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 1h7k_1_A DATA FIRST_RESID 4 DATA SEQUENCE KKLTTAAGAP VVDNNNVITA GPRGPMLLQD VWFLEKLAHF DREVIPERRX DATA SEQUENCE HAKGSGAFGT FTVTHDITKY TRAKIFSEVG KKTEMFARFS TVAGERGAAD DATA SEQUENCE AERDIRGFAL KFYTEEGNWD MVGNNTPVFY LRDPLKFPDL NHIVKRDPRT DATA SEQUENCE NMRNMAYKWD FFSHLPESLH QLTIDMSDRG LPLSYRFVHG FGSHTYSFIN DATA SEQUENCE KDNERFWVKF HYRCQQGIKN LMDDEAEALV GKDRESSQRD LFEAIERGDY DATA SEQUENCE PRWKLQIQIM PEKEASTVPY NPFDLTKVWP HADYPLMDVG YFELNRNPDN DATA SEQUENCE YFSDVEQAAF SPANIVPGIS FSPDKMLQGR LFSYGDAHRY RLGVNHHQIP DATA SEQUENCE VNAPKCPFHN YHRDGAMRVD GNSGNGITYE PNSGGVFQEQ PDFKEPPLSI DATA SEQUENCE EGAADHWNHR EDEDYFSQPR ALYELLSDDE HQRMFARIAG ELSQASKETQ DATA SEQUENCE QRQIDLFTKV HPEYGAGVEK AIKVLE 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.584 176.600 -0.027 0.000 0.988 4 K CA 0.000 56.277 56.287 -0.016 0.000 0.838 4 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 5 K N 2.189 122.566 120.400 -0.037 0.000 2.240 5 K HA 0.280 4.600 4.320 -0.001 0.000 0.271 5 K C -0.779 175.773 176.600 -0.080 0.000 1.018 5 K CA -0.762 55.490 56.287 -0.057 0.000 0.874 5 K CB 1.831 34.297 32.500 -0.057 0.000 1.098 5 K HN 0.057 nan 8.250 nan 0.000 0.458 6 L N 3.520 124.679 121.223 -0.108 0.000 2.499 6 L HA 0.066 4.406 4.340 -0.001 0.000 0.273 6 L C -0.110 176.620 176.870 -0.234 0.000 1.195 6 L CA 1.177 55.918 54.840 -0.165 0.000 0.882 6 L CB 0.262 42.202 42.059 -0.199 0.000 1.133 6 L HN 0.826 nan 8.230 nan 0.000 0.483 7 T N 0.553 114.972 114.554 -0.226 0.000 2.883 7 T HA 0.661 5.010 4.350 -0.001 0.000 0.296 7 T C 0.075 174.641 174.700 -0.224 0.000 1.117 7 T CA -0.213 61.752 62.100 -0.225 0.000 1.006 7 T CB 1.141 69.939 68.868 -0.116 0.000 1.191 7 T HN 0.822 nan 8.240 nan 0.000 0.508 8 T N -0.638 113.818 114.554 -0.164 0.000 2.726 8 T HA 0.524 4.874 4.350 -0.001 0.000 0.294 8 T C 1.839 176.565 174.700 0.042 0.000 1.013 8 T CA -0.228 61.885 62.100 0.021 0.000 0.996 8 T CB 0.152 69.069 68.868 0.081 0.000 1.016 8 T HN 1.102 nan 8.240 nan 0.000 0.529 9 A N 0.325 123.193 122.820 0.079 0.000 2.125 9 A HA 0.289 4.609 4.320 -0.001 0.000 0.219 9 A C 2.352 179.959 177.584 0.039 0.000 1.156 9 A CA 1.263 53.322 52.037 0.036 0.000 0.671 9 A CB -1.226 17.790 19.000 0.027 0.000 0.794 9 A HN 1.205 nan 8.150 nan 0.000 0.459 10 A N -2.159 120.688 122.820 0.046 0.000 2.275 10 A HA 0.447 4.767 4.320 -0.001 0.000 0.212 10 A C 1.682 179.274 177.584 0.014 0.000 1.201 10 A CA 1.086 53.143 52.037 0.034 0.000 0.843 10 A CB -0.595 18.430 19.000 0.043 0.000 0.873 10 A HN 1.742 nan 8.150 nan 0.000 0.492 11 G N -1.929 106.871 108.800 0.001 0.000 2.176 11 G HA2 0.102 4.062 3.960 -0.001 0.000 0.232 11 G HA3 0.102 4.062 3.960 -0.001 0.000 0.232 11 G C 0.429 175.310 174.900 -0.031 0.000 0.986 11 G CA 0.135 45.225 45.100 -0.016 0.000 0.643 11 G HN 1.552 nan 8.290 nan 0.000 0.522 12 A N 1.549 124.350 122.820 -0.032 0.000 2.354 12 A HA 0.723 5.043 4.320 -0.001 0.000 0.269 12 A C -1.504 176.022 177.584 -0.098 0.000 1.109 12 A CA -0.934 51.075 52.037 -0.047 0.000 0.800 12 A CB 0.591 19.576 19.000 -0.025 0.000 1.045 12 A HN 0.225 nan 8.150 nan 0.000 0.489 13 P HA 0.198 nan 4.420 nan 0.000 0.275 13 P C -0.160 177.011 177.300 -0.214 0.000 1.227 13 P CA 0.072 63.082 63.100 -0.150 0.000 0.781 13 P CB 1.123 32.759 31.700 -0.107 0.000 0.906 14 V N 3.885 123.591 119.914 -0.347 0.000 2.407 14 V HA 0.159 4.278 4.120 -0.001 0.000 0.278 14 V C 1.168 177.083 176.094 -0.297 0.000 1.037 14 V CA -0.126 61.895 62.300 -0.466 0.000 0.900 14 V CB 1.041 32.205 31.823 -1.100 0.000 0.983 14 V HN 0.441 nan 8.190 nan 0.000 0.459 15 V N 1.994 121.797 119.914 -0.186 0.000 2.649 15 V HA 0.280 4.399 4.120 -0.001 0.000 0.248 15 V C 0.652 176.697 176.094 -0.082 0.000 1.054 15 V CA 1.551 63.786 62.300 -0.109 0.000 1.073 15 V CB -0.206 31.581 31.823 -0.059 0.000 0.699 15 V HN 0.963 nan 8.190 nan 0.000 0.463 16 D N 0.118 120.477 120.400 -0.069 0.000 2.788 16 D HA 0.307 4.947 4.640 -0.001 0.000 0.247 16 D C -0.592 175.747 176.300 0.065 0.000 1.236 16 D CA -0.272 53.729 54.000 0.002 0.000 0.898 16 D CB 1.815 42.639 40.800 0.041 0.000 1.401 16 D HN 0.232 nan 8.370 nan 0.000 0.549 17 N N 2.737 121.484 118.700 0.079 0.000 2.204 17 N HA 0.145 4.884 4.740 -0.001 0.000 0.219 17 N C 0.141 175.756 175.510 0.174 0.000 1.151 17 N CA 0.027 53.206 53.050 0.215 0.000 0.867 17 N CB 0.416 38.996 38.487 0.155 0.000 1.043 17 N HN 0.255 nan 8.380 nan 0.000 0.516 18 N N -0.778 117.990 118.700 0.113 0.000 2.557 18 N HA 0.127 4.866 4.740 -0.001 0.000 0.217 18 N C -0.766 174.788 175.510 0.072 0.000 1.062 18 N CA 0.337 53.434 53.050 0.078 0.000 0.863 18 N CB 0.211 38.726 38.487 0.046 0.000 1.390 18 N HN 0.162 nan 8.380 nan 0.000 0.445 19 N N 0.823 119.565 118.700 0.069 0.000 2.342 19 N HA 0.343 5.083 4.740 -0.001 0.000 0.293 19 N C -0.299 175.244 175.510 0.054 0.000 1.026 19 N CA -0.644 52.433 53.050 0.044 0.000 0.857 19 N CB 2.866 41.368 38.487 0.024 0.000 1.256 19 N HN -0.125 nan 8.380 nan 0.000 0.484 20 V N -0.278 119.643 119.914 0.012 0.000 3.214 20 V HA 0.482 4.601 4.120 -0.001 0.000 0.306 20 V C 0.368 176.445 176.094 -0.028 0.000 1.078 20 V CA -0.814 61.473 62.300 -0.022 0.000 1.077 20 V CB 0.489 32.205 31.823 -0.178 0.000 1.121 20 V HN 0.513 nan 8.190 nan 0.000 0.468 21 I N 2.759 123.312 120.570 -0.028 0.000 2.441 21 I HA 0.471 4.640 4.170 -0.001 0.000 0.287 21 I C 0.497 176.585 176.117 -0.049 0.000 1.049 21 I CA 0.227 61.515 61.300 -0.020 0.000 1.381 21 I CB 1.151 39.153 38.000 0.002 0.000 1.409 21 I HN 1.018 nan 8.210 nan 0.000 0.523 22 T N 2.094 116.626 114.554 -0.037 0.000 2.903 22 T HA 0.652 5.002 4.350 -0.001 0.000 0.299 22 T C -0.373 174.312 174.700 -0.026 0.000 1.093 22 T CA -1.006 61.069 62.100 -0.042 0.000 1.002 22 T CB 1.909 70.748 68.868 -0.047 0.000 1.127 22 T HN 0.594 nan 8.240 nan 0.000 0.488 23 A N 1.493 124.298 122.820 -0.025 0.000 2.915 23 A HA 0.705 5.024 4.320 -0.001 0.000 0.292 23 A C 1.174 178.749 177.584 -0.016 0.000 1.632 23 A CA 0.246 52.273 52.037 -0.017 0.000 1.337 23 A CB -1.557 17.434 19.000 -0.016 0.000 1.111 23 A HN 2.222 nan 8.150 nan 0.000 0.569 24 G N 3.141 111.933 108.800 -0.014 0.000 2.690 24 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.686 24 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.686 24 G C -1.279 173.612 174.900 -0.015 0.000 1.277 24 G CA -0.304 44.789 45.100 -0.012 0.000 0.799 24 G HN 0.392 nan 8.290 nan 0.000 0.613 25 P HA -0.137 nan 4.420 nan 0.000 0.216 25 P C 1.050 178.341 177.300 -0.016 0.000 1.150 25 P CA 1.380 64.473 63.100 -0.013 0.000 0.843 25 P CB 0.112 31.806 31.700 -0.009 0.000 0.787 26 R N -0.148 120.343 120.500 -0.015 0.000 2.700 26 R HA 0.371 4.711 4.340 -0.001 0.000 0.377 26 R C 0.902 177.190 176.300 -0.019 0.000 1.130 26 R CA -0.253 55.837 56.100 -0.017 0.000 1.055 26 R CB 0.817 31.110 30.300 -0.013 0.000 1.387 26 R HN 0.151 nan 8.270 nan 0.000 0.580 27 G N 1.618 110.405 108.800 -0.022 0.000 2.491 27 G HA2 0.425 4.384 3.960 -0.001 0.000 0.327 27 G HA3 0.425 4.384 3.960 -0.001 0.000 0.327 27 G C -2.397 172.484 174.900 -0.033 0.000 1.189 27 G CA -1.176 43.910 45.100 -0.024 0.000 0.956 27 G HN -0.096 nan 8.290 nan 0.000 0.491 28 P HA 0.138 nan 4.420 nan 0.000 0.272 28 P C -0.068 177.198 177.300 -0.057 0.000 1.223 28 P CA -0.132 62.943 63.100 -0.043 0.000 0.784 28 P CB 0.830 32.511 31.700 -0.032 0.000 0.923 29 M N 1.285 120.835 119.600 -0.084 0.000 2.248 29 M HA 0.097 4.576 4.480 -0.001 0.000 0.337 29 M C 0.157 176.410 176.300 -0.077 0.000 1.121 29 M CA -0.148 55.084 55.300 -0.114 0.000 1.155 29 M CB 0.001 32.479 32.600 -0.204 0.000 1.514 29 M HN 0.178 nan 8.290 nan 0.000 0.452 30 L N 2.738 123.922 121.223 -0.065 0.000 2.325 30 L HA 0.162 4.502 4.340 -0.001 0.000 0.279 30 L C 0.830 177.690 176.870 -0.016 0.000 1.054 30 L CA 0.159 54.981 54.840 -0.030 0.000 0.804 30 L CB 1.067 43.117 42.059 -0.014 0.000 1.200 30 L HN 0.687 nan 8.230 nan 0.000 0.436 31 L N 2.794 124.021 121.223 0.006 0.000 2.131 31 L HA -0.169 4.171 4.340 -0.001 0.000 0.210 31 L C 1.945 178.847 176.870 0.052 0.000 1.092 31 L CA 1.553 56.412 54.840 0.032 0.000 0.759 31 L CB -0.397 41.680 42.059 0.030 0.000 0.903 31 L HN 0.996 nan 8.230 nan 0.000 0.435 32 Q N -0.878 118.948 119.800 0.042 0.000 2.491 32 Q HA -0.114 4.225 4.340 -0.001 0.000 0.214 32 Q C 0.068 176.115 176.000 0.078 0.000 0.970 32 Q CA 0.193 56.029 55.803 0.055 0.000 0.960 32 Q CB -0.451 28.311 28.738 0.041 0.000 0.996 32 Q HN 0.249 nan 8.270 nan 0.000 0.524 33 D N 1.674 122.129 120.400 0.092 0.000 2.470 33 D HA 0.014 4.653 4.640 -0.001 0.000 0.226 33 D C 1.278 177.697 176.300 0.199 0.000 1.196 33 D CA -0.205 53.878 54.000 0.138 0.000 0.979 33 D CB 1.221 42.087 40.800 0.110 0.000 1.059 33 D HN 0.209 nan 8.370 nan 0.000 0.515 34 V N 2.664 122.686 119.914 0.180 0.000 2.407 34 V HA -0.119 4.000 4.120 -0.001 0.000 0.248 34 V C 2.145 178.380 176.094 0.234 0.000 1.055 34 V CA 0.864 63.272 62.300 0.180 0.000 1.049 34 V CB -1.027 30.885 31.823 0.148 0.000 0.662 34 V HN 0.618 nan 8.190 nan 0.000 0.455 35 W N 0.338 121.688 121.300 0.083 0.000 2.381 35 W HA -0.208 4.452 4.660 -0.001 0.000 0.301 35 W C 2.326 178.891 176.519 0.077 0.000 1.205 35 W CA 1.488 58.870 57.345 0.062 0.000 1.285 35 W CB -0.287 29.204 29.460 0.052 0.000 1.133 35 W HN 0.385 nan 8.180 nan 0.000 0.521 36 F N 1.552 121.437 119.950 -0.108 0.000 2.095 36 F HA -0.266 4.261 4.527 -0.001 0.000 0.298 36 F C 2.080 177.753 175.800 -0.211 0.000 1.104 36 F CA 1.850 59.714 58.000 -0.227 0.000 1.232 36 F CB -0.981 37.972 39.000 -0.078 0.000 0.987 36 F HN -0.237 nan 8.300 nan 0.000 0.475 37 L N 1.026 122.185 121.223 -0.107 0.000 1.989 37 L HA -0.233 4.107 4.340 -0.001 0.000 0.211 37 L C 2.565 179.301 176.870 -0.224 0.000 1.071 37 L CA 2.314 57.062 54.840 -0.153 0.000 0.749 37 L CB -1.538 40.548 42.059 0.044 0.000 0.890 37 L HN 0.410 nan 8.230 nan 0.000 0.431 38 E N -0.338 119.771 120.200 -0.153 0.000 2.051 38 E HA -0.291 4.058 4.350 -0.001 0.000 0.192 38 E C 2.309 178.774 176.600 -0.225 0.000 0.991 38 E CA 1.586 57.938 56.400 -0.080 0.000 0.799 38 E CB -0.088 29.633 29.700 0.033 0.000 0.748 38 E HN 0.390 nan 8.360 nan 0.000 0.449 39 K N -0.000 119.998 120.400 -0.669 0.000 2.002 39 K HA -0.139 4.180 4.320 -0.001 0.000 0.209 39 K C 2.206 178.555 176.600 -0.418 0.000 1.048 39 K CA 1.254 57.084 56.287 -0.761 0.000 0.930 39 K CB -0.044 31.710 32.500 -1.243 0.000 0.714 39 K HN 0.192 nan 8.250 nan 0.000 0.438 40 L N 0.642 121.545 121.223 -0.533 0.000 2.141 40 L HA -0.073 4.267 4.340 -0.001 0.000 0.209 40 L C 2.501 179.299 176.870 -0.120 0.000 1.094 40 L CA 1.654 56.282 54.840 -0.353 0.000 0.763 40 L CB -1.319 40.351 42.059 -0.648 0.000 0.908 40 L HN 0.303 nan 8.230 nan 0.000 0.437 41 A N -1.146 121.579 122.820 -0.157 0.000 1.898 41 A HA -0.213 4.107 4.320 -0.001 0.000 0.216 41 A C 2.136 179.653 177.584 -0.111 0.000 1.181 41 A CA 1.171 53.139 52.037 -0.115 0.000 0.620 41 A CB -0.693 18.233 19.000 -0.123 0.000 0.819 41 A HN 0.441 nan 8.150 nan 0.000 0.442 42 H N -2.338 116.670 119.070 -0.102 0.000 2.357 42 H HA -0.116 4.440 4.556 -0.001 0.000 0.301 42 H C 2.006 177.302 175.328 -0.053 0.000 1.082 42 H CA 1.812 57.814 56.048 -0.077 0.000 1.342 42 H CB -0.328 29.389 29.762 -0.075 0.000 1.389 42 H HN 0.618 nan 8.280 nan 0.000 0.511 43 F N 2.527 122.442 119.950 -0.059 0.000 2.134 43 F HA -0.185 4.342 4.527 -0.001 0.000 0.299 43 F C 1.764 177.507 175.800 -0.095 0.000 1.097 43 F CA 1.319 59.262 58.000 -0.094 0.000 1.264 43 F CB -0.220 38.702 39.000 -0.130 0.000 1.001 43 F HN -0.052 nan 8.300 nan 0.000 0.479 44 D N 0.261 120.544 120.400 -0.194 0.000 2.309 44 D HA -0.114 4.526 4.640 -0.001 0.000 0.212 44 D C 1.542 177.686 176.300 -0.261 0.000 0.968 44 D CA 1.013 54.846 54.000 -0.277 0.000 0.882 44 D CB -0.220 40.511 40.800 -0.117 0.000 0.918 44 D HN 0.437 nan 8.370 nan 0.000 0.503 45 R N 0.006 120.374 120.500 -0.221 0.000 2.577 45 R HA 0.186 4.525 4.340 -0.001 0.000 0.344 45 R C 1.216 177.410 176.300 -0.177 0.000 1.037 45 R CA -0.123 55.869 56.100 -0.180 0.000 1.102 45 R CB 0.585 30.788 30.300 -0.161 0.000 1.313 45 R HN 0.144 nan 8.270 nan 0.000 0.561 46 E N 0.896 120.957 120.200 -0.230 0.000 2.110 46 E HA -0.108 4.242 4.350 -0.001 0.000 0.193 46 E C 0.986 177.451 176.600 -0.225 0.000 0.988 46 E CA 1.185 57.441 56.400 -0.241 0.000 0.804 46 E CB 0.205 29.751 29.700 -0.256 0.000 0.745 46 E HN 0.099 nan 8.360 nan 0.000 0.458 47 V N 0.976 120.795 119.914 -0.159 0.000 2.567 47 V HA 0.395 4.514 4.120 -0.001 0.000 0.289 47 V C -0.072 176.019 176.094 -0.005 0.000 1.049 47 V CA -0.768 61.499 62.300 -0.055 0.000 0.969 47 V CB 0.720 32.513 31.823 -0.051 0.000 0.995 47 V HN 0.141 nan 8.190 nan 0.000 0.471 48 I N 2.491 123.111 120.570 0.083 0.000 2.982 48 I HA 0.796 4.966 4.170 -0.001 0.000 0.312 48 I C -2.504 173.622 176.117 0.016 0.000 1.041 48 I CA -2.810 58.514 61.300 0.041 0.000 1.053 48 I CB 1.414 39.468 38.000 0.089 0.000 1.248 48 I HN 0.389 nan 8.210 nan 0.000 0.471 49 P HA 0.098 nan 4.420 nan 0.000 0.268 49 P C -1.034 176.280 177.300 0.023 0.000 1.205 49 P CA -0.120 62.969 63.100 -0.018 0.000 0.771 49 P CB 0.410 32.054 31.700 -0.093 0.000 0.858 50 E N 2.518 122.751 120.200 0.055 0.000 2.345 50 E HA 0.246 4.596 4.350 -0.001 0.000 0.259 50 E C -0.463 176.182 176.600 0.075 0.000 1.117 50 E CA -0.896 55.546 56.400 0.068 0.000 0.913 50 E CB 0.686 30.433 29.700 0.078 0.000 1.057 50 E HN 0.250 nan 8.360 nan 0.000 0.432 51 R N 1.169 121.717 120.500 0.080 0.000 2.623 51 R HA 0.104 4.444 4.340 -0.001 0.000 0.271 51 R C 0.732 177.089 176.300 0.094 0.000 1.043 51 R CA -0.487 55.666 56.100 0.088 0.000 1.083 51 R CB 0.441 30.804 30.300 0.105 0.000 0.974 51 R HN 0.405 nan 8.270 nan 0.000 0.436 55 A N 1.072 123.990 122.820 0.163 0.000 1.978 55 A HA -0.131 4.189 4.320 -0.001 0.000 0.220 55 A C 1.399 179.075 177.584 0.153 0.000 1.170 55 A CA 1.195 53.314 52.037 0.138 0.000 0.636 55 A CB -0.032 19.033 19.000 0.108 0.000 0.810 55 A HN 0.217 nan 8.150 nan 0.000 0.448 56 K N -0.068 120.428 120.400 0.160 0.000 2.248 56 K HA 0.473 4.793 4.320 -0.001 0.000 0.281 56 K C -0.136 176.598 176.600 0.222 0.000 1.054 56 K CA 0.299 56.696 56.287 0.184 0.000 0.903 56 K CB 0.477 33.074 32.500 0.161 0.000 1.077 56 K HN 0.312 nan 8.250 nan 0.000 0.474 57 G N 1.244 110.193 108.800 0.248 0.000 2.645 57 G HA2 0.451 4.410 3.960 -0.001 0.000 0.292 57 G HA3 0.451 4.410 3.960 -0.001 0.000 0.292 57 G C -1.577 173.495 174.900 0.288 0.000 1.415 57 G CA -0.624 44.607 45.100 0.218 0.000 0.785 57 G HN 0.483 nan 8.290 nan 0.000 0.483 58 S N -1.623 114.175 115.700 0.162 0.000 2.548 58 S HA 0.866 5.336 4.470 -0.001 0.000 0.286 58 S C 0.046 174.607 174.600 -0.064 0.000 1.098 58 S CA -0.184 58.149 58.200 0.221 0.000 0.930 58 S CB 1.920 65.355 63.200 0.392 0.000 1.070 58 S HN 1.254 nan 8.310 nan 0.000 0.480 59 G N 0.310 109.093 108.800 -0.029 0.000 2.630 59 G HA2 0.879 4.839 3.960 -0.001 0.000 0.296 59 G HA3 0.879 4.839 3.960 -0.001 0.000 0.296 59 G C -1.435 173.314 174.900 -0.251 0.000 1.285 59 G CA -0.750 44.132 45.100 -0.363 0.000 0.958 59 G HN 1.085 nan 8.290 nan 0.000 0.479 60 A N -0.557 121.920 122.820 -0.572 0.000 2.582 60 A HA 0.648 4.967 4.320 -0.001 0.000 0.297 60 A C -1.702 175.655 177.584 -0.379 0.000 1.059 60 A CA -0.721 51.161 52.037 -0.258 0.000 0.705 60 A CB 0.681 19.636 19.000 -0.076 0.000 1.279 60 A HN 0.585 nan 8.150 nan 0.000 0.404 61 F N 0.964 120.957 119.950 0.073 0.000 2.377 61 F HA 0.732 5.258 4.527 -0.001 0.000 0.328 61 F C 1.207 177.017 175.800 0.017 0.000 1.094 61 F CA 1.167 59.229 58.000 0.102 0.000 1.093 61 F CB 2.201 41.280 39.000 0.131 0.000 1.214 61 F HN 0.958 nan 8.300 nan 0.000 0.518 62 G N -0.059 108.880 108.800 0.232 0.000 2.753 62 G HA2 0.536 4.495 3.960 -0.001 0.000 0.303 62 G HA3 0.536 4.495 3.960 -0.001 0.000 0.303 62 G C -1.562 173.449 174.900 0.185 0.000 1.242 62 G CA -0.588 44.612 45.100 0.167 0.000 0.810 62 G HN 0.643 nan 8.290 nan 0.000 0.515 63 T N -0.839 113.848 114.554 0.222 0.000 3.041 63 T HA 0.565 4.915 4.350 -0.001 0.000 0.321 63 T C -2.131 172.755 174.700 0.310 0.000 1.184 63 T CA -0.451 61.787 62.100 0.230 0.000 1.050 63 T CB 1.245 70.199 68.868 0.144 0.000 1.159 63 T HN 0.754 nan 8.240 nan 0.000 0.469 64 F N 3.427 123.491 119.950 0.190 0.000 2.443 64 F HA 0.730 5.256 4.527 -0.001 0.000 0.335 64 F C -0.245 175.567 175.800 0.020 0.000 1.104 64 F CA -0.203 57.914 58.000 0.196 0.000 1.013 64 F CB 1.841 41.068 39.000 0.379 0.000 1.136 64 F HN 0.513 nan 8.300 nan 0.000 0.470 65 T N 5.545 119.478 114.554 -1.036 0.000 2.841 65 T HA 0.401 4.751 4.350 -0.001 0.000 0.285 65 T C -0.928 173.273 174.700 -0.831 0.000 0.991 65 T CA -0.589 61.058 62.100 -0.755 0.000 0.966 65 T CB 1.470 69.961 68.868 -0.629 0.000 0.962 65 T HN 0.370 nan 8.240 nan 0.000 0.438 66 V N 4.016 123.736 119.914 -0.324 0.000 2.508 66 V HA 0.243 4.363 4.120 -0.001 0.000 0.281 66 V C 1.628 177.732 176.094 0.016 0.000 1.041 66 V CA 0.180 62.464 62.300 -0.027 0.000 1.016 66 V CB 0.875 32.820 31.823 0.205 0.000 0.984 66 V HN 1.176 nan 8.190 nan 0.000 0.478 67 T N 0.500 115.114 114.554 0.100 0.000 2.971 67 T HA 0.248 4.597 4.350 -0.001 0.000 0.252 67 T C 0.377 174.959 174.700 -0.196 0.000 1.022 67 T CA 0.155 62.274 62.100 0.031 0.000 0.980 67 T CB 0.055 69.016 68.868 0.155 0.000 1.044 67 T HN 0.663 nan 8.240 nan 0.000 0.501 68 H N 0.379 119.503 119.070 0.089 0.000 2.895 68 H HA 0.557 5.112 4.556 -0.001 0.000 0.373 68 H C -1.397 173.968 175.328 0.062 0.000 1.174 68 H CA -0.948 55.141 56.048 0.068 0.000 1.144 68 H CB 1.513 31.314 29.762 0.064 0.000 1.793 68 H HN 0.055 nan 8.280 nan 0.000 0.551 69 D N 2.512 123.000 120.400 0.147 0.000 2.316 69 D HA 0.108 4.747 4.640 -0.001 0.000 0.245 69 D C 0.374 176.698 176.300 0.040 0.000 1.171 69 D CA -0.151 53.894 54.000 0.075 0.000 0.856 69 D CB 0.658 41.477 40.800 0.031 0.000 1.090 69 D HN 0.668 nan 8.370 nan 0.000 0.476 70 I N 0.986 121.563 120.570 0.011 0.000 3.707 70 I HA 0.147 4.316 4.170 -0.001 0.000 0.330 70 I C 0.992 177.037 176.117 -0.119 0.000 1.572 70 I CA -0.550 60.732 61.300 -0.030 0.000 1.104 70 I CB 0.493 38.498 38.000 0.009 0.000 1.240 70 I HN 0.006 nan 8.210 nan 0.000 0.475 71 T N 1.812 116.303 114.554 -0.104 0.000 2.849 71 T HA -0.183 4.167 4.350 -0.001 0.000 0.270 71 T C 1.750 176.344 174.700 -0.178 0.000 1.066 71 T CA 2.235 64.271 62.100 -0.106 0.000 1.130 71 T CB -0.244 68.589 68.868 -0.058 0.000 0.864 71 T HN 0.688 nan 8.240 nan 0.000 0.481 72 K N 0.006 120.215 120.400 -0.319 0.000 2.362 72 K HA -0.074 4.245 4.320 -0.001 0.000 0.200 72 K C 1.252 177.549 176.600 -0.505 0.000 1.046 72 K CA 1.277 57.312 56.287 -0.420 0.000 0.952 72 K CB -0.233 31.921 32.500 -0.576 0.000 0.753 72 K HN 0.336 nan 8.250 nan 0.000 0.466 73 Y N 0.565 120.689 120.300 -0.294 0.000 2.559 73 Y HA 0.216 4.766 4.550 -0.001 0.000 0.279 73 Y C 0.807 176.565 175.900 -0.237 0.000 1.117 73 Y CA 0.055 57.867 58.100 -0.480 0.000 1.263 73 Y CB 0.576 38.762 38.460 -0.456 0.000 1.230 73 Y HN 0.018 nan 8.280 nan 0.000 0.528 74 T N 0.446 114.876 114.554 -0.206 0.000 2.912 74 T HA 0.368 4.718 4.350 -0.001 0.000 0.299 74 T C 0.438 175.042 174.700 -0.160 0.000 1.052 74 T CA -0.836 61.074 62.100 -0.317 0.000 0.996 74 T CB 1.282 69.556 68.868 -0.990 0.000 1.070 74 T HN 0.362 nan 8.240 nan 0.000 0.465 75 R N 2.562 123.008 120.500 -0.091 0.000 2.317 75 R HA 0.549 4.889 4.340 -0.001 0.000 0.208 75 R C 0.855 177.131 176.300 -0.040 0.000 0.914 75 R CA -0.118 55.963 56.100 -0.033 0.000 1.060 75 R CB -0.141 30.170 30.300 0.017 0.000 1.015 75 R HN 0.502 nan 8.270 nan 0.000 0.498 76 A N 2.329 125.086 122.820 -0.106 0.000 2.566 76 A HA 0.015 4.335 4.320 -0.001 0.000 0.245 76 A C 0.666 178.173 177.584 -0.128 0.000 1.056 76 A CA -0.170 51.768 52.037 -0.164 0.000 0.757 76 A CB 0.385 19.209 19.000 -0.294 0.000 0.979 76 A HN 0.194 nan 8.150 nan 0.000 0.508 77 K N 2.448 122.774 120.400 -0.123 0.000 2.147 77 K HA -0.145 4.175 4.320 -0.001 0.000 0.205 77 K C 1.622 178.153 176.600 -0.115 0.000 1.049 77 K CA 1.419 57.660 56.287 -0.077 0.000 0.936 77 K CB -0.412 32.060 32.500 -0.046 0.000 0.722 77 K HN 0.869 nan 8.250 nan 0.000 0.446 78 I N -0.037 120.366 120.570 -0.277 0.000 2.454 78 I HA -0.226 3.943 4.170 -0.001 0.000 0.254 78 I C 0.577 176.505 176.117 -0.315 0.000 1.156 78 I CA 1.225 62.302 61.300 -0.372 0.000 1.433 78 I CB 0.124 37.717 38.000 -0.679 0.000 1.082 78 I HN -0.070 nan 8.210 nan 0.000 0.432 79 F N -0.158 119.795 119.950 0.006 0.000 2.661 79 F HA 0.165 4.691 4.527 -0.001 0.000 0.306 79 F C 2.431 178.238 175.800 0.013 0.000 1.094 79 F CA 0.328 58.353 58.000 0.043 0.000 1.254 79 F CB -0.689 38.297 39.000 -0.023 0.000 1.040 79 F HN 0.057 nan 8.300 nan 0.000 0.562 80 S N -0.314 115.459 115.700 0.122 0.000 2.400 80 S HA -0.187 4.283 4.470 -0.001 0.000 0.232 80 S C 0.723 175.365 174.600 0.071 0.000 1.025 80 S CA 1.101 59.345 58.200 0.073 0.000 0.993 80 S CB -0.157 63.065 63.200 0.036 0.000 0.808 80 S HN 0.535 nan 8.310 nan 0.000 0.478 81 E N -0.258 119.993 120.200 0.086 0.000 2.343 81 E HA 0.466 4.816 4.350 -0.001 0.000 0.278 81 E C -1.526 175.119 176.600 0.076 0.000 0.910 81 E CA -0.859 55.580 56.400 0.065 0.000 0.757 81 E CB 2.285 32.012 29.700 0.044 0.000 1.218 81 E HN 0.061 nan 8.360 nan 0.000 0.435 82 V N 3.573 123.519 119.914 0.054 0.000 2.529 82 V HA 0.312 4.432 4.120 -0.001 0.000 0.292 82 V C 1.362 177.473 176.094 0.028 0.000 1.028 82 V CA 1.812 64.136 62.300 0.040 0.000 1.074 82 V CB 0.559 32.386 31.823 0.007 0.000 0.958 82 V HN 1.057 nan 8.190 nan 0.000 0.481 83 G N 3.979 112.794 108.800 0.024 0.000 2.213 83 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.236 83 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.236 83 G C 0.395 175.307 174.900 0.020 0.000 0.991 83 G CA 0.209 45.319 45.100 0.017 0.000 0.629 83 G HN 0.718 nan 8.290 nan 0.000 0.517 84 K N 1.484 121.908 120.400 0.040 0.000 2.447 84 K HA 0.384 4.704 4.320 -0.001 0.000 0.281 84 K C 0.278 176.912 176.600 0.056 0.000 1.031 84 K CA 0.270 56.590 56.287 0.055 0.000 1.019 84 K CB 0.169 32.715 32.500 0.078 0.000 0.918 84 K HN 0.297 nan 8.250 nan 0.000 0.476 85 K N 2.367 122.803 120.400 0.060 0.000 2.156 85 K HA 0.328 4.648 4.320 -0.001 0.000 0.254 85 K C -0.938 175.742 176.600 0.134 0.000 0.950 85 K CA -0.737 55.597 56.287 0.077 0.000 0.849 85 K CB 2.110 34.641 32.500 0.052 0.000 1.100 85 K HN 0.479 nan 8.250 nan 0.000 0.434 86 T N 1.458 116.140 114.554 0.213 0.000 2.921 86 T HA 0.154 4.504 4.350 -0.001 0.000 0.297 86 T C -0.871 173.992 174.700 0.273 0.000 1.013 86 T CA -0.835 61.409 62.100 0.240 0.000 0.990 86 T CB 1.581 70.619 68.868 0.283 0.000 1.023 86 T HN 0.380 nan 8.240 nan 0.000 0.447 87 E N 2.533 122.877 120.200 0.240 0.000 2.404 87 E HA 0.445 4.795 4.350 -0.001 0.000 0.261 87 E C -0.207 176.620 176.600 0.378 0.000 1.074 87 E CA 0.021 56.584 56.400 0.271 0.000 0.917 87 E CB 0.851 30.663 29.700 0.187 0.000 0.965 87 E HN 0.601 nan 8.360 nan 0.000 0.433 88 M N 0.783 120.565 119.600 0.304 0.000 2.773 88 M HA 0.568 5.047 4.480 -0.001 0.000 0.270 88 M C -1.469 174.888 176.300 0.096 0.000 1.238 88 M CA -0.960 54.338 55.300 -0.003 0.000 0.832 88 M CB 1.439 33.776 32.600 -0.438 0.000 1.672 88 M HN 0.266 nan 8.290 nan 0.000 0.480 89 F N 0.676 120.372 119.950 -0.423 0.000 2.565 89 F HA 0.958 5.485 4.527 -0.001 0.000 0.313 89 F C -1.726 173.684 175.800 -0.650 0.000 1.091 89 F CA -0.597 57.113 58.000 -0.482 0.000 0.915 89 F CB 1.899 40.631 39.000 -0.446 0.000 1.208 89 F HN 1.116 nan 8.300 nan 0.000 0.453 90 A N 5.620 127.489 122.820 -1.585 0.000 2.401 90 A HA 0.850 5.170 4.320 -0.001 0.000 0.310 90 A C -1.417 175.087 177.584 -1.800 0.000 1.075 90 A CA -0.889 50.206 52.037 -1.569 0.000 0.746 90 A CB 1.663 19.768 19.000 -1.492 0.000 1.277 90 A HN 0.862 nan 8.150 nan 0.000 0.425 91 R N 1.980 121.552 120.500 -1.546 0.000 2.502 91 R HA 0.580 4.919 4.340 -0.001 0.000 0.298 91 R C -1.944 173.640 176.300 -1.194 0.000 1.018 91 R CA -0.329 55.069 56.100 -1.170 0.000 0.899 91 R CB 0.809 30.745 30.300 -0.607 0.000 1.181 91 R HN 0.627 nan 8.270 nan 0.000 0.444 92 F N 2.191 121.690 119.950 -0.751 0.000 2.397 92 F HA 0.548 5.074 4.527 -0.001 0.000 0.331 92 F C 0.688 176.040 175.800 -0.748 0.000 1.090 92 F CA -0.308 57.146 58.000 -0.910 0.000 1.065 92 F CB 2.092 40.225 39.000 -1.445 0.000 1.184 92 F HN 0.603 nan 8.300 nan 0.000 0.499 93 S N -0.581 115.003 115.700 -0.194 0.000 2.661 93 S HA 0.693 5.163 4.470 -0.001 0.000 0.268 93 S C -0.872 173.945 174.600 0.360 0.000 1.162 93 S CA -0.998 57.294 58.200 0.154 0.000 0.817 93 S CB 1.502 64.819 63.200 0.195 0.000 1.141 93 S HN 0.677 nan 8.310 nan 0.000 0.477 94 T N -1.388 113.354 114.554 0.314 0.000 2.940 94 T HA 0.686 5.036 4.350 -0.001 0.000 0.288 94 T C 0.949 175.645 174.700 -0.007 0.000 1.033 94 T CA -0.566 61.659 62.100 0.208 0.000 1.033 94 T CB 1.203 70.179 68.868 0.179 0.000 1.079 94 T HN 0.539 nan 8.240 nan 0.000 0.496 95 V N 0.949 120.785 119.914 -0.130 0.000 2.331 95 V HA 0.114 4.234 4.120 -0.001 0.000 0.242 95 V C 2.871 178.874 176.094 -0.152 0.000 1.034 95 V CA 1.672 63.743 62.300 -0.380 0.000 1.027 95 V CB -1.225 30.486 31.823 -0.187 0.000 0.667 95 V HN 1.067 nan 8.190 nan 0.000 0.457 96 A N 0.237 123.033 122.820 -0.041 0.000 2.081 96 A HA 0.342 4.662 4.320 -0.001 0.000 0.214 96 A C 1.575 179.165 177.584 0.011 0.000 1.158 96 A CA 0.826 52.855 52.037 -0.014 0.000 0.724 96 A CB -0.695 18.302 19.000 -0.004 0.000 0.826 96 A HN 0.528 nan 8.150 nan 0.000 0.463 97 G N 0.266 109.086 108.800 0.032 0.000 2.442 97 G HA2 0.435 4.395 3.960 -0.001 0.000 0.249 97 G HA3 0.435 4.395 3.960 -0.001 0.000 0.249 97 G C -0.307 174.626 174.900 0.055 0.000 1.263 97 G CA -0.257 44.872 45.100 0.047 0.000 0.846 97 G HN 0.391 nan 8.290 nan 0.000 0.555 98 E N 0.300 120.531 120.200 0.051 0.000 2.351 98 E HA 0.260 4.610 4.350 -0.001 0.000 0.255 98 E C 1.769 178.411 176.600 0.070 0.000 1.188 98 E CA -0.555 55.879 56.400 0.056 0.000 0.940 98 E CB 0.748 30.474 29.700 0.044 0.000 1.094 98 E HN 0.460 nan 8.360 nan 0.000 0.474 99 R N 0.356 120.902 120.500 0.077 0.000 2.159 99 R HA -0.201 4.139 4.340 -0.001 0.000 0.252 99 R C 1.431 177.774 176.300 0.073 0.000 1.144 99 R CA 1.814 57.967 56.100 0.089 0.000 0.961 99 R CB -0.476 29.877 30.300 0.090 0.000 0.877 99 R HN 0.626 nan 8.270 nan 0.000 0.444 100 G N -0.779 108.054 108.800 0.054 0.000 3.434 100 G HA2 0.393 4.352 3.960 -0.001 0.000 0.258 100 G HA3 0.393 4.352 3.960 -0.001 0.000 0.258 100 G C 0.164 175.087 174.900 0.039 0.000 1.128 100 G CA 0.224 45.348 45.100 0.040 0.000 0.792 100 G HN 0.382 nan 8.290 nan 0.000 0.539 101 A N 0.362 123.211 122.820 0.048 0.000 2.307 101 A HA 0.701 5.021 4.320 -0.001 0.000 0.271 101 A C 0.920 178.530 177.584 0.044 0.000 1.188 101 A CA 0.430 52.494 52.037 0.045 0.000 0.810 101 A CB 0.023 19.054 19.000 0.052 0.000 1.123 101 A HN 1.022 nan 8.150 nan 0.000 0.509 102 A N -1.004 121.841 122.820 0.042 0.000 2.309 102 A HA 0.481 4.801 4.320 -0.001 0.000 0.298 102 A C 0.400 178.010 177.584 0.043 0.000 1.165 102 A CA -0.293 51.765 52.037 0.036 0.000 0.821 102 A CB 0.168 19.186 19.000 0.030 0.000 1.102 102 A HN 0.714 nan 8.150 nan 0.000 0.500 103 D N 2.194 122.612 120.400 0.030 0.000 2.097 103 D HA -0.043 4.596 4.640 -0.001 0.000 0.197 103 D C 1.362 177.664 176.300 0.004 0.000 0.984 103 D CA 2.032 56.041 54.000 0.015 0.000 0.826 103 D CB -0.131 40.646 40.800 -0.037 0.000 0.973 103 D HN 0.641 nan 8.370 nan 0.000 0.460 104 A N 1.384 124.205 122.820 0.002 0.000 3.077 104 A HA 0.159 4.479 4.320 -0.001 0.000 0.255 104 A C 0.030 177.632 177.584 0.030 0.000 1.728 104 A CA 0.074 52.117 52.037 0.009 0.000 1.383 104 A CB -0.516 18.485 19.000 0.002 0.000 1.097 104 A HN 0.026 nan 8.150 nan 0.000 0.634 105 E N 0.126 120.354 120.200 0.047 0.000 2.227 105 E HA 0.322 4.672 4.350 -0.001 0.000 0.268 105 E C -0.243 176.401 176.600 0.074 0.000 0.907 105 E CA -1.042 55.393 56.400 0.059 0.000 0.786 105 E CB 1.796 31.534 29.700 0.063 0.000 1.191 105 E HN 0.546 nan 8.360 nan 0.000 0.411 106 R N 2.320 122.867 120.500 0.079 0.000 2.399 106 R HA 0.054 4.393 4.340 -0.001 0.000 0.324 106 R C -1.004 175.361 176.300 0.108 0.000 1.030 106 R CA 0.708 56.863 56.100 0.093 0.000 0.984 106 R CB 0.103 30.462 30.300 0.097 0.000 0.961 106 R HN 0.408 nan 8.270 nan 0.000 0.433 107 D N 3.199 123.671 120.400 0.120 0.000 2.742 107 D HA 0.169 4.808 4.640 -0.001 0.000 0.262 107 D C -0.748 175.647 176.300 0.159 0.000 1.240 107 D CA -0.594 53.488 54.000 0.137 0.000 0.752 107 D CB 1.048 41.919 40.800 0.118 0.000 1.290 107 D HN 0.391 nan 8.370 nan 0.000 0.420 108 I N 1.690 122.369 120.570 0.182 0.000 2.634 108 I HA 0.173 4.343 4.170 -0.001 0.000 0.284 108 I C 0.638 176.903 176.117 0.247 0.000 1.124 108 I CA -0.186 61.241 61.300 0.211 0.000 1.417 108 I CB 0.410 38.567 38.000 0.262 0.000 1.396 108 I HN 0.029 nan 8.210 nan 0.000 0.571 109 R N 4.368 125.040 120.500 0.287 0.000 2.338 109 R HA 0.388 4.727 4.340 -0.001 0.000 0.317 109 R C -0.077 176.447 176.300 0.374 0.000 0.968 109 R CA -0.715 55.593 56.100 0.347 0.000 0.849 109 R CB 1.344 31.868 30.300 0.373 0.000 1.128 109 R HN 0.782 nan 8.270 nan 0.000 0.448 110 G N 1.374 110.412 108.800 0.396 0.000 2.442 110 G HA2 0.283 4.243 3.960 -0.001 0.000 0.249 110 G HA3 0.283 4.243 3.960 -0.001 0.000 0.249 110 G C -0.890 174.088 174.900 0.130 0.000 1.263 110 G CA -0.185 45.056 45.100 0.235 0.000 0.846 110 G HN 0.505 nan 8.290 nan 0.000 0.555 111 F N 2.694 122.547 119.950 -0.162 0.000 2.622 111 F HA 0.558 5.084 4.527 -0.001 0.000 0.338 111 F C 0.441 175.922 175.800 -0.531 0.000 1.334 111 F CA -0.845 57.019 58.000 -0.227 0.000 1.179 111 F CB 0.716 39.650 39.000 -0.109 0.000 1.471 111 F HN 0.641 nan 8.300 nan 0.000 0.576 112 A N 3.841 126.163 122.820 -0.830 0.000 2.301 112 A HA 0.728 5.048 4.320 -0.001 0.000 0.298 112 A C -1.442 175.404 177.584 -1.231 0.000 1.185 112 A CA -0.307 51.043 52.037 -1.145 0.000 0.830 112 A CB 0.541 18.452 19.000 -1.814 0.000 1.112 112 A HN 0.455 nan 8.150 nan 0.000 0.508 113 L N 2.040 122.711 121.223 -0.920 0.000 2.385 113 L HA 0.528 4.868 4.340 -0.001 0.000 0.273 113 L C 0.048 176.487 176.870 -0.718 0.000 0.990 113 L CA -0.231 54.025 54.840 -0.973 0.000 0.821 113 L CB 1.880 43.211 42.059 -1.213 0.000 1.279 113 L HN 0.774 nan 8.230 nan 0.000 0.412 114 K N 3.273 123.228 120.400 -0.742 0.000 2.394 114 K HA 0.557 4.876 4.320 -0.001 0.000 0.260 114 K C -1.585 174.383 176.600 -1.054 0.000 0.967 114 K CA -0.361 55.483 56.287 -0.737 0.000 0.855 114 K CB 0.748 32.841 32.500 -0.678 0.000 1.101 114 K HN 0.311 nan 8.250 nan 0.000 0.433 115 F N 3.912 123.504 119.950 -0.596 0.000 2.404 115 F HA 0.277 4.804 4.527 -0.001 0.000 0.354 115 F C -0.362 175.234 175.800 -0.339 0.000 1.122 115 F CA -0.744 56.999 58.000 -0.428 0.000 1.080 115 F CB 0.801 39.623 39.000 -0.298 0.000 1.131 115 F HN 0.439 nan 8.300 nan 0.000 0.471 116 Y N 1.777 122.117 120.300 0.066 0.000 2.636 116 Y HA 0.180 4.729 4.550 -0.001 0.000 0.334 116 Y C 1.120 177.043 175.900 0.038 0.000 1.286 116 Y CA -0.909 57.204 58.100 0.020 0.000 1.688 116 Y CB -0.664 37.789 38.460 -0.012 0.000 1.662 116 Y HN 0.535 nan 8.280 nan 0.000 0.465 117 T N -2.763 111.874 114.554 0.138 0.000 2.816 117 T HA 0.140 4.489 4.350 -0.001 0.000 0.282 117 T C 1.085 175.809 174.700 0.039 0.000 0.993 117 T CA -0.626 61.515 62.100 0.068 0.000 0.994 117 T CB 0.998 69.864 68.868 -0.003 0.000 1.025 117 T HN 0.619 nan 8.240 nan 0.000 0.529 118 E N 0.061 120.269 120.200 0.014 0.000 2.409 118 E HA -0.047 4.303 4.350 -0.001 0.000 0.198 118 E C 0.895 177.489 176.600 -0.010 0.000 1.024 118 E CA 0.786 57.191 56.400 0.010 0.000 0.861 118 E CB 0.088 29.795 29.700 0.012 0.000 0.788 118 E HN 0.724 nan 8.360 nan 0.000 0.521 119 E N 0.062 120.235 120.200 -0.044 0.000 2.869 119 E HA 0.290 4.639 4.350 -0.001 0.000 0.207 119 E C -0.105 176.439 176.600 -0.094 0.000 0.986 119 E CA -0.276 56.066 56.400 -0.096 0.000 1.131 119 E CB 1.236 30.831 29.700 -0.175 0.000 1.098 119 E HN 0.200 nan 8.360 nan 0.000 0.459 120 G N 1.320 110.096 108.800 -0.039 0.000 2.497 120 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.686 120 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.686 120 G C -1.098 173.808 174.900 0.010 0.000 1.288 120 G CA -1.120 43.965 45.100 -0.026 0.000 0.899 120 G HN 0.230 nan 8.290 nan 0.000 0.608 121 N N -0.217 118.484 118.700 0.002 0.000 2.458 121 N HA 0.409 5.149 4.740 -0.001 0.000 0.270 121 N C -0.828 174.728 175.510 0.076 0.000 1.102 121 N CA -0.214 52.828 53.050 -0.013 0.000 0.967 121 N CB 1.075 39.503 38.487 -0.098 0.000 1.078 121 N HN 0.574 nan 8.380 nan 0.000 0.471 122 W N 4.044 125.274 121.300 -0.115 0.000 2.361 122 W HA 0.319 4.978 4.660 -0.001 0.000 0.314 122 W C -1.244 175.243 176.519 -0.054 0.000 1.041 122 W CA -1.008 56.288 57.345 -0.080 0.000 1.241 122 W CB 0.410 29.804 29.460 -0.109 0.000 1.279 122 W HN 0.395 nan 8.180 nan 0.000 0.436 123 D N 6.141 126.433 120.400 -0.179 0.000 2.232 123 D HA 0.208 4.847 4.640 -0.001 0.000 0.242 123 D C -0.186 175.799 176.300 -0.526 0.000 1.093 123 D CA -0.123 53.688 54.000 -0.315 0.000 0.845 123 D CB 1.587 42.337 40.800 -0.083 0.000 1.124 123 D HN 0.217 nan 8.370 nan 0.000 0.467 124 M N 3.293 122.505 119.600 -0.646 0.000 2.065 124 M HA 0.173 4.653 4.480 -0.001 0.000 0.332 124 M C -1.242 174.812 176.300 -0.409 0.000 0.988 124 M CA -0.814 54.116 55.300 -0.617 0.000 0.944 124 M CB 0.808 32.936 32.600 -0.788 0.000 1.357 124 M HN -0.001 nan 8.290 nan 0.000 0.388 125 V N 4.294 124.048 119.914 -0.267 0.000 2.222 125 V HA 0.498 4.618 4.120 -0.001 0.000 0.253 125 V C 0.964 176.978 176.094 -0.132 0.000 1.210 125 V CA -0.428 61.707 62.300 -0.275 0.000 1.079 125 V CB -0.342 31.312 31.823 -0.282 0.000 1.265 125 V HN 0.831 nan 8.190 nan 0.000 0.494 126 G N 3.448 112.183 108.800 -0.109 0.000 2.795 126 G HA2 0.592 4.552 3.960 -0.001 0.000 0.267 126 G HA3 0.592 4.552 3.960 -0.001 0.000 0.267 126 G C -0.717 174.224 174.900 0.068 0.000 1.362 126 G CA -0.756 44.359 45.100 0.025 0.000 1.048 126 G HN 0.555 nan 8.290 nan 0.000 0.547 127 N N -1.233 117.550 118.700 0.138 0.000 2.761 127 N HA 0.218 4.958 4.740 -0.001 0.000 0.283 127 N C 0.015 175.670 175.510 0.242 0.000 1.377 127 N CA -0.817 52.359 53.050 0.211 0.000 0.791 127 N CB 1.442 40.054 38.487 0.207 0.000 1.540 127 N HN 0.513 nan 8.380 nan 0.000 0.539 128 N N -0.398 118.470 118.700 0.280 0.000 2.313 128 N HA -0.006 4.733 4.740 -0.001 0.000 0.207 128 N C -0.762 174.971 175.510 0.372 0.000 1.141 128 N CA 0.189 53.432 53.050 0.322 0.000 0.830 128 N CB 0.306 38.971 38.487 0.298 0.000 1.008 128 N HN 0.372 nan 8.380 nan 0.000 0.481 129 T N 0.051 114.720 114.554 0.190 0.000 2.893 129 T HA 0.385 4.734 4.350 -0.001 0.000 0.293 129 T C -2.349 172.005 174.700 -0.576 0.000 1.027 129 T CA -1.771 60.211 62.100 -0.196 0.000 0.988 129 T CB 2.315 71.112 68.868 -0.118 0.000 1.043 129 T HN -0.170 nan 8.240 nan 0.000 0.461 130 P HA 0.106 nan 4.420 nan 0.000 0.231 130 P C 0.632 177.657 177.300 -0.460 0.000 1.168 130 P CA 0.453 62.985 63.100 -0.947 0.000 0.779 130 P CB 0.016 31.124 31.700 -0.986 0.000 0.844 131 V N -4.670 114.999 119.914 -0.408 0.000 3.139 131 V HA 0.769 4.888 4.120 -0.001 0.000 0.310 131 V C -0.734 175.305 176.094 -0.093 0.000 1.260 131 V CA -1.093 61.040 62.300 -0.277 0.000 1.064 131 V CB 1.759 33.319 31.823 -0.438 0.000 1.160 131 V HN -0.096 nan 8.190 nan 0.000 0.470 132 F N -1.642 118.164 119.950 -0.240 0.000 2.715 132 F HA 0.638 5.164 4.527 -0.001 0.000 0.318 132 F C 0.291 176.017 175.800 -0.122 0.000 1.141 132 F CA -1.107 56.788 58.000 -0.176 0.000 0.950 132 F CB 1.574 40.572 39.000 -0.003 0.000 1.374 132 F HN 0.521 nan 8.300 nan 0.000 0.477 133 Y N 1.317 121.270 120.300 -0.578 0.000 2.439 133 Y HA 0.180 4.730 4.550 -0.001 0.000 0.292 133 Y C 0.319 176.215 175.900 -0.008 0.000 1.130 133 Y CA 0.702 58.632 58.100 -0.283 0.000 1.254 133 Y CB -0.212 38.077 38.460 -0.286 0.000 1.000 133 Y HN 0.055 nan 8.280 nan 0.000 0.554 134 L N -1.264 120.158 121.223 0.331 0.000 2.301 134 L HA 0.507 4.846 4.340 -0.001 0.000 0.264 134 L C 0.717 177.721 176.870 0.222 0.000 1.016 134 L CA -0.912 54.106 54.840 0.296 0.000 0.821 134 L CB 2.065 44.356 42.059 0.386 0.000 1.346 134 L HN -0.263 nan 8.230 nan 0.000 0.429 135 R N -0.883 119.649 120.500 0.054 0.000 2.287 135 R HA 0.152 4.492 4.340 -0.001 0.000 0.197 135 R C -0.342 175.907 176.300 -0.085 0.000 0.900 135 R CA 0.163 56.221 56.100 -0.069 0.000 1.052 135 R CB 0.626 30.739 30.300 -0.311 0.000 1.117 135 R HN 0.561 nan 8.270 nan 0.000 0.568 136 D N -0.041 120.324 120.400 -0.058 0.000 2.505 136 D HA 0.144 4.784 4.640 -0.001 0.000 0.249 136 D C -1.935 174.445 176.300 0.133 0.000 1.082 136 D CA -2.175 51.844 54.000 0.032 0.000 0.839 136 D CB 2.290 43.122 40.800 0.052 0.000 1.317 136 D HN -0.141 nan 8.370 nan 0.000 0.497 137 P HA -0.107 nan 4.420 nan 0.000 0.221 137 P C 1.870 179.277 177.300 0.179 0.000 1.145 137 P CA 0.412 63.604 63.100 0.152 0.000 0.795 137 P CB 0.638 32.381 31.700 0.072 0.000 0.775 138 L N -0.581 120.726 121.223 0.141 0.000 2.127 138 L HA -0.138 4.201 4.340 -0.001 0.000 0.211 138 L C 2.362 179.313 176.870 0.134 0.000 1.089 138 L CA 1.385 56.297 54.840 0.122 0.000 0.757 138 L CB -0.507 41.612 42.059 0.101 0.000 0.899 138 L HN -0.062 nan 8.230 nan 0.000 0.434 139 K N -0.927 119.580 120.400 0.178 0.000 2.486 139 K HA -0.074 4.246 4.320 -0.001 0.000 0.194 139 K C 1.750 178.461 176.600 0.184 0.000 1.033 139 K CA 0.498 56.901 56.287 0.193 0.000 1.004 139 K CB -0.230 32.411 32.500 0.236 0.000 0.798 139 K HN 0.159 nan 8.250 nan 0.000 0.495 140 F N 2.653 122.656 119.950 0.088 0.000 2.095 140 F HA -0.143 4.384 4.527 -0.001 0.000 0.298 140 F C -0.924 174.834 175.800 -0.070 0.000 1.104 140 F CA 1.322 59.366 58.000 0.073 0.000 1.232 140 F CB -0.880 38.175 39.000 0.092 0.000 0.987 140 F HN 0.053 nan 8.300 nan 0.000 0.475 141 P HA -0.125 nan 4.420 nan 0.000 0.218 141 P C 0.764 177.618 177.300 -0.744 0.000 1.149 141 P CA 2.059 64.950 63.100 -0.348 0.000 0.817 141 P CB -0.076 31.480 31.700 -0.239 0.000 0.785 142 D N -0.950 119.138 120.400 -0.520 0.000 2.117 142 D HA -0.132 4.508 4.640 -0.001 0.000 0.198 142 D C 1.797 177.555 176.300 -0.903 0.000 0.982 142 D CA 0.617 54.254 54.000 -0.606 0.000 0.828 142 D CB -0.782 39.860 40.800 -0.263 0.000 0.967 142 D HN 0.031 nan 8.370 nan 0.000 0.464 143 L N 1.072 121.840 121.223 -0.758 0.000 2.012 143 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 143 L C 1.718 178.174 176.870 -0.690 0.000 1.073 143 L CA 1.707 56.055 54.840 -0.819 0.000 0.748 143 L CB -0.679 41.111 42.059 -0.448 0.000 0.891 143 L HN 0.057 nan 8.230 nan 0.000 0.431 144 N N -0.791 117.538 118.700 -0.619 0.000 2.069 144 N HA -0.276 4.464 4.740 -0.001 0.000 0.191 144 N C 1.924 177.306 175.510 -0.214 0.000 1.031 144 N CA 2.070 54.882 53.050 -0.398 0.000 0.852 144 N CB -0.283 38.013 38.487 -0.318 0.000 1.018 144 N HN 0.682 nan 8.380 nan 0.000 0.423 145 H N -0.180 118.681 119.070 -0.348 0.000 2.422 145 H HA -0.109 4.446 4.556 -0.001 0.000 0.298 145 H C 1.931 177.081 175.328 -0.297 0.000 1.098 145 H CA 1.459 57.336 56.048 -0.284 0.000 1.315 145 H CB 0.106 29.701 29.762 -0.278 0.000 1.382 145 H HN 0.419 nan 8.280 nan 0.000 0.523 146 I N -2.586 117.783 120.570 -0.334 0.000 3.427 146 I HA 0.025 4.195 4.170 -0.001 0.000 0.288 146 I C 1.815 177.774 176.117 -0.262 0.000 1.249 146 I CA 0.461 61.565 61.300 -0.327 0.000 1.421 146 I CB 0.019 37.678 38.000 -0.569 0.000 1.086 146 I HN -0.076 nan 8.210 nan 0.000 0.448 147 V N 0.429 120.176 119.914 -0.278 0.000 3.052 147 V HA 0.122 4.241 4.120 -0.001 0.000 0.254 147 V C 1.613 177.646 176.094 -0.102 0.000 1.100 147 V CA 1.077 63.265 62.300 -0.188 0.000 1.112 147 V CB -0.280 31.414 31.823 -0.215 0.000 0.738 147 V HN 0.358 nan 8.190 nan 0.000 0.469 148 K N -0.418 119.926 120.400 -0.094 0.000 2.762 148 K HA 0.454 4.773 4.320 -0.001 0.000 0.292 148 K C -0.012 176.568 176.600 -0.033 0.000 1.008 148 K CA -0.867 55.390 56.287 -0.049 0.000 1.142 148 K CB 0.461 32.938 32.500 -0.038 0.000 1.490 148 K HN 0.088 nan 8.250 nan 0.000 0.581 149 R N 1.559 122.044 120.500 -0.025 0.000 2.539 149 R HA 0.032 4.372 4.340 -0.001 0.000 0.275 149 R C -0.187 176.108 176.300 -0.009 0.000 1.077 149 R CA -0.293 55.797 56.100 -0.016 0.000 1.097 149 R CB 0.313 30.604 30.300 -0.014 0.000 1.018 149 R HN 0.500 nan 8.270 nan 0.000 0.483 150 D N 3.824 124.233 120.400 0.014 0.000 2.458 150 D HA -0.021 4.619 4.640 -0.001 0.000 0.243 150 D C -1.272 175.042 176.300 0.022 0.000 1.146 150 D CA -1.401 52.635 54.000 0.060 0.000 0.877 150 D CB 1.120 41.931 40.800 0.018 0.000 1.176 150 D HN 0.308 nan 8.370 nan 0.000 0.461 151 P HA -0.145 nan 4.420 nan 0.000 0.221 151 P C 1.150 178.445 177.300 -0.008 0.000 1.145 151 P CA 1.003 64.088 63.100 -0.025 0.000 0.795 151 P CB 0.461 32.130 31.700 -0.052 0.000 0.775 152 R N -0.035 120.473 120.500 0.015 0.000 2.119 152 R HA 0.012 4.351 4.340 -0.001 0.000 0.202 152 R C 2.376 178.676 176.300 0.000 0.000 1.114 152 R CA 1.425 57.530 56.100 0.008 0.000 1.089 152 R CB -0.569 29.742 30.300 0.018 0.000 1.000 152 R HN 0.107 nan 8.270 nan 0.000 0.487 153 T N -1.647 112.906 114.554 -0.002 0.000 3.055 153 T HA -0.038 4.311 4.350 -0.001 0.000 0.265 153 T C 0.690 175.384 174.700 -0.010 0.000 1.111 153 T CA 0.976 63.069 62.100 -0.011 0.000 1.118 153 T CB -0.256 68.598 68.868 -0.024 0.000 0.909 153 T HN 0.502 nan 8.240 nan 0.000 0.501 154 N N 0.076 118.771 118.700 -0.009 0.000 2.747 154 N HA -0.152 4.587 4.740 -0.001 0.000 0.249 154 N C -0.658 174.847 175.510 -0.008 0.000 1.107 154 N CA 0.867 53.911 53.050 -0.009 0.000 0.707 154 N CB -1.834 36.649 38.487 -0.007 0.000 1.054 154 N HN 0.714 nan 8.380 nan 0.000 0.555 155 M N -0.104 119.488 119.600 -0.013 0.000 2.619 155 M HA 0.386 4.865 4.480 -0.001 0.000 0.297 155 M C 0.066 176.355 176.300 -0.018 0.000 1.229 155 M CA -0.815 54.478 55.300 -0.012 0.000 0.860 155 M CB 1.990 34.581 32.600 -0.015 0.000 1.741 155 M HN -0.061 nan 8.290 nan 0.000 0.462 156 R N 1.842 122.336 120.500 -0.010 0.000 2.522 156 R HA 0.119 4.458 4.340 -0.001 0.000 0.284 156 R C -0.331 175.953 176.300 -0.026 0.000 1.032 156 R CA -0.020 56.074 56.100 -0.009 0.000 1.049 156 R CB 0.034 30.338 30.300 0.007 0.000 0.956 156 R HN 0.407 nan 8.270 nan 0.000 0.422 157 N N 4.033 122.705 118.700 -0.047 0.000 2.511 157 N HA 0.053 4.792 4.740 -0.001 0.000 0.249 157 N C 0.611 176.099 175.510 -0.038 0.000 0.971 157 N CA -0.348 52.626 53.050 -0.127 0.000 0.938 157 N CB 1.046 39.305 38.487 -0.379 0.000 1.131 157 N HN 0.431 nan 8.380 nan 0.000 0.505 158 M N 2.101 121.724 119.600 0.038 0.000 2.213 158 M HA -0.036 4.444 4.480 -0.001 0.000 0.263 158 M C 1.954 178.411 176.300 0.262 0.000 1.062 158 M CA 0.886 56.304 55.300 0.196 0.000 1.105 158 M CB -1.640 31.121 32.600 0.268 0.000 1.385 158 M HN 0.634 nan 8.290 nan 0.000 0.417 159 A N -0.328 122.563 122.820 0.119 0.000 1.883 159 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 159 A C 2.044 179.784 177.584 0.259 0.000 1.186 159 A CA 1.534 53.662 52.037 0.151 0.000 0.624 159 A CB -0.986 18.023 19.000 0.015 0.000 0.822 159 A HN 0.398 nan 8.150 nan 0.000 0.444 160 Y N 0.088 120.426 120.300 0.064 0.000 2.145 160 Y HA -0.170 4.379 4.550 -0.001 0.000 0.286 160 Y C 2.376 178.251 175.900 -0.043 0.000 1.145 160 Y CA 1.171 59.274 58.100 0.006 0.000 1.148 160 Y CB -0.906 37.524 38.460 -0.049 0.000 0.981 160 Y HN 0.439 nan 8.280 nan 0.000 0.507 161 K N -0.609 119.837 120.400 0.077 0.000 2.032 161 K HA -0.235 4.085 4.320 -0.001 0.000 0.209 161 K C 1.913 178.394 176.600 -0.199 0.000 1.048 161 K CA 2.187 58.365 56.287 -0.182 0.000 0.927 161 K CB -0.560 31.802 32.500 -0.230 0.000 0.712 161 K HN 0.309 nan 8.250 nan 0.000 0.441 162 W N 1.119 122.536 121.300 0.194 0.000 2.584 162 W HA -0.061 4.599 4.660 -0.001 0.000 0.264 162 W C 1.910 178.507 176.519 0.129 0.000 1.264 162 W CA 0.619 58.086 57.345 0.203 0.000 1.306 162 W CB -0.126 29.428 29.460 0.157 0.000 1.110 162 W HN 0.340 nan 8.180 nan 0.000 0.606 163 D N -0.096 120.472 120.400 0.281 0.000 2.097 163 D HA -0.245 4.395 4.640 -0.001 0.000 0.197 163 D C 1.872 178.296 176.300 0.207 0.000 0.984 163 D CA 1.251 55.375 54.000 0.207 0.000 0.826 163 D CB -0.507 40.433 40.800 0.232 0.000 0.973 163 D HN 0.066 nan 8.370 nan 0.000 0.460 164 F N 0.169 120.097 119.950 -0.037 0.000 2.046 164 F HA -0.156 4.371 4.527 -0.001 0.000 0.297 164 F C 1.960 177.676 175.800 -0.139 0.000 1.123 164 F CA 1.478 59.380 58.000 -0.164 0.000 1.199 164 F CB -0.657 38.058 39.000 -0.474 0.000 0.972 164 F HN -0.087 nan 8.300 nan 0.000 0.474 165 F N 0.907 120.821 119.950 -0.061 0.000 2.216 165 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 165 F C 2.928 178.636 175.800 -0.153 0.000 1.085 165 F CA 1.227 59.101 58.000 -0.209 0.000 1.326 165 F CB -1.591 37.263 39.000 -0.243 0.000 1.027 165 F HN 0.145 nan 8.300 nan 0.000 0.497 166 S N -1.481 114.267 115.700 0.081 0.000 2.474 166 S HA -0.167 4.303 4.470 -0.001 0.000 0.235 166 S C 1.634 176.100 174.600 -0.223 0.000 0.997 166 S CA 1.133 59.284 58.200 -0.082 0.000 0.949 166 S CB -0.713 62.415 63.200 -0.119 0.000 0.766 166 S HN 0.444 nan 8.310 nan 0.000 0.517 167 H N 0.560 119.578 119.070 -0.088 0.000 2.563 167 H HA 0.407 4.962 4.556 -0.001 0.000 0.264 167 H C -0.078 175.129 175.328 -0.201 0.000 0.957 167 H CA 0.239 56.206 56.048 -0.135 0.000 1.173 167 H CB 0.243 29.918 29.762 -0.146 0.000 1.420 167 H HN 0.395 nan 8.280 nan 0.000 0.551 168 L N 1.803 122.945 121.223 -0.136 0.000 2.408 168 L HA 0.248 4.588 4.340 -0.001 0.000 0.257 168 L C -1.854 174.886 176.870 -0.216 0.000 1.053 168 L CA -1.611 53.114 54.840 -0.191 0.000 0.922 168 L CB 2.078 43.988 42.059 -0.249 0.000 1.261 168 L HN -0.169 nan 8.230 nan 0.000 0.458 169 P HA -0.204 nan 4.420 nan 0.000 0.218 169 P C 1.353 178.372 177.300 -0.467 0.000 1.148 169 P CA 0.999 63.786 63.100 -0.522 0.000 0.822 169 P CB 0.206 31.312 31.700 -0.989 0.000 0.784 170 E N 0.294 120.235 120.200 -0.431 0.000 2.265 170 E HA -0.152 4.198 4.350 -0.001 0.000 0.196 170 E C 1.500 178.100 176.600 0.001 0.000 0.996 170 E CA 1.720 58.083 56.400 -0.062 0.000 0.832 170 E CB -1.133 28.624 29.700 0.094 0.000 0.756 170 E HN 0.347 nan 8.360 nan 0.000 0.491 171 S N 0.250 115.935 115.700 -0.025 0.000 2.607 171 S HA 0.016 4.485 4.470 -0.001 0.000 0.224 171 S C 1.823 176.400 174.600 -0.039 0.000 0.969 171 S CA -0.126 58.074 58.200 0.001 0.000 0.927 171 S CB -0.132 63.089 63.200 0.035 0.000 0.772 171 S HN 0.040 nan 8.310 nan 0.000 0.533 172 L N 2.175 123.393 121.223 -0.009 0.000 2.042 172 L HA -0.088 4.252 4.340 -0.001 0.000 0.210 172 L C 2.463 179.442 176.870 0.182 0.000 1.076 172 L CA 1.968 56.854 54.840 0.078 0.000 0.749 172 L CB -1.856 40.255 42.059 0.087 0.000 0.893 172 L HN 0.591 nan 8.230 nan 0.000 0.432 173 H N -1.382 117.708 119.070 0.034 0.000 2.290 173 H HA -0.246 4.309 4.556 -0.001 0.000 0.298 173 H C 2.316 177.625 175.328 -0.032 0.000 1.087 173 H CA 1.568 57.634 56.048 0.031 0.000 1.291 173 H CB 0.488 30.252 29.762 0.003 0.000 1.369 173 H HN 0.237 nan 8.280 nan 0.000 0.492 174 Q N 0.813 120.579 119.800 -0.057 0.000 2.119 174 Q HA -0.081 4.259 4.340 -0.001 0.000 0.201 174 Q C 2.395 178.283 176.000 -0.187 0.000 0.972 174 Q CA 1.241 56.854 55.803 -0.316 0.000 0.847 174 Q CB -0.300 27.951 28.738 -0.812 0.000 0.903 174 Q HN 0.563 nan 8.270 nan 0.000 0.433 175 L N -0.393 120.791 121.223 -0.066 0.000 2.079 175 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 175 L C 2.167 179.170 176.870 0.222 0.000 1.081 175 L CA 1.667 56.556 54.840 0.082 0.000 0.752 175 L CB -0.610 41.514 42.059 0.108 0.000 0.896 175 L HN 0.264 nan 8.230 nan 0.000 0.433 176 T N -0.147 114.569 114.554 0.271 0.000 2.821 176 T HA -0.089 4.260 4.350 -0.001 0.000 0.267 176 T C 1.889 176.701 174.700 0.187 0.000 1.046 176 T CA 1.103 63.391 62.100 0.315 0.000 1.139 176 T CB -0.091 69.006 68.868 0.382 0.000 0.871 176 T HN 0.209 nan 8.240 nan 0.000 0.454 177 I N 1.093 121.742 120.570 0.131 0.000 2.353 177 I HA -0.130 4.039 4.170 -0.001 0.000 0.248 177 I C 2.225 178.381 176.117 0.065 0.000 1.119 177 I CA 0.996 62.339 61.300 0.072 0.000 1.417 177 I CB -0.296 37.703 38.000 -0.002 0.000 1.078 177 I HN 0.101 nan 8.210 nan 0.000 0.421 178 D N 0.764 121.202 120.400 0.064 0.000 2.097 178 D HA -0.162 4.478 4.640 -0.001 0.000 0.195 178 D C 2.146 178.516 176.300 0.117 0.000 0.989 178 D CA 1.354 55.410 54.000 0.094 0.000 0.827 178 D CB -0.130 40.744 40.800 0.125 0.000 0.966 178 D HN 0.164 nan 8.370 nan 0.000 0.456 179 M N 0.751 120.436 119.600 0.143 0.000 2.557 179 M HA 0.026 4.505 4.480 -0.001 0.000 0.259 179 M C 1.067 177.408 176.300 0.068 0.000 1.086 179 M CA 0.230 55.607 55.300 0.129 0.000 1.096 179 M CB -0.953 31.751 32.600 0.174 0.000 1.424 179 M HN -0.091 nan 8.290 nan 0.000 0.488 180 S N 0.271 116.006 115.700 0.058 0.000 2.617 180 S HA 0.085 4.554 4.470 -0.001 0.000 0.259 180 S C 0.846 175.457 174.600 0.019 0.000 1.301 180 S CA -0.466 57.745 58.200 0.018 0.000 0.984 180 S CB 1.084 64.300 63.200 0.026 0.000 0.954 180 S HN 0.184 nan 8.310 nan 0.000 0.572 181 D N 0.591 120.989 120.400 -0.004 0.000 2.182 181 D HA -0.064 4.575 4.640 -0.001 0.000 0.201 181 D C 1.926 178.243 176.300 0.028 0.000 0.986 181 D CA 1.226 55.227 54.000 0.001 0.000 0.847 181 D CB -0.290 40.496 40.800 -0.022 0.000 0.942 181 D HN 0.561 nan 8.370 nan 0.000 0.467 182 R N 0.143 120.669 120.500 0.044 0.000 2.316 182 R HA 0.048 4.387 4.340 -0.001 0.000 0.202 182 R C 2.008 178.361 176.300 0.088 0.000 1.029 182 R CA 0.614 56.758 56.100 0.073 0.000 1.018 182 R CB -0.174 30.185 30.300 0.098 0.000 0.888 182 R HN 0.097 nan 8.270 nan 0.000 0.471 183 G N 0.416 109.262 108.800 0.077 0.000 2.679 183 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.212 183 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.212 183 G C 0.304 175.259 174.900 0.092 0.000 1.137 183 G CA 0.144 45.297 45.100 0.089 0.000 0.787 183 G HN 0.122 nan 8.290 nan 0.000 0.534 184 L N 0.688 121.957 121.223 0.078 0.000 2.492 184 L HA 0.498 4.838 4.340 -0.001 0.000 0.259 184 L C -2.681 174.225 176.870 0.060 0.000 1.229 184 L CA -2.574 52.308 54.840 0.069 0.000 0.903 184 L CB 1.908 43.999 42.059 0.053 0.000 1.114 184 L HN -0.237 nan 8.230 nan 0.000 0.494 185 P HA 0.108 nan 4.420 nan 0.000 0.272 185 P C 0.746 178.083 177.300 0.061 0.000 1.230 185 P CA -0.316 62.837 63.100 0.088 0.000 0.788 185 P CB 0.815 32.598 31.700 0.138 0.000 0.949 186 L N 1.553 122.814 121.223 0.064 0.000 2.093 186 L HA 0.010 4.350 4.340 -0.001 0.000 0.208 186 L C 0.605 177.529 176.870 0.089 0.000 1.085 186 L CA 2.119 56.982 54.840 0.039 0.000 0.755 186 L CB -0.577 41.447 42.059 -0.058 0.000 0.904 186 L HN 0.611 nan 8.230 nan 0.000 0.435 187 S N -4.860 110.949 115.700 0.182 0.000 2.655 187 S HA 0.218 4.688 4.470 -0.001 0.000 0.266 187 S C 0.299 174.938 174.600 0.066 0.000 1.149 187 S CA -0.352 57.877 58.200 0.049 0.000 0.818 187 S CB -0.335 62.946 63.200 0.135 0.000 1.130 187 S HN 0.022 nan 8.310 nan 0.000 0.476 188 Y N 0.929 121.236 120.300 0.012 0.000 2.421 188 Y HA 0.165 4.714 4.550 -0.001 0.000 0.292 188 Y C 2.477 178.237 175.900 -0.233 0.000 1.136 188 Y CA 0.911 58.900 58.100 -0.185 0.000 1.255 188 Y CB -0.547 37.710 38.460 -0.338 0.000 0.991 188 Y HN 0.548 nan 8.280 nan 0.000 0.552 189 R N -1.088 119.341 120.500 -0.120 0.000 2.276 189 R HA 0.021 4.361 4.340 -0.001 0.000 0.203 189 R C -0.229 175.664 176.300 -0.679 0.000 1.017 189 R CA 0.577 56.418 56.100 -0.431 0.000 1.010 189 R CB -0.120 29.701 30.300 -0.798 0.000 0.900 189 R HN 0.172 nan 8.270 nan 0.000 0.469 190 F N -0.089 119.890 119.950 0.048 0.000 2.739 190 F HA 0.341 4.868 4.527 -0.001 0.000 0.345 190 F C -0.361 175.442 175.800 0.005 0.000 1.373 190 F CA -0.597 57.390 58.000 -0.023 0.000 1.160 190 F CB 0.953 39.928 39.000 -0.041 0.000 1.137 190 F HN -0.305 nan 8.300 nan 0.000 0.524 191 V N 0.147 120.186 119.914 0.208 0.000 2.971 191 V HA 0.439 4.558 4.120 -0.001 0.000 0.309 191 V C -0.720 175.546 176.094 0.287 0.000 1.130 191 V CA -0.712 61.712 62.300 0.207 0.000 0.964 191 V CB 2.174 34.163 31.823 0.276 0.000 1.029 191 V HN 0.195 nan 8.190 nan 0.000 0.427 192 H N 2.108 121.325 119.070 0.244 0.000 2.511 192 H HA 0.618 5.174 4.556 -0.001 0.000 0.346 192 H C 0.335 175.471 175.328 -0.319 0.000 1.128 192 H CA 0.350 56.429 56.048 0.053 0.000 1.342 192 H CB 1.853 31.598 29.762 -0.027 0.000 1.470 192 H HN 0.850 nan 8.280 nan 0.000 0.546 193 G N 1.037 109.427 108.800 -0.685 0.000 2.432 193 G HA2 0.556 4.515 3.960 -0.001 0.000 0.331 193 G HA3 0.556 4.515 3.960 -0.001 0.000 0.331 193 G C -1.418 173.005 174.900 -0.795 0.000 1.170 193 G CA -0.392 43.915 45.100 -1.323 0.000 0.943 193 G HN 0.357 nan 8.290 nan 0.000 0.483 194 F N -0.966 118.876 119.950 -0.180 0.000 2.631 194 F HA 0.493 5.020 4.527 -0.001 0.000 0.308 194 F C 1.034 176.854 175.800 0.032 0.000 1.097 194 F CA -0.525 57.445 58.000 -0.049 0.000 0.952 194 F CB 2.310 41.233 39.000 -0.128 0.000 1.307 194 F HN 0.593 nan 8.300 nan 0.000 0.450 195 G N -0.118 108.869 108.800 0.312 0.000 2.623 195 G HA2 0.229 4.189 3.960 -0.001 0.000 0.214 195 G HA3 0.229 4.189 3.960 -0.001 0.000 0.214 195 G C 0.846 175.886 174.900 0.233 0.000 1.138 195 G CA 0.796 46.111 45.100 0.359 0.000 0.794 195 G HN 0.711 nan 8.290 nan 0.000 0.535 196 S N -0.700 115.043 115.700 0.072 0.000 1.694 196 S HA -0.256 4.214 4.470 -0.001 0.000 0.236 196 S C 0.950 175.445 174.600 -0.175 0.000 0.821 196 S CA 1.481 59.594 58.200 -0.145 0.000 1.530 196 S CB -1.262 61.775 63.200 -0.272 0.000 1.703 196 S HN 0.665 nan 8.310 nan 0.000 0.517 197 H N 1.907 120.989 119.070 0.020 0.000 2.745 197 H HA 0.336 4.891 4.556 -0.001 0.000 0.373 197 H C 0.430 175.682 175.328 -0.128 0.000 1.226 197 H CA 0.883 56.864 56.048 -0.112 0.000 1.435 197 H CB 0.042 29.615 29.762 -0.315 0.000 1.461 197 H HN 0.367 nan 8.280 nan 0.000 0.616 198 T N 2.589 117.135 114.554 -0.013 0.000 2.771 198 T HA 0.280 4.630 4.350 -0.001 0.000 0.291 198 T C -0.171 174.540 174.700 0.018 0.000 0.954 198 T CA -0.190 61.909 62.100 -0.002 0.000 1.045 198 T CB 0.027 69.003 68.868 0.179 0.000 0.917 198 T HN 0.289 nan 8.240 nan 0.000 0.484 199 Y N 0.967 121.385 120.300 0.197 0.000 2.782 199 Y HA 0.640 5.190 4.550 -0.001 0.000 0.329 199 Y C 0.922 177.023 175.900 0.335 0.000 1.192 199 Y CA -0.858 57.419 58.100 0.294 0.000 1.216 199 Y CB 1.183 39.868 38.460 0.375 0.000 1.447 199 Y HN 0.636 nan 8.280 nan 0.000 0.616 200 S N -0.097 115.874 115.700 0.453 0.000 2.549 200 S HA 0.688 5.157 4.470 -0.001 0.000 0.280 200 S C -1.698 173.083 174.600 0.301 0.000 1.109 200 S CA -0.740 57.638 58.200 0.296 0.000 0.905 200 S CB 1.431 64.757 63.200 0.209 0.000 1.081 200 S HN 0.269 nan 8.310 nan 0.000 0.477 201 F N 1.612 121.633 119.950 0.119 0.000 2.480 201 F HA 0.659 5.186 4.527 -0.001 0.000 0.329 201 F C -0.219 175.663 175.800 0.137 0.000 1.091 201 F CA -2.026 56.045 58.000 0.119 0.000 0.972 201 F CB 1.770 40.847 39.000 0.128 0.000 1.150 201 F HN 0.502 nan 8.300 nan 0.000 0.467 202 I N 3.896 124.620 120.570 0.257 0.000 2.478 202 I HA 0.200 4.370 4.170 -0.001 0.000 0.287 202 I C -0.431 175.763 176.117 0.128 0.000 1.042 202 I CA -0.835 60.562 61.300 0.162 0.000 1.067 202 I CB 1.521 39.566 38.000 0.074 0.000 1.233 202 I HN 0.510 nan 8.210 nan 0.000 0.431 203 N N 5.631 124.434 118.700 0.173 0.000 2.491 203 N HA 0.219 4.959 4.740 -0.001 0.000 0.279 203 N C 0.672 176.219 175.510 0.061 0.000 1.236 203 N CA -0.702 52.412 53.050 0.107 0.000 0.982 203 N CB 0.985 39.566 38.487 0.156 0.000 1.194 203 N HN 0.525 nan 8.380 nan 0.000 0.582 204 K N -1.094 119.324 120.400 0.031 0.000 2.160 204 K HA -0.143 4.177 4.320 -0.001 0.000 0.206 204 K C -0.260 176.346 176.600 0.009 0.000 1.047 204 K CA 1.514 57.807 56.287 0.011 0.000 0.930 204 K CB -0.147 32.351 32.500 -0.004 0.000 0.720 204 K HN 0.511 nan 8.250 nan 0.000 0.450 205 D N 1.016 121.431 120.400 0.025 0.000 2.370 205 D HA 0.008 4.648 4.640 -0.001 0.000 0.230 205 D C -0.322 175.985 176.300 0.012 0.000 1.143 205 D CA 0.120 54.130 54.000 0.016 0.000 0.834 205 D CB 0.082 40.896 40.800 0.022 0.000 0.944 205 D HN 0.232 nan 8.370 nan 0.000 0.504 206 N N 1.419 120.128 118.700 0.016 0.000 2.747 206 N HA -0.178 4.561 4.740 -0.001 0.000 0.249 206 N C -0.591 174.906 175.510 -0.022 0.000 1.107 206 N CA 0.764 53.816 53.050 0.002 0.000 0.707 206 N CB -0.919 37.562 38.487 -0.010 0.000 1.054 206 N HN 0.521 nan 8.380 nan 0.000 0.555 207 E N 0.491 120.690 120.200 -0.003 0.000 2.216 207 E HA 0.316 4.666 4.350 -0.001 0.000 0.279 207 E C 0.413 176.915 176.600 -0.164 0.000 0.997 207 E CA -0.576 55.756 56.400 -0.113 0.000 0.817 207 E CB 1.820 31.466 29.700 -0.089 0.000 1.096 207 E HN 0.162 nan 8.360 nan 0.000 0.393 208 R N 2.953 123.224 120.500 -0.381 0.000 2.407 208 R HA 0.436 4.776 4.340 -0.001 0.000 0.303 208 R C -1.447 174.423 176.300 -0.716 0.000 0.981 208 R CA -0.315 55.547 56.100 -0.396 0.000 0.905 208 R CB 0.591 30.636 30.300 -0.425 0.000 1.099 208 R HN 0.345 nan 8.270 nan 0.000 0.459 209 F N 2.945 122.748 119.950 -0.245 0.000 2.540 209 F HA 0.409 4.935 4.527 -0.001 0.000 0.317 209 F C -0.788 174.875 175.800 -0.229 0.000 1.104 209 F CA -0.622 57.248 58.000 -0.217 0.000 0.913 209 F CB 1.242 40.237 39.000 -0.008 0.000 1.170 209 F HN 0.455 nan 8.300 nan 0.000 0.450 210 W N 3.081 124.521 121.300 0.234 0.000 2.272 210 W HA 0.634 5.293 4.660 -0.001 0.000 0.318 210 W C -0.456 176.173 176.519 0.183 0.000 1.255 210 W CA -0.845 56.648 57.345 0.248 0.000 1.200 210 W CB 1.267 30.931 29.460 0.339 0.000 1.170 210 W HN 0.315 nan 8.180 nan 0.000 0.549 211 V N 4.219 124.263 119.914 0.216 0.000 3.007 211 V HA 0.541 4.660 4.120 -0.001 0.000 0.311 211 V C -1.057 174.759 176.094 -0.464 0.000 1.120 211 V CA -1.155 60.984 62.300 -0.269 0.000 0.980 211 V CB 2.150 33.426 31.823 -0.913 0.000 1.033 211 V HN 0.377 nan 8.190 nan 0.000 0.429 212 K N 4.669 124.706 120.400 -0.606 0.000 2.345 212 K HA 0.525 4.844 4.320 -0.001 0.000 0.255 212 K C -1.513 174.840 176.600 -0.412 0.000 0.934 212 K CA -0.161 55.812 56.287 -0.524 0.000 0.801 212 K CB 1.911 34.057 32.500 -0.590 0.000 1.137 212 K HN 0.551 nan 8.250 nan 0.000 0.424 213 F N 2.165 122.073 119.950 -0.070 0.000 2.404 213 F HA 0.342 4.868 4.527 -0.001 0.000 0.339 213 F C 0.885 176.542 175.800 -0.239 0.000 1.105 213 F CA -0.299 57.662 58.000 -0.065 0.000 1.087 213 F CB 1.059 40.083 39.000 0.039 0.000 1.143 213 F HN 0.272 nan 8.300 nan 0.000 0.491 214 H N 2.926 121.953 119.070 -0.072 0.000 2.840 214 H HA 0.234 4.789 4.556 -0.001 0.000 0.340 214 H C -1.562 173.534 175.328 -0.386 0.000 1.004 214 H CA -0.701 55.224 56.048 -0.205 0.000 1.288 214 H CB 1.689 31.376 29.762 -0.125 0.000 1.607 214 H HN 0.548 nan 8.280 nan 0.000 0.522 215 Y N 2.362 122.609 120.300 -0.088 0.000 2.478 215 Y HA 0.246 4.795 4.550 -0.001 0.000 0.329 215 Y C 0.695 176.690 175.900 0.159 0.000 0.967 215 Y CA -0.726 57.453 58.100 0.131 0.000 1.255 215 Y CB 0.749 39.303 38.460 0.157 0.000 1.103 215 Y HN 0.295 nan 8.280 nan 0.000 0.497 216 R N 1.879 122.540 120.500 0.269 0.000 2.267 216 R HA 0.171 4.511 4.340 -0.001 0.000 0.319 216 R C -0.335 176.180 176.300 0.358 0.000 1.067 216 R CA -0.402 55.841 56.100 0.239 0.000 0.936 216 R CB 1.001 31.340 30.300 0.065 0.000 1.006 216 R HN 0.688 nan 8.270 nan 0.000 0.452 217 C N 3.966 123.558 119.300 0.487 0.000 2.651 217 C HA 0.037 4.496 4.460 -0.001 0.000 0.410 217 C C 1.405 176.291 174.990 -0.174 0.000 1.372 217 C CA -0.227 58.710 59.018 -0.134 0.000 1.707 217 C CB -0.072 27.551 27.740 -0.196 0.000 2.501 217 C HN 0.667 nan 8.230 nan 0.000 0.598 218 Q N 3.059 122.628 119.800 -0.385 0.000 2.360 218 Q HA 0.047 4.386 4.340 -0.001 0.000 0.202 218 Q C 1.230 177.103 176.000 -0.211 0.000 0.915 218 Q CA 0.680 56.342 55.803 -0.235 0.000 0.943 218 Q CB 0.262 28.856 28.738 -0.239 0.000 1.064 218 Q HN 0.808 nan 8.270 nan 0.000 0.511 219 Q N -0.434 119.215 119.800 -0.251 0.000 2.352 219 Q HA 0.322 4.661 4.340 -0.001 0.000 0.212 219 Q C 0.308 176.367 176.000 0.097 0.000 0.888 219 Q CA 0.580 56.328 55.803 -0.091 0.000 0.934 219 Q CB 1.141 29.735 28.738 -0.241 0.000 1.093 219 Q HN 0.351 nan 8.270 nan 0.000 0.523 220 G N 0.507 109.322 108.800 0.024 0.000 2.690 220 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.686 220 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.686 220 G C -0.929 174.009 174.900 0.063 0.000 1.277 220 G CA -0.944 44.181 45.100 0.040 0.000 0.799 220 G HN 0.045 nan 8.290 nan 0.000 0.613 221 I N 1.352 121.916 120.570 -0.010 0.000 2.325 221 I HA 0.369 4.539 4.170 -0.001 0.000 0.291 221 I C 0.672 176.767 176.117 -0.036 0.000 1.019 221 I CA 0.096 61.385 61.300 -0.019 0.000 1.302 221 I CB 1.047 39.024 38.000 -0.039 0.000 1.401 221 I HN 0.435 nan 8.210 nan 0.000 0.485 222 K N 6.224 126.594 120.400 -0.049 0.000 2.426 222 K HA 0.498 4.818 4.320 -0.001 0.000 0.254 222 K C -0.807 175.742 176.600 -0.084 0.000 0.936 222 K CA -0.835 55.346 56.287 -0.176 0.000 0.801 222 K CB 2.411 34.597 32.500 -0.523 0.000 1.139 222 K HN 0.459 nan 8.250 nan 0.000 0.424 223 N N 2.280 120.938 118.700 -0.071 0.000 2.453 223 N HA 0.533 5.272 4.740 -0.001 0.000 0.290 223 N C -0.915 174.570 175.510 -0.042 0.000 1.250 223 N CA -0.688 52.344 53.050 -0.030 0.000 0.815 223 N CB 1.578 40.060 38.487 -0.009 0.000 1.381 223 N HN 0.277 nan 8.380 nan 0.000 0.510 224 L N 1.374 122.586 121.223 -0.018 0.000 2.346 224 L HA 0.460 4.800 4.340 -0.001 0.000 0.276 224 L C -0.054 176.809 176.870 -0.011 0.000 1.006 224 L CA -0.767 54.061 54.840 -0.020 0.000 0.817 224 L CB 1.499 43.553 42.059 -0.010 0.000 1.272 224 L HN 0.263 nan 8.230 nan 0.000 0.421 225 M N 1.173 120.763 119.600 -0.016 0.000 2.247 225 M HA 0.121 4.600 4.480 -0.001 0.000 0.326 225 M C 1.017 177.316 176.300 -0.002 0.000 1.134 225 M CA -0.138 55.155 55.300 -0.012 0.000 1.136 225 M CB 0.668 33.257 32.600 -0.020 0.000 1.454 225 M HN 0.517 nan 8.290 nan 0.000 0.467 226 D N 1.442 121.845 120.400 0.005 0.000 2.133 226 D HA -0.233 4.407 4.640 -0.001 0.000 0.192 226 D C 1.305 177.611 176.300 0.010 0.000 1.001 226 D CA 2.028 56.037 54.000 0.014 0.000 0.844 226 D CB -0.194 40.618 40.800 0.019 0.000 0.944 226 D HN 0.652 nan 8.370 nan 0.000 0.447 227 D N 1.052 121.455 120.400 0.004 0.000 2.117 227 D HA -0.188 4.451 4.640 -0.001 0.000 0.197 227 D C 1.606 177.906 176.300 0.001 0.000 0.987 227 D CA 0.978 54.979 54.000 0.003 0.000 0.829 227 D CB -0.611 40.188 40.800 -0.001 0.000 0.961 227 D HN 0.352 nan 8.370 nan 0.000 0.460 228 E N 1.012 121.210 120.200 -0.004 0.000 2.106 228 E HA -0.029 4.321 4.350 -0.001 0.000 0.192 228 E C 2.343 178.941 176.600 -0.002 0.000 0.984 228 E CA 1.008 57.404 56.400 -0.007 0.000 0.806 228 E CB -0.165 29.526 29.700 -0.015 0.000 0.750 228 E HN 0.395 nan 8.360 nan 0.000 0.458 229 A N 1.717 124.538 122.820 0.002 0.000 1.902 229 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 229 A C 1.983 179.573 177.584 0.010 0.000 1.181 229 A CA 1.354 53.396 52.037 0.007 0.000 0.623 229 A CB -0.357 18.652 19.000 0.015 0.000 0.818 229 A HN 0.143 nan 8.150 nan 0.000 0.443 230 E N -0.297 119.910 120.200 0.012 0.000 2.077 230 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 230 E C 2.349 178.954 176.600 0.010 0.000 0.989 230 E CA 0.963 57.371 56.400 0.013 0.000 0.800 230 E CB -0.281 29.427 29.700 0.014 0.000 0.746 230 E HN 0.620 nan 8.360 nan 0.000 0.452 231 A N 1.284 124.108 122.820 0.006 0.000 1.902 231 A HA -0.170 4.150 4.320 -0.001 0.000 0.217 231 A C 2.161 179.747 177.584 0.005 0.000 1.181 231 A CA 1.032 53.072 52.037 0.005 0.000 0.623 231 A CB -0.502 18.499 19.000 0.002 0.000 0.818 231 A HN 0.213 nan 8.150 nan 0.000 0.443 232 L N -0.057 121.168 121.223 0.004 0.000 2.056 232 L HA -0.085 4.255 4.340 -0.001 0.000 0.207 232 L C 2.360 179.233 176.870 0.006 0.000 1.078 232 L CA 1.832 56.675 54.840 0.004 0.000 0.749 232 L CB -0.522 41.538 42.059 0.002 0.000 0.901 232 L HN 0.148 nan 8.230 nan 0.000 0.433 233 V N -0.011 119.908 119.914 0.009 0.000 2.427 233 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 233 V C 2.587 178.687 176.094 0.011 0.000 1.051 233 V CA 1.626 63.933 62.300 0.011 0.000 1.048 233 V CB -1.521 30.311 31.823 0.016 0.000 0.666 233 V HN 0.626 nan 8.190 nan 0.000 0.456 234 G N -0.447 108.359 108.800 0.010 0.000 2.448 234 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.219 234 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.219 234 G C 1.665 176.570 174.900 0.008 0.000 1.127 234 G CA 0.632 45.738 45.100 0.009 0.000 0.766 234 G HN 0.495 nan 8.290 nan 0.000 0.552 235 K N -0.999 119.406 120.400 0.007 0.000 2.308 235 K HA 0.121 4.441 4.320 -0.001 0.000 0.197 235 K C -0.426 176.179 176.600 0.007 0.000 1.049 235 K CA 0.268 56.559 56.287 0.007 0.000 0.991 235 K CB 0.611 33.115 32.500 0.007 0.000 0.836 235 K HN 0.124 nan 8.250 nan 0.000 0.500 236 D N -0.495 119.909 120.400 0.007 0.000 2.738 236 D HA 0.182 4.822 4.640 -0.001 0.000 0.218 236 D C -0.215 176.089 176.300 0.006 0.000 1.345 236 D CA -0.248 53.755 54.000 0.006 0.000 0.943 236 D CB 1.255 42.059 40.800 0.007 0.000 1.514 236 D HN -0.288 nan 8.370 nan 0.000 0.585 237 R N 1.083 121.587 120.500 0.007 0.000 2.240 237 R HA 0.139 4.479 4.340 -0.001 0.000 0.203 237 R C 0.555 176.861 176.300 0.010 0.000 1.011 237 R CA 0.788 56.895 56.100 0.011 0.000 1.007 237 R CB 0.352 30.660 30.300 0.013 0.000 0.911 237 R HN 0.313 nan 8.270 nan 0.000 0.468 238 E N -0.504 119.699 120.200 0.004 0.000 2.499 238 E HA 0.083 4.433 4.350 -0.001 0.000 0.207 238 E C 0.722 177.325 176.600 0.005 0.000 1.034 238 E CA 0.136 56.538 56.400 0.004 0.000 1.098 238 E CB 0.588 30.281 29.700 -0.012 0.000 1.148 238 E HN 0.227 nan 8.360 nan 0.000 0.447 239 S N -0.315 115.383 115.700 -0.003 0.000 2.370 239 S HA -0.169 4.300 4.470 -0.001 0.000 0.226 239 S C 2.040 176.630 174.600 -0.017 0.000 1.033 239 S CA 1.396 59.594 58.200 -0.004 0.000 1.011 239 S CB -0.147 63.048 63.200 -0.008 0.000 0.852 239 S HN 0.107 nan 8.310 nan 0.000 0.457 240 S N 1.668 117.317 115.700 -0.086 0.000 2.368 240 S HA -0.098 4.371 4.470 -0.001 0.000 0.224 240 S C 2.067 176.678 174.600 0.018 0.000 1.029 240 S CA 1.307 59.389 58.200 -0.196 0.000 0.988 240 S CB -0.509 62.275 63.200 -0.693 0.000 0.838 240 S HN 0.668 nan 8.310 nan 0.000 0.462 241 Q N 2.022 121.881 119.800 0.098 0.000 2.084 241 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 241 Q C 2.050 178.155 176.000 0.174 0.000 0.978 241 Q CA 1.744 57.657 55.803 0.183 0.000 0.844 241 Q CB -0.331 28.471 28.738 0.106 0.000 0.898 241 Q HN 0.420 nan 8.270 nan 0.000 0.426 242 R N 0.131 120.695 120.500 0.106 0.000 2.073 242 R HA -0.158 4.182 4.340 -0.001 0.000 0.234 242 R C 1.883 178.290 176.300 0.179 0.000 1.134 242 R CA 2.060 58.233 56.100 0.122 0.000 0.952 242 R CB -0.757 29.584 30.300 0.068 0.000 0.850 242 R HN 0.540 nan 8.270 nan 0.000 0.433 243 D N -0.434 120.049 120.400 0.139 0.000 2.092 243 D HA -0.201 4.439 4.640 -0.001 0.000 0.193 243 D C 1.922 178.326 176.300 0.173 0.000 0.994 243 D CA 1.449 55.534 54.000 0.141 0.000 0.828 243 D CB -0.082 40.784 40.800 0.110 0.000 0.963 243 D HN 0.256 nan 8.370 nan 0.000 0.450 244 L N -0.516 120.836 121.223 0.215 0.000 1.994 244 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 244 L C 2.205 179.232 176.870 0.261 0.000 1.071 244 L CA 1.291 56.282 54.840 0.251 0.000 0.745 244 L CB -0.513 41.759 42.059 0.355 0.000 0.892 244 L HN 0.209 nan 8.230 nan 0.000 0.431 245 F N 1.152 121.196 119.950 0.156 0.000 2.095 245 F HA -0.273 4.254 4.527 -0.001 0.000 0.298 245 F C 2.473 178.351 175.800 0.129 0.000 1.104 245 F CA 1.951 60.038 58.000 0.145 0.000 1.232 245 F CB -0.079 38.998 39.000 0.128 0.000 0.987 245 F HN 0.139 nan 8.300 nan 0.000 0.475 246 E N -0.023 120.364 120.200 0.312 0.000 2.150 246 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 246 E C 2.317 178.970 176.600 0.088 0.000 0.985 246 E CA 0.827 57.342 56.400 0.191 0.000 0.814 246 E CB -0.360 29.458 29.700 0.196 0.000 0.752 246 E HN 0.520 nan 8.360 nan 0.000 0.466 247 A N 1.351 124.230 122.820 0.098 0.000 1.873 247 A HA -0.136 4.184 4.320 -0.001 0.000 0.215 247 A C 2.153 179.783 177.584 0.077 0.000 1.186 247 A CA 0.924 53.005 52.037 0.074 0.000 0.616 247 A CB -0.474 18.573 19.000 0.077 0.000 0.823 247 A HN 0.121 nan 8.150 nan 0.000 0.442 248 I N -0.656 119.973 120.570 0.098 0.000 2.394 248 I HA -0.201 3.969 4.170 -0.001 0.000 0.251 248 I C 2.495 178.676 176.117 0.107 0.000 1.136 248 I CA 1.489 62.898 61.300 0.182 0.000 1.425 248 I CB -0.297 37.768 38.000 0.109 0.000 1.079 248 I HN 0.531 nan 8.210 nan 0.000 0.425 249 E N 1.890 122.050 120.200 -0.066 0.000 2.106 249 E HA -0.222 4.127 4.350 -0.001 0.000 0.192 249 E C 2.104 178.700 176.600 -0.007 0.000 0.984 249 E CA 0.894 57.239 56.400 -0.092 0.000 0.806 249 E CB 0.113 29.715 29.700 -0.163 0.000 0.750 249 E HN 0.503 nan 8.360 nan 0.000 0.458 250 R N -1.051 119.447 120.500 -0.004 0.000 2.334 250 R HA 0.173 4.513 4.340 -0.001 0.000 0.220 250 R C 1.052 177.299 176.300 -0.088 0.000 0.917 250 R CA 0.706 56.793 56.100 -0.021 0.000 1.073 250 R CB 0.338 30.635 30.300 -0.006 0.000 1.056 250 R HN 0.161 nan 8.270 nan 0.000 0.506 251 G N 0.989 109.702 108.800 -0.145 0.000 2.141 251 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.242 251 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.242 251 G C -0.573 173.948 174.900 -0.632 0.000 0.982 251 G CA 0.114 44.914 45.100 -0.499 0.000 0.662 251 G HN 0.419 nan 8.290 nan 0.000 0.527 252 D N 0.957 121.192 120.400 -0.276 0.000 2.741 252 D HA 0.312 4.951 4.640 -0.001 0.000 0.233 252 D C 0.160 176.454 176.300 -0.010 0.000 1.160 252 D CA -0.301 53.606 54.000 -0.154 0.000 1.003 252 D CB -0.243 40.525 40.800 -0.053 0.000 1.064 252 D HN 0.295 nan 8.370 nan 0.000 0.503 253 Y N 2.257 122.564 120.300 0.011 0.000 2.713 253 Y HA 0.118 4.668 4.550 -0.001 0.000 0.341 253 Y C -1.439 174.457 175.900 -0.008 0.000 1.167 253 Y CA -2.761 55.360 58.100 0.035 0.000 1.503 253 Y CB -0.738 37.764 38.460 0.070 0.000 1.199 253 Y HN 0.163 nan 8.280 nan 0.000 0.525 254 P HA 0.230 nan 4.420 nan 0.000 0.272 254 P C -0.319 176.914 177.300 -0.111 0.000 1.223 254 P CA -0.392 62.640 63.100 -0.113 0.000 0.784 254 P CB 1.511 33.161 31.700 -0.082 0.000 0.923 255 R N 1.919 122.132 120.500 -0.479 0.000 2.771 255 R HA 0.539 4.879 4.340 -0.001 0.000 0.274 255 R C -1.617 174.321 176.300 -0.605 0.000 0.987 255 R CA -0.656 55.269 56.100 -0.292 0.000 0.908 255 R CB 1.744 31.973 30.300 -0.119 0.000 1.213 255 R HN 0.531 nan 8.270 nan 0.000 0.468 256 W N 2.825 123.953 121.300 -0.287 0.000 2.998 256 W HA 0.399 5.058 4.660 -0.001 0.000 0.335 256 W C -0.709 175.863 176.519 0.089 0.000 1.110 256 W CA -0.798 56.475 57.345 -0.120 0.000 1.230 256 W CB 2.336 31.701 29.460 -0.159 0.000 1.405 256 W HN 0.341 nan 8.180 nan 0.000 0.493 257 K N 2.741 123.354 120.400 0.355 0.000 2.185 257 K HA 0.390 4.709 4.320 -0.001 0.000 0.269 257 K C -0.604 176.198 176.600 0.336 0.000 0.987 257 K CA -1.108 55.386 56.287 0.343 0.000 0.865 257 K CB 2.274 34.888 32.500 0.190 0.000 1.090 257 K HN 0.177 nan 8.250 nan 0.000 0.450 258 L N 3.494 124.946 121.223 0.381 0.000 2.278 258 L HA 0.174 4.514 4.340 -0.001 0.000 0.287 258 L C -0.763 176.176 176.870 0.114 0.000 1.072 258 L CA 0.509 55.453 54.840 0.172 0.000 0.819 258 L CB 0.600 42.904 42.059 0.408 0.000 1.176 258 L HN 0.546 nan 8.230 nan 0.000 0.435 259 Q N 5.795 125.604 119.800 0.014 0.000 2.394 259 Q HA 0.723 5.062 4.340 -0.001 0.000 0.273 259 Q C -1.043 174.965 176.000 0.014 0.000 1.089 259 Q CA -0.763 55.036 55.803 -0.008 0.000 0.812 259 Q CB 2.956 31.652 28.738 -0.071 0.000 1.353 259 Q HN 0.777 nan 8.270 nan 0.000 0.438 260 I N -2.315 118.232 120.570 -0.038 0.000 2.934 260 I HA 0.533 4.702 4.170 -0.001 0.000 0.306 260 I C -1.152 174.908 176.117 -0.096 0.000 1.110 260 I CA -1.145 60.114 61.300 -0.067 0.000 1.019 260 I CB 2.297 40.198 38.000 -0.164 0.000 1.227 260 I HN 0.454 nan 8.210 nan 0.000 0.434 261 Q N 3.597 123.359 119.800 -0.063 0.000 2.331 261 Q HA 0.605 4.944 4.340 -0.001 0.000 0.267 261 Q C -1.289 174.762 176.000 0.085 0.000 1.006 261 Q CA -0.829 55.018 55.803 0.073 0.000 0.818 261 Q CB 2.951 31.850 28.738 0.267 0.000 1.276 261 Q HN 0.471 nan 8.270 nan 0.000 0.450 262 I N 3.076 123.679 120.570 0.056 0.000 2.433 262 I HA 0.430 4.600 4.170 -0.001 0.000 0.292 262 I C -0.516 175.639 176.117 0.064 0.000 1.001 262 I CA -0.480 60.790 61.300 -0.051 0.000 1.119 262 I CB 1.724 39.428 38.000 -0.493 0.000 1.289 262 I HN 0.694 nan 8.210 nan 0.000 0.438 263 M N 8.728 128.368 119.600 0.067 0.000 2.124 263 M HA 0.460 4.939 4.480 -0.001 0.000 0.280 263 M C -2.771 173.621 176.300 0.154 0.000 0.954 263 M CA -1.447 53.836 55.300 -0.028 0.000 0.958 263 M CB 2.442 34.698 32.600 -0.574 0.000 1.611 263 M HN 0.104 nan 8.290 nan 0.000 0.449 264 P HA 0.003 nan 4.420 nan 0.000 0.266 264 P C 0.154 177.396 177.300 -0.096 0.000 1.195 264 P CA 0.364 63.469 63.100 0.008 0.000 0.768 264 P CB 0.549 32.287 31.700 0.063 0.000 0.838 265 E N 4.165 124.163 120.200 -0.338 0.000 2.108 265 E HA -0.343 4.006 4.350 -0.001 0.000 0.203 265 E C 1.434 178.064 176.600 0.051 0.000 1.022 265 E CA 2.235 58.489 56.400 -0.243 0.000 0.823 265 E CB -0.097 29.378 29.700 -0.375 0.000 0.744 265 E HN 0.457 nan 8.360 nan 0.000 0.456 266 K N 0.187 120.574 120.400 -0.021 0.000 2.147 266 K HA -0.167 4.152 4.320 -0.001 0.000 0.205 266 K C 1.884 178.504 176.600 0.033 0.000 1.049 266 K CA 1.739 58.036 56.287 0.016 0.000 0.936 266 K CB -0.210 32.282 32.500 -0.013 0.000 0.722 266 K HN 0.194 nan 8.250 nan 0.000 0.446 267 E N 0.851 121.071 120.200 0.034 0.000 2.333 267 E HA -0.128 4.221 4.350 -0.001 0.000 0.198 267 E C 2.041 178.612 176.600 -0.049 0.000 1.007 267 E CA 0.691 57.096 56.400 0.007 0.000 0.845 267 E CB -0.131 29.594 29.700 0.042 0.000 0.766 267 E HN 0.534 nan 8.360 nan 0.000 0.507 268 A N 1.475 124.309 122.820 0.023 0.000 1.940 268 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 268 A C 2.240 179.742 177.584 -0.138 0.000 1.176 268 A CA 1.770 53.752 52.037 -0.092 0.000 0.631 268 A CB -0.307 18.766 19.000 0.122 0.000 0.814 268 A HN 0.296 nan 8.150 nan 0.000 0.446 269 S N -2.930 112.745 115.700 -0.043 0.000 2.605 269 S HA 0.132 4.601 4.470 -0.001 0.000 0.217 269 S C 1.102 175.652 174.600 -0.084 0.000 0.958 269 S CA 0.824 58.991 58.200 -0.056 0.000 0.919 269 S CB 0.069 63.266 63.200 -0.005 0.000 0.780 269 S HN 0.323 nan 8.310 nan 0.000 0.507 270 T N 0.985 115.474 114.554 -0.108 0.000 2.990 270 T HA 0.337 4.686 4.350 -0.001 0.000 0.250 270 T C 0.311 174.913 174.700 -0.164 0.000 1.041 270 T CA -0.018 62.020 62.100 -0.103 0.000 1.010 270 T CB 0.241 69.071 68.868 -0.064 0.000 1.003 270 T HN 0.229 nan 8.240 nan 0.000 0.499 271 V N 4.440 124.188 119.914 -0.278 0.000 2.614 271 V HA 0.207 4.327 4.120 -0.001 0.000 0.291 271 V C -1.145 174.661 176.094 -0.480 0.000 1.049 271 V CA -1.480 60.531 62.300 -0.481 0.000 1.038 271 V CB 1.698 33.040 31.823 -0.801 0.000 0.980 271 V HN 0.269 nan 8.190 nan 0.000 0.481 272 P HA -0.045 nan 4.420 nan 0.000 0.234 272 P C -0.404 176.849 177.300 -0.078 0.000 1.167 272 P CA 1.005 64.014 63.100 -0.152 0.000 0.763 272 P CB -0.051 31.651 31.700 0.003 0.000 0.835 273 Y N -2.127 118.137 120.300 -0.059 0.000 2.686 273 Y HA 0.673 5.222 4.550 -0.001 0.000 0.330 273 Y C 0.154 175.997 175.900 -0.095 0.000 1.082 273 Y CA -2.021 56.046 58.100 -0.054 0.000 1.158 273 Y CB -0.306 38.140 38.460 -0.024 0.000 1.333 273 Y HN -0.376 nan 8.280 nan 0.000 0.519 274 N N 2.800 121.583 118.700 0.138 0.000 2.469 274 N HA 0.268 5.008 4.740 -0.001 0.000 0.239 274 N C -2.044 173.489 175.510 0.037 0.000 1.053 274 N CA -2.835 50.223 53.050 0.012 0.000 0.937 274 N CB 0.770 39.299 38.487 0.071 0.000 1.163 274 N HN 0.491 nan 8.380 nan 0.000 0.509 275 P HA 0.003 nan 4.420 nan 0.000 0.239 275 P C -0.281 176.843 177.300 -0.292 0.000 1.184 275 P CA 0.592 63.557 63.100 -0.223 0.000 0.760 275 P CB -0.108 31.136 31.700 -0.761 0.000 0.884 276 F N -0.783 119.215 119.950 0.079 0.000 2.698 276 F HA 0.290 4.817 4.527 -0.001 0.000 0.304 276 F C 0.653 176.473 175.800 0.032 0.000 1.108 276 F CA -1.342 56.652 58.000 -0.010 0.000 1.263 276 F CB -0.143 38.774 39.000 -0.138 0.000 1.013 276 F HN -0.175 nan 8.300 nan 0.000 0.532 277 D N 1.615 122.125 120.400 0.184 0.000 2.313 277 D HA 0.110 4.750 4.640 -0.001 0.000 0.239 277 D C 1.262 177.630 176.300 0.113 0.000 1.142 277 D CA 0.107 54.194 54.000 0.145 0.000 0.847 277 D CB 1.154 42.035 40.800 0.135 0.000 1.082 277 D HN 0.199 nan 8.370 nan 0.000 0.480 278 L N 3.231 124.519 121.223 0.109 0.000 2.265 278 L HA -0.150 4.190 4.340 -0.001 0.000 0.215 278 L C 1.870 178.764 176.870 0.040 0.000 1.117 278 L CA 1.428 56.307 54.840 0.066 0.000 0.782 278 L CB -0.119 42.007 42.059 0.113 0.000 0.914 278 L HN 0.515 nan 8.230 nan 0.000 0.441 279 T N -4.049 110.550 114.554 0.075 0.000 3.129 279 T HA 0.075 4.424 4.350 -0.001 0.000 0.251 279 T C 0.684 175.451 174.700 0.111 0.000 1.117 279 T CA -0.100 62.042 62.100 0.070 0.000 1.034 279 T CB 0.134 69.070 68.868 0.113 0.000 0.968 279 T HN 0.134 nan 8.240 nan 0.000 0.526 280 K N -0.017 120.435 120.400 0.087 0.000 2.350 280 K HA 0.748 5.067 4.320 -0.001 0.000 0.241 280 K C -1.552 175.082 176.600 0.057 0.000 0.994 280 K CA -0.959 55.396 56.287 0.113 0.000 0.839 280 K CB 2.910 35.470 32.500 0.100 0.000 1.244 280 K HN -0.012 nan 8.250 nan 0.000 0.443 281 V N 1.215 121.178 119.914 0.081 0.000 2.864 281 V HA 0.460 4.579 4.120 -0.001 0.000 0.314 281 V C -1.403 174.795 176.094 0.174 0.000 1.073 281 V CA -0.743 61.599 62.300 0.070 0.000 0.956 281 V CB 1.338 33.204 31.823 0.071 0.000 1.023 281 V HN 0.609 nan 8.190 nan 0.000 0.435 282 W N 4.182 125.491 121.300 0.015 0.000 2.272 282 W HA 0.463 5.122 4.660 -0.001 0.000 0.318 282 W C -2.207 174.388 176.519 0.126 0.000 1.255 282 W CA -2.863 54.499 57.345 0.029 0.000 1.200 282 W CB -0.378 29.159 29.460 0.128 0.000 1.170 282 W HN 0.366 nan 8.180 nan 0.000 0.549 283 P HA -0.029 nan 4.420 nan 0.000 0.267 283 P C 0.637 178.151 177.300 0.356 0.000 1.209 283 P CA 0.382 63.614 63.100 0.221 0.000 0.763 283 P CB 0.639 32.406 31.700 0.112 0.000 0.816 284 H N 2.533 121.678 119.070 0.126 0.000 2.457 284 H HA -0.076 4.479 4.556 -0.001 0.000 0.294 284 H C 1.938 177.295 175.328 0.047 0.000 1.064 284 H CA 1.710 57.816 56.048 0.096 0.000 1.330 284 H CB -0.631 29.164 29.762 0.056 0.000 1.395 284 H HN 0.440 nan 8.280 nan 0.000 0.541 285 A N 0.674 123.581 122.820 0.146 0.000 1.877 285 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 285 A C 1.880 179.437 177.584 -0.046 0.000 1.186 285 A CA 1.998 54.061 52.037 0.044 0.000 0.620 285 A CB -0.225 18.794 19.000 0.032 0.000 0.822 285 A HN 0.323 nan 8.150 nan 0.000 0.443 286 D N -1.987 118.352 120.400 -0.101 0.000 2.162 286 D HA 0.021 4.661 4.640 -0.001 0.000 0.203 286 D C -0.412 175.457 176.300 -0.718 0.000 0.967 286 D CA 1.035 54.786 54.000 -0.415 0.000 0.840 286 D CB -0.108 40.399 40.800 -0.488 0.000 0.972 286 D HN 0.530 nan 8.370 nan 0.000 0.482 287 Y N 0.912 121.253 120.300 0.069 0.000 2.681 287 Y HA 0.302 4.852 4.550 -0.001 0.000 0.347 287 Y C -2.214 173.681 175.900 -0.008 0.000 1.029 287 Y CA -2.601 55.535 58.100 0.060 0.000 1.279 287 Y CB 1.399 39.951 38.460 0.153 0.000 1.096 287 Y HN -0.155 nan 8.280 nan 0.000 0.580 288 P HA 0.116 nan 4.420 nan 0.000 0.272 288 P C -0.264 176.947 177.300 -0.147 0.000 1.230 288 P CA -0.188 62.850 63.100 -0.103 0.000 0.788 288 P CB 1.712 33.376 31.700 -0.060 0.000 0.949 289 L N 2.076 123.133 121.223 -0.276 0.000 2.397 289 L HA 0.306 4.646 4.340 -0.001 0.000 0.271 289 L C 0.910 177.689 176.870 -0.153 0.000 1.148 289 L CA -0.020 54.663 54.840 -0.262 0.000 0.825 289 L CB -0.046 41.800 42.059 -0.357 0.000 1.117 289 L HN 0.280 nan 8.230 nan 0.000 0.456 290 M N 2.036 121.562 119.600 -0.124 0.000 2.465 290 M HA 0.355 4.834 4.480 -0.001 0.000 0.316 290 M C -0.979 175.250 176.300 -0.120 0.000 1.121 290 M CA -0.718 54.520 55.300 -0.103 0.000 0.934 290 M CB 2.133 34.703 32.600 -0.050 0.000 1.692 290 M HN 0.423 nan 8.290 nan 0.000 0.444 291 D N 1.353 121.621 120.400 -0.219 0.000 2.304 291 D HA 0.239 4.879 4.640 -0.001 0.000 0.250 291 D C 0.255 176.475 176.300 -0.133 0.000 1.107 291 D CA 0.048 53.889 54.000 -0.265 0.000 0.885 291 D CB 2.333 42.770 40.800 -0.605 0.000 1.192 291 D HN 0.305 nan 8.370 nan 0.000 0.436 292 V N 0.672 120.638 119.914 0.088 0.000 3.058 292 V HA 0.398 4.517 4.120 -0.001 0.000 0.233 292 V C 0.904 177.209 176.094 0.352 0.000 1.255 292 V CA 0.720 63.141 62.300 0.202 0.000 1.267 292 V CB 0.701 32.616 31.823 0.152 0.000 1.049 292 V HN 0.782 nan 8.190 nan 0.000 0.486 293 G N -0.498 108.527 108.800 0.374 0.000 2.356 293 G HA2 0.462 4.421 3.960 -0.001 0.000 0.281 293 G HA3 0.462 4.421 3.960 -0.001 0.000 0.281 293 G C -1.949 173.157 174.900 0.343 0.000 1.246 293 G CA 0.153 45.394 45.100 0.235 0.000 0.889 293 G HN 0.557 nan 8.290 nan 0.000 0.486 294 Y N -1.368 118.910 120.300 -0.036 0.000 2.656 294 Y HA 0.809 5.358 4.550 -0.001 0.000 0.334 294 Y C -1.337 174.752 175.900 0.314 0.000 1.179 294 Y CA -2.158 56.081 58.100 0.232 0.000 1.050 294 Y CB 1.146 39.683 38.460 0.128 0.000 1.308 294 Y HN 1.307 nan 8.280 nan 0.000 0.456 295 F N -0.034 120.252 119.950 0.559 0.000 2.577 295 F HA 0.847 5.374 4.527 -0.001 0.000 0.318 295 F C -1.151 174.975 175.800 0.544 0.000 1.065 295 F CA -1.124 57.158 58.000 0.471 0.000 0.929 295 F CB 2.433 41.821 39.000 0.646 0.000 1.237 295 F HN 0.776 nan 8.300 nan 0.000 0.468 296 E N 2.885 123.430 120.200 0.576 0.000 2.275 296 E HA 0.439 4.788 4.350 -0.001 0.000 0.270 296 E C -2.079 174.752 176.600 0.384 0.000 0.882 296 E CA -0.951 55.709 56.400 0.432 0.000 0.758 296 E CB 1.847 31.775 29.700 0.379 0.000 1.195 296 E HN 0.731 nan 8.360 nan 0.000 0.419 297 L N 4.762 126.212 121.223 0.378 0.000 2.283 297 L HA 0.258 4.597 4.340 -0.001 0.000 0.287 297 L C 0.363 177.234 176.870 0.002 0.000 1.073 297 L CA 0.042 55.024 54.840 0.236 0.000 0.822 297 L CB 0.381 42.639 42.059 0.332 0.000 1.186 297 L HN 0.615 nan 8.230 nan 0.000 0.436 298 N N 1.812 120.387 118.700 -0.209 0.000 2.160 298 N HA 0.167 4.907 4.740 -0.001 0.000 0.226 298 N C 0.057 175.342 175.510 -0.374 0.000 1.256 298 N CA -0.387 52.197 53.050 -0.777 0.000 0.890 298 N CB 0.565 38.413 38.487 -1.065 0.000 1.116 298 N HN 0.410 nan 8.380 nan 0.000 0.517 299 R N 0.239 120.699 120.500 -0.067 0.000 2.510 299 R HA 0.322 4.661 4.340 -0.001 0.000 0.287 299 R C -1.494 174.903 176.300 0.161 0.000 1.084 299 R CA -0.486 55.646 56.100 0.053 0.000 0.934 299 R CB 0.929 31.285 30.300 0.093 0.000 1.201 299 R HN 0.158 nan 8.270 nan 0.000 0.431 300 N N 3.964 122.723 118.700 0.099 0.000 2.508 300 N HA 0.195 4.935 4.740 -0.001 0.000 0.264 300 N C -2.437 173.260 175.510 0.312 0.000 1.216 300 N CA -1.114 52.030 53.050 0.158 0.000 0.943 300 N CB 0.797 39.259 38.487 -0.041 0.000 1.113 300 N HN 0.260 nan 8.380 nan 0.000 0.447 301 P HA 0.063 nan 4.420 nan 0.000 0.271 301 P C -0.446 177.054 177.300 0.334 0.000 1.218 301 P CA -0.003 63.367 63.100 0.449 0.000 0.780 301 P CB 0.711 32.629 31.700 0.362 0.000 0.901 302 D N -0.181 120.371 120.400 0.254 0.000 2.117 302 D HA -0.099 4.541 4.640 -0.001 0.000 0.198 302 D C 0.608 177.024 176.300 0.193 0.000 0.982 302 D CA 1.417 55.527 54.000 0.182 0.000 0.828 302 D CB 0.006 40.868 40.800 0.103 0.000 0.967 302 D HN 0.302 nan 8.370 nan 0.000 0.464 303 N N -0.828 117.987 118.700 0.192 0.000 2.480 303 N HA -0.024 4.715 4.740 -0.001 0.000 0.289 303 N C -0.299 175.343 175.510 0.220 0.000 1.073 303 N CA -0.354 52.815 53.050 0.198 0.000 0.885 303 N CB 0.883 39.464 38.487 0.157 0.000 1.421 303 N HN -0.049 nan 8.380 nan 0.000 0.503 304 Y N 4.448 124.838 120.300 0.150 0.000 2.114 304 Y HA -0.247 4.302 4.550 -0.001 0.000 0.282 304 Y C 1.699 177.675 175.900 0.127 0.000 1.165 304 Y CA 1.943 60.126 58.100 0.138 0.000 1.148 304 Y CB -0.191 38.345 38.460 0.126 0.000 0.972 304 Y HN 0.671 nan 8.280 nan 0.000 0.504 305 F N -0.068 119.940 119.950 0.098 0.000 2.113 305 F HA -0.176 4.350 4.527 -0.001 0.000 0.297 305 F C 2.483 178.233 175.800 -0.083 0.000 1.103 305 F CA 2.007 60.005 58.000 -0.004 0.000 1.248 305 F CB -0.675 38.368 39.000 0.072 0.000 0.999 305 F HN -0.041 nan 8.300 nan 0.000 0.475 306 S N -0.001 115.744 115.700 0.075 0.000 2.368 306 S HA -0.172 4.297 4.470 -0.001 0.000 0.224 306 S C 1.520 176.005 174.600 -0.192 0.000 1.029 306 S CA 1.561 59.735 58.200 -0.044 0.000 0.988 306 S CB -0.318 62.917 63.200 0.059 0.000 0.838 306 S HN 0.493 nan 8.310 nan 0.000 0.462 307 D N 0.074 120.371 120.400 -0.173 0.000 2.323 307 D HA 0.110 4.749 4.640 -0.001 0.000 0.218 307 D C 1.861 177.914 176.300 -0.412 0.000 0.973 307 D CA 0.647 54.482 54.000 -0.274 0.000 0.890 307 D CB 0.085 40.844 40.800 -0.069 0.000 1.011 307 D HN 0.270 nan 8.370 nan 0.000 0.499 308 V N 0.763 120.453 119.914 -0.373 0.000 2.521 308 V HA -0.050 4.070 4.120 -0.001 0.000 0.239 308 V C 2.316 178.144 176.094 -0.445 0.000 1.053 308 V CA 0.782 62.864 62.300 -0.362 0.000 1.073 308 V CB -0.122 31.351 31.823 -0.585 0.000 0.746 308 V HN -0.049 nan 8.190 nan 0.000 0.476 309 E N 1.021 120.834 120.200 -0.644 0.000 2.077 309 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 309 E C 2.114 178.445 176.600 -0.449 0.000 0.989 309 E CA 1.549 57.665 56.400 -0.473 0.000 0.800 309 E CB -0.234 29.195 29.700 -0.452 0.000 0.746 309 E HN 0.615 nan 8.360 nan 0.000 0.452 310 Q N -0.242 119.209 119.800 -0.581 0.000 2.415 310 Q HA 0.230 4.569 4.340 -0.001 0.000 0.206 310 Q C -0.299 175.476 176.000 -0.374 0.000 0.946 310 Q CA 0.149 55.665 55.803 -0.478 0.000 0.951 310 Q CB 0.419 28.849 28.738 -0.513 0.000 1.026 310 Q HN 0.194 nan 8.270 nan 0.000 0.510 311 A N 1.012 123.621 122.820 -0.351 0.000 2.450 311 A HA 0.512 4.831 4.320 -0.001 0.000 0.255 311 A C -0.200 177.170 177.584 -0.356 0.000 1.096 311 A CA -0.017 51.790 52.037 -0.384 0.000 0.778 311 A CB 0.350 19.215 19.000 -0.225 0.000 1.031 311 A HN 0.266 nan 8.150 nan 0.000 0.494 312 A N 2.625 125.112 122.820 -0.555 0.000 2.311 312 A HA 0.719 5.039 4.320 -0.001 0.000 0.306 312 A C -0.889 176.332 177.584 -0.605 0.000 1.189 312 A CA -0.379 51.243 52.037 -0.691 0.000 0.791 312 A CB 0.260 18.628 19.000 -1.053 0.000 1.172 312 A HN 0.631 nan 8.150 nan 0.000 0.481 313 F N 1.225 121.065 119.950 -0.183 0.000 2.492 313 F HA 0.765 5.291 4.527 -0.001 0.000 0.327 313 F C 0.783 176.635 175.800 0.087 0.000 1.079 313 F CA -0.322 57.619 58.000 -0.099 0.000 0.967 313 F CB 2.506 41.408 39.000 -0.163 0.000 1.169 313 F HN 0.478 nan 8.300 nan 0.000 0.472 314 S N 2.431 118.204 115.700 0.120 0.000 2.562 314 S HA 0.407 4.877 4.470 -0.001 0.000 0.274 314 S C -2.479 172.043 174.600 -0.129 0.000 1.160 314 S CA -1.216 56.943 58.200 -0.069 0.000 0.933 314 S CB 1.765 65.059 63.200 0.157 0.000 1.100 314 S HN 0.242 nan 8.310 nan 0.000 0.468 315 P HA 0.067 nan 4.420 nan 0.000 0.225 315 P C 1.182 178.625 177.300 0.238 0.000 1.148 315 P CA 0.979 64.080 63.100 0.001 0.000 0.779 315 P CB 0.105 31.764 31.700 -0.068 0.000 0.780 316 A N -0.749 122.140 122.820 0.115 0.000 2.067 316 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 316 A C 1.110 178.879 177.584 0.310 0.000 1.158 316 A CA 0.977 53.152 52.037 0.231 0.000 0.661 316 A CB -1.058 18.002 19.000 0.100 0.000 0.801 316 A HN 0.145 nan 8.150 nan 0.000 0.452 317 N N 1.204 120.035 118.700 0.218 0.000 2.605 317 N HA 0.353 5.093 4.740 -0.001 0.000 0.258 317 N C -0.226 175.444 175.510 0.267 0.000 1.156 317 N CA 0.225 53.385 53.050 0.185 0.000 1.008 317 N CB -0.041 38.504 38.487 0.097 0.000 1.354 317 N HN 0.676 nan 8.380 nan 0.000 0.509 318 I N -1.944 118.753 120.570 0.212 0.000 3.237 318 I HA 0.760 4.930 4.170 -0.001 0.000 0.308 318 I C 0.112 176.207 176.117 -0.037 0.000 1.093 318 I CA -1.297 60.069 61.300 0.110 0.000 1.001 318 I CB 1.715 39.667 38.000 -0.079 0.000 1.245 318 I HN -0.045 nan 8.210 nan 0.000 0.485 319 V N -2.295 117.494 119.914 -0.208 0.000 3.141 319 V HA 0.681 4.801 4.120 -0.001 0.000 0.312 319 V C -2.867 173.075 176.094 -0.253 0.000 1.157 319 V CA -2.503 59.662 62.300 -0.224 0.000 1.041 319 V CB 1.045 32.724 31.823 -0.241 0.000 1.071 319 V HN 0.628 nan 8.190 nan 0.000 0.441 320 P HA 0.376 nan 4.420 nan 0.000 0.265 320 P C 0.899 178.124 177.300 -0.124 0.000 1.193 320 P CA 1.983 64.985 63.100 -0.164 0.000 0.765 320 P CB 0.714 32.282 31.700 -0.222 0.000 0.823 321 G N 2.219 110.981 108.800 -0.065 0.000 2.213 321 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.236 321 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.236 321 G C -0.007 174.865 174.900 -0.047 0.000 0.991 321 G CA -0.332 44.728 45.100 -0.068 0.000 0.629 321 G HN 0.489 nan 8.290 nan 0.000 0.517 322 I N 0.614 121.128 120.570 -0.093 0.000 2.582 322 I HA 0.708 4.877 4.170 -0.001 0.000 0.292 322 I C 0.054 176.104 176.117 -0.111 0.000 1.066 322 I CA -0.634 60.659 61.300 -0.011 0.000 1.053 322 I CB 2.171 39.985 38.000 -0.310 0.000 1.241 322 I HN 0.151 nan 8.210 nan 0.000 0.421 323 S N 3.573 119.252 115.700 -0.034 0.000 2.973 323 S HA 0.703 5.172 4.470 -0.001 0.000 0.317 323 S C -0.887 173.621 174.600 -0.153 0.000 1.196 323 S CA -0.396 57.615 58.200 -0.314 0.000 0.894 323 S CB 0.910 63.989 63.200 -0.202 0.000 1.292 323 S HN 0.302 nan 8.310 nan 0.000 0.614 324 F N 1.833 121.942 119.950 0.264 0.000 2.363 324 F HA 0.786 5.312 4.527 -0.001 0.000 0.332 324 F C 1.033 176.956 175.800 0.206 0.000 1.039 324 F CA -0.030 58.083 58.000 0.187 0.000 1.127 324 F CB 0.149 39.192 39.000 0.072 0.000 1.701 324 F HN 0.664 nan 8.300 nan 0.000 0.532 325 S N -1.759 114.075 115.700 0.224 0.000 2.615 325 S HA 0.457 4.926 4.470 -0.001 0.000 0.269 325 S C -2.772 171.623 174.600 -0.341 0.000 1.161 325 S CA -1.106 57.038 58.200 -0.094 0.000 0.817 325 S CB 1.360 64.421 63.200 -0.232 0.000 1.131 325 S HN 0.143 nan 8.310 nan 0.000 0.467 326 P HA 0.097 nan 4.420 nan 0.000 0.239 326 P C -0.302 176.764 177.300 -0.390 0.000 1.184 326 P CA 0.411 63.164 63.100 -0.578 0.000 0.760 326 P CB -0.226 30.987 31.700 -0.811 0.000 0.884 327 D N 0.776 120.976 120.400 -0.334 0.000 2.554 327 D HA -0.103 4.536 4.640 -0.001 0.000 0.251 327 D C 1.000 177.228 176.300 -0.121 0.000 1.213 327 D CA 0.551 54.488 54.000 -0.105 0.000 0.900 327 D CB 0.650 41.418 40.800 -0.054 0.000 1.135 327 D HN 0.109 nan 8.370 nan 0.000 0.522 328 K N 3.584 123.956 120.400 -0.048 0.000 2.103 328 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 328 K C 2.002 178.581 176.600 -0.036 0.000 1.048 328 K CA 0.939 57.206 56.287 -0.033 0.000 0.930 328 K CB 0.022 32.533 32.500 0.018 0.000 0.716 328 K HN 0.505 nan 8.250 nan 0.000 0.444 329 M N 0.751 120.353 119.600 0.003 0.000 2.132 329 M HA -0.123 4.357 4.480 -0.001 0.000 0.263 329 M C 2.284 178.503 176.300 -0.135 0.000 1.065 329 M CA 1.339 56.661 55.300 0.036 0.000 1.122 329 M CB -0.794 31.937 32.600 0.218 0.000 1.365 329 M HN 0.234 nan 8.290 nan 0.000 0.411 330 L N 0.158 121.129 121.223 -0.421 0.000 2.017 330 L HA -0.254 4.085 4.340 -0.001 0.000 0.208 330 L C 2.654 179.301 176.870 -0.371 0.000 1.073 330 L CA 1.356 55.772 54.840 -0.707 0.000 0.745 330 L CB -0.329 41.217 42.059 -0.857 0.000 0.894 330 L HN 0.354 nan 8.230 nan 0.000 0.432 331 Q N -0.420 119.216 119.800 -0.273 0.000 2.112 331 Q HA -0.207 4.133 4.340 -0.001 0.000 0.206 331 Q C 2.034 177.952 176.000 -0.136 0.000 0.987 331 Q CA 1.809 57.486 55.803 -0.210 0.000 0.858 331 Q CB -0.676 27.976 28.738 -0.143 0.000 0.905 331 Q HN 0.658 nan 8.270 nan 0.000 0.420 332 G N 0.729 109.475 108.800 -0.089 0.000 2.422 332 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.218 332 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.218 332 G C 1.499 176.401 174.900 0.004 0.000 1.140 332 G CA 0.283 45.372 45.100 -0.017 0.000 0.775 332 G HN 0.282 nan 8.290 nan 0.000 0.545 333 R N -0.629 119.844 120.500 -0.045 0.000 2.189 333 R HA 0.088 4.428 4.340 -0.001 0.000 0.218 333 R C 2.137 178.470 176.300 0.056 0.000 1.074 333 R CA 0.159 56.306 56.100 0.077 0.000 0.991 333 R CB -0.255 30.088 30.300 0.073 0.000 0.883 333 R HN 0.214 nan 8.270 nan 0.000 0.457 334 L N -0.332 120.839 121.223 -0.087 0.000 2.191 334 L HA -0.141 4.198 4.340 -0.001 0.000 0.212 334 L C 1.839 178.708 176.870 -0.002 0.000 1.103 334 L CA 1.576 56.334 54.840 -0.137 0.000 0.769 334 L CB -0.560 41.316 42.059 -0.305 0.000 0.908 334 L HN 0.130 nan 8.230 nan 0.000 0.438 335 F N -1.578 118.332 119.950 -0.067 0.000 2.317 335 F HA 0.023 4.549 4.527 -0.001 0.000 0.290 335 F C 2.632 178.409 175.800 -0.038 0.000 1.075 335 F CA 1.041 59.013 58.000 -0.047 0.000 1.380 335 F CB -0.457 38.510 39.000 -0.055 0.000 1.093 335 F HN -0.056 nan 8.300 nan 0.000 0.524 336 S N -0.188 115.284 115.700 -0.380 0.000 2.359 336 S HA -0.244 4.226 4.470 -0.001 0.000 0.224 336 S C 2.050 176.334 174.600 -0.525 0.000 1.035 336 S CA 2.008 59.896 58.200 -0.521 0.000 1.018 336 S CB -0.730 62.294 63.200 -0.294 0.000 0.876 336 S HN 0.528 nan 8.310 nan 0.000 0.448 337 Y N 1.456 121.499 120.300 -0.429 0.000 2.145 337 Y HA -0.001 4.549 4.550 -0.001 0.000 0.286 337 Y C 2.842 178.247 175.900 -0.825 0.000 1.145 337 Y CA 1.061 58.823 58.100 -0.562 0.000 1.148 337 Y CB -1.266 36.983 38.460 -0.351 0.000 0.981 337 Y HN 0.382 nan 8.280 nan 0.000 0.507 338 G N -0.558 108.057 108.800 -0.308 0.000 2.440 338 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.218 338 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.218 338 G C 1.302 176.058 174.900 -0.240 0.000 1.154 338 G CA 1.416 46.408 45.100 -0.179 0.000 0.767 338 G HN 0.423 nan 8.290 nan 0.000 0.552 339 D N 0.640 120.803 120.400 -0.394 0.000 2.117 339 D HA 0.009 4.649 4.640 -0.001 0.000 0.197 339 D C 2.699 178.863 176.300 -0.227 0.000 0.987 339 D CA 1.509 55.298 54.000 -0.350 0.000 0.829 339 D CB -0.343 40.054 40.800 -0.671 0.000 0.961 339 D HN 0.246 nan 8.370 nan 0.000 0.460 340 A N -0.711 121.914 122.820 -0.325 0.000 1.902 340 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 340 A C 1.980 179.522 177.584 -0.069 0.000 1.181 340 A CA 1.742 53.661 52.037 -0.197 0.000 0.623 340 A CB -1.029 17.785 19.000 -0.309 0.000 0.818 340 A HN 0.491 nan 8.150 nan 0.000 0.443 341 H N -0.801 118.195 119.070 -0.122 0.000 2.321 341 H HA -0.064 4.492 4.556 -0.001 0.000 0.300 341 H C 2.436 177.672 175.328 -0.152 0.000 1.087 341 H CA 1.292 57.199 56.048 -0.237 0.000 1.319 341 H CB -0.035 29.417 29.762 -0.516 0.000 1.379 341 H HN 0.394 nan 8.280 nan 0.000 0.501 342 R N -0.045 120.503 120.500 0.081 0.000 2.105 342 R HA -0.189 4.150 4.340 -0.001 0.000 0.239 342 R C 2.066 178.440 176.300 0.123 0.000 1.135 342 R CA 1.570 57.749 56.100 0.131 0.000 0.967 342 R CB -0.334 30.037 30.300 0.118 0.000 0.861 342 R HN 0.403 nan 8.270 nan 0.000 0.442 343 Y N 1.360 121.655 120.300 -0.008 0.000 2.153 343 Y HA -0.119 4.431 4.550 -0.001 0.000 0.289 343 Y C 2.499 178.399 175.900 0.001 0.000 1.127 343 Y CA 1.339 59.435 58.100 -0.007 0.000 1.131 343 Y CB -0.176 38.269 38.460 -0.024 0.000 0.995 343 Y HN -0.183 nan 8.280 nan 0.000 0.505 344 R N -0.199 120.244 120.500 -0.095 0.000 2.092 344 R HA -0.048 4.291 4.340 -0.001 0.000 0.231 344 R C 1.554 177.769 176.300 -0.142 0.000 1.119 344 R CA 1.937 57.930 56.100 -0.179 0.000 0.970 344 R CB -0.194 30.095 30.300 -0.018 0.000 0.864 344 R HN 0.487 nan 8.270 nan 0.000 0.440 345 L N -1.020 120.158 121.223 -0.076 0.000 2.672 345 L HA 0.383 4.723 4.340 -0.001 0.000 0.236 345 L C 0.481 177.360 176.870 0.014 0.000 1.092 345 L CA 0.120 54.932 54.840 -0.046 0.000 0.887 345 L CB 1.064 43.087 42.059 -0.061 0.000 1.168 345 L HN 0.440 nan 8.230 nan 0.000 0.502 346 G N -0.155 108.667 108.800 0.038 0.000 2.650 346 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.686 346 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.686 346 G C 0.097 175.086 174.900 0.149 0.000 1.205 346 G CA -0.351 44.785 45.100 0.060 0.000 0.781 346 G HN -0.253 nan 8.290 nan 0.000 0.648 347 V N 0.675 120.655 119.914 0.110 0.000 2.469 347 V HA -0.080 4.039 4.120 -0.001 0.000 0.251 347 V C 1.712 177.841 176.094 0.059 0.000 1.064 347 V CA 2.408 64.777 62.300 0.115 0.000 1.066 347 V CB -0.311 31.548 31.823 0.061 0.000 0.667 347 V HN 0.658 nan 8.190 nan 0.000 0.461 348 N N 0.303 119.011 118.700 0.013 0.000 2.455 348 N HA 0.052 4.791 4.740 -0.001 0.000 0.258 348 N C 1.020 176.343 175.510 -0.311 0.000 1.158 348 N CA 0.576 53.571 53.050 -0.092 0.000 0.893 348 N CB -0.145 38.299 38.487 -0.072 0.000 1.173 348 N HN 0.877 nan 8.380 nan 0.000 0.503 349 H N -0.790 118.235 119.070 -0.075 0.000 2.543 349 H HA -0.080 4.475 4.556 -0.001 0.000 0.286 349 H C 1.839 177.070 175.328 -0.161 0.000 1.037 349 H CA 1.103 57.073 56.048 -0.130 0.000 1.250 349 H CB -0.543 29.155 29.762 -0.105 0.000 1.373 349 H HN 0.425 nan 8.280 nan 0.000 0.580 350 H N 0.613 119.457 119.070 -0.377 0.000 2.518 350 H HA -0.070 4.485 4.556 -0.001 0.000 0.289 350 H C 1.064 176.341 175.328 -0.085 0.000 1.051 350 H CA 1.178 57.113 56.048 -0.188 0.000 1.280 350 H CB -0.072 29.623 29.762 -0.111 0.000 1.380 350 H HN 0.558 nan 8.280 nan 0.000 0.566 351 Q N 0.829 120.280 119.800 -0.581 0.000 2.311 351 Q HA 0.176 4.515 4.340 -0.001 0.000 0.203 351 Q C 0.662 176.559 176.000 -0.171 0.000 0.954 351 Q CA 0.051 55.658 55.803 -0.327 0.000 0.885 351 Q CB 0.432 28.964 28.738 -0.343 0.000 0.963 351 Q HN 0.455 nan 8.270 nan 0.000 0.471 352 I N 2.618 123.088 120.570 -0.167 0.000 2.587 352 I HA -0.065 4.105 4.170 -0.001 0.000 0.284 352 I C -1.623 174.410 176.117 -0.140 0.000 1.134 352 I CA -1.347 59.871 61.300 -0.138 0.000 1.410 352 I CB 0.553 38.461 38.000 -0.153 0.000 1.392 352 I HN -0.067 nan 8.210 nan 0.000 0.545 353 P HA -0.260 nan 4.420 nan 0.000 0.217 353 P C 1.744 178.946 177.300 -0.163 0.000 1.162 353 P CA 1.150 64.166 63.100 -0.140 0.000 0.901 353 P CB 0.168 31.790 31.700 -0.130 0.000 0.793 354 V N -0.519 119.283 119.914 -0.187 0.000 2.594 354 V HA -0.186 3.934 4.120 -0.001 0.000 0.253 354 V C 1.472 177.454 176.094 -0.186 0.000 1.069 354 V CA 2.018 64.183 62.300 -0.224 0.000 1.082 354 V CB -0.957 30.568 31.823 -0.497 0.000 0.680 354 V HN 0.125 nan 8.190 nan 0.000 0.469 355 N N 0.288 118.871 118.700 -0.195 0.000 2.325 355 N HA 0.223 4.963 4.740 -0.001 0.000 0.182 355 N C 0.570 176.023 175.510 -0.095 0.000 1.088 355 N CA 0.741 53.688 53.050 -0.171 0.000 0.879 355 N CB 0.152 38.547 38.487 -0.154 0.000 0.983 355 N HN 0.529 nan 8.380 nan 0.000 0.471 356 A N 2.492 125.256 122.820 -0.094 0.000 2.351 356 A HA 0.397 4.717 4.320 -0.001 0.000 0.257 356 A C -2.116 175.391 177.584 -0.128 0.000 1.087 356 A CA -0.912 51.043 52.037 -0.137 0.000 0.798 356 A CB 0.045 18.969 19.000 -0.128 0.000 1.033 356 A HN -0.021 nan 8.150 nan 0.000 0.488 357 P HA 0.298 nan 4.420 nan 0.000 0.281 357 P C -0.475 176.743 177.300 -0.137 0.000 1.249 357 P CA -0.285 62.705 63.100 -0.183 0.000 0.810 357 P CB 1.155 32.619 31.700 -0.394 0.000 1.008 358 K N -0.033 120.333 120.400 -0.056 0.000 2.353 358 K HA 0.134 4.454 4.320 -0.001 0.000 0.195 358 K C 0.953 177.534 176.600 -0.032 0.000 1.031 358 K CA 0.183 56.419 56.287 -0.085 0.000 1.079 358 K CB -0.008 32.413 32.500 -0.132 0.000 0.857 358 K HN 0.599 nan 8.250 nan 0.000 0.535 359 C N 0.610 119.906 119.300 -0.007 0.000 2.551 359 C HA 0.521 4.980 4.460 -0.001 0.000 0.377 359 C C -2.272 172.753 174.990 0.058 0.000 1.622 359 C CA -2.105 56.925 59.018 0.021 0.000 1.980 359 C CB -0.253 27.500 27.740 0.021 0.000 1.946 359 C HN 0.027 nan 8.230 nan 0.000 0.525 360 P HA 0.257 nan 4.420 nan 0.000 0.267 360 P C -1.019 176.414 177.300 0.222 0.000 1.205 360 P CA 0.442 63.612 63.100 0.115 0.000 0.765 360 P CB -0.009 31.736 31.700 0.074 0.000 0.828 361 F N 3.751 123.725 119.950 0.041 0.000 2.507 361 F HA 0.321 4.847 4.527 -0.001 0.000 0.328 361 F C -0.710 175.169 175.800 0.131 0.000 1.136 361 F CA -0.938 57.100 58.000 0.064 0.000 0.930 361 F CB 0.866 39.893 39.000 0.044 0.000 1.166 361 F HN 0.358 nan 8.300 nan 0.000 0.436 362 H N 6.309 125.318 119.070 -0.103 0.000 2.541 362 H HA 0.236 4.792 4.556 -0.001 0.000 0.246 362 H C -0.695 174.470 175.328 -0.273 0.000 1.341 362 H CA -0.368 55.553 56.048 -0.211 0.000 1.469 362 H CB 0.483 30.224 29.762 -0.035 0.000 1.472 362 H HN 0.713 nan 8.280 nan 0.000 0.503 363 N N 2.707 120.943 118.700 -0.773 0.000 2.497 363 N HA -0.094 4.646 4.740 -0.001 0.000 0.268 363 N C 0.260 175.499 175.510 -0.450 0.000 1.171 363 N CA -0.016 52.628 53.050 -0.677 0.000 0.948 363 N CB 0.781 38.736 38.487 -0.887 0.000 1.069 363 N HN 0.571 nan 8.380 nan 0.000 0.460 364 Y N 4.029 123.914 120.300 -0.693 0.000 2.479 364 Y HA 0.105 4.654 4.550 -0.001 0.000 0.283 364 Y C 0.384 175.925 175.900 -0.598 0.000 1.109 364 Y CA 0.307 57.904 58.100 -0.839 0.000 1.239 364 Y CB 0.056 37.968 38.460 -0.915 0.000 1.108 364 Y HN 0.580 nan 8.280 nan 0.000 0.548 365 H N 2.265 121.185 119.070 -0.250 0.000 2.964 365 H HA 0.141 4.697 4.556 -0.001 0.000 0.328 365 H C 0.118 175.275 175.328 -0.285 0.000 1.030 365 H CA 0.218 56.107 56.048 -0.265 0.000 1.445 365 H CB 0.356 30.055 29.762 -0.105 0.000 1.449 365 H HN 0.188 nan 8.280 nan 0.000 0.581 366 R N 2.262 122.654 120.500 -0.180 0.000 2.368 366 R HA 0.062 4.401 4.340 -0.001 0.000 0.302 366 R C -0.141 176.133 176.300 -0.044 0.000 1.002 366 R CA -0.316 55.700 56.100 -0.141 0.000 0.929 366 R CB 0.654 30.841 30.300 -0.187 0.000 1.073 366 R HN 0.765 nan 8.270 nan 0.000 0.464 367 D N 0.953 121.339 120.400 -0.023 0.000 3.393 367 D HA -0.264 4.376 4.640 -0.001 0.000 0.178 367 D C 0.252 176.564 176.300 0.021 0.000 1.201 367 D CA 2.011 56.011 54.000 0.001 0.000 1.086 367 D CB -1.162 39.635 40.800 -0.005 0.000 0.568 367 D HN 0.965 nan 8.370 nan 0.000 0.637 368 G N -0.976 107.835 108.800 0.017 0.000 2.690 368 G HA2 0.422 4.381 3.960 -0.001 0.000 0.686 368 G HA3 0.422 4.381 3.960 -0.001 0.000 0.686 368 G C -0.004 174.907 174.900 0.020 0.000 1.277 368 G CA 0.422 45.536 45.100 0.023 0.000 0.799 368 G HN 1.458 nan 8.290 nan 0.000 0.613 369 A N 1.005 123.836 122.820 0.018 0.000 2.531 369 A HA 0.610 4.929 4.320 -0.001 0.000 0.236 369 A C 1.451 179.038 177.584 0.005 0.000 1.062 369 A CA 1.695 53.738 52.037 0.010 0.000 0.760 369 A CB 0.039 19.045 19.000 0.009 0.000 0.995 369 A HN 2.595 nan 8.150 nan 0.000 0.501 370 M N 0.538 120.139 119.600 0.001 0.000 2.249 370 M HA -0.148 4.332 4.480 -0.001 0.000 0.198 370 M C 0.071 176.366 176.300 -0.008 0.000 0.394 370 M CA 0.586 55.884 55.300 -0.004 0.000 0.427 370 M CB -1.316 31.278 32.600 -0.009 0.000 1.307 370 M HN 0.799 nan 8.290 nan 0.000 0.924 371 R N -0.154 120.348 120.500 0.004 0.000 2.291 371 R HA 0.479 4.819 4.340 -0.001 0.000 0.333 371 R C 0.458 176.763 176.300 0.008 0.000 1.082 371 R CA 0.166 56.273 56.100 0.012 0.000 0.948 371 R CB 0.300 30.614 30.300 0.024 0.000 1.009 371 R HN 0.330 nan 8.270 nan 0.000 0.460 372 V N 3.013 122.928 119.914 0.001 0.000 3.645 372 V HA 0.023 4.142 4.120 -0.001 0.000 0.275 372 V C 0.444 176.546 176.094 0.014 0.000 1.356 372 V CA 0.746 63.048 62.300 0.003 0.000 1.051 372 V CB 0.362 32.179 31.823 -0.009 0.000 0.828 372 V HN 0.809 nan 8.190 nan 0.000 0.441 373 D N 0.198 120.617 120.400 0.031 0.000 2.336 373 D HA 0.266 4.905 4.640 -0.001 0.000 0.228 373 D C 1.532 177.855 176.300 0.039 0.000 1.120 373 D CA 0.693 54.722 54.000 0.049 0.000 0.839 373 D CB 0.318 41.178 40.800 0.100 0.000 0.932 373 D HN 0.318 nan 8.370 nan 0.000 0.509 374 G N -0.089 108.727 108.800 0.026 0.000 2.175 374 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.244 374 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.244 374 G C 0.443 175.349 174.900 0.010 0.000 0.982 374 G CA -0.050 45.059 45.100 0.015 0.000 0.641 374 G HN 0.610 nan 8.290 nan 0.000 0.527 375 N N -1.389 117.320 118.700 0.015 0.000 6.901 375 N HA -0.192 4.548 4.740 -0.001 0.000 0.422 375 N C 1.361 176.854 175.510 -0.029 0.000 0.947 375 N CA 2.175 55.224 53.050 -0.001 0.000 1.386 375 N CB -1.252 37.231 38.487 -0.006 0.000 0.815 375 N HN 1.241 nan 8.380 nan 0.000 0.301 376 S N -0.597 115.069 115.700 -0.057 0.000 2.558 376 S HA 0.450 4.919 4.470 -0.001 0.000 0.217 376 S C 0.811 175.430 174.600 0.031 0.000 0.975 376 S CA 1.260 59.416 58.200 -0.072 0.000 0.912 376 S CB -0.039 63.039 63.200 -0.204 0.000 0.776 376 S HN 1.472 nan 8.310 nan 0.000 0.526 377 G N 0.492 109.304 108.800 0.019 0.000 2.322 377 G HA2 0.217 4.177 3.960 -0.001 0.000 0.289 377 G HA3 0.217 4.177 3.960 -0.001 0.000 0.289 377 G C -0.679 174.237 174.900 0.027 0.000 1.687 377 G CA -0.793 44.330 45.100 0.038 0.000 0.944 377 G HN 0.035 nan 8.290 nan 0.000 0.718 378 N N -0.112 118.599 118.700 0.018 0.000 2.280 378 N HA 0.173 4.913 4.740 -0.001 0.000 0.192 378 N C 1.469 176.997 175.510 0.030 0.000 1.109 378 N CA 1.008 54.070 53.050 0.019 0.000 0.855 378 N CB 1.364 39.856 38.487 0.009 0.000 0.974 378 N HN 0.762 nan 8.380 nan 0.000 0.482 379 G N 0.362 109.184 108.800 0.036 0.000 2.542 379 G HA2 0.371 4.330 3.960 -0.001 0.000 0.208 379 G HA3 0.371 4.330 3.960 -0.001 0.000 0.208 379 G C -0.075 174.885 174.900 0.099 0.000 1.976 379 G CA -0.294 44.837 45.100 0.051 0.000 0.722 379 G HN 0.058 nan 8.290 nan 0.000 0.798 380 I N 2.237 122.846 120.570 0.065 0.000 2.416 380 I HA 0.262 4.431 4.170 -0.001 0.000 0.288 380 I C 0.786 176.990 176.117 0.146 0.000 1.051 380 I CA 0.211 61.540 61.300 0.049 0.000 1.375 380 I CB 1.770 39.654 38.000 -0.193 0.000 1.407 380 I HN 0.434 nan 8.210 nan 0.000 0.516 381 T N 2.116 116.822 114.554 0.252 0.000 3.288 381 T HA 0.270 4.619 4.350 -0.001 0.000 0.293 381 T C -0.376 174.461 174.700 0.229 0.000 1.008 381 T CA -0.426 61.820 62.100 0.243 0.000 0.929 381 T CB -0.381 68.529 68.868 0.069 0.000 1.152 381 T HN 0.499 nan 8.240 nan 0.000 0.517 382 Y N -1.644 118.807 120.300 0.251 0.000 2.609 382 Y HA 0.906 5.455 4.550 -0.001 0.000 0.342 382 Y C -0.872 175.174 175.900 0.244 0.000 1.058 382 Y CA -1.412 56.821 58.100 0.223 0.000 1.055 382 Y CB 1.461 40.000 38.460 0.131 0.000 1.292 382 Y HN 0.010 nan 8.280 nan 0.000 0.476 383 E N 2.198 122.534 120.200 0.226 0.000 2.352 383 E HA 0.363 4.713 4.350 -0.001 0.000 0.280 383 E C -2.890 173.803 176.600 0.155 0.000 0.930 383 E CA -1.883 54.590 56.400 0.123 0.000 0.765 383 E CB 2.411 32.150 29.700 0.065 0.000 1.219 383 E HN 0.804 nan 8.360 nan 0.000 0.434 384 P HA 0.277 nan 4.420 nan 0.000 0.272 384 P C -0.909 176.489 177.300 0.163 0.000 1.223 384 P CA -0.179 62.990 63.100 0.116 0.000 0.784 384 P CB 0.796 32.551 31.700 0.092 0.000 0.923 385 N N -1.598 117.137 118.700 0.058 0.000 2.774 385 N HA 0.306 5.045 4.740 -0.001 0.000 0.264 385 N C -0.291 175.236 175.510 0.028 0.000 1.415 385 N CA -0.941 52.124 53.050 0.025 0.000 0.815 385 N CB 0.666 38.960 38.487 -0.321 0.000 1.514 385 N HN 0.057 nan 8.380 nan 0.000 0.523 386 S N -1.714 114.009 115.700 0.039 0.000 2.557 386 S HA 0.273 4.742 4.470 -0.001 0.000 0.223 386 S C 1.014 175.611 174.600 -0.003 0.000 0.969 386 S CA -0.094 58.122 58.200 0.027 0.000 0.927 386 S CB -0.109 63.119 63.200 0.047 0.000 0.806 386 S HN 0.759 nan 8.310 nan 0.000 0.489 387 G N 0.523 109.302 108.800 -0.036 0.000 3.393 387 G HA2 0.432 4.392 3.960 -0.001 0.000 0.255 387 G HA3 0.432 4.392 3.960 -0.001 0.000 0.255 387 G C 0.913 175.771 174.900 -0.071 0.000 1.097 387 G CA -0.005 45.063 45.100 -0.053 0.000 0.780 387 G HN 0.582 nan 8.290 nan 0.000 0.540 388 G N -0.592 108.174 108.800 -0.057 0.000 2.283 388 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.280 388 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.280 388 G C 0.165 175.011 174.900 -0.090 0.000 1.029 388 G CA 0.563 45.629 45.100 -0.057 0.000 0.840 388 G HN 1.242 nan 8.290 nan 0.000 0.505 389 V N -0.866 118.979 119.914 -0.116 0.000 2.769 389 V HA 0.773 4.893 4.120 -0.001 0.000 0.312 389 V C 1.056 177.112 176.094 -0.063 0.000 1.058 389 V CA -0.128 62.048 62.300 -0.208 0.000 0.952 389 V CB 0.732 32.323 31.823 -0.386 0.000 1.019 389 V HN 1.102 nan 8.190 nan 0.000 0.445 390 F N 2.639 122.688 119.950 0.166 0.000 3.074 390 F HA -0.150 4.377 4.527 -0.001 0.000 0.289 390 F C 0.704 176.522 175.800 0.030 0.000 0.863 390 F CA 0.670 58.727 58.000 0.096 0.000 1.121 390 F CB -1.930 37.083 39.000 0.022 0.000 1.169 390 F HN 0.607 nan 8.300 nan 0.000 0.570 391 Q N 1.545 121.442 119.800 0.162 0.000 2.332 391 Q HA 0.201 4.540 4.340 -0.001 0.000 0.263 391 Q C 0.915 176.973 176.000 0.096 0.000 0.979 391 Q CA 0.006 55.866 55.803 0.095 0.000 0.885 391 Q CB 0.780 29.548 28.738 0.049 0.000 1.218 391 Q HN 0.678 nan 8.270 nan 0.000 0.405 392 E N 1.496 121.737 120.200 0.068 0.000 2.392 392 E HA 0.063 4.413 4.350 -0.001 0.000 0.256 392 E C -0.704 175.946 176.600 0.083 0.000 1.145 392 E CA -0.265 56.175 56.400 0.066 0.000 0.929 392 E CB 0.527 30.252 29.700 0.042 0.000 0.998 392 E HN 0.383 nan 8.360 nan 0.000 0.442 393 Q N 1.207 121.076 119.800 0.115 0.000 2.571 393 Q HA 0.191 4.530 4.340 -0.001 0.000 0.243 393 Q C -2.096 173.994 176.000 0.150 0.000 1.055 393 Q CA -1.756 54.144 55.803 0.160 0.000 0.815 393 Q CB 1.384 30.299 28.738 0.294 0.000 1.151 393 Q HN 0.486 nan 8.270 nan 0.000 0.519 394 P HA -0.150 nan 4.420 nan 0.000 0.221 394 P C 0.141 177.430 177.300 -0.020 0.000 1.145 394 P CA 1.031 64.149 63.100 0.030 0.000 0.795 394 P CB 0.341 32.046 31.700 0.007 0.000 0.775 395 D N -1.893 118.442 120.400 -0.109 0.000 2.378 395 D HA -0.067 4.573 4.640 -0.001 0.000 0.222 395 D C 0.548 176.580 176.300 -0.446 0.000 0.980 395 D CA 0.869 54.687 54.000 -0.303 0.000 0.907 395 D CB -0.513 40.016 40.800 -0.451 0.000 0.899 395 D HN 0.276 nan 8.370 nan 0.000 0.527 396 F N 0.251 120.200 119.950 -0.003 0.000 2.698 396 F HA 0.217 4.744 4.527 -0.001 0.000 0.304 396 F C 0.976 176.773 175.800 -0.005 0.000 1.108 396 F CA -0.694 57.302 58.000 -0.006 0.000 1.263 396 F CB 0.175 39.171 39.000 -0.005 0.000 1.013 396 F HN -0.346 nan 8.300 nan 0.000 0.532 397 K N 2.641 123.110 120.400 0.115 0.000 2.401 397 K HA 0.087 4.406 4.320 -0.001 0.000 0.278 397 K C 0.350 176.986 176.600 0.059 0.000 1.018 397 K CA -0.014 56.320 56.287 0.077 0.000 0.981 397 K CB 0.600 33.124 32.500 0.042 0.000 0.933 397 K HN 0.411 nan 8.250 nan 0.000 0.477 398 E N 4.915 125.147 120.200 0.052 0.000 2.232 398 E HA 0.461 4.810 4.350 -0.001 0.000 0.265 398 E C -2.387 174.224 176.600 0.019 0.000 1.001 398 E CA -2.110 54.310 56.400 0.033 0.000 0.870 398 E CB 0.869 30.587 29.700 0.031 0.000 1.175 398 E HN 0.330 nan 8.360 nan 0.000 0.407 399 P HA 0.207 nan 4.420 nan 0.000 0.272 399 P C -2.397 174.904 177.300 0.002 0.000 1.230 399 P CA -1.048 62.048 63.100 -0.007 0.000 0.788 399 P CB -0.233 31.449 31.700 -0.030 0.000 0.949 400 P HA 0.221 nan 4.420 nan 0.000 0.272 400 P C -0.798 176.514 177.300 0.020 0.000 1.230 400 P CA -0.129 62.981 63.100 0.016 0.000 0.788 400 P CB 0.256 31.963 31.700 0.012 0.000 0.949 401 L N 1.416 122.661 121.223 0.036 0.000 2.343 401 L HA 0.346 4.686 4.340 -0.001 0.000 0.278 401 L C -0.324 176.573 176.870 0.045 0.000 0.996 401 L CA -0.136 54.737 54.840 0.054 0.000 0.831 401 L CB 1.029 43.140 42.059 0.086 0.000 1.232 401 L HN 0.237 nan 8.230 nan 0.000 0.413 402 S N 5.387 121.113 115.700 0.043 0.000 2.560 402 S HA 0.420 4.889 4.470 -0.001 0.000 0.284 402 S C -0.073 174.541 174.600 0.023 0.000 1.327 402 S CA -0.112 58.106 58.200 0.030 0.000 1.055 402 S CB 0.258 63.475 63.200 0.029 0.000 0.868 402 S HN 0.387 nan 8.310 nan 0.000 0.506 403 I N 2.607 123.183 120.570 0.010 0.000 2.406 403 I HA 0.417 4.586 4.170 -0.001 0.000 0.290 403 I C 0.036 176.144 176.117 -0.014 0.000 0.999 403 I CA -0.656 60.641 61.300 -0.005 0.000 1.124 403 I CB 1.497 39.498 38.000 0.002 0.000 1.289 403 I HN 0.599 nan 8.210 nan 0.000 0.441 404 E N 4.456 124.631 120.200 -0.042 0.000 2.165 404 E HA 0.667 5.016 4.350 -0.001 0.000 0.266 404 E C -0.185 176.355 176.600 -0.099 0.000 0.889 404 E CA -0.211 56.155 56.400 -0.056 0.000 0.756 404 E CB 1.425 31.087 29.700 -0.064 0.000 1.131 404 E HN 0.887 nan 8.360 nan 0.000 0.411 405 G N 2.170 110.943 108.800 -0.046 0.000 2.619 405 G HA2 0.295 4.254 3.960 -0.001 0.000 0.686 405 G HA3 0.295 4.254 3.960 -0.001 0.000 0.686 405 G C -0.339 174.626 174.900 0.109 0.000 1.256 405 G CA -0.535 44.556 45.100 -0.015 0.000 0.826 405 G HN 0.843 nan 8.290 nan 0.000 0.619 406 A N 0.135 123.131 122.820 0.294 0.000 2.272 406 A HA 0.981 5.300 4.320 -0.001 0.000 0.275 406 A C 1.031 178.840 177.584 0.375 0.000 1.096 406 A CA 0.849 53.053 52.037 0.279 0.000 0.822 406 A CB 0.640 19.776 19.000 0.227 0.000 1.088 406 A HN 2.610 nan 8.150 nan 0.000 0.495 407 A N 0.626 123.566 122.820 0.201 0.000 2.354 407 A HA 0.572 4.892 4.320 -0.001 0.000 0.281 407 A C -0.223 177.391 177.584 0.050 0.000 1.174 407 A CA 0.076 52.204 52.037 0.152 0.000 0.828 407 A CB -0.082 18.948 19.000 0.050 0.000 1.099 407 A HN 0.900 nan 8.150 nan 0.000 0.516 408 D N -0.576 119.822 120.400 -0.003 0.000 2.738 408 D HA 0.136 4.776 4.640 -0.001 0.000 0.308 408 D C -1.160 174.911 176.300 -0.381 0.000 1.311 408 D CA -0.492 53.304 54.000 -0.340 0.000 0.799 408 D CB 0.609 41.000 40.800 -0.683 0.000 1.332 408 D HN 0.509 nan 8.370 nan 0.000 0.441 409 H N 1.334 120.230 119.070 -0.290 0.000 2.982 409 H HA 0.162 4.717 4.556 -0.001 0.000 0.261 409 H C -0.476 174.740 175.328 -0.186 0.000 1.603 409 H CA -0.120 55.846 56.048 -0.137 0.000 1.398 409 H CB -0.456 29.245 29.762 -0.101 0.000 1.693 409 H HN 0.092 nan 8.280 nan 0.000 0.535 410 W N 2.431 123.793 121.300 0.103 0.000 2.419 410 W HA 0.004 4.663 4.660 -0.000 0.000 0.312 410 W C 1.064 177.642 176.519 0.098 0.000 1.323 410 W CA -0.435 56.959 57.345 0.083 0.000 1.293 410 W CB 0.130 29.626 29.460 0.061 0.000 1.324 410 W HN 0.425 nan 8.180 nan 0.000 0.512 411 N N 3.151 121.993 118.700 0.236 0.000 2.438 411 N HA -0.118 4.622 4.740 -0.001 0.000 0.267 411 N C 1.098 176.700 175.510 0.152 0.000 1.222 411 N CA 0.263 53.387 53.050 0.124 0.000 0.930 411 N CB 0.399 38.909 38.487 0.038 0.000 1.083 411 N HN 0.548 nan 8.380 nan 0.000 0.476 412 H N 2.600 121.768 119.070 0.163 0.000 2.547 412 H HA 0.167 4.722 4.556 -0.001 0.000 0.272 412 H C 0.804 176.212 175.328 0.134 0.000 0.989 412 H CA 0.879 57.016 56.048 0.149 0.000 1.214 412 H CB 0.118 29.968 29.762 0.145 0.000 1.389 412 H HN 0.459 nan 8.280 nan 0.000 0.577 413 R N 0.460 120.810 120.500 -0.251 0.000 2.328 413 R HA -0.023 4.316 4.340 -0.001 0.000 0.200 413 R C 0.853 177.158 176.300 0.008 0.000 0.983 413 R CA 0.468 56.519 56.100 -0.083 0.000 1.062 413 R CB 0.113 30.344 30.300 -0.116 0.000 0.956 413 R HN 0.339 nan 8.270 nan 0.000 0.479 414 E N 1.067 121.288 120.200 0.036 0.000 2.347 414 E HA -0.095 4.254 4.350 -0.001 0.000 0.196 414 E C -0.209 176.395 176.600 0.007 0.000 1.008 414 E CA 0.669 57.093 56.400 0.040 0.000 0.852 414 E CB 0.021 29.770 29.700 0.082 0.000 0.783 414 E HN 0.083 nan 8.360 nan 0.000 0.505 415 D N 0.139 120.538 120.400 -0.002 0.000 2.427 415 D HA 0.081 4.721 4.640 -0.001 0.000 0.226 415 D C -0.464 175.673 176.300 -0.271 0.000 1.076 415 D CA -0.092 53.868 54.000 -0.067 0.000 0.849 415 D CB 0.685 41.488 40.800 0.004 0.000 1.052 415 D HN -0.029 nan 8.370 nan 0.000 0.515 416 E N 2.129 122.107 120.200 -0.370 0.000 2.437 416 E HA 0.008 4.357 4.350 -0.001 0.000 0.195 416 E C -0.369 175.725 176.600 -0.843 0.000 1.029 416 E CA -0.177 55.755 56.400 -0.781 0.000 0.948 416 E CB 0.466 29.978 29.700 -0.313 0.000 1.082 416 E HN 0.290 nan 8.360 nan 0.000 0.456 417 D N 0.109 120.182 120.400 -0.545 0.000 2.608 417 D HA -0.034 4.605 4.640 -0.001 0.000 0.224 417 D C -0.095 176.011 176.300 -0.324 0.000 1.123 417 D CA 0.008 53.828 54.000 -0.299 0.000 1.030 417 D CB -0.144 40.589 40.800 -0.112 0.000 1.093 417 D HN 0.161 nan 8.370 nan 0.000 0.497 418 Y N 0.311 120.357 120.300 -0.423 0.000 2.510 418 Y HA 0.135 4.685 4.550 -0.001 0.000 0.273 418 Y C 1.228 176.719 175.900 -0.682 0.000 1.119 418 Y CA 0.029 57.733 58.100 -0.661 0.000 1.286 418 Y CB -0.174 37.637 38.460 -1.082 0.000 1.061 418 Y HN 0.210 nan 8.280 nan 0.000 0.542 419 F N -1.484 118.562 119.950 0.160 0.000 2.653 419 F HA 0.076 4.603 4.527 -0.001 0.000 0.288 419 F C 2.421 178.253 175.800 0.053 0.000 1.121 419 F CA 0.425 58.485 58.000 0.099 0.000 1.384 419 F CB -0.869 38.183 39.000 0.086 0.000 1.115 419 F HN -0.049 nan 8.300 nan 0.000 0.599 420 S N 0.428 116.228 115.700 0.166 0.000 2.370 420 S HA -0.240 4.230 4.470 -0.001 0.000 0.226 420 S C 1.794 176.413 174.600 0.031 0.000 1.033 420 S CA 1.396 59.655 58.200 0.098 0.000 1.011 420 S CB -0.632 62.607 63.200 0.065 0.000 0.852 420 S HN 0.492 nan 8.310 nan 0.000 0.457 421 Q N 1.219 120.991 119.800 -0.047 0.000 2.049 421 Q HA 0.045 4.384 4.340 -0.001 0.000 0.198 421 Q C -0.426 175.360 176.000 -0.356 0.000 0.971 421 Q CA 1.285 56.965 55.803 -0.204 0.000 0.833 421 Q CB -1.176 27.418 28.738 -0.239 0.000 0.896 421 Q HN 0.580 nan 8.270 nan 0.000 0.434 422 P HA -0.143 nan 4.420 nan 0.000 0.223 422 P C 1.065 178.438 177.300 0.122 0.000 1.151 422 P CA 1.120 64.156 63.100 -0.107 0.000 0.787 422 P CB -0.075 31.688 31.700 0.105 0.000 0.788 423 R N 0.568 121.156 120.500 0.146 0.000 2.073 423 R HA -0.001 4.339 4.340 -0.001 0.000 0.229 423 R C 2.301 178.726 176.300 0.207 0.000 1.120 423 R CA 1.419 57.655 56.100 0.228 0.000 0.967 423 R CB -0.829 29.597 30.300 0.210 0.000 0.862 423 R HN 0.011 nan 8.270 nan 0.000 0.436 424 A N 1.060 123.943 122.820 0.106 0.000 1.933 424 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 424 A C 1.999 179.629 177.584 0.076 0.000 1.175 424 A CA 1.280 53.364 52.037 0.079 0.000 0.628 424 A CB -0.540 18.476 19.000 0.026 0.000 0.814 424 A HN 0.406 nan 8.150 nan 0.000 0.444 425 L N -1.736 119.528 121.223 0.068 0.000 2.044 425 L HA -0.076 4.263 4.340 -0.001 0.000 0.205 425 L C 2.291 179.220 176.870 0.099 0.000 1.075 425 L CA 2.333 57.219 54.840 0.077 0.000 0.747 425 L CB -1.000 41.116 42.059 0.094 0.000 0.903 425 L HN 0.503 nan 8.230 nan 0.000 0.435 426 Y N 0.860 121.170 120.300 0.018 0.000 2.151 426 Y HA -0.293 4.257 4.550 -0.001 0.000 0.284 426 Y C 2.307 178.248 175.900 0.069 0.000 1.166 426 Y CA 2.321 60.404 58.100 -0.028 0.000 1.163 426 Y CB -0.181 38.201 38.460 -0.131 0.000 0.974 426 Y HN 0.401 nan 8.280 nan 0.000 0.511 427 E N -0.069 120.211 120.200 0.133 0.000 2.338 427 E HA -0.141 4.208 4.350 -0.001 0.000 0.197 427 E C 1.966 178.544 176.600 -0.037 0.000 1.007 427 E CA 0.861 57.296 56.400 0.058 0.000 0.849 427 E CB -0.104 29.692 29.700 0.159 0.000 0.774 427 E HN 0.560 nan 8.360 nan 0.000 0.506 428 L N 0.391 121.585 121.223 -0.047 0.000 2.307 428 L HA 0.008 4.347 4.340 -0.001 0.000 0.211 428 L C 0.504 177.281 176.870 -0.155 0.000 1.099 428 L CA -0.087 54.710 54.840 -0.073 0.000 0.816 428 L CB 0.035 42.074 42.059 -0.033 0.000 0.952 428 L HN 0.098 nan 8.230 nan 0.000 0.455 429 L N 0.446 121.530 121.223 -0.230 0.000 2.439 429 L HA 0.082 4.421 4.340 -0.001 0.000 0.269 429 L C 1.005 177.497 176.870 -0.631 0.000 1.179 429 L CA 0.277 54.895 54.840 -0.369 0.000 0.828 429 L CB 0.761 42.606 42.059 -0.357 0.000 1.106 429 L HN 0.130 nan 8.230 nan 0.000 0.467 430 S N 0.634 116.026 115.700 -0.513 0.000 2.617 430 S HA 0.049 4.518 4.470 -0.001 0.000 0.259 430 S C 0.922 175.101 174.600 -0.701 0.000 1.301 430 S CA 0.002 57.912 58.200 -0.483 0.000 0.984 430 S CB 0.545 63.575 63.200 -0.283 0.000 0.954 430 S HN 0.682 nan 8.310 nan 0.000 0.572 431 D N 0.111 120.251 120.400 -0.432 0.000 2.117 431 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 431 D C 1.189 177.345 176.300 -0.239 0.000 0.987 431 D CA 1.595 55.417 54.000 -0.296 0.000 0.829 431 D CB -0.217 40.511 40.800 -0.121 0.000 0.961 431 D HN 0.562 nan 8.370 nan 0.000 0.460 432 D N 0.040 120.315 120.400 -0.209 0.000 2.117 432 D HA -0.171 4.469 4.640 -0.001 0.000 0.197 432 D C 1.825 178.006 176.300 -0.199 0.000 0.987 432 D CA 0.828 54.732 54.000 -0.160 0.000 0.829 432 D CB -0.312 40.413 40.800 -0.125 0.000 0.961 432 D HN 0.488 nan 8.370 nan 0.000 0.460 433 E N -0.207 119.833 120.200 -0.267 0.000 2.106 433 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 433 E C 1.876 178.291 176.600 -0.308 0.000 0.984 433 E CA 0.799 57.043 56.400 -0.260 0.000 0.806 433 E CB 0.036 29.576 29.700 -0.267 0.000 0.750 433 E HN 0.490 nan 8.360 nan 0.000 0.458 434 H N -0.864 117.912 119.070 -0.490 0.000 2.353 434 H HA -0.123 4.433 4.556 -0.001 0.000 0.300 434 H C 2.175 176.808 175.328 -1.158 0.000 1.090 434 H CA 1.064 56.605 56.048 -0.845 0.000 1.327 434 H CB 0.209 29.533 29.762 -0.731 0.000 1.383 434 H HN 0.092 nan 8.280 nan 0.000 0.508 435 Q N 0.708 120.234 119.800 -0.457 0.000 2.084 435 Q HA -0.090 4.250 4.340 -0.001 0.000 0.202 435 Q C 2.208 178.106 176.000 -0.169 0.000 0.978 435 Q CA 1.264 56.935 55.803 -0.221 0.000 0.844 435 Q CB 0.035 28.749 28.738 -0.040 0.000 0.898 435 Q HN 0.345 nan 8.270 nan 0.000 0.426 436 R N -0.369 120.025 120.500 -0.178 0.000 2.075 436 R HA -0.079 4.261 4.340 -0.001 0.000 0.232 436 R C 2.282 178.525 176.300 -0.094 0.000 1.126 436 R CA 1.694 57.733 56.100 -0.101 0.000 0.963 436 R CB -0.379 29.866 30.300 -0.090 0.000 0.858 436 R HN 0.466 nan 8.270 nan 0.000 0.435 437 M N -1.251 118.235 119.600 -0.190 0.000 2.319 437 M HA 0.006 4.486 4.480 -0.001 0.000 0.265 437 M C 1.180 177.482 176.300 0.003 0.000 1.068 437 M CA 1.491 56.725 55.300 -0.109 0.000 1.118 437 M CB -0.383 32.140 32.600 -0.128 0.000 1.395 437 M HN -0.098 nan 8.290 nan 0.000 0.435 438 F N 2.174 122.115 119.950 -0.016 0.000 2.146 438 F HA 0.075 4.601 4.527 -0.001 0.000 0.298 438 F C 2.981 178.762 175.800 -0.032 0.000 1.096 438 F CA 0.945 58.924 58.000 -0.035 0.000 1.275 438 F CB -1.454 37.532 39.000 -0.024 0.000 1.008 438 F HN 0.215 nan 8.300 nan 0.000 0.480 439 A N 0.282 123.203 122.820 0.167 0.000 1.902 439 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 439 A C 2.389 180.014 177.584 0.069 0.000 1.181 439 A CA 1.412 53.504 52.037 0.091 0.000 0.623 439 A CB -0.629 18.408 19.000 0.061 0.000 0.818 439 A HN 0.298 nan 8.150 nan 0.000 0.443 440 R N -0.622 119.919 120.500 0.069 0.000 2.092 440 R HA 0.004 4.343 4.340 -0.001 0.000 0.231 440 R C 1.948 178.309 176.300 0.102 0.000 1.119 440 R CA 1.478 57.627 56.100 0.081 0.000 0.970 440 R CB -0.432 29.916 30.300 0.079 0.000 0.864 440 R HN 0.569 nan 8.270 nan 0.000 0.440 441 I N 0.490 121.113 120.570 0.088 0.000 2.286 441 I HA -0.177 3.992 4.170 -0.001 0.000 0.245 441 I C 2.609 178.691 176.117 -0.058 0.000 1.104 441 I CA 0.942 62.265 61.300 0.038 0.000 1.397 441 I CB -0.411 37.572 38.000 -0.029 0.000 1.072 441 I HN 0.140 nan 8.210 nan 0.000 0.417 442 A N 1.124 123.928 122.820 -0.027 0.000 1.908 442 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 442 A C 2.424 179.990 177.584 -0.029 0.000 1.181 442 A CA 1.944 53.952 52.037 -0.049 0.000 0.627 442 A CB -1.467 17.525 19.000 -0.013 0.000 0.818 442 A HN 0.467 nan 8.150 nan 0.000 0.445 443 G N -0.744 108.065 108.800 0.016 0.000 2.462 443 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.220 443 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.220 443 G C 1.432 176.364 174.900 0.054 0.000 1.121 443 G CA 1.118 46.240 45.100 0.036 0.000 0.758 443 G HN 0.699 nan 8.290 nan 0.000 0.559 444 E N -0.785 119.458 120.200 0.071 0.000 2.110 444 E HA 0.117 4.466 4.350 -0.001 0.000 0.193 444 E C 2.248 178.848 176.600 0.000 0.000 0.950 444 E CA -0.148 56.349 56.400 0.162 0.000 0.840 444 E CB -0.176 29.797 29.700 0.454 0.000 0.809 444 E HN 0.244 nan 8.360 nan 0.000 0.465 445 L N 1.935 122.955 121.223 -0.339 0.000 2.131 445 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 445 L C 2.285 179.034 176.870 -0.202 0.000 1.092 445 L CA 1.916 56.425 54.840 -0.551 0.000 0.759 445 L CB -0.556 41.072 42.059 -0.717 0.000 0.903 445 L HN 0.084 nan 8.230 nan 0.000 0.435 446 S N -1.819 113.812 115.700 -0.114 0.000 2.469 446 S HA -0.217 4.253 4.470 -0.001 0.000 0.238 446 S C 1.721 176.309 174.600 -0.020 0.000 0.998 446 S CA 1.027 59.194 58.200 -0.056 0.000 0.957 446 S CB -0.539 62.639 63.200 -0.036 0.000 0.764 446 S HN 0.690 nan 8.310 nan 0.000 0.514 447 Q N 0.811 120.613 119.800 0.004 0.000 2.432 447 Q HA 0.381 4.721 4.340 -0.001 0.000 0.205 447 Q C 0.998 177.024 176.000 0.043 0.000 0.945 447 Q CA 0.487 56.307 55.803 0.029 0.000 0.924 447 Q CB -0.072 28.697 28.738 0.052 0.000 1.016 447 Q HN 0.742 nan 8.270 nan 0.000 0.503 448 A N 1.264 124.119 122.820 0.059 0.000 2.272 448 A HA 0.373 4.693 4.320 -0.001 0.000 0.275 448 A C 0.441 178.057 177.584 0.052 0.000 1.096 448 A CA -0.421 51.671 52.037 0.091 0.000 0.822 448 A CB 0.393 19.485 19.000 0.153 0.000 1.088 448 A HN 0.293 nan 8.150 nan 0.000 0.495 449 S N 0.030 115.769 115.700 0.066 0.000 2.580 449 S HA 0.088 4.558 4.470 -0.001 0.000 0.266 449 S C 0.764 175.380 174.600 0.027 0.000 1.354 449 S CA 0.442 58.669 58.200 0.045 0.000 1.008 449 S CB 0.388 63.622 63.200 0.058 0.000 0.898 449 S HN 0.632 nan 8.310 nan 0.000 0.555 450 K N 0.499 120.909 120.400 0.015 0.000 2.148 450 K HA -0.110 4.210 4.320 -0.001 0.000 0.204 450 K C 2.230 178.830 176.600 0.000 0.000 1.050 450 K CA 1.488 57.777 56.287 0.002 0.000 0.942 450 K CB -0.197 32.303 32.500 -0.000 0.000 0.724 450 K HN 0.825 nan 8.250 nan 0.000 0.446 451 E N 0.241 120.447 120.200 0.009 0.000 2.106 451 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 451 E C 1.509 178.105 176.600 -0.007 0.000 0.984 451 E CA 1.278 57.680 56.400 0.004 0.000 0.806 451 E CB 0.210 29.920 29.700 0.017 0.000 0.750 451 E HN 0.158 nan 8.360 nan 0.000 0.458 452 T N 0.730 115.291 114.554 0.011 0.000 2.777 452 T HA -0.142 4.208 4.350 -0.001 0.000 0.266 452 T C 1.776 176.475 174.700 -0.001 0.000 1.040 452 T CA 1.228 63.337 62.100 0.014 0.000 1.141 452 T CB -0.138 68.781 68.868 0.084 0.000 0.868 452 T HN 0.248 nan 8.240 nan 0.000 0.444 453 Q N 0.465 120.259 119.800 -0.010 0.000 2.096 453 Q HA -0.200 4.140 4.340 -0.001 0.000 0.204 453 Q C 2.495 178.468 176.000 -0.045 0.000 0.982 453 Q CA 1.463 57.240 55.803 -0.042 0.000 0.850 453 Q CB -0.191 28.520 28.738 -0.045 0.000 0.901 453 Q HN 0.357 nan 8.270 nan 0.000 0.422 454 Q N 0.984 120.761 119.800 -0.038 0.000 2.046 454 Q HA -0.143 4.197 4.340 -0.001 0.000 0.200 454 Q C 1.890 177.857 176.000 -0.056 0.000 0.975 454 Q CA 1.555 57.333 55.803 -0.042 0.000 0.836 454 Q CB -0.101 28.617 28.738 -0.032 0.000 0.896 454 Q HN 0.182 nan 8.270 nan 0.000 0.428 455 R N -0.586 119.876 120.500 -0.063 0.000 2.081 455 R HA -0.200 4.139 4.340 -0.001 0.000 0.235 455 R C 2.177 178.407 176.300 -0.118 0.000 1.131 455 R CA 1.810 57.857 56.100 -0.089 0.000 0.960 455 R CB -0.106 30.124 30.300 -0.118 0.000 0.856 455 R HN 0.277 nan 8.270 nan 0.000 0.436 456 Q N 0.573 120.305 119.800 -0.114 0.000 2.123 456 Q HA -0.035 4.305 4.340 -0.001 0.000 0.199 456 Q C 1.859 177.707 176.000 -0.254 0.000 0.966 456 Q CA 1.422 57.104 55.803 -0.202 0.000 0.845 456 Q CB -0.055 28.622 28.738 -0.102 0.000 0.907 456 Q HN 0.439 nan 8.270 nan 0.000 0.439 457 I N 0.502 121.028 120.570 -0.073 0.000 2.315 457 I HA -0.242 3.928 4.170 -0.001 0.000 0.248 457 I C 1.281 177.374 176.117 -0.040 0.000 1.117 457 I CA 1.089 62.405 61.300 0.026 0.000 1.404 457 I CB -0.208 37.789 38.000 -0.004 0.000 1.071 457 I HN 0.201 nan 8.210 nan 0.000 0.419 458 D N 0.538 120.885 120.400 -0.088 0.000 2.144 458 D HA -0.128 4.512 4.640 -0.001 0.000 0.200 458 D C 2.116 178.329 176.300 -0.146 0.000 0.978 458 D CA 1.054 54.993 54.000 -0.102 0.000 0.833 458 D CB -0.089 40.659 40.800 -0.087 0.000 0.961 458 D HN 0.137 nan 8.370 nan 0.000 0.470 459 L N 0.025 121.136 121.223 -0.187 0.000 2.017 459 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 459 L C 2.163 178.903 176.870 -0.218 0.000 1.073 459 L CA 1.241 55.967 54.840 -0.191 0.000 0.745 459 L CB -0.953 40.947 42.059 -0.265 0.000 0.894 459 L HN -0.027 nan 8.230 nan 0.000 0.432 460 F N -0.280 119.534 119.950 -0.226 0.000 2.171 460 F HA -0.193 4.333 4.527 -0.001 0.000 0.300 460 F C 2.550 178.151 175.800 -0.332 0.000 1.090 460 F CA 1.495 59.224 58.000 -0.452 0.000 1.293 460 F CB -1.607 37.023 39.000 -0.616 0.000 1.013 460 F HN 0.058 nan 8.300 nan 0.000 0.486 461 T N -0.302 114.218 114.554 -0.056 0.000 2.720 461 T HA -0.204 4.146 4.350 -0.001 0.000 0.268 461 T C 1.961 176.564 174.700 -0.162 0.000 1.037 461 T CA 1.388 63.435 62.100 -0.087 0.000 1.144 461 T CB -0.239 68.573 68.868 -0.093 0.000 0.864 461 T HN 0.207 nan 8.240 nan 0.000 0.444 462 K N 0.467 120.691 120.400 -0.293 0.000 2.209 462 K HA -0.015 4.305 4.320 -0.001 0.000 0.204 462 K C 2.189 178.526 176.600 -0.439 0.000 1.048 462 K CA 0.649 56.601 56.287 -0.558 0.000 0.940 462 K CB -0.166 31.639 32.500 -1.158 0.000 0.729 462 K HN 0.189 nan 8.250 nan 0.000 0.451 463 V N -0.461 119.367 119.914 -0.142 0.000 2.323 463 V HA -0.131 3.988 4.120 -0.001 0.000 0.244 463 V C 0.449 176.612 176.094 0.114 0.000 1.041 463 V CA 1.241 63.617 62.300 0.126 0.000 1.025 463 V CB -0.367 31.610 31.823 0.258 0.000 0.656 463 V HN 0.359 nan 8.190 nan 0.000 0.451 464 H N -1.266 117.763 119.070 -0.069 0.000 3.155 464 H HA 0.217 4.773 4.556 -0.001 0.000 0.328 464 H C -2.354 172.912 175.328 -0.104 0.000 1.059 464 H CA -0.962 55.019 56.048 -0.111 0.000 1.378 464 H CB 2.260 31.849 29.762 -0.288 0.000 1.998 464 H HN -0.180 nan 8.280 nan 0.000 0.480 465 P HA -0.204 nan 4.420 nan 0.000 0.217 465 P C 0.782 178.141 177.300 0.099 0.000 1.148 465 P CA 1.367 64.471 63.100 0.007 0.000 0.828 465 P CB 0.472 32.137 31.700 -0.058 0.000 0.783 466 E N -1.775 118.612 120.200 0.312 0.000 2.107 466 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 466 E C 2.100 178.725 176.600 0.043 0.000 0.982 466 E CA 0.546 57.053 56.400 0.179 0.000 0.809 466 E CB -0.478 29.378 29.700 0.261 0.000 0.756 466 E HN 0.177 nan 8.360 nan 0.000 0.459 467 Y N 1.286 121.456 120.300 -0.217 0.000 2.097 467 Y HA -0.164 4.386 4.550 -0.001 0.000 0.282 467 Y C 2.323 178.050 175.900 -0.288 0.000 1.152 467 Y CA 1.740 59.661 58.100 -0.299 0.000 1.136 467 Y CB -0.944 37.187 38.460 -0.549 0.000 0.975 467 Y HN -0.014 nan 8.280 nan 0.000 0.498 468 G N -0.628 108.166 108.800 -0.009 0.000 2.418 468 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.217 468 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.217 468 G C 1.874 176.686 174.900 -0.147 0.000 1.158 468 G CA 1.180 46.240 45.100 -0.067 0.000 0.771 468 G HN 0.586 nan 8.290 nan 0.000 0.545 469 A N 0.819 123.547 122.820 -0.153 0.000 1.930 469 A HA 0.194 4.514 4.320 -0.001 0.000 0.217 469 A C 2.679 180.059 177.584 -0.339 0.000 1.175 469 A CA 1.972 53.902 52.037 -0.179 0.000 0.627 469 A CB -0.930 18.005 19.000 -0.108 0.000 0.815 469 A HN 0.496 nan 8.150 nan 0.000 0.443 470 G N -0.686 107.722 108.800 -0.653 0.000 2.408 470 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.217 470 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.217 470 G C 1.453 175.761 174.900 -0.987 0.000 1.150 470 G CA 1.219 45.517 45.100 -1.336 0.000 0.776 470 G HN 0.314 nan 8.290 nan 0.000 0.542 471 V N 0.398 119.913 119.914 -0.665 0.000 2.453 471 V HA -0.093 4.027 4.120 -0.001 0.000 0.247 471 V C 2.517 178.489 176.094 -0.203 0.000 1.048 471 V CA 2.005 64.117 62.300 -0.314 0.000 1.049 471 V CB -0.144 31.517 31.823 -0.270 0.000 0.672 471 V HN 0.537 nan 8.190 nan 0.000 0.457 472 E N 0.363 120.448 120.200 -0.192 0.000 2.077 472 E HA -0.271 4.078 4.350 -0.001 0.000 0.193 472 E C 2.315 178.847 176.600 -0.114 0.000 0.989 472 E CA 1.487 57.812 56.400 -0.125 0.000 0.800 472 E CB -0.050 29.586 29.700 -0.107 0.000 0.746 472 E HN 0.526 nan 8.360 nan 0.000 0.452 473 K N -0.046 120.267 120.400 -0.145 0.000 2.001 473 K HA -0.113 4.206 4.320 -0.001 0.000 0.208 473 K C 2.084 178.642 176.600 -0.071 0.000 1.048 473 K CA 1.092 57.317 56.287 -0.103 0.000 0.932 473 K CB -0.189 32.241 32.500 -0.116 0.000 0.715 473 K HN 0.145 nan 8.250 nan 0.000 0.437 474 A N 1.283 124.056 122.820 -0.078 0.000 1.978 474 A HA -0.147 4.172 4.320 -0.001 0.000 0.220 474 A C 2.025 179.594 177.584 -0.025 0.000 1.170 474 A CA 1.339 53.364 52.037 -0.020 0.000 0.636 474 A CB -0.541 18.476 19.000 0.029 0.000 0.810 474 A HN 0.356 nan 8.150 nan 0.000 0.448 475 I N -0.980 119.560 120.570 -0.049 0.000 2.353 475 I HA -0.220 3.950 4.170 -0.001 0.000 0.248 475 I C 2.358 178.455 176.117 -0.033 0.000 1.119 475 I CA 1.378 62.651 61.300 -0.045 0.000 1.417 475 I CB -0.229 37.734 38.000 -0.062 0.000 1.078 475 I HN 0.286 nan 8.210 nan 0.000 0.421 476 K N 0.273 120.652 120.400 -0.035 0.000 2.211 476 K HA -0.082 4.238 4.320 -0.001 0.000 0.203 476 K C 1.985 178.575 176.600 -0.017 0.000 1.050 476 K CA 0.850 57.121 56.287 -0.026 0.000 0.945 476 K CB -0.004 32.478 32.500 -0.030 0.000 0.732 476 K HN 0.142 nan 8.250 nan 0.000 0.451 477 V N 1.692 121.597 119.914 -0.014 0.000 2.407 477 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 477 V C 1.957 178.049 176.094 -0.003 0.000 1.055 477 V CA 1.539 63.836 62.300 -0.005 0.000 1.049 477 V CB -0.406 31.418 31.823 0.003 0.000 0.662 477 V HN 0.222 nan 8.190 nan 0.000 0.455 478 L N -0.644 120.576 121.223 -0.005 0.000 2.157 478 L HA 0.473 4.812 4.340 -0.001 0.000 0.201 478 L C 0.879 177.746 176.870 -0.006 0.000 1.221 478 L CA 1.144 55.982 54.840 -0.003 0.000 0.915 478 L CB -0.470 41.588 42.059 -0.002 0.000 1.013 478 L HN 0.395 nan 8.230 nan 0.000 0.522 479 E N 0.000 120.195 120.200 -0.009 0.000 2.725 479 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 479 E CA 0.000 nan 56.400 nan 0.000 0.976 479 E CB 0.000 nan 29.700 nan 0.000 0.812 479 E HN 0.000 nan 8.360 nan 0.000 0.440