176.117 -0.037 0.000 1.129 151 I CA 1.514 62.819 61.300 0.009 0.000 1.402 151 I CB -0.475 37.580 38.000 0.092 0.000 1.069 151 I HN 0.153 nan 8.210 nan 0.000 0.424 152 A N 1.986 124.791 122.820 -0.024 0.000 1.828 152 A HA -0.253 4.067 4.320 -0.000 0.000 0.215 152 A C 2.364 179.963 177.584 0.025 0.000 1.203 152 A CA 2.329 54.353 52.037 -0.021 0.000 0.614 152 A CB -0.881 18.120 19.000 0.003 0.000 0.844 152 A HN 0.459 nan 8.150 nan 0.000 0.445 153 K N 0.067 120.523 120.400 0.094 0.000 2.127 153 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 153 K C 1.899 178.614 176.600 0.192 0.000 1.047 153 K CA 1.973 58.365 56.287 0.175 0.000 0.927 153 K CB -0.566 32.108 32.500 0.292 0.000 0.716 153 K HN 0.398 nan 8.250 nan 0.000 0.450 154 A N 0.520 123.426 122.820 0.144 0.000 1.873 154 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 154 A C 2.003 179.657 177.584 0.117 0.000 1.186 154 A CA 1.736 53.845 52.037 0.120 0.000 0.616 154 A CB -0.458 18.463 19.000 -0.132 0.000 0.823 154 A HN 0.349 nan 8.150 nan 0.000 0.442 155 K N -0.407 120.002 120.400 0.016 0.000 2.063 155 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 155 K C 2.055 178.655 176.600 0.001 0.000 1.048 155 K CA 1.601 57.840 56.287 -0.081 0.000 0.928 155 K CB -0.136 32.196 32.500 -0.280 0.000 0.713 155 K HN 0.737 nan 8.250 nan 0.000 0.442 156 E N 1.049 121.267 120.200 0.030 0.000 2.333 156 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 156 E C 0.705 177.358 176.600 0.089 0.000 1.007 156 E CA 1.141 57.573 56.400 0.053 0.000 0.845 156 E CB 0.325 30.065 29.700 0.066 0.000 0.766 156 E HN 0.193 nan 8.360 nan 0.000 0.507 157 V N -3.641 116.346 119.914 0.122 0.000 2.925 157 V HA 0.526 4.646 4.120 -0.000 0.000 0.361 157 V C 0.855 177.039 176.094 0.150 0.000 1.361 157 V CA 0.025 62.417 62.300 0.153 0.000 1.184 157 V CB 0.051 32.015 31.823 0.234 0.000 1.245 157 V HN 0.204 nan 8.190 nan 0.000 0.575 158 G N 1.126 109.999 108.800 0.121 0.000 2.257 158 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.267 158 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.267 158 G C 0.303 175.285 174.900 0.137 0.000 0.984 158 G CA 0.763 45.933 45.100 0.116 0.000 0.626 158 G HN 0.704 nan 8.290 nan 0.000 0.540 159 E N -0.173 120.128 120.200 0.169 0.000 2.368 159 E HA 0.400 4.750 4.350 -0.000 0.000 0.283 159 E C -0.622 176.037 176.600 0.097 0.000 1.476 159 E CA -0.381 56.118 56.400 0.166 0.000 1.786 159 E CB 0.090 29.978 29.700 0.313 0.000 1.518 159 E HN 0.565 nan 8.360 nan 0.000 0.456 160 Y N 0.569 120.847 120.300 -0.036 0.000 2.373 160 Y HA 0.319 4.869 4.550 -0.000 0.000 0.336 160 Y C -2.273 173.592 175.900 -0.059 0.000 0.979 160 Y CA -2.188 55.861 58.100 -0.086 0.000 1.080 160 Y CB 1.806 40.219 38.460 -0.078 0.000 1.190 160 Y HN 0.001 nan 8.280 nan 0.000 0.446 161 P HA 0.109 nan 4.420 nan 0.000 0.268 161 P C 1.039 178.121 177.300 -0.364 0.000 1.329 161 P CA 0.457 63.097 63.100 -0.767 0.000 0.899 161 P CB 0.355 31.535 31.700 -0.867 0.000 1.378 162 T N -0.329 114.104 114.554 -0.201 0.000 2.493 162 T HA -0.262 4.088 4.350 -0.000 0.000 0.256 162 T C 1.250 175.880 174.700 -0.117 0.000 1.195 162 T CA 1.062 63.099 62.100 -0.106 0.000 1.183 162 T CB -1.126 67.730 68.868 -0.020 0.000 0.863 162 T HN 0.048 nan 8.240 nan 0.000 0.418 163 L N -0.332 120.825 121.223 -0.110 0.000 7.836 163 L HA -0.183 4.157 4.340 -0.000 0.000 0.064 163 L C 1.860 178.807 176.870 0.128 0.000 1.275 163 L CA 1.061 55.793 54.840 -0.181 0.000 1.424 163 L CB -1.734 40.035 42.059 -0.484 0.000 2.916 163 L HN 0.923 nan 8.230 nan 0.000 1.197 164 G N -1.491 107.414 108.800 0.174 0.000 3.329 164 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.220 164 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.220 164 G C 0.901 175.955 174.900 0.257 0.000 1.358 164 G CA 1.490 46.705 45.100 0.193 0.000 0.856 164 G HN 0.854 nan 8.290 nan 0.000 0.551 165 S N 0.870 116.730 115.700 0.266 0.000 2.345 165 S HA -0.026 4.444 4.470 -0.000 0.000 0.219 165 S C 1.842 176.536 174.600 0.157 0.000 1.031 165 S CA 1.836 60.144 58.200 0.179 0.000 0.984 165 S CB -0.256 63.032 63.200 0.147 0.000 0.874 165 S HN 0.634 nan 8.310 nan 0.000 0.451 166 N N -0.499 118.299 118.700 0.162 0.000 2.236 166 N HA 0.111 4.851 4.740 -0.000 0.000 0.196 166 N C -1.049 174.443 175.510 -0.030 0.000 1.114 166 N CA 0.021 53.093 53.050 0.036 0.000 0.859 166 N CB 0.050 38.558 38.487 0.035 0.000 0.982 166 N HN 0.403 nan 8.380 nan 0.000 0.493 167 W N 2.191 123.579 121.300 0.147 0.000 2.335 167 W HA 0.368 5.028 4.660 -0.000 0.000 0.307 167 W C 0.548 177.114 176.519 0.078 0.000 1.117 167 W CA -0.366 57.042 57.345 0.105 0.000 1.228 167 W CB 0.981 30.458 29.460 0.028 0.000 1.240 167 W HN -0.164 nan 8.180 nan 0.000 0.468 168 T N 0.021 114.731 114.554 0.261 0.000 2.896 168 T HA 0.888 5.238 4.350 -0.000 0.000 0.297 168 T C -0.934 173.852 174.700 0.143 0.000 1.108 168 T CA -1.143 61.055 62.100 0.163 0.000 1.004 168 T CB 1.986 70.912 68.868 0.097 0.000 1.159 168 T HN 0.575 nan 8.240 nan 0.000 0.499 169 A N 1.752 124.632 122.820 0.100 0.000 2.359 169 A HA 0.775 5.095 4.320 -0.000 0.000 0.303 169 A C -0.375 177.237 177.584 0.046 0.000 1.066 169 A CA -0.885 51.194 52.037 0.070 0.000 0.730 169 A CB 1.076 20.107 19.000 0.052 0.000 1.211 169 A HN 1.069 nan 8.150 nan 0.000 0.439 170 E N 3.008 123.232 120.200 0.040 0.000 2.339 170 E HA 0.757 5.106 4.350 -0.000 0.000 0.262 170 E C -0.839 175.781 176.600 0.032 0.000 0.934 170 E CA -0.898 55.525 56.400 0.037 0.000 0.802 170 E CB 1.256 30.981 29.700 0.042 0.000 1.275 170 E HN 0.404 nan 8.360 nan 0.000 0.427 171 I N 0.528 121.128 120.570 0.050 0.000 3.210 171 I HA 0.197 4.367 4.170 -0.000 0.000 0.316 171 I C 1.016 177.176 176.117 0.071 0.000 1.067 171 I CA -0.879 60.461 61.300 0.066 0.000 1.047 171 I CB 1.245 39.327 38.000 0.136 0.000 1.352 171 I HN 0.623 nan 8.210 nan 0.000 0.565 172 S N 1.175 116.921 115.700 0.077 0.000 2.563 172 S HA 0.007 4.477 4.470 -0.000 0.000 0.269 172 S C 0.371 175.002 174.600 0.052 0.000 1.364 172 S CA -0.147 58.087 58.200 0.057 0.000 1.010 172 S CB 0.195 63.428 63.200 0.055 0.000 0.877 172 S HN 0.703 nan 8.310 nan 0.000 0.549 173 S N 1.707 117.427 115.700 0.033 0.000 2.217 173 S HA 0.576 5.046 4.470 -0.000 0.000 0.168 173 S C -0.555 174.053 174.600 0.013 0.000 1.526 173 S CA -0.363 57.852 58.200 0.024 0.000 1.150 173 S CB -0.160 63.052 63.200 0.020 0.000 1.158 173 S HN 0.847 nan 8.310 nan 0.000 0.473 174 S N 0.522 116.228 115.700 0.009 0.000 2.570 174 S HA 0.728 5.198 4.470 -0.000 0.000 0.270 174 S C -0.209 174.395 174.600 0.008 0.000 1.149 174 S CA -0.503 57.706 58.200 0.015 0.000 0.837 174 S CB 1.008 64.210 63.200 0.003 0.000 1.124 174 S HN 1.014 nan 8.310 nan 0.000 0.465 175 S N 1.171 116.889 115.700 0.029 0.000 2.563 175 S HA 0.131 4.601 4.470 -0.000 0.000 0.269 175 S C 1.257 175.812 174.600 -0.075 0.000 1.364 175 S CA 0.309 58.517 58.200 0.014 0.000 1.010 175 S CB -0.069 63.200 63.200 0.116 0.000 0.877 175 S HN 0.958 nan 8.310 nan 0.000 0.549 176 S N 2.421 118.074 115.700 -0.078 0.000 2.419 176 S HA 0.079 4.549 4.470 -0.000 0.000 0.235 176 S C 1.185 175.662 174.600 -0.205 0.000 1.019 176 S CA 0.884 59.022 58.200 -0.104 0.000 0.982 176 S CB -0.872 62.287 63.200 -0.068 0.000 0.789 176 S HN 0.981 nan 8.310 nan 0.000 0.490 177 G N 0.721 109.281 108.800 -0.400 0.000 2.568 177 G HA2 0.723 4.683 3.960 -0.000 0.000 0.293 177 G HA3 0.723 4.683 3.960 -0.000 0.000 0.293 177 G C -0.663 173.739 174.900 -0.829 0.000 1.347 177 G CA -0.779 43.885 45.100 -0.727 0.000 1.039 177 G HN 0.473 nan 8.290 nan 0.000 0.523 178 L N -5.214 115.512 121.223 -0.828 0.000 2.775 178 L HA 0.637 4.977 4.340 -0.000 0.000 0.263 178 L C 0.289 177.202 176.870 0.073 0.000 1.017 178 L CA -0.461 54.224 54.840 -0.258 0.000 0.891 178 L CB 1.544 43.525 42.059 -0.130 0.000 1.482 178 L HN 1.976 nan 8.230 nan 0.000 0.410 179 A N -0.503 122.411 122.820 0.156 0.000 3.031 179 A HA 0.119 4.439 4.320 -0.000 0.000 0.244 179 A C 0.454 178.149 177.584 0.186 0.000 1.341 179 A CA 0.822 52.948 52.037 0.148 0.000 0.943 179 A CB -2.342 16.715 19.000 0.095 0.000 1.122 179 A HN 2.260 nan 8.150 nan 0.000 0.760 180 A N -0.778 122.194 122.820 0.253 0.000 2.286 180 A HA 0.733 5.053 4.320 -0.000 0.000 0.286 180 A C 0.172 177.777 177.584 0.035 0.000 1.097 180 A CA 0.309 52.392 52.037 0.076 0.000 0.821 180 A CB 1.170 20.043 19.000 -0.212 0.000 1.076 180 A HN 1.450 nan 8.150 nan 0.000 0.490 181 V N 2.711 122.625 119.914 0.001 0.000 2.498 181 V HA 0.249 4.369 4.120 -0.000 0.000 0.283 181 V C -0.654 175.446 176.094 0.010 0.000 1.015 181 V CA 0.032 62.341 62.300 0.015 0.000 0.867 181 V CB 0.783 32.623 31.823 0.028 0.000 1.025 181 V HN 0.709 nan 8.190 nan 0.000 0.441 182 I N 3.206 123.781 120.570 0.007 0.000 2.365 182 I HA 0.448 4.618 4.170 -0.000 0.000 0.291 182 I C 0.389 176.544 176.117 0.062 0.000 1.004 182 I CA 0.078 61.397 61.300 0.031 0.000 1.311 182 I CB 1.746 39.739 38.000 -0.011 0.000 1.401 182 I HN 0.421 nan 8.210 nan 0.000 0.491 183 T N 7.253 121.863 114.554 0.094 0.000 2.792 183 T HA 0.577 4.927 4.350 -0.000 0.000 0.280 183 T C -0.222 174.552 174.700 0.124 0.000 0.990 183 T CA -0.471 61.685 62.100 0.093 0.000 0.960 183 T CB 0.972 69.881 68.868 0.069 0.000 0.939 183 T HN 0.268 nan 8.240 nan 0.000 0.439 184 L N 2.323 123.617 121.223 0.118 0.000 2.334 184 L HA 0.803 5.142 4.340 -0.000 0.000 0.275 184 L C 1.027 177.948 176.870 0.084 0.000 1.036 184 L CA -0.587 54.327 54.840 0.123 0.000 0.807 184 L CB 1.429 43.563 42.059 0.124 0.000 1.231 184 L HN 0.787 nan 8.230 nan 0.000 0.438 185 G N 1.176 110.009 108.800 0.056 0.000 3.392 185 G HA2 0.382 4.342 3.960 -0.000 0.000 0.185 185 G HA3 0.382 4.342 3.960 -0.000 0.000 0.185 185 G C -0.725 174.144 174.900 -0.052 0.000 1.206 185 G CA -0.521 44.586 45.100 0.011 0.000 0.776 185 G HN 0.434 nan 8.290 nan 0.000 0.697 186 K N 0.177 120.534 120.400 -0.071 0.000 2.090 186 K HA 0.398 4.718 4.320 -0.000 0.000 0.250 186 K C -0.424 176.076 176.600 -0.166 0.000 1.004 186 K CA -0.591 55.611 56.287 -0.141 0.000 0.919 186 K CB 1.554 33.977 32.500 -0.128 0.000 1.045 186 K HN 0.124 nan 8.250 nan 0.000 0.471 187 I N 2.882 123.297 120.570 -0.258 0.000 2.471 187 I HA 0.083 4.253 4.170 -0.000 0.000 0.286 187 I C 0.786 176.777 176.117 -0.209 0.000 1.079 187 I CA -0.274 60.878 61.300 -0.246 0.000 1.398 187 I CB -0.045 37.750 38.000 -0.341 0.000 1.403 187 I HN 0.413 nan 8.210 nan 0.000 0.530 188 I N 6.429 126.906 120.570 -0.154 0.000 2.648 188 I HA 0.025 4.195 4.170 -0.000 0.000 0.284 188 I C 1.233 177.284 176.117 -0.110 0.000 1.153 188 I CA 0.206 61.433 61.300 -0.121 0.000 1.426 188 I CB 0.448 38.378 38.000 -0.117 0.000 1.381 188 I HN 0.652 nan 8.210 nan 0.000 0.571 189 T N -0.998 113.504 114.554 -0.086 0.000 2.958 189 T HA 0.054 4.404 4.350 -0.000 0.000 0.256 189 T C 0.358 175.042 174.700 -0.028 0.000 0.983 189 T CA -0.305 61.761 62.100 -0.057 0.000 0.924 189 T CB 0.048 68.876 68.868 -0.066 0.000 1.136 189 T HN 0.520 nan 8.240 nan 0.000 0.506 190 D N 3.055 123.439 120.400 -0.026 0.000 2.352 190 D HA 0.210 4.850 4.640 -0.000 0.000 0.245 190 D C 1.577 177.883 176.300 0.012 0.000 1.224 190 D CA 0.111 54.108 54.000 -0.006 0.000 0.879 190 D CB 1.371 42.169 40.800 -0.004 0.000 1.057 190 D HN 0.264 nan 8.370 nan 0.000 0.491 191 S N 3.009 118.719 115.700 0.017 0.000 2.420 191 S HA -0.107 4.363 4.470 -0.000 0.000 0.237 191 S C 1.691 176.348 174.600 0.095 0.000 1.023 191 S CA 0.978 59.204 58.200 0.043 0.000 0.991 191 S CB -0.545 62.669 63.200 0.025 0.000 0.792 191 S HN 0.911 nan 8.310 nan 0.000 0.488 192 G N 0.353 109.187 108.800 0.057 0.000 2.182 192 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.248 192 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.248 192 G C -0.328 174.554 174.900 -0.029 0.000 1.042 192 G CA 0.252 45.408 45.100 0.093 0.000 0.775 192 G HN 1.088 nan 8.290 nan 0.000 0.501 193 I N -0.806 119.668 120.570 -0.160 0.000 2.753 193 I HA 0.689 4.859 4.170 -0.000 0.000 0.291 193 I C -1.391 174.583 176.117 -0.239 0.000 1.425 193 I CA -1.166 59.915 61.300 -0.365 0.000 1.039 193 I CB 1.785 39.337 38.000 -0.748 0.000 1.349 193 I HN 0.254 nan 8.210 nan 0.000 0.430 194 L N 7.780 128.864 121.223 -0.231 0.000 2.441 194 L HA 0.617 4.957 4.340 -0.000 0.000 0.270 194 L C -1.749 175.000 176.870 -0.201 0.000 0.973 194 L CA -0.626 54.110 54.840 -0.173 0.000 0.842 194 L CB 1.452 43.446 42.059 -0.109 0.000 1.239 194 L HN 0.548 nan 8.230 nan 0.000 0.406 195 L N 5.163 126.253 121.223 -0.222 0.000 2.272 195 L HA 0.646 4.985 4.340 -0.000 0.000 0.289 195 L C 0.383 177.157 176.870 -0.160 0.000 1.032 195 L CA -0.108 54.576 54.840 -0.260 0.000 0.810 195 L CB 1.391 43.208 42.059 -0.403 0.000 1.205 195 L HN 0.791 nan 8.230 nan 0.000 0.422 196 A N 3.227 125.979 122.820 -0.112 0.000 2.523 196 A HA 0.421 4.741 4.320 -0.000 0.000 0.212 196 A C 0.332 177.917 177.584 0.001 0.000 2.213 196 A CA -0.135 51.906 52.037 0.006 0.000 1.683 196 A CB -0.083 18.951 19.000 0.056 0.000 1.169 196 A HN 0.614 nan 8.150 nan 0.000 0.397 197 E N -0.186 120.025 120.200 0.018 0.000 2.435 197 E HA 0.262 4.612 4.350 -0.000 0.000 0.254 197 E C 0.672 177.254 176.600 -0.031 0.000 1.289 197 E CA -0.113 56.312 56.400 0.041 0.000 0.983 197 E CB 0.367 30.107 29.700 0.065 0.000 1.010 197 E HN 0.331 nan 8.360 nan 0.000 0.509 198 I N 1.041 121.609 120.570 -0.004 0.000 3.854 198 I HA -0.080 4.090 4.170 -0.000 0.000 0.312 198 I C 1.763 177.880 176.117 -0.001 0.000 1.273 198 I CA 0.535 61.825 61.300 -0.018 0.000 1.298 198 I CB -0.994 37.020 38.000 0.024 0.000 1.071 198 I HN 0.592 nan 8.210 nan 0.000 0.428 199 E N 1.429 121.630 120.200 0.001 0.000 2.160 199 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 199 E C 0.781 177.372 176.600 -0.015 0.000 0.991 199 E CA 1.363 57.760 56.400 -0.004 0.000 0.810 199 E CB -0.418 29.272 29.700 -0.016 0.000 0.742 199 E HN 0.415 nan 8.360 nan 0.000 0.466 200 N N 1.015 119.693 118.700 -0.037 0.000 2.299 200 N HA 0.185 4.925 4.740 -0.000 0.000 0.187 200 N C 1.335 176.802 175.510 -0.073 0.000 1.099 200 N CA 0.766 53.785 53.050 -0.053 0.000 0.867 200 N CB 0.251 38.693 38.487 -0.075 0.000 0.974 200 N HN 0.293 nan 8.380 nan 0.000 0.477 201 A N 2.441 125.209 122.820 -0.086 0.000 2.714 201 A HA -0.328 3.992 4.320 -0.000 0.000 0.243 201 A C 1.778 179.299 177.584 -0.106 0.000 1.409 201 A CA 2.693 54.636 52.037 -0.157 0.000 1.062 201 A CB -1.108 17.901 19.000 0.015 0.000 0.547 201 A HN 0.482 nan 8.150 nan 0.000 0.459 202 E N 0.447 120.717 120.200 0.117 0.000 2.516 202 E HA 0.372 4.722 4.350 -0.000 0.000 0.199 202 E C 1.359 178.010 176.600 0.086 0.000 1.069 202 E CA 1.197 57.711 56.400 0.191 0.000 0.876 202 E CB -0.817 29.041 29.700 0.262 0.000 0.843 202 E HN 0.668 nan 8.360 nan 0.000 0.530 203 A N 0.947 123.786 122.820 0.031 0.000 2.066 203 A HA 0.252 4.572 4.320 -0.000 0.000 0.218 203 A C 2.335 179.913 177.584 -0.010 0.000 1.157 203 A CA 1.229 53.275 52.037 0.016 0.000 0.670 203 A CB -0.411 18.589 19.000 0.001 0.000 0.804 203 A HN 0.398 nan 8.150 nan 0.000 0.453 204 A N -1.224 121.559 122.820 -0.062 0.000 2.030 204 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 204 A C 1.902 179.403 177.584 -0.138 0.000 1.164 204 A CA 0.942 52.908 52.037 -0.118 0.000 0.697 204 A CB -0.282 18.602 19.000 -0.193 0.000 0.827 204 A HN 0.363 nan 8.150 nan 0.000 0.457 205 M N 0.233 119.793 119.600 -0.068 0.000 2.630 205 M HA 0.012 4.492 4.480 -0.000 0.000 0.254 205 M C 0.076 176.517 176.300 0.234 0.000 1.092 205 M CA 1.042 56.376 55.300 0.056 0.000 1.087 205 M CB -0.855 31.842 32.600 0.163 0.000 1.453 205 M HN 0.224 nan 8.290 nan 0.000 0.509 206 T N 0.309 114.952 114.554 0.148 0.000 3.624 206 T HA 0.501 4.851 4.350 -0.000 0.000 0.244 206 T C -0.135 174.632 174.700 0.111 0.000 1.063 206 T CA -0.280 61.906 62.100 0.145 0.000 1.252 206 T CB 0.326 69.259 68.868 0.108 0.000 1.021 206 T HN 0.205 nan 8.240 nan 0.000 0.590 207 A N 1.335 124.241 122.820 0.143 0.000 2.292 207 A HA 0.675 4.995 4.320 -0.000 0.000 0.319 207 A C 1.727 179.377 177.584 0.109 0.000 1.206 207 A CA -0.707 51.390 52.037 0.100 0.000 0.835 207 A CB 0.523 19.570 19.000 0.078 0.000 1.164 207 A HN 0.499 nan 8.150 nan 0.000 0.505 208 V N 0.610 120.561 119.914 0.062 0.000 2.250 208 V HA -0.319 3.801 4.120 -0.000 0.000 0.253 208 V C 1.536 177.655 176.094 0.041 0.000 1.065 208 V CA 2.595 64.918 62.300 0.039 0.000 1.039 208 V CB -1.073 30.763 31.823 0.021 0.000 0.647 208 V HN 0.821 nan 8.190 nan 0.000 0.446 209 D N -0.504 119.930 120.400 0.058 0.000 2.104 209 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 209 D C 1.915 178.276 176.300 0.102 0.000 0.994 209 D CA 2.037 56.073 54.000 0.060 0.000 0.830 209 D CB -0.229 40.606 40.800 0.058 0.000 0.959 209 D HN 0.580 nan 8.370 nan 0.000 0.452 210 F N 2.164 122.105 119.950 -0.015 0.000 2.031 210 F HA -0.164 4.363 4.527 -0.000 0.000 0.295 210 F C 2.481 178.273 175.800 -0.013 0.000 1.133 210 F CA 1.325 59.316 58.000 -0.015 0.000 1.188 210 F CB -0.483 38.505 39.000 -0.020 0.000 0.974 210 F HN -0.201 nan 8.300 nan 0.000 0.473 211 Q N 0.540 120.311 119.800 -0.048 0.000 2.308 211 Q HA -0.216 4.124 4.340 -0.000 0.000 0.209 211 Q C 2.345 178.246 176.000 -0.165 0.000 0.985 211 Q CA 1.298 57.007 55.803 -0.157 0.000 0.881 211 Q CB -0.896 27.838 28.738 -0.006 0.000 0.917 211 Q HN 0.581 nan 8.270 nan 0.000 0.443 212 A N 1.619 124.374 122.820 -0.108 0.000 1.851 212 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 212 A C 1.835 179.333 177.584 -0.143 0.000 1.195 212 A CA 1.646 53.622 52.037 -0.102 0.000 0.622 212 A CB -0.717 18.242 19.000 -0.068 0.000 0.831 212 A HN 0.476 nan 8.150 nan 0.000 0.444 213 N N -0.139 118.477 118.700 -0.141 0.000 2.309 213 N HA -0.032 4.708 4.740 -0.000 0.000 0.182 213 N C 1.585 177.039 175.510 -0.094 0.000 1.018 213 N CA 0.949 53.958 53.050 -0.069 0.000 0.876 213 N CB -0.238 38.292 38.487 0.073 0.000 0.972 213 N HN 0.433 nan 8.380 nan 0.000 0.434 214 L N 1.128 122.188 121.223 -0.271 0.000 2.191 214 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 214 L C 2.153 178.910 176.870 -0.188 0.000 1.103 214 L CA 1.201 55.864 54.840 -0.294 0.000 0.769 214 L CB -0.170 41.636 42.059 -0.421 0.000 0.908 214 L HN 0.125 nan 8.230 nan 0.000 0.438 215 K N 0.034 120.340 120.400 -0.158 0.000 2.044 215 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 215 K C 2.144 178.668 176.600 -0.127 0.000 1.045 215 K CA 0.719 56.935 56.287 -0.118 0.000 0.951 215 K CB -0.030 32.408 32.500 -0.102 0.000 0.738 215 K HN 0.037 nan 8.250 nan 0.000 0.443 216 K N 0.246 120.520 120.400 -0.210 0.000 2.074 216 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 216 K C 0.740 177.104 176.600 -0.393 0.000 1.048 216 K CA 1.647 57.701 56.287 -0.388 0.000 0.926 216 K CB 0.018 32.100 32.500 -0.696 0.000 0.713 216 K HN 0.172 nan 8.250 nan 0.000 0.444 217 Y N -0.222 120.087 120.300 0.016 0.000 2.658 217 Y HA 0.286 4.836 4.550 -0.000 0.000 0.276 217 Y C 0.689 176.594 175.900 0.009 0.000 1.167 217 Y CA -0.139 58.000 58.100 0.064 0.000 1.230 217 Y CB 0.716 39.206 38.460 0.050 0.000 1.144 217 Y HN 0.190 nan 8.280 nan 0.000 0.529 218 G N 2.283 111.112 108.800 0.047 0.000 2.395 218 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.292 218 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.292 218 G C 0.029 174.854 174.900 -0.124 0.000 0.953 218 G CA 0.966 46.065 45.100 -0.002 0.000 1.207 218 G HN 0.587 nan 8.290 nan 0.000 0.503 219 I N -3.397 117.001 120.570 -0.287 0.000 3.042 219 I HA 0.813 4.983 4.170 -0.000 0.000 0.310 219 I C -2.658 173.012 176.117 -0.745 0.000 1.117 219 I CA -3.534 57.386 61.300 -0.632 0.000 1.003 219 I CB 2.156 39.851 38.000 -0.507 0.000 1.228 219 I HN -0.103 nan 8.210 nan 0.000 0.443 220 P HA 0.250 nan 4.420 nan 0.000 0.278 220 P C -0.035 176.899 177.300 -0.610 0.000 1.266 220 P CA -0.326 62.127 63.100 -1.079 0.000 0.807 220 P CB 0.705 31.220 31.700 -1.975 0.000 1.094 221 G N 0.184 108.774 108.800 -0.350 0.000 3.209 221 G HA2 0.387 4.347 3.960 -0.000 0.000 0.274 221 G HA3 0.387 4.347 3.960 -0.000 0.000 0.274 221 G C -0.675 174.203 174.900 -0.036 0.000 0.850 221 G CA -0.142 44.902 45.100 -0.094 0.000 1.907 221 G HN 0.287 nan 8.290 nan 0.000 0.591 222 V N 2.206 122.046 119.914 -0.122 0.000 2.378 222 V HA 0.566 4.686 4.120 -0.000 0.000 0.288 222 V C 0.164 176.242 176.094 -0.025 0.000 1.016 222 V CA -0.781 61.460 62.300 -0.099 0.000 0.840 222 V CB 1.184 32.910 31.823 -0.161 0.000 0.994 222 V HN 0.499 nan 8.190 nan 0.000 0.431 223 V N 2.054 121.962 119.914 -0.010 0.000 3.001 223 V HA 1.012 5.132 4.120 -0.000 0.000 0.314 223 V C 0.317 176.404 176.094 -0.011 0.000 1.099 223 V CA -0.986 61.316 62.300 0.004 0.000 0.989 223 V CB 1.846 33.655 31.823 -0.022 0.000 1.040 223 V HN 1.036 nan 8.190 nan 0.000 0.434 224 A N 1.729 124.556 122.820 0.012 0.000 2.498 224 A HA 0.446 4.766 4.320 -0.000 0.000 0.239 224 A C 0.821 178.338 177.584 -0.111 0.000 1.068 224 A CA 0.306 52.362 52.037 0.031 0.000 0.766 224 A CB 0.176 19.258 19.000 0.136 0.000 1.003 224 A HN 1.549 nan 8.150 nan 0.000 0.497 225 L N 1.626 122.714 121.223 -0.224 0.000 2.217 225 L HA 0.111 4.451 4.340 -0.000 0.000 0.211 225 L C -0.317 176.119 176.870 -0.723 0.000 1.107 225 L CA 1.500 56.032 54.840 -0.512 0.000 0.783 225 L CB -0.329 41.304 42.059 -0.710 0.000 0.919 225 L HN 0.620 nan 8.230 nan 0.000 0.442 226 Y N -0.334 119.633 120.300 -0.556 0.000 2.409 226 Y HA 0.530 5.079 4.550 -0.000 0.000 0.343 226 Y C -2.195 173.315 175.900 -0.651 0.000 0.973 226 Y CA -4.101 53.485 58.100 -0.857 0.000 1.064 226 Y CB 0.399 37.815 38.460 -1.741 0.000 1.207 226 Y HN -0.111 nan 8.280 nan 0.000 0.452 227 P HA 0.317 nan 4.420 nan 0.000 0.266 227 P C -0.113 177.183 177.300 -0.007 0.000 1.195 227 P CA 0.513 63.551 63.100 -0.103 0.000 0.768 227 P CB 0.596 32.246 31.700 -0.083 0.000 0.838 228 G N 2.096 110.973 108.800 0.128 0.000 2.351 228 G HA2 0.001 3.961 3.960 -0.000 0.000 0.472 228 G HA3 0.001 3.961 3.960 -0.000 0.000 0.472 228 G C 0.089 175.160 174.900 0.286 0.000 1.570 228 G CA -0.665 44.598 45.100 0.272 0.000 0.921 228 G HN 0.308 nan 8.290 nan 0.000 0.674 229 E N 0.670 120.977 120.200 0.178 0.000 2.409 229 E HA 0.027 4.377 4.350 -0.000 0.000 0.198 229 E C 2.476 179.133 176.600 0.095 0.000 1.024 229 E CA 0.495 56.964 56.400 0.115 0.000 0.861 229 E CB 0.103 29.842 29.700 0.066 0.000 0.788 229 E HN 0.492 nan 8.360 nan 0.000 0.521 230 L N -0.010 121.276 121.223 0.106 0.000 2.362 230 L HA -0.048 4.292 4.340 -0.000 0.000 0.219 230 L C 2.124 178.929 176.870 -0.109 0.000 1.134 230 L CA 0.885 55.640 54.840 -0.141 0.000 0.807 230 L CB -0.269 41.471 42.059 -0.531 0.000 0.927 230 L HN 0.303 nan 8.230 nan 0.000 0.447 231 G N -1.123 107.823 108.800 0.244 0.000 2.484 231 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 231 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 231 G C 0.986 175.980 174.900 0.156 0.000 1.130 231 G CA 0.230 45.528 45.100 0.330 0.000 0.784 231 G HN 0.287 nan 8.290 nan 0.000 0.543 232 D N 0.705 121.165 120.400 0.101 0.000 2.309 232 D HA -0.037 4.603 4.640 -0.000 0.000 0.212 232 D C 2.163 178.490 176.300 0.045 0.000 0.968 232 D CA 0.716 54.755 54.000 0.065 0.000 0.882 232 D CB 0.018 40.847 40.800 0.047 0.000 0.918 232 D HN 0.317 nan 8.370 nan 0.000 0.503 233 K N -0.176 120.241 120.400 0.029 0.000 2.459 233 K HA 0.131 4.451 4.320 -0.000 0.000 0.193 233 K C 0.693 177.316 176.600 0.038 0.000 1.030 233 K CA 0.078 56.373 56.287 0.015 0.000 1.026 233 K CB 0.615 33.102 32.500 -0.023 0.000 0.809 233 K HN 0.155 nan 8.250 nan 0.000 0.504 234 I N 1.480 122.093 120.570 0.071 0.000 2.519 234 I HA 0.055 4.225 4.170 -0.000 0.000 0.287 234 I C 0.153 176.310 176.117 0.068 0.000 1.047 234 I CA -0.042 61.310 61.300 0.086 0.000 1.381 234 I CB 0.895 38.979 38.000 0.139 0.000 1.417 234 I HN 0.074 nan 8.210 nan 0.000 0.540 235 E N 6.684 126.919 120.200 0.060 0.000 2.409 235 E HA 0.308 4.658 4.350 -0.000 0.000 0.259 235 E C -1.388 175.255 176.600 0.071 0.000 0.932 235 E CA -0.750 55.687 56.400 0.062 0.000 0.809 235 E CB 1.255 30.986 29.700 0.052 0.000 1.341 235 E HN 0.367 nan 8.360 nan 0.000 0.405 236 I N 2.964 123.582 120.570 0.080 0.000 2.529 236 I HA 0.122 4.292 4.170 -0.000 0.000 0.284 236 I C 0.551 176.744 176.117 0.126 0.000 1.082 236 I CA 0.260 61.619 61.300 0.099 0.000 1.406 236 I CB 0.891 38.940 38.000 0.082 0.000 1.405 236 I HN 0.436 nan 8.210 nan 0.000 0.548 237 E N 6.589 126.880 120.200 0.152 0.000 2.145 237 E HA 0.570 4.920 4.350 -0.000 0.000 0.270 237 E C -1.314 175.424 176.600 0.229 0.000 0.906 237 E CA -0.515 55.993 56.400 0.179 0.000 0.761 237 E CB 0.968 30.765 29.700 0.162 0.000 1.116 237 E HN 0.491 nan 8.360 nan 0.000 0.408 238 I N 4.461 125.192 120.570 0.268 0.000 2.406 238 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 238 I C -0.839 175.475 176.117 0.328 0.000 0.999 238 I CA -1.053 60.455 61.300 0.346 0.000 1.124 238 I CB 1.860 40.122 38.000 0.437 0.000 1.289 238 I HN 0.274 nan 8.210 nan 0.000 0.441 239 V N 4.574 124.683 119.914 0.325 0.000 2.686 239 V HA 0.389 4.509 4.120 -0.000 0.000 0.306 239 V C 0.042 176.291 176.094 0.258 0.000 1.065 239 V CA -0.558 61.900 62.300 0.264 0.000 0.894 239 V CB 2.264 34.217 31.823 0.216 0.000 1.004 239 V HN 0.901 nan 8.190 nan 0.000 0.424 240 S N 3.289 119.117 115.700 0.212 0.000 2.693 240 S HA 0.384 4.854 4.470 -0.000 0.000 0.276 240 S C 0.984 175.502 174.600 -0.136 0.000 1.192 240 S CA -0.516 57.635 58.200 -0.080 0.000 0.994 240 S CB 1.286 64.465 63.200 -0.036 0.000 1.012 240 S HN 0.746 nan 8.310 nan 0.000 0.550 241 K N 0.068 120.286 120.400 -0.303 0.000 2.286 241 K HA -0.147 4.173 4.320 -0.000 0.000 0.203 241 K C 1.844 178.419 176.600 -0.042 0.000 1.045 241 K CA 1.179 57.351 56.287 -0.192 0.000 0.935 241 K CB -0.749 31.605 32.500 -0.243 0.000 0.737 241 K HN 0.702 nan 8.250 nan 0.000 0.460 242 A N 1.639 124.435 122.820 -0.041 0.000 1.823 242 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 242 A C 1.257 178.865 177.584 0.041 0.000 1.225 242 A CA 1.802 53.843 52.037 0.005 0.000 0.604 242 A CB -0.618 18.390 19.000 0.013 0.000 0.878 242 A HN 0.376 nan 8.150 nan 0.000 0.450 243 D N -1.832 118.602 120.400 0.057 0.000 2.338 243 D HA 0.056 4.696 4.640 -0.000 0.000 0.239 243 D C 0.998 177.346 176.300 0.081 0.000 1.095 243 D CA 0.264 54.296 54.000 0.055 0.000 0.888 243 D CB -0.149 40.682 40.800 0.050 0.000 0.899 243 D HN 0.585 nan 8.370 nan 0.000 0.525 244 Y N 1.094 121.375 120.300 -0.032 0.000 2.314 244 Y HA 0.080 4.630 4.550 -0.000 0.000 0.294 244 Y C 2.194 178.079 175.900 -0.024 0.000 1.119 244 Y CA 0.989 59.068 58.100 -0.036 0.000 1.179 244 Y CB -0.142 38.267 38.460 -0.085 0.000 1.025 244 Y HN 0.001 nan 8.280 nan 0.000 0.541 245 A N 0.561 123.341 122.820 -0.067 0.000 1.873 245 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 245 A C 1.507 179.010 177.584 -0.135 0.000 1.186 245 A CA 1.224 53.181 52.037 -0.133 0.000 0.616 245 A CB -0.493 18.489 19.000 -0.029 0.000 0.823 245 A HN 0.355 nan 8.150 nan 0.000 0.442 246 K N 0.559 120.915 120.400 -0.074 0.000 2.502 246 K HA 0.250 4.570 4.320 -0.000 0.000 0.244 246 K C 0.506 177.066 176.600 -0.067 0.000 1.249 246 K CA 0.215 56.467 56.287 -0.058 0.000 1.193 246 K CB -0.120 32.364 32.500 -0.026 0.000 1.674 246 K HN 0.363 nan 8.250 nan 0.000 0.302 247 G N -0.092 108.629 108.800 -0.133 0.000 3.502 247 G HA2 0.188 4.148 3.960 -0.000 0.000 0.267 247 G HA3 0.188 4.148 3.960 -0.000 0.000 0.267 247 G C 0.728 175.579 174.900 -0.083 0.000 1.090 247 G CA 0.015 45.036 45.100 -0.132 0.000 0.795 247 G HN 0.454 nan 8.290 nan 0.000 0.535 248 A N -0.157 122.624 122.820 -0.065 0.000 1.921 248 A HA 0.386 4.706 4.320 -0.000 0.000 0.202 248 A C 2.261 179.830 177.584 -0.024 0.000 1.721 248 A CA 1.338 53.350 52.037 -0.041 0.000 1.025 248 A CB -0.099 18.875 19.000 -0.044 0.000 1.060 248 A HN 0.143 nan 8.150 nan 0.000 0.535 249 S N 0.973 116.656 115.700 -0.027 0.000 2.388 249 S HA 0.299 4.769 4.470 -0.000 0.000 0.223 249 S C 1.323 175.915 174.600 -0.012 0.000 1.034 249 S CA 0.367 58.556 58.200 -0.018 0.000 0.963 249 S CB -0.547 62.642 63.200 -0.019 0.000 0.827 249 S HN 0.960 nan 8.310 nan 0.000 0.481 250 A N 2.137 124.950 122.820 -0.012 0.000 2.581 250 A HA 0.059 4.379 4.320 -0.000 0.000 0.257 250 A C 0.065 177.649 177.584 -0.001 0.000 1.022 250 A CA 0.496 52.531 52.037 -0.004 0.000 0.812 250 A CB -0.632 18.370 19.000 0.005 0.000 0.918 250 A HN 0.526 nan 8.150 nan 0.000 0.516 251 L N 4.823 126.042 121.223 -0.007 0.000 2.389 251 L HA 0.169 4.509 4.340 -0.000 0.000 0.265 251 L C -0.033 176.828 176.870 -0.015 0.000 1.167 251 L CA -0.384 54.451 54.840 -0.009 0.000 1.045 251 L CB -0.193 41.856 42.059 -0.015 0.000 1.351 251 L HN 0.618 nan 8.230 nan 0.000 0.419 252 L N 4.176 125.398 121.223 -0.002 0.000 2.578 252 L HA 0.040 4.380 4.340 -0.000 0.000 0.279 252 L C -1.993 174.863 176.870 -0.024 0.000 1.227 252 L CA -1.315 53.524 54.840 -0.003 0.000 0.900 252 L CB -0.172 41.908 42.059 0.035 0.000 1.144 252 L HN 0.253 nan 8.230 nan 0.000 0.496 253 P HA 0.372 nan 4.420 nan 0.000 0.282 253 P C -0.729 176.487 177.300 -0.140 0.000 1.259 253 P CA -0.439 62.569 63.100 -0.153 0.000 0.826 253 P CB 1.060 32.587 31.700 -0.287 0.000 1.064 254 I N 1.798 122.248 120.570 -0.198 0.000 2.355 254 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 254 I C -0.423 175.601 176.117 -0.156 0.000 0.999 254 I CA -0.720 60.534 61.300 -0.076 0.000 1.163 254 I CB 0.598 38.584 38.000 -0.024 0.000 1.316 254 I HN 0.272 nan 8.210 nan 0.000 0.454 255 Y N 7.356 127.683 120.300 0.045 0.000 2.323 255 Y HA 0.338 4.888 4.550 -0.000 0.000 0.331 255 Y C -1.726 174.184 175.900 0.017 0.000 1.092 255 Y CA -1.914 56.211 58.100 0.042 0.000 1.150 255 Y CB 0.812 39.322 38.460 0.083 0.000 1.200 255 Y HN 0.420 nan 8.280 nan 0.000 0.472 256 P HA 0.091 nan 4.420 nan 0.000 0.264 256 P C 1.447 178.750 177.300 0.004 0.000 1.259 256 P CA 0.530 63.677 63.100 0.079 0.000 0.841 256 P CB 0.596 32.305 31.700 0.016 0.000 1.232 257 G N 0.646 109.447 108.800 0.002 0.000 2.672 257 G HA2 0.108 4.068 3.960 -0.000 0.000 0.218 257 G HA3 0.108 4.068 3.960 -0.000 0.000 0.218 257 G C 0.812 175.686 174.900 -0.043 0.000 1.238 257 G CA 1.166 46.256 45.100 -0.017 0.000 0.791 257 G HN 0.625 nan 8.290 nan 0.000 0.606 258 G N -3.282 105.472 108.800 -0.076 0.000 2.325 258 G HA2 0.539 4.499 3.960 -0.000 0.000 0.285 258 G HA3 0.539 4.499 3.960 -0.000 0.000 0.285 258 G C 0.386 175.230 174.900 -0.094 0.000 1.303 258 G CA 0.371 45.409 45.100 -0.103 0.000 0.970 258 G HN 2.189 nan 8.290 nan 0.000 0.490 259 G N -1.980 106.769 108.800 -0.084 0.000 2.915 259 G HA2 0.452 4.412 3.960 -0.000 0.000 0.337 259 G HA3 0.452 4.412 3.960 -0.000 0.000 0.337 259 G C 0.416 175.270 174.900 -0.077 0.000 1.477 259 G CA 1.009 46.070 45.100 -0.065 0.000 0.916 259 G HN 2.792 nan 8.290 nan 0.000 0.550 260 T N -2.600 111.923 114.554 -0.053 0.000 2.773 260 T HA 0.854 5.204 4.350 -0.000 0.000 0.278 260 T C -0.202 174.485 174.700 -0.022 0.000 1.011 260 T CA -0.113 61.960 62.100 -0.046 0.000 1.014 260 T CB 2.492 71.333 68.868 -0.045 0.000 1.293 260 T HN 1.451 nan 8.240 nan 0.000 0.554 261 R N -0.209 120.285 120.500 -0.011 0.000 2.647 261 R HA 0.549 4.889 4.340 -0.000 0.000 0.260 261 R C -0.887 175.418 176.300 0.009 0.000 1.154 261 R CA -0.526 55.575 56.100 0.002 0.000 1.029 261 R CB 1.400 31.707 30.300 0.011 0.000 1.262 261 R HN 1.168 nan 8.270 nan 0.000 0.437 262 A N 2.948 125.772 122.820 0.008 0.000 2.598 262 A HA 0.084 4.404 4.320 -0.000 0.000 0.239 262 A C 0.603 178.202 177.584 0.024 0.000 1.032 262 A CA 0.909 52.952 52.037 0.010 0.000 0.760 262 A CB 0.371 19.375 19.000 0.006 0.000 0.946 262 A HN 0.757 nan 8.150 nan 0.000 0.512 263 S N 0.701 116.418 115.700 0.028 0.000 2.612 263 S HA 0.308 4.777 4.470 -0.000 0.000 0.253 263 S C 1.348 175.981 174.600 0.054 0.000 1.346 263 S CA 0.718 58.949 58.200 0.052 0.000 0.976 263 S CB 0.357 63.589 63.200 0.053 0.000 0.949 263 S HN 1.731 nan 8.310 nan 0.000 0.584 264 T N -1.666 112.940 114.554 0.087 0.000 3.131 264 T HA 0.398 4.747 4.350 -0.000 0.000 0.283 264 T C 1.552 176.340 174.700 0.146 0.000 0.906 264 T CA 0.718 62.871 62.100 0.088 0.000 0.882 264 T CB -0.677 68.239 68.868 0.080 0.000 1.208 264 T HN 0.744 nan 8.240 nan 0.000 0.561 265 A N 3.027 125.976 122.820 0.214 0.000 1.863 265 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 265 A C 2.158 180.000 177.584 0.429 0.000 1.233 265 A CA 2.638 54.920 52.037 0.409 0.000 0.655 265 A CB -1.072 18.174 19.000 0.411 0.000 0.839 265 A HN 0.527 nan 8.150 nan 0.000 0.454 266 K N 0.160 120.606 120.400 0.077 0.000 2.360 266 K HA 0.073 4.393 4.320 -0.000 0.000 0.201 266 K C 1.195 177.828 176.600 0.054 0.000 1.046 266 K CA 1.348 57.580 56.287 -0.091 0.000 0.945 266 K CB -0.452 31.770 32.500 -0.465 0.000 0.750 266 K HN 0.405 nan 8.250 nan 0.000 0.464 267 A N -0.310 122.552 122.820 0.071 0.000 2.462 267 A HA 0.301 4.621 4.320 -0.000 0.000 0.261 267 A C 0.776 178.389 177.584 0.047 0.000 1.323 267 A CA -0.006 52.059 52.037 0.047 0.000 0.913 267 A CB 0.248 19.262 19.000 0.024 0.000 1.028 267 A HN 0.102 nan 8.150 nan 0.000 0.511 268 V N -2.300 117.662 119.914 0.079 0.000 3.157 268 V HA 0.257 4.377 4.120 -0.000 0.000 0.253 268 V C -0.418 175.567 176.094 -0.181 0.000 1.637 268 V CA 0.117 62.371 62.300 -0.075 0.000 1.058 268 V CB -0.024 31.709 31.823 -0.150 0.000 0.917 268 V HN 0.375 nan 8.190 nan 0.000 0.417 269 F N 0.517 120.549 119.950 0.137 0.000 2.443 269 F HA 0.710 5.237 4.527 -0.000 0.000 0.335 269 F C 1.295 177.200 175.800 0.175 0.000 1.104 269 F CA 0.264 58.362 58.000 0.163 0.000 1.013 269 F CB 1.799 40.925 39.000 0.209 0.000 1.136 269 F HN -0.011 nan 8.300 nan 0.000 0.470 270 G N 1.332 110.331 108.800 0.331 0.000 2.610 270 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.215 270 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.215 270 G C -0.268 174.827 174.900 0.326 0.000 1.243 270 G CA 0.121 45.385 45.100 0.273 0.000 0.847 270 G HN 0.506 nan 8.290 nan 0.000 0.560 271 Y N 3.451 123.861 120.300 0.183 0.000 2.783 271 Y HA 0.402 4.952 4.550 -0.000 0.000 0.359 271 Y C 1.053 176.971 175.900 0.030 0.000 1.220 271 Y CA -0.622 57.545 58.100 0.111 0.000 1.649 271 Y CB -0.305 38.217 38.460 0.104 0.000 1.273 271 Y HN 0.186 nan 8.280 nan 0.000 0.506 272 G N 6.439 115.080 108.800 -0.265 0.000 2.616 272 G HA2 0.339 4.299 3.960 -0.000 0.000 0.268 272 G HA3 0.339 4.299 3.960 -0.000 0.000 0.268 272 G C -2.789 171.584 174.900 -0.878 0.000 1.213 272 G CA -1.733 42.947 45.100 -0.700 0.000 0.926 272 G HN 0.484 nan 8.290 nan 0.000 0.523 273 P HA 0.079 nan 4.420 nan 0.000 0.266 273 P C 0.392 177.387 177.300 -0.508 0.000 1.215 273 P CA -0.006 62.683 63.100 -0.686 0.000 0.763 273 P CB 1.080 32.386 31.700 -0.657 0.000 0.806 274 Q N 1.538 121.084 119.800 -0.422 0.000 1.940 274 Q HA 0.004 4.344 4.340 -0.000 0.000 0.200 274 Q C 1.035 176.906 176.000 -0.215 0.000 0.977 274 Q CA 1.371 56.991 55.803 -0.305 0.000 0.841 274 Q CB -1.191 27.396 28.738 -0.251 0.000 0.901 274 Q HN 0.548 nan 8.270 nan 0.000 0.446 275 T N -0.602 113.842 114.554 -0.183 0.000 2.766 275 T HA 0.056 4.406 4.350 -0.000 0.000 0.295 275 T C 0.292 174.876 174.700 -0.193 0.000 1.024 275 T CA -0.085 61.926 62.100 -0.149 0.000 1.018 275 T CB 0.441 69.242 68.868 -0.112 0.000 1.002 275 T HN 0.027 nan 8.240 nan 0.000 0.532 276 D N 0.218 120.526 120.400 -0.154 0.000 2.312 276 D HA 0.016 4.655 4.640 -0.000 0.000 0.211 276 D C 1.552 177.709 176.300 -0.238 0.000 0.964 276 D CA 0.991 54.884 54.000 -0.178 0.000 0.877 276 D CB -0.084 40.658 40.800 -0.097 0.000 0.924 276 D HN 0.640 nan 8.370 nan 0.000 0.515 277 S N -0.682 114.911 115.700 -0.178 0.000 2.583 277 S HA 0.183 4.653 4.470 -0.000 0.000 0.239 277 S C 0.360 174.872 174.600 -0.148 0.000 0.966 277 S CA -0.618 57.519 58.200 -0.104 0.000 0.973 277 S CB 0.087 63.279 63.200 -0.014 0.000 0.794 277 S HN 0.073 nan 8.310 nan 0.000 0.463 278 Q N 0.531 120.121 119.800 -0.349 0.000 2.306 278 Q HA 0.588 4.927 4.340 -0.000 0.000 0.265 278 Q C -1.620 174.066 176.000 -0.524 0.000 1.022 278 Q CA -0.658 54.967 55.803 -0.296 0.000 0.853 278 Q CB 1.747 30.322 28.738 -0.271 0.000 1.327 278 Q HN 0.537 nan 8.270 nan 0.000 0.449 279 Y N -0.569 119.593 120.300 -0.230 0.000 2.512 279 Y HA 0.572 5.122 4.550 -0.000 0.000 0.348 279 Y C -0.374 175.403 175.900 -0.204 0.000 0.990 279 Y CA -1.193 56.823 58.100 -0.139 0.000 1.033 279 Y CB 1.924 40.403 38.460 0.031 0.000 1.259 279 Y HN 0.657 nan 8.280 nan 0.000 0.461 280 A N 3.074 125.850 122.820 -0.074 0.000 2.309 280 A HA 0.694 5.014 4.320 -0.000 0.000 0.290 280 A C -1.039 176.593 177.584 0.081 0.000 1.206 280 A CA -0.263 51.611 52.037 -0.272 0.000 0.850 280 A CB -0.344 18.370 19.000 -0.477 0.000 1.118 280 A HN 0.586 nan 8.150 nan 0.000 0.523 281 I N 2.879 123.541 120.570 0.154 0.000 2.406 281 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 281 I C -0.369 175.949 176.117 0.335 0.000 0.999 281 I CA 0.134 61.596 61.300 0.270 0.000 1.124 281 I CB 1.711 39.869 38.000 0.264 0.000 1.289 281 I HN 0.507 nan 8.210 nan 0.000 0.441 282 I N 6.833 127.570 120.570 0.279 0.000 2.466 282 I HA 0.321 4.491 4.170 -0.000 0.000 0.279 282 I C -0.761 175.434 176.117 0.130 0.000 1.033 282 I CA -0.711 60.718 61.300 0.214 0.000 1.123 282 I CB 1.471 39.602 38.000 0.218 0.000 1.237 282 I HN 0.141 nan 8.210 nan 0.000 0.460 283 V N 7.052 127.016 119.914 0.083 0.000 2.498 283 V HA 0.430 4.550 4.120 -0.000 0.000 0.279 283 V C 0.260 176.333 176.094 -0.035 0.000 1.048 283 V CA -0.309 62.010 62.300 0.031 0.000 0.967 283 V CB 1.389 33.218 31.823 0.009 0.000 0.988 283 V HN 0.646 nan 8.190 nan 0.000 0.473 284 R N 3.737 124.229 120.500 -0.013 0.000 2.621 284 R HA 0.639 4.979 4.340 -0.000 0.000 0.292 284 R C -0.653 175.638 176.300 -0.015 0.000 0.969 284 R CA -0.840 55.245 56.100 -0.025 0.000 0.887 284 R CB 2.551 32.854 30.300 0.006 0.000 1.180 284 R HN 0.635 nan 8.270 nan 0.000 0.450 285 R N 2.565 123.049 120.500 -0.026 0.000 2.473 285 R HA 0.190 4.530 4.340 -0.000 0.000 0.303 285 R C -0.843 175.456 176.300 -0.001 0.000 1.002 285 R CA -0.375 55.728 56.100 0.004 0.000 0.884 285 R CB 0.615 30.937 30.300 0.037 0.000 1.173 285 R HN 0.683 nan 8.270 nan 0.000 0.464 286 N N 3.847 122.546 118.700 -0.000 0.000 2.783 286 N HA -0.170 4.570 4.740 -0.000 0.000 0.247 286 N C -0.928 174.580 175.510 -0.002 0.000 1.089 286 N CA 1.585 54.633 53.050 -0.003 0.000 0.690 286 N CB -0.847 37.636 38.487 -0.006 0.000 0.991 286 N HN 0.959 nan 8.380 nan 0.000 0.552 287 D N -4.157 116.242 120.400 -0.000 0.000 2.837 287 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 287 D C 0.337 176.633 176.300 -0.006 0.000 1.033 287 D CA 1.710 55.710 54.000 -0.000 0.000 1.021 287 D CB -1.444 39.356 40.800 0.000 0.000 1.101 287 D HN 0.750 nan 8.370 nan 0.000 0.431 288 A N 0.455 123.268 122.820 -0.012 0.000 2.366 288 A HA 0.524 4.844 4.320 -0.000 0.000 0.272 288 A C 0.554 178.114 177.584 -0.040 0.000 1.135 288 A CA -0.342 51.682 52.037 -0.022 0.000 0.804 288 A CB 0.210 19.199 19.000 -0.018 0.000 1.064 288 A HN 0.112 nan 8.150 nan 0.000 0.499 289 I N 3.958 124.502 120.570 -0.042 0.000 2.268 289 I HA 0.023 4.192 4.170 -0.000 0.000 0.298 289 I C 1.350 177.411 176.117 -0.094 0.000 1.185 289 I CA 0.366 61.631 61.300 -0.057 0.000 1.548 289 I CB -0.061 37.908 38.000 -0.051 0.000 1.492 289 I HN 0.441 nan 8.210 nan 0.000 0.711 290 V N 3.175 122.993 119.914 -0.160 0.000 2.469 290 V HA -0.181 3.939 4.120 -0.000 0.000 0.251 290 V C 0.996 176.923 176.094 -0.278 0.000 1.064 290 V CA 1.647 63.770 62.300 -0.295 0.000 1.066 290 V CB -0.372 31.068 31.823 -0.638 0.000 0.667 290 V HN 0.877 nan 8.190 nan 0.000 0.461 291 Q N -0.775 118.914 119.800 -0.185 0.000 2.435 291 Q HA 0.488 4.828 4.340 -0.000 0.000 0.282 291 Q C -1.302 174.702 176.000 0.006 0.000 1.020 291 Q CA -0.298 55.468 55.803 -0.061 0.000 0.820 291 Q CB 2.372 31.102 28.738 -0.013 0.000 1.436 291 Q HN 0.242 nan 8.270 nan 0.000 0.395 292 S N 1.416 117.137 115.700 0.034 0.000 2.750 292 S HA 0.749 5.218 4.470 -0.000 0.000 0.276 292 S C -1.519 173.197 174.600 0.193 0.000 1.165 292 S CA -0.578 57.660 58.200 0.064 0.000 1.047 292 S CB 1.507 64.567 63.200 -0.234 0.000 1.056 292 S HN 0.565 nan 8.310 nan 0.000 0.481 293 V N 2.760 122.878 119.914 0.341 0.000 3.159 293 V HA 0.819 4.939 4.120 -0.000 0.000 0.308 293 V C -1.486 174.671 176.094 0.105 0.000 1.190 293 V CA -0.634 61.780 62.300 0.189 0.000 1.037 293 V CB 2.371 34.144 31.823 -0.082 0.000 1.060 293 V HN 0.891 nan 8.190 nan 0.000 0.437 294 V N 5.124 124.992 119.914 -0.077 0.000 2.444 294 V HA 0.596 4.716 4.120 -0.000 0.000 0.294 294 V C -0.449 175.495 176.094 -0.250 0.000 1.022 294 V CA -0.329 61.846 62.300 -0.208 0.000 0.850 294 V CB 1.455 33.129 31.823 -0.248 0.000 0.992 294 V HN 0.684 nan 8.190 nan 0.000 0.426 295 L N 2.943 124.023 121.223 -0.239 0.000 2.283 295 L HA 0.749 5.088 4.340 -0.000 0.000 0.259 295 L C -0.203 176.557 176.870 -0.184 0.000 1.027 295 L CA -0.566 54.108 54.840 -0.277 0.000 0.828 295 L CB 2.433 44.273 42.059 -0.365 0.000 1.380 295 L HN 0.622 nan 8.230 nan 0.000 0.425 296 S N -1.337 114.273 115.700 -0.149 0.000 2.536 296 S HA 0.386 4.856 4.470 -0.000 0.000 0.298 296 S C 0.418 174.998 174.600 -0.034 0.000 1.083 296 S CA -0.075 58.081 58.200 -0.075 0.000 0.995 296 S CB 1.688 64.869 63.200 -0.031 0.000 1.058 296 S HN 0.758 nan 8.310 nan 0.000 0.488 297 T N 0.431 114.958 114.554 -0.045 0.000 3.107 297 T HA 0.296 4.646 4.350 -0.000 0.000 0.249 297 T C 0.328 175.113 174.700 0.142 0.000 1.096 297 T CA 0.053 62.160 62.100 0.011 0.000 1.012 297 T CB -0.285 68.496 68.868 -0.145 0.000 0.977 297 T HN 0.469 nan 8.240 nan 0.000 0.527 298 K N 1.712 122.145 120.400 0.056 0.000 2.339 298 K HA 0.401 4.721 4.320 -0.000 0.000 0.264 298 K C -0.111 176.344 176.600 -0.241 0.000 0.986 298 K CA -0.855 55.376 56.287 -0.094 0.000 0.866 298 K CB 0.953 33.413 32.500 -0.066 0.000 1.103 298 K HN 0.175 nan 8.250 nan 0.000 0.441 299 R N 1.800 121.944 120.500 -0.593 0.000 2.758 299 R HA -0.018 4.321 4.340 -0.000 0.000 0.263 299 R C 1.028 177.178 176.300 -0.251 0.000 1.010 299 R CA 1.404 57.096 56.100 -0.681 0.000 1.114 299 R CB 0.153 30.067 30.300 -0.644 0.000 0.985 299 R HN 1.058 nan 8.270 nan 0.000 0.439 300 G N 1.010 109.728 108.800 -0.137 0.000 2.900 300 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.223 300 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.223 300 G C 0.600 175.489 174.900 -0.019 0.000 1.293 300 G CA -0.103 44.964 45.100 -0.057 0.000 0.792 300 G HN 0.972 nan 8.290 nan 0.000 0.527 301 G N 1.179 109.962 108.800 -0.027 0.000 2.257 301 G HA2 0.367 4.327 3.960 -0.000 0.000 0.235 301 G HA3 0.367 4.327 3.960 -0.000 0.000 0.235 301 G C 0.057 174.967 174.900 0.017 0.000 1.225 301 G CA 1.220 46.314 45.100 -0.009 0.000 0.878 301 G HN 0.810 nan 8.290 nan 0.000 0.505 302 K N 0.990 121.405 120.400 0.025 0.000 2.444 302 K HA 0.359 4.679 4.320 -0.000 0.000 0.252 302 K C -0.345 176.299 176.600 0.074 0.000 0.993 302 K CA -0.983 55.331 56.287 0.045 0.000 0.847 302 K CB 1.658 34.187 32.500 0.048 0.000 1.340 302 K HN 0.616 nan 8.250 nan 0.000 0.446 303 D N 0.446 120.907 120.400 0.101 0.000 2.376 303 D HA 0.017 4.657 4.640 -0.000 0.000 0.268 303 D C 1.057 177.448 176.300 0.152 0.000 1.252 303 D CA -0.322 53.782 54.000 0.173 0.000 1.041 303 D CB 0.127 41.005 40.800 0.130 0.000 1.109 303 D HN 0.566 nan 8.370 nan 0.000 0.552 304 I N -3.310 117.318 120.570 0.096 0.000 3.551 304 I HA 0.060 4.230 4.170 -0.000 0.000 0.307 304 I C -0.005 175.964 176.117 -0.247 0.000 1.215 304 I CA 0.141 61.392 61.300 -0.082 0.000 1.195 304 I CB -1.039 36.790 38.000 -0.284 0.000 0.998 304 I HN 0.188 nan 8.210 nan 0.000 0.510 305 Y N -0.001 120.254 120.300 -0.076 0.000 2.717 305 Y HA 0.191 4.741 4.550 -0.000 0.000 0.250 305 Y C 0.088 175.973 175.900 -0.026 0.000 1.149 305 Y CA -0.762 57.306 58.100 -0.053 0.000 1.211 305 Y CB 0.339 38.762 38.460 -0.061 0.000 1.289 305 Y HN 0.175 nan 8.280 nan 0.000 0.552 306 D N 0.347 120.810 120.400 0.105 0.000 2.911 306 D HA -0.174 4.465 4.640 -0.000 0.000 0.227 306 D C -0.454 175.892 176.300 0.077 0.000 1.164 306 D CA 1.139 55.181 54.000 0.069 0.000 0.782 306 D CB -1.137 39.688 40.800 0.042 0.000 1.094 306 D HN 0.094 nan 8.370 nan 0.000 0.425 307 S N 0.408 116.164 115.700 0.094 0.000 2.416 307 S HA 0.172 4.642 4.470 -0.000 0.000 0.287 307 S C 0.404 175.040 174.600 0.060 0.000 1.139 307 S CA -0.754 57.487 58.200 0.069 0.000 1.058 307 S CB 0.851 64.080 63.200 0.048 0.000 0.967 307 S HN 0.327 nan 8.310 nan 0.000 0.495 308 N N 3.545 122.283 118.700 0.064 0.000 2.394 308 N HA -0.069 4.671 4.740 -0.000 0.000 0.282 308 N C 0.481 176.037 175.510 0.077 0.000 1.351 308 N CA 0.043 53.138 53.050 0.074 0.000 0.936 308 N CB -0.211 38.327 38.487 0.085 0.000 1.274 308 N HN 0.715 nan 8.380 nan 0.000 0.489 309 I N 0.581 121.173 120.570 0.037 0.000 3.874 309 I HA 0.234 4.404 4.170 -0.000 0.000 0.331 309 I C -0.237 175.863 176.117 -0.029 0.000 1.489 309 I CA -0.918 60.349 61.300 -0.056 0.000 1.187 309 I CB -0.480 37.446 38.000 -0.124 0.000 1.150 309 I HN 0.254 nan 8.210 nan 0.000 0.412 310 Y N 2.429 122.691 120.300 -0.064 0.000 2.496 310 Y HA 0.265 4.814 4.550 -0.000 0.000 0.334 310 Y C 1.173 177.050 175.900 -0.040 0.000 1.080 310 Y CA -0.791 57.271 58.100 -0.063 0.000 1.355 310 Y CB 0.523 38.965 38.460 -0.030 0.000 1.193 310 Y HN 0.210 nan 8.280 nan 0.000 0.523 311 I N 3.807 124.092 120.570 -0.475 0.000 2.109 311 I HA -0.505 3.665 4.170 -0.000 0.000 0.233 311 I C 2.047 177.953 176.117 -0.350 0.000 1.005 311 I CA 2.130 63.214 61.300 -0.361 0.000 1.294 311 I CB -0.271 37.560 38.000 -0.283 0.000 1.005 311 I HN 0.673 nan 8.210 nan 0.000 0.392 312 D N 0.505 120.468 120.400 -0.729 0.000 2.172 312 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 312 D C 1.688 177.878 176.300 -0.185 0.000 0.999 312 D CA 1.765 55.536 54.000 -0.380 0.000 0.856 312 D CB -0.265 40.335 40.800 -0.333 0.000 0.934 312 D HN 0.454 nan 8.370 nan 0.000 0.453 313 D N -0.341 119.951 120.400 -0.180 0.000 2.144 313 D HA -0.084 4.556 4.640 -0.000 0.000 0.207 313 D C 1.816 178.090 176.300 -0.043 0.000 0.970 313 D CA 0.092 54.089 54.000 -0.005 0.000 0.853 313 D CB -0.675 40.196 40.800 0.117 0.000 1.007 313 D HN 0.143 nan 8.370 nan 0.000 0.469 314 F N 1.274 121.077 119.950 -0.245 0.000 2.063 314 F HA -0.317 4.210 4.527 -0.000 0.000 0.298 314 F C 1.934 177.493 175.800 -0.403 0.000 1.105 314 F CA 1.638 59.418 58.000 -0.366 0.000 1.215 314 F CB -0.546 38.110 39.000 -0.573 0.000 0.972 314 F HN -0.130 nan 8.300 nan 0.000 0.483 315 F N 0.265 120.013 119.950 -0.338 0.000 2.367 315 F HA 0.111 4.638 4.527 -0.000 0.000 0.298 315 F C 2.526 178.124 175.800 -0.337 0.000 1.094 315 F CA 0.822 58.497 58.000 -0.542 0.000 1.409 315 F CB -1.460 36.987 39.000 -0.922 0.000 1.064 315 F HN 0.072 nan 8.300 nan 0.000 0.528 316 A N -0.013 122.773 122.820 -0.058 0.000 2.131 316 A HA -0.149 4.170 4.320 -0.000 0.000 0.220 316 A C 1.015 178.629 177.584 0.049 0.000 1.158 316 A CA 1.141 53.226 52.037 0.079 0.000 0.665 316 A CB -0.677 18.361 19.000 0.064 0.000 0.795 316 A HN 0.341 nan 8.150 nan 0.000 0.460 317 K N -0.820 119.547 120.400 -0.055 0.000 2.679 317 K HA 0.409 4.729 4.320 -0.000 0.000 0.188 317 K C 0.495 177.015 176.600 -0.133 0.000 1.055 317 K CA 0.000 56.248 56.287 -0.066 0.000 1.006 317 K CB 0.595 33.056 32.500 -0.065 0.000 1.317 317 K HN 0.318 nan 8.250 nan 0.000 0.584 318 G N 1.488 110.248 108.800 -0.067 0.000 2.439 318 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.305 318 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.305 318 G C 0.913 175.688 174.900 -0.208 0.000 0.966 318 G CA 0.678 45.732 45.100 -0.077 0.000 0.890 318 G HN 0.738 nan 8.290 nan 0.000 0.513 319 G N -1.155 107.374 108.800 -0.452 0.000 2.432 319 G HA2 0.242 4.201 3.960 -0.000 0.000 0.219 319 G HA3 0.242 4.201 3.960 -0.000 0.000 0.219 319 G C 0.730 175.272 174.900 -0.596 0.000 1.135 319 G CA 1.412 45.888 45.100 -1.040 0.000 0.767 319 G HN 1.251 nan 8.290 nan 0.000 0.550 320 S N -1.451 114.158 115.700 -0.152 0.000 2.572 320 S HA 0.349 4.819 4.470 -0.000 0.000 0.274 320 S C 0.309 175.003 174.600 0.157 0.000 1.150 320 S CA -0.587 57.704 58.200 0.152 0.000 0.944 320 S CB 1.782 65.246 63.200 0.440 0.000 1.071 320 S HN 0.252 nan 8.310 nan 0.000 0.479 321 E N 2.112 122.424 120.200 0.187 0.000 2.347 321 E HA -0.051 4.299 4.350 -0.000 0.000 0.196 321 E C 0.174 176.670 176.600 -0.173 0.000 1.008 321 E CA 1.052 57.439 56.400 -0.022 0.000 0.852 321 E CB 0.172 29.791 29.700 -0.135 0.000 0.783 321 E HN 0.764 nan 8.360 nan 0.000 0.505 322 Y N -0.337 120.009 120.300 0.076 0.000 2.506 322 Y HA 0.200 4.750 4.550 -0.000 0.000 0.287 322 Y C 1.446 177.359 175.900 0.021 0.000 1.147 322 Y CA -0.314 57.843 58.100 0.097 0.000 1.241 322 Y CB 0.526 39.072 38.460 0.143 0.000 1.279 322 Y HN -0.065 nan 8.280 nan 0.000 0.527 323 I N -3.667 117.037 120.570 0.224 0.000 3.436 323 I HA 0.647 4.817 4.170 -0.000 0.000 0.300 323 I C -1.624 174.459 176.117 -0.057 0.000 1.131 323 I CA -1.075 60.269 61.300 0.073 0.000 1.001 323 I CB 2.857 40.907 38.000 0.082 0.000 1.305 323 I HN -0.053 nan 8.210 nan 0.000 0.494 324 F N 1.098 120.757 119.950 -0.485 0.000 2.622 324 F HA 0.772 5.299 4.527 -0.000 0.000 0.318 324 F C -0.911 174.433 175.800 -0.760 0.000 1.135 324 F CA -0.148 57.391 58.000 -0.769 0.000 1.015 324 F CB 1.784 40.553 39.000 -0.385 0.000 1.275 324 F HN 0.921 nan 8.300 nan 0.000 0.457 325 A N 2.606 124.680 122.820 -1.244 0.000 2.524 325 A HA 0.891 5.211 4.320 -0.000 0.000 0.286 325 A C -1.227 176.251 177.584 -0.176 0.000 1.203 325 A CA -0.656 51.114 52.037 -0.446 0.000 0.736 325 A CB 1.972 20.838 19.000 -0.224 0.000 1.322 325 A HN 0.729 nan 8.150 nan 0.000 0.424 326 T N -1.139 113.455 114.554 0.066 0.000 3.105 326 T HA 0.518 4.867 4.350 -0.000 0.000 0.321 326 T C 0.648 175.453 174.700 0.176 0.000 1.135 326 T CA 0.429 62.582 62.100 0.088 0.000 1.053 326 T CB 1.282 70.230 68.868 0.132 0.000 1.133 326 T HN 1.733 nan 8.240 nan 0.000 0.463 327 A N 3.332 126.197 122.820 0.075 0.000 2.125 327 A HA 0.068 4.388 4.320 -0.000 0.000 0.219 327 A C 1.196 178.899 177.584 0.198 0.000 1.156 327 A CA 0.900 53.004 52.037 0.111 0.000 0.671 327 A CB -0.571 18.495 19.000 0.109 0.000 0.794 327 A HN 0.801 nan 8.150 nan 0.000 0.459 328 Q N 0.235 120.132 119.800 0.162 0.000 2.263 328 Q HA 0.066 4.406 4.340 -0.000 0.000 0.289 328 Q C 0.031 176.091 176.000 0.099 0.000 1.061 328 Q CA 0.479 56.358 55.803 0.128 0.000 0.927 328 Q CB 0.035 28.840 28.738 0.111 0.000 1.154 328 Q HN 0.476 nan 8.270 nan 0.000 0.378 329 N N 1.965 120.713 118.700 0.078 0.000 2.713 329 N HA -0.235 4.505 4.740 -0.000 0.000 0.251 329 N C -1.369 174.151 175.510 0.016 0.000 1.117 329 N CA 0.855 53.920 53.050 0.025 0.000 0.770 329 N CB -1.015 37.445 38.487 -0.044 0.000 1.137 329 N HN 0.676 nan 8.380 nan 0.000 0.566 330 W N 2.901 124.127 121.300 -0.124 0.000 2.489 330 W HA 0.158 4.818 4.660 -0.000 0.000 0.327 330 W C -2.012 174.419 176.519 -0.147 0.000 1.436 330 W CA -1.137 56.085 57.345 -0.205 0.000 1.315 330 W CB -0.145 29.184 29.460 -0.218 0.000 1.373 330 W HN 0.036 nan 8.180 nan 0.000 0.557 331 P HA -0.066 nan 4.420 nan 0.000 0.264 331 P C -0.447 177.049 177.300 0.326 0.000 1.193 331 P CA 0.729 63.889 63.100 0.101 0.000 0.763 331 P CB 0.440 32.186 31.700 0.077 0.000 0.810 332 E N 1.933 122.304 120.200 0.285 0.000 2.414 332 E HA 0.175 4.525 4.350 -0.000 0.000 0.263 332 E C 1.275 178.098 176.600 0.373 0.000 1.000 332 E CA 0.609 57.209 56.400 0.333 0.000 0.914 332 E CB -0.062 29.763 29.700 0.208 0.000 0.948 332 E HN 0.759 nan 8.360 nan 0.000 0.444 333 G N 3.665 112.766 108.800 0.502 0.000 2.212 333 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.267 333 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.267 333 G C 0.078 175.241 174.900 0.439 0.000 1.002 333 G CA 0.356 45.701 45.100 0.407 0.000 0.729 333 G HN 0.579 nan 8.290 nan 0.000 0.517 334 F N 1.733 121.906 119.950 0.373 0.000 2.572 334 F HA 0.476 5.003 4.527 -0.000 0.000 0.370 334 F C 0.458 176.409 175.800 0.252 0.000 1.103 334 F CA 0.778 58.885 58.000 0.179 0.000 1.286 334 F CB 0.743 39.698 39.000 -0.075 0.000 1.105 334 F HN 0.071 nan 8.300 nan 0.000 0.583 335 S N 3.339 118.737 115.700 -0.504 0.000 2.575 335 S HA 0.836 5.306 4.470 -0.000 0.000 0.278 335 S C -0.283 173.983 174.600 -0.556 0.000 1.139 335 S CA -0.226 57.822 58.200 -0.253 0.000 0.954 335 S CB 1.541 64.737 63.200 -0.007 0.000 1.054 335 S HN 1.234 nan 8.310 nan 0.000 0.483 336 G N 1.476 110.169 108.800 -0.179 0.000 2.317 336 G HA2 0.410 4.370 3.960 -0.000 0.000 0.293 336 G HA3 0.410 4.370 3.960 -0.000 0.000 0.293 336 G C -2.344 172.693 174.900 0.228 0.000 1.287 336 G CA -0.702 44.414 45.100 0.027 0.000 0.850 336 G HN 0.495 nan 8.290 nan 0.000 0.515 337 I N 1.384 122.118 120.570 0.272 0.000 2.355 337 I HA 0.425 4.595 4.170 -0.000 0.000 0.288 337 I C 0.107 176.389 176.117 0.276 0.000 0.999 337 I CA -0.714 60.720 61.300 0.223 0.000 1.163 337 I CB 0.814 38.896 38.000 0.136 0.000 1.316 337 I HN 0.320 nan 8.210 nan 0.000 0.454 338 L N 5.799 127.141 121.223 0.199 0.000 2.292 338 L HA 0.379 4.719 4.340 -0.000 0.000 0.284 338 L C 0.349 177.278 176.870 0.098 0.000 1.065 338 L CA -0.153 54.767 54.840 0.133 0.000 0.806 338 L CB 1.137 43.208 42.059 0.019 0.000 1.175 338 L HN 0.521 nan 8.230 nan 0.000 0.431 339 T N 4.916 119.525 114.554 0.092 0.000 2.874 339 T HA 0.427 4.777 4.350 -0.000 0.000 0.321 339 T C 0.098 174.827 174.700 0.048 0.000 1.075 339 T CA -0.459 61.680 62.100 0.066 0.000 0.966 339 T CB 0.306 69.211 68.868 0.062 0.000 1.001 339 T HN 0.277 nan 8.240 nan 0.000 0.476 340 L N 3.705 124.957 121.223 0.049 0.000 2.380 340 L HA 0.589 4.929 4.340 -0.000 0.000 0.273 340 L C 0.787 177.685 176.870 0.047 0.000 1.138 340 L CA -0.170 54.699 54.840 0.048 0.000 0.832 340 L CB 0.547 42.644 42.059 0.063 0.000 1.124 340 L HN 0.752 nan 8.230 nan 0.000 0.454 341 S N -0.152 115.573 115.700 0.043 0.000 2.683 341 S HA 0.696 5.166 4.470 -0.000 0.000 0.269 341 S C 0.288 174.911 174.600 0.038 0.000 1.165 341 S CA -0.150 58.075 58.200 0.042 0.000 0.840 341 S CB 1.430 64.650 63.200 0.034 0.000 1.169 341 S HN 1.032 nan 8.310 nan 0.000 0.490 342 G N -0.097 108.725 108.800 0.037 0.000 2.234 342 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.260 342 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.260 342 G C 0.954 175.876 174.900 0.038 0.000 0.987 342 G CA 0.383 45.501 45.100 0.030 0.000 0.625 342 G HN 1.927 nan 8.290 nan 0.000 0.532 343 G N -0.077 108.756 108.800 0.055 0.000 2.341 343 G HA2 0.426 4.386 3.960 -0.000 0.000 0.231 343 G HA3 0.426 4.386 3.960 -0.000 0.000 0.231 343 G C -0.263 174.678 174.900 0.068 0.000 1.206 343 G CA 0.780 45.927 45.100 0.078 0.000 0.865 343 G HN 1.162 nan 8.290 nan 0.000 0.515 344 L N 1.725 122.989 121.223 0.068 0.000 2.641 344 L HA 0.433 4.773 4.340 -0.000 0.000 0.261 344 L C -0.325 176.576 176.870 0.051 0.000 0.926 344 L CA -0.529 54.342 54.840 0.051 0.000 0.917 344 L CB 1.881 43.958 42.059 0.029 0.000 1.361 344 L HN 0.800 nan 8.230 nan 0.000 0.417 345 S N 1.140 116.876 115.700 0.059 0.000 2.530 345 S HA 0.600 5.070 4.470 -0.000 0.000 0.322 345 S C -0.116 174.497 174.600 0.022 0.000 1.085 345 S CA -0.548 57.677 58.200 0.043 0.000 1.096 345 S CB 1.382 64.629 63.200 0.077 0.000 0.988 345 S HN 0.568 nan 8.310 nan 0.000 0.466 346 S N 3.472 119.174 115.700 0.003 0.000 3.315 346 S HA 0.272 4.741 4.470 -0.000 0.000 0.195 346 S C 0.724 175.312 174.600 -0.020 0.000 1.394 346 S CA -0.954 57.245 58.200 -0.002 0.000 0.983 346 S CB -0.271 62.929 63.200 -0.000 0.000 1.370 346 S HN 0.699 nan 8.310 nan 0.000 0.491 347 N N 3.097 121.781 118.700 -0.026 0.000 2.166 347 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 347 N C 2.070 177.563 175.510 -0.028 0.000 1.019 347 N CA 1.352 54.372 53.050 -0.051 0.000 0.856 347 N CB -0.757 37.702 38.487 -0.047 0.000 0.993 347 N HN 0.702 nan 8.380 nan 0.000 0.426 348 A N 0.917 123.732 122.820 -0.009 0.000 1.944 348 A HA -0.226 4.093 4.320 -0.000 0.000 0.222 348 A C 0.466 178.050 177.584 0.001 0.000 1.237 348 A CA 1.757 53.794 52.037 0.001 0.000 0.668 348 A CB -0.420 18.584 19.000 0.006 0.000 0.830 348 A HN 0.446 nan 8.150 nan 0.000 0.471 349 E N -1.301 118.897 120.200 -0.003 0.000 2.437 349 E HA 0.550 4.900 4.350 -0.000 0.000 0.238 349 E C -1.419 175.177 176.600 -0.006 0.000 0.969 349 E CA -0.202 56.198 56.400 0.001 0.000 0.759 349 E CB 1.795 31.499 29.700 0.006 0.000 1.283 349 E HN 0.008 nan 8.360 nan 0.000 0.416 350 V N 2.590 122.497 119.914 -0.012 0.000 2.349 350 V HA 0.281 4.400 4.120 -0.000 0.000 0.284 350 V C 0.208 176.307 176.094 0.009 0.000 1.014 350 V CA -0.725 61.565 62.300 -0.017 0.000 0.826 350 V CB 1.804 33.583 31.823 -0.073 0.000 1.009 350 V HN 0.674 nan 8.190 nan 0.000 0.431 351 T N 4.104 118.675 114.554 0.028 0.000 2.903 351 T HA 0.315 4.664 4.350 -0.000 0.000 0.314 351 T C 1.566 176.304 174.700 0.063 0.000 1.078 351 T CA 0.496 62.622 62.100 0.044 0.000 1.114 351 T CB 1.254 70.149 68.868 0.044 0.000 0.987 351 T HN 0.889 nan 8.240 nan 0.000 0.548 352 A N 4.281 127.147 122.820 0.077 0.000 1.903 352 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 352 A C 2.519 180.180 177.584 0.129 0.000 1.191 352 A CA 2.570 54.672 52.037 0.109 0.000 0.638 352 A CB -1.673 17.393 19.000 0.111 0.000 0.823 352 A HN 1.104 nan 8.150 nan 0.000 0.451 353 G N -0.226 108.636 108.800 0.104 0.000 2.440 353 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.218 353 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.218 353 G C 0.994 175.979 174.900 0.142 0.000 1.154 353 G CA 1.392 46.557 45.100 0.108 0.000 0.767 353 G HN 0.568 nan 8.290 nan 0.000 0.552 354 D N 0.176 120.650 120.400 0.122 0.000 2.228 354 D HA -0.085 4.555 4.640 -0.000 0.000 0.203 354 D C 2.365 178.756 176.300 0.153 0.000 0.988 354 D CA 0.424 54.517 54.000 0.157 0.000 0.864 354 D CB -0.092 40.773 40.800 0.108 0.000 0.928 354 D HN 0.338 nan 8.370 nan 0.000 0.469 355 L N -0.522 120.774 121.223 0.122 0.000 2.068 355 L HA -0.034 4.306 4.340 -0.000 0.000 0.204 355 L C 2.241 179.285 176.870 0.290 0.000 1.076 355 L CA 0.734 55.639 54.840 0.108 0.000 0.753 355 L CB -0.189 41.974 42.059 0.173 0.000 0.910 355 L HN 0.061 nan 8.230 nan 0.000 0.439 356 M N -0.826 119.006 119.600 0.387 0.000 2.159 356 M HA -0.213 4.267 4.480 -0.000 0.000 0.263 356 M C 2.041 178.633 176.300 0.487 0.000 1.063 356 M CA 1.589 57.217 55.300 0.546 0.000 1.110 356 M CB -0.376 32.470 32.600 0.411 0.000 1.374 356 M HN 0.160 nan 8.290 nan 0.000 0.411 357 E N 0.446 120.858 120.200 0.353 0.000 2.097 357 E HA -0.223 4.127 4.350 -0.000 0.000 0.196 357 E C 2.082 178.990 176.600 0.514 0.000 1.000 357 E CA 1.418 58.035 56.400 0.361 0.000 0.804 357 E CB -0.109 29.756 29.700 0.275 0.000 0.740 357 E HN 0.544 nan 8.360 nan 0.000 0.454 358 A N 0.612 123.684 122.820 0.419 0.000 1.832 358 A HA -0.173 4.147 4.320 -0.000 0.000 0.214 358 A C 1.818 179.534 177.584 0.221 0.000 1.200 358 A CA 1.173 53.292 52.037 0.136 0.000 0.610 358 A CB -1.292 17.516 19.000 -0.320 0.000 0.842 358 A HN 0.402 nan 8.150 nan 0.000 0.444 359 W N 0.494 121.963 121.300 0.283 0.000 2.308 359 W HA -0.240 4.420 4.660 -0.000 0.000 0.301 359 W C 1.594 178.385 176.519 0.454 0.000 1.220 359 W CA 1.116 58.701 57.345 0.400 0.000 1.240 359 W CB -0.259 29.372 29.460 0.286 0.000 1.142 359 W HN 0.374 nan 8.180 nan 0.000 0.521 360 D N -0.682 120.090 120.400 0.621 0.000 2.271 360 D HA -0.189 4.450 4.640 -0.000 0.000 0.207 360 D C 1.523 178.017 176.300 0.323 0.000 0.983 360 D CA 1.159 55.423 54.000 0.441 0.000 0.878 360 D CB -0.814 40.196 40.800 0.349 0.000 0.920 360 D HN 0.181 nan 8.370 nan 0.000 0.479 361 F N -0.953 119.000 119.950 0.004 0.000 2.583 361 F HA -0.094 4.432 4.527 -0.000 0.000 0.297 361 F C 1.157 176.746 175.800 -0.351 0.000 1.131 361 F CA 0.363 58.211 58.000 -0.253 0.000 1.467 361 F CB -0.081 38.638 39.000 -0.468 0.000 1.097 361 F HN -0.034 nan 8.300 nan 0.000 0.586 362 F N -1.415 118.737 119.950 0.337 0.000 2.682 362 F HA 0.317 4.844 4.527 -0.000 0.000 0.308 362 F C 1.663 177.621 175.800 0.263 0.000 1.093 362 F CA -0.128 58.047 58.000 0.291 0.000 1.244 362 F CB -0.404 38.807 39.000 0.352 0.000 1.052 362 F HN -0.192 nan 8.300 nan 0.000 0.573 363 A N 0.771 123.788 122.820 0.329 0.000 2.416 363 A HA 0.274 4.594 4.320 -0.000 0.000 0.252 363 A C -0.657 176.997 177.584 0.117 0.000 1.353 363 A CA 0.102 52.263 52.037 0.207 0.000 0.996 363 A CB -1.422 17.672 19.000 0.158 0.000 0.961 363 A HN 0.260 nan 8.150 nan 0.000 0.523 364 D N -2.495 117.981 120.400 0.126 0.000 2.591 364 D HA 0.248 4.888 4.640 -0.000 0.000 0.222 364 D C 0.228 176.579 176.300 0.084 0.000 1.360 364 D CA -0.700 53.344 54.000 0.073 0.000 0.967 364 D CB 0.240 41.062 40.800 0.036 0.000 1.456 364 D HN 0.024 nan 8.370 nan 0.000 0.588 365 R N 1.020 121.564 120.500 0.072 0.000 2.200 365 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 365 R C 1.268 177.604 176.300 0.059 0.000 1.127 365 R CA 1.311 57.456 56.100 0.074 0.000 0.989 365 R CB -0.085 30.248 30.300 0.055 0.000 0.869 365 R HN 0.561 nan 8.270 nan 0.000 0.459 366 E N 0.146 120.372 120.200 0.043 0.000 2.033 366 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 366 E C 1.890 178.513 176.600 0.039 0.000 1.011 366 E CA 1.976 58.395 56.400 0.031 0.000 0.815 366 E CB -0.005 29.706 29.700 0.018 0.000 0.755 366 E HN 0.327 nan 8.360 nan 0.000 0.451 367 S N 0.238 115.965 115.700 0.044 0.000 2.341 367 S HA -0.015 4.455 4.470 -0.000 0.000 0.216 367 S C 0.897 175.540 174.600 0.071 0.000 1.034 367 S CA 0.655 58.882 58.200 0.044 0.000 0.964 367 S CB 0.068 63.284 63.200 0.027 0.000 0.882 367 S HN 0.157 nan 8.310 nan 0.000 0.469 368 V N 2.130 122.110 119.914 0.110 0.000 2.444 368 V HA 0.480 4.600 4.120 -0.000 0.000 0.294 368 V C -1.345 174.847 176.094 0.162 0.000 1.022 368 V CA -1.325 61.064 62.300 0.149 0.000 0.850 368 V CB 1.506 33.461 31.823 0.220 0.000 0.992 368 V HN 0.317 nan 8.190 nan 0.000 0.426 369 D N 4.814 125.290 120.400 0.127 0.000 2.435 369 D HA 0.272 4.912 4.640 -0.000 0.000 0.230 369 D C 0.207 176.576 176.300 0.116 0.000 1.215 369 D CA -0.119 53.950 54.000 0.115 0.000 0.947 369 D CB 1.397 42.248 40.800 0.086 0.000 1.048 369 D HN 0.711 nan 8.370 nan 0.000 0.512 370 V N -0.350 119.646 119.914 0.137 0.000 2.407 370 V HA 0.277 4.397 4.120 -0.000 0.000 0.291 370 V C 0.558 176.724 176.094 0.121 0.000 1.018 370 V CA -0.787 61.560 62.300 0.080 0.000 0.842 370 V CB 1.669 33.475 31.823 -0.028 0.000 0.996 370 V HN 0.054 nan 8.190 nan 0.000 0.426 371 Q N 3.940 123.796 119.800 0.093 0.000 2.123 371 Q HA 0.390 4.730 4.340 -0.000 0.000 0.196 371 Q C 0.212 176.311 176.000 0.165 0.000 0.958 371 Q CA 1.450 57.328 55.803 0.126 0.000 0.841 371 Q CB -0.003 28.794 28.738 0.098 0.000 0.915 371 Q HN 0.849 nan 8.270 nan 0.000 0.455 372 L N -0.894 120.398 121.223 0.115 0.000 2.319 372 L HA 0.483 4.823 4.340 -0.000 0.000 0.267 372 L C -0.945 175.972 176.870 0.079 0.000 1.011 372 L CA -0.725 54.199 54.840 0.140 0.000 0.818 372 L CB 1.496 43.618 42.059 0.106 0.000 1.316 372 L HN -0.039 nan 8.230 nan 0.000 0.432 373 F N 1.833 121.729 119.950 -0.090 0.000 2.513 373 F HA 0.444 4.970 4.527 -0.000 0.000 0.358 373 F C -0.032 175.685 175.800 -0.138 0.000 1.118 373 F CA -0.401 57.502 58.000 -0.162 0.000 1.037 373 F CB 1.242 40.108 39.000 -0.224 0.000 1.276 373 F HN 0.191 nan 8.300 nan 0.000 0.446 374 I N 3.907 124.456 120.570 -0.035 0.000 2.494 374 I HA 0.148 4.318 4.170 -0.000 0.000 0.289 374 I C 0.793 176.957 176.117 0.077 0.000 1.106 374 I CA 0.464 61.776 61.300 0.020 0.000 1.369 374 I CB 1.028 39.017 38.000 -0.018 0.000 1.410 374 I HN 0.778 nan 8.210 nan 0.000 0.523 375 A N 4.913 127.736 122.820 0.005 0.000 2.009 375 A HA 0.240 4.559 4.320 -0.000 0.000 0.197 375 A C 2.082 179.668 177.584 0.002 0.000 1.471 375 A CA 0.562 52.567 52.037 -0.053 0.000 0.973 375 A CB -0.393 18.506 19.000 -0.168 0.000 1.020 375 A HN 0.710 nan 8.150 nan 0.000 0.476 376 G N 1.224 110.002 108.800 -0.036 0.000 2.537 376 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 376 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 376 G C 1.553 176.430 174.900 -0.038 0.000 1.111 376 G CA 1.602 46.657 45.100 -0.076 0.000 0.748 376 G HN 0.888 nan 8.290 nan 0.000 0.564 377 S N -0.615 115.082 115.700 -0.005 0.000 2.488 377 S HA -0.151 4.319 4.470 -0.000 0.000 0.246 377 S C 1.755 176.202 174.600 -0.255 0.000 0.992 377 S CA 1.117 59.243 58.200 -0.124 0.000 0.963 377 S CB -0.708 62.468 63.200 -0.041 0.000 0.754 377 S HN 0.381 nan 8.310 nan 0.000 0.519 378 C N 1.305 120.591 119.300 -0.023 0.000 2.791 378 C HA 0.654 5.114 4.460 -0.000 0.000 0.270 378 C C 2.801 177.812 174.990 0.035 0.000 1.257 378 C CA -0.623 58.421 59.018 0.043 0.000 1.699 378 C CB -1.640 26.202 27.740 0.171 0.000 1.904 378 C HN 0.719 nan 8.230 nan 0.000 0.603 379 A N 1.951 124.803 122.820 0.052 0.000 1.940 379 A HA -0.134 4.186 4.320 -0.000 0.000 0.221 379 A C 2.351 179.997 177.584 0.104 0.000 1.190 379 A CA 2.476 54.617 52.037 0.173 0.000 0.647 379 A CB -1.155 18.269 19.000 0.706 0.000 0.821 379 A HN 0.567 nan 8.150 nan 0.000 0.457 380 G N -1.078 107.741 108.800 0.032 0.000 2.464 380 G HA2 0.094 4.054 3.960 -0.000 0.000 0.217 380 G HA3 0.094 4.054 3.960 -0.000 0.000 0.217 380 G C 0.795 175.694 174.900 -0.002 0.000 1.138 380 G CA 0.749 45.827 45.100 -0.036 0.000 0.793 380 G HN 0.541 nan 8.290 nan 0.000 0.539 381 E N 0.899 121.122 120.200 0.038 0.000 2.435 381 E HA 0.267 4.617 4.350 -0.000 0.000 0.256 381 E C 0.572 177.201 176.600 0.048 0.000 1.245 381 E CA -0.138 56.302 56.400 0.066 0.000 0.989 381 E CB 0.325 30.095 29.700 0.116 0.000 0.983 381 E HN 0.141 nan 8.360 nan 0.000 0.480 382 S N 2.421 118.154 115.700 0.056 0.000 2.784 382 S HA -0.136 4.334 4.470 -0.000 0.000 0.322 382 S C 1.492 176.126 174.600 0.057 0.000 1.234 382 S CA -0.107 58.124 58.200 0.050 0.000 1.064 382 S CB 0.026 63.260 63.200 0.057 0.000 0.787 382 S HN 0.557 nan 8.310 nan 0.000 0.506 383 L N 3.188 124.437 121.223 0.043 0.000 2.058 383 L HA -0.335 4.005 4.340 -0.000 0.000 0.226 383 L C 2.332 179.262 176.870 0.101 0.000 1.089 383 L CA 2.176 57.046 54.840 0.049 0.000 0.799 383 L CB -0.662 41.434 42.059 0.062 0.000 0.900 383 L HN 0.804 nan 8.230 nan 0.000 0.442 384 E N -0.947 119.319 120.200 0.110 0.000 2.037 384 E HA -0.344 4.006 4.350 -0.000 0.000 0.214 384 E C 1.906 178.591 176.600 0.143 0.000 1.041 384 E CA 2.342 58.821 56.400 0.131 0.000 0.872 384 E CB -0.566 29.195 29.700 0.101 0.000 0.785 384 E HN 0.553 nan 8.360 nan 0.000 0.476 385 T N 0.054 114.680 114.554 0.120 0.000 2.778 385 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 385 T C 1.867 176.656 174.700 0.149 0.000 1.050 385 T CA 1.588 63.768 62.100 0.134 0.000 1.137 385 T CB -0.301 68.641 68.868 0.123 0.000 0.860 385 T HN 0.314 nan 8.240 nan 0.000 0.468 386 A N 0.620 123.514 122.820 0.122 0.000 1.903 386 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 386 A C 2.698 180.377 177.584 0.158 0.000 1.191 386 A CA 2.693 54.790 52.037 0.100 0.000 0.638 386 A CB -1.034 17.981 19.000 0.025 0.000 0.823 386 A HN 0.631 nan 8.150 nan 0.000 0.451 387 S N -1.323 114.524 115.700 0.244 0.000 2.341 387 S HA -0.098 4.372 4.470 -0.000 0.000 0.216 387 S C 2.250 177.014 174.600 0.274 0.000 1.034 387 S CA 1.566 59.996 58.200 0.382 0.000 0.964 387 S CB -0.809 62.700 63.200 0.516 0.000 0.882 387 S HN 0.829 nan 8.310 nan 0.000 0.469 388 T N 2.034 116.720 114.554 0.221 0.000 2.881 388 T HA -0.053 4.297 4.350 -0.000 0.000 0.270 388 T C 1.693 176.513 174.700 0.200 0.000 1.068 388 T CA 1.226 63.438 62.100 0.185 0.000 1.131 388 T CB -0.536 68.418 68.868 0.144 0.000 0.871 388 T HN 0.106 nan 8.240 nan 0.000 0.479 389 V N 1.403 121.441 119.914 0.207 0.000 2.229 389 V HA -0.154 3.965 4.120 -0.000 0.000 0.243 389 V C 2.895 179.085 176.094 0.160 0.000 1.042 389 V CA 2.108 64.551 62.300 0.238 0.000 1.000 389 V CB -0.942 31.041 31.823 0.266 0.000 0.637 389 V HN 0.514 nan 8.190 nan 0.000 0.446 390 Q N -0.053 119.811 119.800 0.107 0.000 2.029 390 Q HA -0.348 3.992 4.340 -0.000 0.000 0.209 390 Q C 2.385 178.451 176.000 0.110 0.000 0.999 390 Q CA 2.350 58.169 55.803 0.027 0.000 0.857 390 Q CB -0.385 28.352 28.738 -0.002 0.000 0.926 390 Q HN 0.514 nan 8.270 nan 0.000 0.415 391 K N -0.135 120.410 120.400 0.241 0.000 2.077 391 K HA -0.290 4.030 4.320 -0.000 0.000 0.213 391 K C 2.135 178.816 176.600 0.135 0.000 1.051 391 K CA 1.961 58.393 56.287 0.240 0.000 0.929 391 K CB -0.304 32.319 32.500 0.205 0.000 0.715 391 K HN 0.429 nan 8.250 nan 0.000 0.451 392 H N -0.468 118.627 119.070 0.041 0.000 2.389 392 H HA -0.069 4.487 4.556 -0.000 0.000 0.299 392 H C 1.843 177.143 175.328 -0.047 0.000 1.081 392 H CA 1.299 57.354 56.048 0.012 0.000 1.345 392 H CB 0.249 30.047 29.762 0.059 0.000 1.393 392 H HN 0.033 nan 8.280 nan 0.000 0.520 393 V N 0.995 120.717 119.914 -0.321 0.000 2.392 393 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 393 V C 2.843 178.693 176.094 -0.406 0.000 1.059 393 V CA 1.360 63.352 62.300 -0.513 0.000 1.051 393 V CB -0.532 30.900 31.823 -0.652 0.000 0.658 393 V HN 0.286 nan 8.190 nan 0.000 0.455 394 V N -0.687 119.088 119.914 -0.232 0.000 2.407 394 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 394 V C 2.232 178.199 176.094 -0.213 0.000 1.055 394 V CA 2.221 64.406 62.300 -0.191 0.000 1.049 394 V CB -0.483 31.298 31.823 -0.070 0.000 0.662 394 V HN 0.548 nan 8.190 nan 0.000 0.455 395 S N -1.472 114.133 115.700 -0.160 0.000 2.803 395 S HA 0.255 4.725 4.470 -0.000 0.000 0.228 395 S C 1.259 175.775 174.600 -0.141 0.000 0.953 395 S CA 0.224 58.360 58.200 -0.106 0.000 0.983 395 S CB -0.301 62.910 63.200 0.019 0.000 0.784 395 S HN 0.510 nan 8.310 nan 0.000 0.498 396 I N -0.989 119.425 120.570 -0.261 0.000 3.812 396 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 396 I C 2.402 178.315 176.117 -0.340 0.000 1.206 396 I CA 0.413 61.568 61.300 -0.242 0.000 1.370 396 I CB -0.334 37.528 38.000 -0.230 0.000 1.328 396 I HN 0.352 nan 8.210 nan 0.000 0.453 397 G N 0.488 108.969 108.800 -0.532 0.000 2.408 397 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 397 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 397 G C 1.140 175.721 174.900 -0.532 0.000 1.150 397 G CA 0.778 45.536 45.100 -0.571 0.000 0.776 397 G HN 0.188 nan 8.290 nan 0.000 0.542 398 D N 0.408 120.562 120.400 -0.409 0.000 2.087 398 D HA -0.113 4.527 4.640 -0.000 0.000 0.192 398 D C 2.702 178.802 176.300 -0.333 0.000 0.993 398 D CA 0.955 54.731 54.000 -0.373 0.000 0.828 398 D CB -0.463 40.214 40.800 -0.205 0.000 0.968 398 D HN 0.127 nan 8.370 nan 0.000 0.448 399 V N 0.963 120.743 119.914 -0.223 0.000 3.078 399 V HA -0.131 3.988 4.120 -0.000 0.000 0.265 399 V C 2.178 178.180 176.094 -0.153 0.000 1.122 399 V CA 1.592 63.802 62.300 -0.150 0.000 1.141 399 V CB -0.558 31.213 31.823 -0.087 0.000 0.735 399 V HN 0.290 nan 8.190 nan 0.000 0.498 400 R N -0.138 120.237 120.500 -0.209 0.000 2.257 400 R HA 0.128 4.468 4.340 -0.000 0.000 0.195 400 R C 0.932 177.111 176.300 -0.201 0.000 0.921 400 R CA 0.097 56.106 56.100 -0.152 0.000 1.069 400 R CB -0.107 30.140 30.300 -0.088 0.000 1.115 400 R HN 0.377 nan 8.270 nan 0.000 0.571 401 Q N 1.385 120.933 119.800 -0.420 0.000 2.435 401 Q HA -0.198 4.141 4.340 -0.000 0.000 0.286 401 Q C -1.114 174.830 176.000 -0.093 0.000 1.229 401 Q CA 1.222 56.684 55.803 -0.569 0.000 0.884 401 Q CB -1.226 27.273 28.738 -0.398 0.000 1.245 401 Q HN 0.521 nan 8.270 nan 0.000 0.488 402 D N -0.207 120.167 120.400 -0.043 0.000 2.513 402 D HA 0.442 5.082 4.640 -0.000 0.000 0.295 402 D C -0.366 176.006 176.300 0.118 0.000 1.202 402 D CA 0.190 54.239 54.000 0.082 0.000 0.849 402 D CB 0.058 40.901 40.800 0.071 0.000 1.116 402 D HN 0.356 nan 8.370 nan 0.000 0.502 403 C N -0.115 119.288 119.300 0.173 0.000 3.232 403 C HA 0.601 5.061 4.460 -0.000 0.000 0.315 403 C C -1.866 173.250 174.990 0.210 0.000 1.401 403 C CA -1.208 57.920 59.018 0.185 0.000 1.142 403 C CB 0.415 28.224 27.740 0.116 0.000 1.559 403 C HN 0.475 nan 8.230 nan 0.000 0.408 404 L N 0.965 122.284 121.223 0.159 0.000 2.676 404 L HA 0.652 4.992 4.340 -0.000 0.000 0.262 404 L C -1.444 175.473 176.870 0.079 0.000 0.932 404 L CA -0.205 54.705 54.840 0.116 0.000 0.932 404 L CB 1.721 43.833 42.059 0.088 0.000 1.355 404 L HN 0.807 nan 8.230 nan 0.000 0.421 405 V N 5.162 125.068 119.914 -0.014 0.000 2.472 405 V HA 0.540 4.660 4.120 -0.000 0.000 0.290 405 V C -0.467 175.633 176.094 0.010 0.000 1.037 405 V CA -0.501 61.755 62.300 -0.072 0.000 0.908 405 V CB 1.824 33.494 31.823 -0.255 0.000 0.985 405 V HN 0.568 nan 8.190 nan 0.000 0.454 406 L N 3.699 124.936 121.223 0.023 0.000 2.438 406 L HA 0.908 5.248 4.340 -0.000 0.000 0.270 406 L C -0.822 176.042 176.870 -0.010 0.000 0.972 406 L CA -0.331 54.520 54.840 0.017 0.000 0.831 406 L CB 1.491 43.562 42.059 0.020 0.000 1.273 406 L HN 0.524 nan 8.230 nan 0.000 0.405 407 C N 0.561 119.849 119.300 -0.021 0.000 2.783 407 C HA 0.858 5.317 4.460 -0.000 0.000 0.312 407 C C 0.177 175.092 174.990 -0.126 0.000 1.182 407 C CA -0.507 58.461 59.018 -0.082 0.000 1.432 407 C CB 1.842 29.498 27.740 -0.141 0.000 1.933 407 C HN 0.950 nan 8.230 nan 0.000 0.473 408 S N 2.197 117.785 115.700 -0.186 0.000 2.607 408 S HA 0.776 5.246 4.470 -0.000 0.000 0.303 408 S C -2.633 171.769 174.600 -0.331 0.000 1.086 408 S CA -0.938 57.105 58.200 -0.262 0.000 0.995 408 S CB 1.548 64.548 63.200 -0.333 0.000 1.084 408 S HN 0.702 nan 8.310 nan 0.000 0.507 409 P HA 0.312 nan 4.420 nan 0.000 0.272 409 P C -2.908 174.123 177.300 -0.448 0.000 1.240 409 P CA -1.487 61.318 63.100 -0.493 0.000 0.791 409 P CB -0.701 30.783 31.700 -0.360 0.000 0.978 410 P HA 0.290 nan 4.420 nan 0.000 0.280 410 P C 1.142 178.408 177.300 -0.058 0.000 1.244 410 P CA -0.232 62.703 63.100 -0.276 0.000 0.784 410 P CB 0.489 31.887 31.700 -0.503 0.000 0.913 411 R N 2.047 122.591 120.500 0.073 0.000 2.133 411 R HA -0.249 4.091 4.340 -0.000 0.000 0.245 411 R C 1.739 177.921 176.300 -0.198 0.000 1.137 411 R CA 1.944 57.914 56.100 -0.217 0.000 0.947 411 R CB -0.427 29.598 30.300 -0.458 0.000 0.865 411 R HN 0.621 nan 8.270 nan 0.000 0.437 412 E N -0.836 119.269 120.200 -0.158 0.000 2.136 412 E HA -0.295 4.055 4.350 -0.000 0.000 0.208 412 E C 1.886 178.420 176.600 -0.110 0.000 1.035 412 E CA 2.079 58.412 56.400 -0.112 0.000 0.838 412 E CB -0.261 29.405 29.700 -0.056 0.000 0.748 412 E HN 0.283 nan 8.360 nan 0.000 0.459 413 T N -0.967 113.489 114.554 -0.165 0.000 3.055 413 T HA 0.020 4.370 4.350 -0.000 0.000 0.265 413 T C 1.425 176.042 174.700 -0.138 0.000 1.111 413 T CA 0.616 62.615 62.100 -0.168 0.000 1.118 413 T CB 0.340 68.966 68.868 -0.403 0.000 0.909 413 T HN -0.037 nan 8.240 nan 0.000 0.501 414 V N -0.684 119.139 119.914 -0.153 0.000 3.368 414 V HA 0.216 4.336 4.120 -0.000 0.000 0.255 414 V C 2.042 178.006 176.094 -0.218 0.000 1.466 414 V CA 0.256 62.470 62.300 -0.143 0.000 1.095 414 V CB 1.025 32.784 31.823 -0.106 0.000 0.899 414 V HN 0.244 nan 8.190 nan 0.000 0.440 415 V N 0.556 120.265 119.914 -0.341 0.000 2.379 415 V HA 0.062 4.182 4.120 -0.000 0.000 0.243 415 V C 2.517 178.377 176.094 -0.389 0.000 1.035 415 V CA 2.209 64.149 62.300 -0.600 0.000 1.035 415 V CB -0.790 30.404 31.823 -1.047 0.000 0.673 415 V HN 0.535 nan 8.190 nan 0.000 0.457 416 G N 1.554 110.198 108.800 -0.260 0.000 2.434 416 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.214 416 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.214 416 G C 0.727 175.571 174.900 -0.094 0.000 1.202 416 G CA 1.055 46.067 45.100 -0.147 0.000 0.788 416 G HN 0.529 nan 8.290 nan 0.000 0.539 417 I N 0.743 121.265 120.570 -0.081 0.000 3.138 417 I HA 0.365 4.535 4.170 -0.000 0.000 0.288 417 I C -1.926 174.165 176.117 -0.044 0.000 1.148 417 I CA -3.339 57.933 61.300 -0.047 0.000 1.315 417 I CB -0.536 37.446 38.000 -0.030 0.000 1.426 417 I HN 0.006 nan 8.210 nan 0.000 0.615 418 P HA 0.166 nan 4.420 nan 0.000 0.276 418 P C 0.800 178.092 177.300 -0.013 0.000 1.261 418 P CA -0.470 62.620 63.100 -0.016 0.000 0.800 418 P CB 0.966 32.662 31.700 -0.007 0.000 1.066 419 V N 0.200 120.109 119.914 -0.008 0.000 2.490 419 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 419 V C 2.483 178.579 176.094 0.003 0.000 1.061 419 V CA 2.430 64.728 62.300 -0.004 0.000 1.064 419 V CB -1.915 29.909 31.823 0.002 0.000 0.670 419 V HN 0.620 nan 8.190 nan 0.000 0.461 420 T N 0.392 114.949 114.554 0.005 0.000 2.544 420 T HA -0.292 4.058 4.350 -0.000 0.000 0.264 420 T C 2.068 176.776 174.700 0.015 0.000 1.096 420 T CA 2.284 64.389 62.100 0.010 0.000 1.181 420 T CB -0.326 68.547 68.868 0.008 0.000 0.864 420 T HN 0.455 nan 8.240 nan 0.000 0.415 421 R N 0.937 121.445 120.500 0.013 0.000 2.091 421 R HA -0.043 4.297 4.340 -0.000 0.000 0.238 421 R C 2.840 179.156 176.300 0.027 0.000 1.136 421 R CA 1.212 57.326 56.100 0.023 0.000 0.959 421 R CB -0.704 29.606 30.300 0.018 0.000 0.856 421 R HN 0.414 nan 8.270 nan 0.000 0.437 422 A N 0.965 123.790 122.820 0.008 0.000 1.881 422 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 422 A C 2.411 179.998 177.584 0.006 0.000 1.215 422 A CA 2.283 54.317 52.037 -0.005 0.000 0.648 422 A CB -0.939 18.048 19.000 -0.021 0.000 0.832 422 A HN 0.153 nan 8.150 nan 0.000 0.455 423 V N 0.399 120.322 119.914 0.014 0.000 2.343 423 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 423 V C 2.222 178.342 176.094 0.044 0.000 1.051 423 V CA 2.174 64.487 62.300 0.023 0.000 1.036 423 V CB -1.036 30.800 31.823 0.022 0.000 0.654 423 V HN 0.511 nan 8.190 nan 0.000 0.451 424 D N 0.638 121.070 120.400 0.053 0.000 2.154 424 D HA -0.206 4.434 4.640 -0.000 0.000 0.190 424 D C 2.042 178.416 176.300 0.124 0.000 1.003 424 D CA 1.730 55.777 54.000 0.079 0.000 0.849 424 D CB -0.471 40.372 40.800 0.073 0.000 0.942 424 D HN 0.413 nan 8.370 nan 0.000 0.446 425 N N 0.605 119.387 118.700 0.137 0.000 2.018 425 N HA -0.142 4.598 4.740 -0.000 0.000 0.196 425 N C 2.218 177.741 175.510 0.021 0.000 1.043 425 N CA 0.470 53.637 53.050 0.195 0.000 0.856 425 N CB -0.833 37.731 38.487 0.128 0.000 1.042 425 N HN 0.226 nan 8.380 nan 0.000 0.423 426 L N 0.788 122.006 121.223 -0.008 0.000 2.021 426 L HA -0.207 4.133 4.340 -0.000 0.000 0.215 426 L C 2.207 179.158 176.870 0.135 0.000 1.074 426 L CA 1.134 55.997 54.840 0.038 0.000 0.760 426 L CB -0.302 41.776 42.059 0.032 0.000 0.889 426 L HN 0.016 nan 8.230 nan 0.000 0.433 427 V N -0.567 119.410 119.914 0.106 0.000 2.358 427 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 427 V C 2.123 178.292 176.094 0.125 0.000 1.047 427 V CA 1.749 64.110 62.300 0.101 0.000 1.035 427 V CB -0.830 31.036 31.823 0.072 0.000 0.658 427 V HN 0.469 nan 8.190 nan 0.000 0.452 428 N N -0.501 118.303 118.700 0.172 0.000 2.061 428 N HA -0.243 4.497 4.740 -0.000 0.000 0.193 428 N C 1.389 177.062 175.510 0.272 0.000 1.030 428 N CA 1.881 55.073 53.050 0.236 0.000 0.856 428 N CB -0.554 38.156 38.487 0.373 0.000 1.023 428 N HN 0.704 nan 8.380 nan 0.000 0.424 429 W N 2.170 123.481 121.300 0.018 0.000 2.381 429 W HA 0.023 4.683 4.660 -0.000 0.000 0.301 429 W C 2.084 178.634 176.519 0.052 0.000 1.205 429 W CA 1.032 58.351 57.345 -0.043 0.000 1.285 429 W CB -0.074 29.181 29.460 -0.341 0.000 1.133 429 W HN -0.071 nan 8.180 nan 0.000 0.521 430 R N -0.342 120.185 120.500 0.046 0.000 2.115 430 R HA -0.053 4.287 4.340 -0.000 0.000 0.230 430 R C 1.616 177.829 176.300 -0.144 0.000 1.111 430 R CA 1.534 57.576 56.100 -0.097 0.000 0.976 430 R CB -0.917 29.402 30.300 0.033 0.000 0.870 430 R HN 0.175 nan 8.270 nan 0.000 0.445 431 T N -1.655 112.865 114.554 -0.056 0.000 2.960 431 T HA 0.448 4.798 4.350 -0.000 0.000 0.279 431 T C 0.056 174.753 174.700 -0.005 0.000 1.171 431 T CA 0.115 62.183 62.100 -0.054 0.000 0.952 431 T CB 1.106 69.962 68.868 -0.020 0.000 2.127 431 T HN 0.132 nan 8.240 nan 0.000 0.573 432 A N 0.137 122.973 122.820 0.027 0.000 2.637 432 A HA 0.745 5.065 4.320 -0.000 0.000 0.293 432 A C 0.579 178.219 177.584 0.094 0.000 1.216 432 A CA -0.026 52.050 52.037 0.064 0.000 0.956 432 A CB -0.702 18.315 19.000 0.028 0.000 1.174 432 A HN 0.927 nan 8.150 nan 0.000 0.525 433 A N -0.535 122.355 122.820 0.116 0.000 2.371 433 A HA 0.596 4.916 4.320 -0.000 0.000 0.257 433 A C 1.442 179.104 177.584 0.129 0.000 1.089 433 A CA 0.599 52.699 52.037 0.106 0.000 0.794 433 A CB -0.379 18.681 19.000 0.100 0.000 1.029 433 A HN 2.135 nan 8.150 nan 0.000 0.488 434 G N 1.554 110.395 108.800 0.069 0.000 2.591 434 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.298 434 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.298 434 G C 1.324 176.209 174.900 -0.025 0.000 1.195 434 G CA 0.898 46.013 45.100 0.026 0.000 0.989 434 G HN 1.404 nan 8.290 nan 0.000 0.551 435 S N -0.268 115.334 115.700 -0.163 0.000 2.395 435 S HA 0.039 4.509 4.470 -0.000 0.000 0.225 435 S C 1.652 176.109 174.600 -0.239 0.000 1.027 435 S CA 1.947 59.962 58.200 -0.308 0.000 0.965 435 S CB -0.187 62.666 63.200 -0.579 0.000 0.812 435 S HN 0.517 nan 8.310 nan 0.000 0.482 436 Y N 1.764 122.135 120.300 0.118 0.000 2.506 436 Y HA 0.206 4.756 4.550 -0.000 0.000 0.333 436 Y C 2.202 178.197 175.900 0.158 0.000 1.177 436 Y CA -0.215 57.999 58.100 0.190 0.000 1.292 436 Y CB -1.082 37.587 38.460 0.348 0.000 1.124 436 Y HN 0.165 nan 8.280 nan 0.000 0.507 437 T N -0.837 113.819 114.554 0.169 0.000 2.951 437 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 437 T C 1.090 175.850 174.700 0.100 0.000 1.073 437 T CA 2.041 64.209 62.100 0.114 0.000 1.134 437 T CB -0.024 68.882 68.868 0.062 0.000 0.884 437 T HN 0.448 nan 8.240 nan 0.000 0.479 438 D N 1.361 121.824 120.400 0.106 0.000 2.106 438 D HA 0.037 4.677 4.640 -0.000 0.000 0.203 438 D C 0.535 176.916 176.300 0.135 0.000 0.977 438 D CA 0.642 54.699 54.000 0.095 0.000 0.844 438 D CB -0.093 40.753 40.800 0.076 0.000 1.002 438 D HN 0.258 nan 8.370 nan 0.000 0.461 439 N N 1.909 120.734 118.700 0.208 0.000 2.558 439 N HA 0.164 4.904 4.740 -0.000 0.000 0.233 439 N C -0.911 174.841 175.510 0.403 0.000 1.038 439 N CA -0.143 53.080 53.050 0.287 0.000 0.934 439 N CB 0.387 39.063 38.487 0.316 0.000 1.175 439 N HN 0.388 nan 8.380 nan 0.000 0.512 440 N N 0.145 118.970 118.700 0.207 0.000 2.312 440 N HA 0.336 5.075 4.740 -0.000 0.000 0.296 440 N C -0.945 174.404 175.510 -0.268 0.000 1.193 440 N CA -0.605 52.418 53.050 -0.046 0.000 0.773 440 N CB 1.448 39.915 38.487 -0.033 0.000 1.435 440 N HN 0.098 nan 8.380 nan 0.000 0.484 441 F N 0.850 120.194 119.950 -1.009 0.000 2.772 441 F HA 0.312 4.839 4.527 -0.000 0.000 0.302 441 F C 0.362 175.824 175.800 -0.563 0.000 1.136 441 F CA -0.968 56.469 58.000 -0.938 0.000 1.322 441 F CB -0.554 37.302 39.000 -1.908 0.000 0.967 441 F HN 0.474 nan 8.300 nan 0.000 0.513 442 N N 3.277 121.699 118.700 -0.462 0.000 3.027 442 N HA 0.060 4.800 4.740 -0.000 0.000 0.309 442 N C -0.239 175.040 175.510 -0.385 0.000 1.222 442 N CA 0.256 53.082 53.050 -0.373 0.000 1.187 442 N CB -0.665 37.696 38.487 -0.212 0.000 1.458 442 N HN 0.583 nan 8.380 nan 0.000 0.535 443 I N -2.655 117.570 120.570 -0.576 0.000 3.170 443 I HA 0.620 4.790 4.170 -0.000 0.000 0.312 443 I C -0.374 175.504 176.117 -0.397 0.000 1.085 443 I CA -1.015 60.011 61.300 -0.456 0.000 0.999 443 I CB 2.028 39.711 38.000 -0.530 0.000 1.233 443 I HN -0.039 nan 8.210 nan 0.000 0.467 444 S N 1.939 117.481 115.700 -0.264 0.000 2.488 444 S HA 0.311 4.781 4.470 -0.000 0.000 0.151 444 S C -0.860 173.669 174.600 -0.119 0.000 1.401 444 S CA -0.373 57.716 58.200 -0.186 0.000 1.221 444 S CB 0.245 63.361 63.200 -0.140 0.000 1.407 444 S HN 0.835 nan 8.310 nan 0.000 0.406 445 S N 1.560 117.197 115.700 -0.104 0.000 2.565 445 S HA 0.468 4.938 4.470 -0.000 0.000 0.290 445 S C 1.532 176.131 174.600 -0.002 0.000 1.150 445 S CA 0.197 58.386 58.200 -0.017 0.000 1.058 445 S CB 1.394 64.601 63.200 0.012 0.000 1.032 445 S HN 0.792 nan 8.310 nan 0.000 0.510 446 T N 2.290 116.858 114.554 0.023 0.000 3.072 446 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 446 T C 0.828 175.386 174.700 -0.236 0.000 1.127 446 T CA 0.902 62.933 62.100 -0.114 0.000 1.107 446 T CB -0.473 68.288 68.868 -0.179 0.000 0.910 446 T HN 0.723 nan 8.240 nan 0.000 0.513 447 Y N 1.337 121.593 120.300 -0.074 0.000 2.462 447 Y HA 0.623 5.173 4.550 -0.000 0.000 0.261 447 Y C 1.535 177.387 175.900 -0.080 0.000 1.146 447 Y CA -0.723 57.328 58.100 -0.082 0.000 1.283 447 Y CB 0.022 38.414 38.460 -0.113 0.000 1.090 447 Y HN 0.319 nan 8.280 nan 0.000 0.526 448 A N 1.170 124.022 122.820 0.054 0.000 2.302 448 A HA 0.714 5.033 4.320 -0.000 0.000 0.295 448 A C -0.027 177.576 177.584 0.033 0.000 1.235 448 A CA -0.110 51.948 52.037 0.036 0.000 0.876 448 A CB -0.342 18.656 19.000 -0.003 0.000 1.133 448 A HN 0.230 nan 8.150 nan 0.000 0.533 449 A N 3.171 126.019 122.820 0.048 0.000 2.331 449 A HA 0.719 5.039 4.320 -0.000 0.000 0.320 449 A C -0.448 177.177 177.584 0.068 0.000 1.138 449 A CA -0.478 51.579 52.037 0.034 0.000 0.790 449 A CB 0.712 19.716 19.000 0.008 0.000 1.206 449 A HN 1.218 nan 8.150 nan 0.000 0.470 450 I N 1.808 122.421 120.570 0.072 0.000 2.498 450 I HA 0.501 4.671 4.170 -0.000 0.000 0.290 450 I C -1.358 174.778 176.117 0.032 0.000 1.032 450 I CA -0.500 60.855 61.300 0.092 0.000 1.073 450 I CB 1.845 39.954 38.000 0.181 0.000 1.251 450 I HN 0.799 nan 8.210 nan 0.000 0.426 451 D N 3.900 124.291 120.400 -0.015 0.000 2.326 451 D HA 0.554 5.194 4.640 -0.000 0.000 0.248 451 D C 0.867 177.134 176.300 -0.055 0.000 1.001 451 D CA -0.045 53.931 54.000 -0.040 0.000 0.961 451 D CB 2.186 42.944 40.800 -0.070 0.000 1.183 451 D HN 0.616 nan 8.370 nan 0.000 0.502 452 G N 1.454 110.227 108.800 -0.045 0.000 2.605 452 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.215 452 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.215 452 G C 0.537 175.395 174.900 -0.070 0.000 1.279 452 G CA 0.842 45.922 45.100 -0.035 0.000 0.831 452 G HN 0.751 nan 8.290 nan 0.000 0.560 453 N N -2.660 116.001 118.700 -0.066 0.000 3.312 453 N HA 0.479 5.219 4.740 -0.000 0.000 0.361 453 N C -1.437 174.021 175.510 -0.087 0.000 1.476 453 N CA -0.883 52.135 53.050 -0.053 0.000 0.669 453 N CB 1.018 39.519 38.487 0.024 0.000 1.629 453 N HN 0.227 nan 8.380 nan 0.000 0.612 454 Y N -0.268 120.046 120.300 0.022 0.000 2.462 454 Y HA 0.326 4.876 4.550 -0.000 0.000 0.346 454 Y C -0.297 175.841 175.900 0.397 0.000 0.976 454 Y CA -0.999 57.171 58.100 0.116 0.000 1.044 454 Y CB 2.147 40.591 38.460 -0.026 0.000 1.230 454 Y HN 0.392 nan 8.280 nan 0.000 0.455 455 K N 3.083 123.889 120.400 0.676 0.000 2.118 455 K HA 0.233 4.552 4.320 -0.000 0.000 0.267 455 K C -1.980 174.911 176.600 0.485 0.000 0.991 455 K CA -0.478 56.114 56.287 0.508 0.000 0.916 455 K CB 0.958 33.632 32.500 0.290 0.000 1.041 455 K HN 0.731 nan 8.250 nan 0.000 0.455 456 Y N 2.721 122.969 120.300 -0.088 0.000 2.328 456 Y HA 0.221 4.771 4.550 -0.000 0.000 0.337 456 Y C -0.481 175.274 175.900 -0.242 0.000 0.966 456 Y CA -0.233 57.491 58.100 -0.628 0.000 1.136 456 Y CB 1.513 39.194 38.460 -1.299 0.000 1.170 456 Y HN 0.721 nan 8.280 nan 0.000 0.470 457 Q N 3.893 123.437 119.800 -0.428 0.000 2.495 457 Q HA 0.399 4.739 4.340 -0.000 0.000 0.283 457 Q C -1.951 173.884 176.000 -0.275 0.000 1.097 457 Q CA -1.143 54.542 55.803 -0.196 0.000 0.836 457 Q CB 2.290 30.995 28.738 -0.055 0.000 1.426 457 Q HN 0.738 nan 8.270 nan 0.000 0.459 458 Y N 0.667 120.839 120.300 -0.213 0.000 2.377 458 Y HA 0.359 4.909 4.550 -0.000 0.000 0.339 458 Y C -1.245 174.585 175.900 -0.116 0.000 1.011 458 Y CA -0.820 57.165 58.100 -0.191 0.000 1.093 458 Y CB 1.697 40.078 38.460 -0.131 0.000 1.201 458 Y HN 0.548 nan 8.280 nan 0.000 0.455 459 D N 6.407 126.292 120.400 -0.857 0.000 2.493 459 D HA 0.079 4.719 4.640 -0.000 0.000 0.235 459 D C 0.726 176.525 176.300 -0.835 0.000 1.117 459 D CA -0.353 53.292 54.000 -0.591 0.000 0.930 459 D CB 0.747 41.345 40.800 -0.336 0.000 1.010 459 D HN 0.836 nan 8.370 nan 0.000 0.514 460 K N 2.381 122.386 120.400 -0.657 0.000 2.362 460 K HA -0.221 4.099 4.320 -0.000 0.000 0.202 460 K C 0.371 176.703 176.600 -0.446 0.000 1.045 460 K CA 1.058 57.083 56.287 -0.436 0.000 0.936 460 K CB -0.149 32.231 32.500 -0.199 0.000 0.747 460 K HN 0.349 nan 8.250 nan 0.000 0.467 461 Y N 1.677 121.827 120.300 -0.249 0.000 2.186 461 Y HA 0.044 4.594 4.550 -0.000 0.000 0.286 461 Y C 2.233 178.016 175.900 -0.196 0.000 1.109 461 Y CA 0.976 58.949 58.100 -0.212 0.000 1.099 461 Y CB -0.461 37.819 38.460 -0.300 0.000 1.030 461 Y HN 0.082 nan 8.280 nan 0.000 0.495 462 N N 0.227 118.893 118.700 -0.056 0.000 2.512 462 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 462 N C -0.190 175.247 175.510 -0.123 0.000 1.073 462 N CA 1.546 54.543 53.050 -0.088 0.000 0.911 462 N CB -0.343 38.085 38.487 -0.098 0.000 0.964 462 N HN 0.321 nan 8.380 nan 0.000 0.447 463 D N -0.341 119.925 120.400 -0.224 0.000 2.739 463 D HA -0.143 4.497 4.640 -0.000 0.000 0.240 463 D C -1.389 174.802 176.300 -0.181 0.000 1.114 463 D CA 0.301 54.169 54.000 -0.221 0.000 0.695 463 D CB -1.071 39.702 40.800 -0.045 0.000 1.078 463 D HN -0.048 nan 8.370 nan 0.000 0.434 464 V N 0.158 119.885 119.914 -0.311 0.000 3.049 464 V HA 0.541 4.660 4.120 -0.000 0.000 0.309 464 V C 0.297 176.239 176.094 -0.253 0.000 1.148 464 V CA -1.298 60.894 62.300 -0.181 0.000 0.990 464 V CB 2.163 33.910 31.823 -0.127 0.000 1.039 464 V HN 0.148 nan 8.190 nan 0.000 0.430 465 N N 3.050 121.647 118.700 -0.172 0.000 2.514 465 N HA 0.527 5.267 4.740 -0.000 0.000 0.277 465 N C -0.377 174.806 175.510 -0.545 0.000 1.126 465 N CA -0.212 52.602 53.050 -0.393 0.000 0.978 465 N CB 1.413 39.720 38.487 -0.300 0.000 1.106 465 N HN 0.744 nan 8.380 nan 0.000 0.461 466 R N 1.487 121.509 120.500 -0.796 0.000 2.626 466 R HA 0.265 4.605 4.340 -0.000 0.000 0.274 466 R C -1.521 174.482 176.300 -0.494 0.000 1.031 466 R CA -0.670 55.149 56.100 -0.469 0.000 0.898 466 R CB 1.126 31.285 30.300 -0.236 0.000 1.222 466 R HN 0.467 nan 8.270 nan 0.000 0.455 467 W N 4.223 125.451 121.300 -0.120 0.000 2.322 467 W HA 0.388 5.048 4.660 -0.000 0.000 0.307 467 W C 0.107 176.570 176.519 -0.093 0.000 1.220 467 W CA -0.282 57.032 57.345 -0.052 0.000 1.210 467 W CB 1.644 31.046 29.460 -0.098 0.000 1.223 467 W HN 0.313 nan 8.180 nan 0.000 0.511 468 V N 2.079 122.178 119.914 0.307 0.000 2.876 468 V HA 0.638 4.758 4.120 -0.000 0.000 0.312 468 V C -2.455 174.011 176.094 0.619 0.000 1.085 468 V CA -3.517 58.964 62.300 0.301 0.000 0.945 468 V CB 1.789 33.721 31.823 0.182 0.000 1.017 468 V HN 0.317 nan 8.190 nan 0.000 0.428 469 P HA 0.023 nan 4.420 nan 0.000 0.264 469 P C 0.357 177.690 177.300 0.055 0.000 1.193 469 P CA 0.102 63.341 63.100 0.232 0.000 0.763 469 P CB 1.151 32.910 31.700 0.098 0.000 0.810 470 L N 4.708 125.872 121.223 -0.098 0.000 2.240 470 L HA -0.024 4.316 4.340 -0.000 0.000 0.211 470 L C 2.445 179.305 176.870 -0.017 0.000 1.106 470 L CA 1.709 56.548 54.840 -0.002 0.000 0.793 470 L CB -1.698 40.355 42.059 -0.011 0.000 0.927 470 L HN 0.434 nan 8.230 nan 0.000 0.446 471 A N 0.032 122.809 122.820 -0.072 0.000 1.884 471 A HA -0.287 4.032 4.320 -0.000 0.000 0.219 471 A C 2.512 180.106 177.584 0.016 0.000 1.197 471 A CA 2.349 54.362 52.037 -0.041 0.000 0.637 471 A CB -1.287 17.674 19.000 -0.065 0.000 0.827 471 A HN 0.538 nan 8.150 nan 0.000 0.450 472 A N -0.662 122.182 122.820 0.040 0.000 1.971 472 A HA -0.318 4.002 4.320 -0.000 0.000 0.222 472 A C 1.959 179.647 177.584 0.173 0.000 1.182 472 A CA 2.396 54.490 52.037 0.096 0.000 0.649 472 A CB -0.647 18.413 19.000 0.101 0.000 0.818 472 A HN 0.636 nan 8.150 nan 0.000 0.458 473 D N 0.002 120.477 120.400 0.124 0.000 2.106 473 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 473 D C 2.059 178.299 176.300 -0.100 0.000 0.977 473 D CA 1.528 55.591 54.000 0.106 0.000 0.844 473 D CB -0.308 40.565 40.800 0.123 0.000 1.002 473 D HN 0.579 nan 8.370 nan 0.000 0.461 474 I N -0.661 119.856 120.570 -0.088 0.000 2.399 474 I HA -0.227 3.943 4.170 -0.000 0.000 0.254 474 I C 2.232 178.275 176.117 -0.124 0.000 1.146 474 I CA 1.605 62.819 61.300 -0.143 0.000 1.412 474 I CB -0.437 37.520 38.000 -0.072 0.000 1.076 474 I HN -0.099 nan 8.210 nan 0.000 0.432 475 A N 1.928 124.745 122.820 -0.004 0.000 1.902 475 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 475 A C 2.428 180.089 177.584 0.128 0.000 1.181 475 A CA 1.763 53.858 52.037 0.096 0.000 0.623 475 A CB -1.546 17.556 19.000 0.170 0.000 0.818 475 A HN 0.557 nan 8.150 nan 0.000 0.443 476 G N -0.691 108.142 108.800 0.056 0.000 2.422 476 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.218 476 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.218 476 G C 1.330 175.947 174.900 -0.471 0.000 1.140 476 G CA 0.952 45.834 45.100 -0.363 0.000 0.775 476 G HN 0.420 nan 8.290 nan 0.000 0.545 477 L N 0.339 121.128 121.223 -0.724 0.000 2.456 477 L HA 0.092 4.432 4.340 -0.000 0.000 0.224 477 L C 2.299 179.035 176.870 -0.223 0.000 1.148 477 L CA 0.772 55.262 54.840 -0.583 0.000 0.825 477 L CB -0.324 41.419 42.059 -0.526 0.000 0.937 477 L HN 0.256 nan 8.230 nan 0.000 0.450 478 C N -2.169 117.046 119.300 -0.141 0.000 2.524 478 C HA 0.210 4.669 4.460 -0.000 0.000 0.284 478 C C 2.838 177.817 174.990 -0.019 0.000 1.346 478 C CA 0.177 59.165 59.018 -0.051 0.000 1.739 478 C CB -0.954 26.779 27.740 -0.011 0.000 2.119 478 C HN 0.623 nan 8.230 nan 0.000 0.501 479 A N 0.434 123.251 122.820 -0.004 0.000 2.093 479 A HA -0.253 4.067 4.320 -0.000 0.000 0.222 479 A C 2.181 179.766 177.584 0.002 0.000 1.162 479 A CA 1.782 53.831 52.037 0.020 0.000 0.655 479 A CB -0.513 18.503 19.000 0.026 0.000 0.805 479 A HN 0.692 nan 8.150 nan 0.000 0.461 480 R N -2.202 118.289 120.500 -0.016 0.000 2.146 480 R HA 0.013 4.352 4.340 -0.000 0.000 0.206 480 R C 2.127 178.426 176.300 -0.003 0.000 1.049 480 R CA 1.071 57.172 56.100 0.002 0.000 1.029 480 R CB -0.203 30.116 30.300 0.031 0.000 0.949 480 R HN 0.470 nan 8.270 nan 0.000 0.471 481 T N 1.155 115.697 114.554 -0.020 0.000 2.759 481 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 481 T C 0.069 174.766 174.700 -0.005 0.000 1.042 481 T CA 1.089 63.179 62.100 -0.016 0.000 1.140 481 T CB -0.293 68.558 68.868 -0.028 0.000 0.864 481 T HN 0.174 nan 8.240 nan 0.000 0.455 482 D N 2.889 123.290 120.400 0.001 0.000 2.451 482 D HA 0.043 4.682 4.640 -0.000 0.000 0.254 482 D C 0.271 176.575 176.300 0.008 0.000 1.204 482 D CA 0.136 54.142 54.000 0.009 0.000 0.896 482 D CB -0.009 40.803 40.800 0.020 0.000 1.136 482 D HN 0.127 nan 8.370 nan 0.000 0.499 483 N N 1.007 119.711 118.700 0.007 0.000 2.353 483 N HA 0.096 4.836 4.740 -0.000 0.000 0.248 483 N C -0.214 175.301 175.510 0.008 0.000 1.240 483 N CA 0.308 53.361 53.050 0.006 0.000 0.862 483 N CB 0.693 39.184 38.487 0.005 0.000 1.086 483 N HN 0.102 nan 8.380 nan 0.000 0.453 497 G N 2.681 111.480 108.800 -0.001 0.000 2.227 497 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.250 497 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.250 497 G C -0.213 174.703 174.900 0.025 0.000 0.910 497 G CA 0.116 45.221 45.100 0.009 0.000 0.922 497 G HN 0.585 nan 8.290 nan 0.000 0.385 498 Q N 0.260 120.091 119.800 0.050 0.000 2.333 498 Q HA -0.004 4.336 4.340 -0.000 0.000 0.299 498 Q C 1.180 177.246 176.000 0.110 0.000 1.067 498 Q CA 0.064 55.909 55.803 0.069 0.000 0.943 498 Q CB 0.741 29.516 28.738 0.062 0.000 1.233 498 Q HN 0.634 nan 8.270 nan 0.000 0.401 499 I N 0.025 120.661 120.570 0.110 0.000 2.764 499 I HA 0.345 4.515 4.170 -0.000 0.000 0.294 499 I C -0.557 175.675 176.117 0.191 0.000 1.045 499 I CA -0.246 61.161 61.300 0.179 0.000 1.340 499 I CB 0.246 38.322 38.000 0.127 0.000 1.436 499 I HN 0.482 nan 8.210 nan 0.000 0.567 500 L N 5.308 126.679 121.223 0.247 0.000 2.362 500 L HA 0.389 4.729 4.340 -0.000 0.000 0.275 500 L C 0.025 176.933 176.870 0.063 0.000 0.998 500 L CA -0.349 54.540 54.840 0.082 0.000 0.820 500 L CB 1.416 43.416 42.059 -0.097 0.000 1.270 500 L HN 0.916 nan 8.230 nan 0.000 0.415 501 N N 0.530 119.251 118.700 0.035 0.000 2.967 501 N HA -0.168 4.572 4.740 -0.000 0.000 0.212 501 N C 0.013 175.559 175.510 0.060 0.000 0.884 501 N CA 0.503 53.581 53.050 0.047 0.000 1.030 501 N CB -1.483 37.032 38.487 0.048 0.000 1.018 501 N HN 0.264 nan 8.380 nan 0.000 0.596 502 V N 2.397 122.356 119.914 0.076 0.000 2.999 502 V HA 0.089 4.209 4.120 -0.000 0.000 0.307 502 V C 2.142 178.274 176.094 0.064 0.000 1.084 502 V CA 0.887 63.235 62.300 0.081 0.000 1.155 502 V CB 0.894 32.776 31.823 0.098 0.000 0.975 502 V HN 0.441 nan 8.190 nan 0.000 0.490 503 I N 0.601 121.218 120.570 0.078 0.000 3.570 503 I HA 0.473 4.643 4.170 -0.000 0.000 0.270 503 I C 0.667 176.832 176.117 0.082 0.000 1.162 503 I CA 0.220 61.569 61.300 0.082 0.000 1.413 503 I CB 0.469 38.523 38.000 0.090 0.000 1.437 503 I HN 0.507 nan 8.210 nan 0.000 0.457 504 K N 1.019 121.480 120.400 0.102 0.000 2.536 504 K HA 0.691 5.011 4.320 -0.000 0.000 0.269 504 K C -1.855 174.859 176.600 0.190 0.000 0.965 504 K CA -0.727 55.611 56.287 0.086 0.000 0.860 504 K CB 2.860 35.326 32.500 -0.056 0.000 1.423 504 K HN 0.225 nan 8.250 nan 0.000 0.438 505 L N 1.902 123.271 121.223 0.243 0.000 2.370 505 L HA 0.495 4.835 4.340 -0.000 0.000 0.266 505 L C 1.057 178.129 176.870 0.336 0.000 1.002 505 L CA -0.747 54.315 54.840 0.369 0.000 0.818 505 L CB 1.872 44.057 42.059 0.211 0.000 1.325 505 L HN 0.915 nan 8.230 nan 0.000 0.418 506 A N 3.260 126.264 122.820 0.306 0.000 1.927 506 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 506 A C 0.940 178.555 177.584 0.052 0.000 1.185 506 A CA 1.379 53.455 52.037 0.065 0.000 0.639 506 A CB -0.827 18.102 19.000 -0.119 0.000 0.820 506 A HN 0.586 nan 8.150 nan 0.000 0.451 507 I N -2.654 117.951 120.570 0.058 0.000 2.312 507 I HA 0.483 4.653 4.170 -0.000 0.000 0.290 507 I C -0.055 176.096 176.117 0.056 0.000 1.008 507 I CA -0.505 60.820 61.300 0.041 0.000 1.226 507 I CB 0.686 38.700 38.000 0.023 0.000 1.371 507 I HN 0.381 nan 8.210 nan 0.000 0.468 508 E N 2.125 122.354 120.200 0.049 0.000 8.281 508 E HA -0.240 4.110 4.350 -0.000 0.000 0.174 508 E C -0.282 176.359 176.600 0.069 0.000 1.453 508 E CA 0.984 57.414 56.400 0.050 0.000 2.520 508 E CB -0.358 29.367 29.700 0.043 0.000 1.431 508 E HN 0.887 nan 8.360 nan 0.000 0.461 509 T N 0.723 115.313 114.554 0.059 0.000 3.579 509 T HA 0.443 4.793 4.350 -0.000 0.000 0.360 509 T C -2.873 171.853 174.700 0.044 0.000 1.285 509 T CA -0.848 61.285 62.100 0.056 0.000 1.127 509 T CB 1.337 70.229 68.868 0.040 0.000 1.244 509 T HN 0.398 nan 8.240 nan 0.000 0.476 510 P HA 0.000 nan 4.420 nan 0.000 0.216 510 P CA 0.000 63.121 63.100 0.035 0.000 0.800 510 P CB 0.000 31.725 31.700 0.042 0.000 0.726