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 1h6n_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 YGSHTYSFIN DATA SEQUENCE KDNERFWVKF HFRCQQGIKN 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 0.000 176.581 176.600 -0.031 0.000 0.988 4 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 4 K CB 0.000 32.490 32.500 -0.016 0.000 1.064 5 K N 2.393 122.769 120.400 -0.041 0.000 2.248 5 K HA 0.284 4.604 4.320 -0.001 0.000 0.281 5 K C -0.819 175.731 176.600 -0.084 0.000 1.054 5 K CA -0.514 55.736 56.287 -0.061 0.000 0.903 5 K CB 0.858 33.323 32.500 -0.058 0.000 1.077 5 K HN -0.003 nan 8.250 nan 0.000 0.474 6 L N 3.802 124.955 121.223 -0.115 0.000 2.513 6 L HA 0.187 4.526 4.340 -0.001 0.000 0.272 6 L C -0.012 176.716 176.870 -0.236 0.000 1.187 6 L CA 1.034 55.770 54.840 -0.173 0.000 0.895 6 L CB -0.028 41.894 42.059 -0.228 0.000 1.147 6 L HN 0.856 nan 8.230 nan 0.000 0.483 7 T N 0.543 114.969 114.554 -0.213 0.000 2.887 7 T HA 0.702 5.051 4.350 -0.001 0.000 0.292 7 T C 0.116 174.706 174.700 -0.184 0.000 1.087 7 T CA -0.185 61.794 62.100 -0.201 0.000 1.009 7 T CB 1.221 70.028 68.868 -0.102 0.000 1.203 7 T HN 0.774 nan 8.240 nan 0.000 0.518 8 T N -0.974 113.516 114.554 -0.106 0.000 2.754 8 T HA 0.558 4.907 4.350 -0.001 0.000 0.286 8 T C 1.840 176.575 174.700 0.058 0.000 0.997 8 T CA -0.259 61.882 62.100 0.067 0.000 0.982 8 T CB 0.258 69.194 68.868 0.113 0.000 1.027 8 T HN 1.056 nan 8.240 nan 0.000 0.529 9 A N 0.391 123.258 122.820 0.078 0.000 2.070 9 A HA 0.258 4.578 4.320 -0.001 0.000 0.220 9 A C 2.371 179.979 177.584 0.040 0.000 1.159 9 A CA 1.388 53.444 52.037 0.033 0.000 0.656 9 A CB -1.285 17.726 19.000 0.019 0.000 0.800 9 A HN 1.227 nan 8.150 nan 0.000 0.453 10 A N -1.986 120.863 122.820 0.049 0.000 2.275 10 A HA 0.440 4.760 4.320 -0.001 0.000 0.212 10 A C 1.659 179.254 177.584 0.019 0.000 1.201 10 A CA 1.064 53.123 52.037 0.037 0.000 0.843 10 A CB -0.764 18.263 19.000 0.045 0.000 0.873 10 A HN 1.806 nan 8.150 nan 0.000 0.492 11 G N -2.010 106.795 108.800 0.008 0.000 2.157 11 G HA2 0.106 4.066 3.960 -0.001 0.000 0.248 11 G HA3 0.106 4.066 3.960 -0.001 0.000 0.248 11 G C 0.351 175.238 174.900 -0.022 0.000 0.979 11 G CA 0.239 45.334 45.100 -0.009 0.000 0.650 11 G HN 1.560 nan 8.290 nan 0.000 0.529 12 A N 0.884 123.691 122.820 -0.022 0.000 2.304 12 A HA 0.823 5.143 4.320 -0.001 0.000 0.301 12 A C -1.640 175.895 177.584 -0.082 0.000 1.132 12 A CA -1.288 50.728 52.037 -0.036 0.000 0.819 12 A CB 0.983 19.975 19.000 -0.013 0.000 1.094 12 A HN 0.190 nan 8.150 nan 0.000 0.492 13 P HA 0.190 nan 4.420 nan 0.000 0.271 13 P C -0.624 176.556 177.300 -0.200 0.000 1.216 13 P CA 0.043 63.060 63.100 -0.138 0.000 0.776 13 P CB 0.832 32.473 31.700 -0.099 0.000 0.881 14 V N 4.575 124.296 119.914 -0.321 0.000 2.385 14 V HA 0.013 4.133 4.120 -0.001 0.000 0.269 14 V C 1.768 177.680 176.094 -0.303 0.000 1.043 14 V CA -0.094 61.920 62.300 -0.476 0.000 0.906 14 V CB 1.189 32.440 31.823 -0.954 0.000 0.995 14 V HN 0.354 nan 8.190 nan 0.000 0.467 15 V N 2.584 122.375 119.914 -0.204 0.000 2.346 15 V HA 0.020 4.140 4.120 -0.001 0.000 0.244 15 V C 0.726 176.761 176.094 -0.097 0.000 1.037 15 V CA 1.562 63.792 62.300 -0.116 0.000 1.029 15 V CB -0.041 31.745 31.823 -0.061 0.000 0.663 15 V HN 0.932 nan 8.190 nan 0.000 0.454 16 D N -0.819 119.532 120.400 -0.081 0.000 2.686 16 D HA 0.185 4.825 4.640 -0.001 0.000 0.249 16 D C -0.193 176.131 176.300 0.040 0.000 1.260 16 D CA -0.266 53.725 54.000 -0.015 0.000 0.910 16 D CB 1.124 41.941 40.800 0.029 0.000 1.323 16 D HN 0.126 nan 8.370 nan 0.000 0.561 17 N N 3.140 121.866 118.700 0.043 0.000 2.214 17 N HA 0.106 4.845 4.740 -0.001 0.000 0.214 17 N C -0.077 175.539 175.510 0.176 0.000 1.132 17 N CA -0.090 53.075 53.050 0.192 0.000 0.856 17 N CB 0.410 38.961 38.487 0.107 0.000 1.020 17 N HN 0.317 nan 8.380 nan 0.000 0.509 18 N N -0.362 118.406 118.700 0.113 0.000 2.211 18 N HA 0.107 4.846 4.740 -0.001 0.000 0.216 18 N C -0.863 174.687 175.510 0.067 0.000 1.240 18 N CA 0.006 53.103 53.050 0.079 0.000 0.895 18 N CB 0.622 39.136 38.487 0.045 0.000 1.102 18 N HN 0.115 nan 8.380 nan 0.000 0.498 19 N N 1.572 120.315 118.700 0.073 0.000 2.352 19 N HA 0.208 4.947 4.740 -0.001 0.000 0.291 19 N C -0.105 175.441 175.510 0.060 0.000 1.040 19 N CA -0.286 52.793 53.050 0.048 0.000 0.864 19 N CB 3.206 41.709 38.487 0.027 0.000 1.440 19 N HN -0.163 nan 8.380 nan 0.000 0.483 20 V N -0.248 119.680 119.914 0.023 0.000 3.264 20 V HA 0.504 4.624 4.120 -0.001 0.000 0.304 20 V C 0.727 176.809 176.094 -0.019 0.000 1.086 20 V CA -0.666 61.630 62.300 -0.007 0.000 1.090 20 V CB 0.526 32.255 31.823 -0.156 0.000 1.112 20 V HN 0.449 nan 8.190 nan 0.000 0.472 21 I N 2.645 123.201 120.570 -0.023 0.000 2.371 21 I HA 0.459 4.629 4.170 -0.001 0.000 0.290 21 I C 0.513 176.602 176.117 -0.048 0.000 1.028 21 I CA 0.215 61.505 61.300 -0.017 0.000 1.345 21 I CB 1.169 39.173 38.000 0.006 0.000 1.407 21 I HN 1.023 nan 8.210 nan 0.000 0.501 22 T N 2.232 116.764 114.554 -0.036 0.000 2.906 22 T HA 0.656 5.006 4.350 -0.001 0.000 0.295 22 T C -0.265 174.419 174.700 -0.027 0.000 1.075 22 T CA -1.020 61.054 62.100 -0.043 0.000 1.005 22 T CB 1.913 70.752 68.868 -0.047 0.000 1.136 22 T HN 0.570 nan 8.240 nan 0.000 0.498 23 A N 1.396 124.200 122.820 -0.027 0.000 2.915 23 A HA 0.677 4.997 4.320 -0.001 0.000 0.292 23 A C 1.217 178.792 177.584 -0.016 0.000 1.632 23 A CA 0.257 52.284 52.037 -0.018 0.000 1.337 23 A CB -1.655 17.335 19.000 -0.017 0.000 1.111 23 A HN 2.199 nan 8.150 nan 0.000 0.569 24 G N 3.014 111.806 108.800 -0.014 0.000 2.730 24 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.686 24 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.686 24 G C -1.232 173.659 174.900 -0.015 0.000 1.343 24 G CA -0.300 44.793 45.100 -0.012 0.000 0.826 24 G HN 0.402 nan 8.290 nan 0.000 0.582 25 P HA -0.124 nan 4.420 nan 0.000 0.216 25 P C 1.117 178.408 177.300 -0.016 0.000 1.150 25 P CA 1.383 64.475 63.100 -0.013 0.000 0.837 25 P CB 0.111 31.806 31.700 -0.009 0.000 0.786 26 R N -0.306 120.185 120.500 -0.015 0.000 2.613 26 R HA 0.340 4.679 4.340 -0.001 0.000 0.361 26 R C 1.005 177.294 176.300 -0.019 0.000 1.072 26 R CA -0.229 55.861 56.100 -0.016 0.000 1.089 26 R CB 0.791 31.083 30.300 -0.013 0.000 1.343 26 R HN 0.151 nan 8.270 nan 0.000 0.571 27 G N 1.765 110.552 108.800 -0.022 0.000 2.511 27 G HA2 0.384 4.343 3.960 -0.001 0.000 0.316 27 G HA3 0.384 4.343 3.960 -0.001 0.000 0.316 27 G C -2.338 172.542 174.900 -0.033 0.000 1.210 27 G CA -1.086 44.000 45.100 -0.024 0.000 0.969 27 G HN -0.101 nan 8.290 nan 0.000 0.492 28 P HA 0.124 nan 4.420 nan 0.000 0.272 28 P C -0.046 177.217 177.300 -0.060 0.000 1.230 28 P CA -0.152 62.921 63.100 -0.045 0.000 0.788 28 P CB 0.815 32.495 31.700 -0.034 0.000 0.949 29 M N 0.925 120.472 119.600 -0.088 0.000 2.245 29 M HA 0.103 4.583 4.480 -0.001 0.000 0.344 29 M C 0.147 176.395 176.300 -0.086 0.000 1.170 29 M CA -0.143 55.084 55.300 -0.123 0.000 1.135 29 M CB -0.010 32.459 32.600 -0.218 0.000 1.574 29 M HN 0.195 nan 8.290 nan 0.000 0.452 30 L N 2.378 123.557 121.223 -0.073 0.000 2.325 30 L HA 0.161 4.501 4.340 -0.001 0.000 0.279 30 L C 0.709 177.567 176.870 -0.021 0.000 1.054 30 L CA 0.090 54.909 54.840 -0.034 0.000 0.804 30 L CB 1.230 43.279 42.059 -0.017 0.000 1.200 30 L HN 0.663 nan 8.230 nan 0.000 0.436 31 L N 2.262 123.488 121.223 0.005 0.000 2.201 31 L HA -0.157 4.182 4.340 -0.001 0.000 0.212 31 L C 2.176 179.081 176.870 0.057 0.000 1.105 31 L CA 1.484 56.345 54.840 0.035 0.000 0.775 31 L CB -0.592 41.487 42.059 0.034 0.000 0.913 31 L HN 0.890 nan 8.230 nan 0.000 0.440 32 Q N -1.286 118.541 119.800 0.045 0.000 2.541 32 Q HA -0.138 4.202 4.340 -0.001 0.000 0.215 32 Q C 0.110 176.159 176.000 0.082 0.000 0.977 32 Q CA 0.490 56.328 55.803 0.058 0.000 0.934 32 Q CB -0.666 28.098 28.738 0.042 0.000 0.988 32 Q HN 0.376 nan 8.270 nan 0.000 0.521 33 D N 1.938 122.395 120.400 0.095 0.000 2.498 33 D HA 0.007 4.646 4.640 -0.001 0.000 0.229 33 D C 1.254 177.678 176.300 0.207 0.000 1.188 33 D CA -0.168 53.918 54.000 0.143 0.000 1.028 33 D CB 1.105 41.972 40.800 0.113 0.000 1.087 33 D HN 0.203 nan 8.370 nan 0.000 0.510 34 V N 2.473 122.496 119.914 0.182 0.000 2.626 34 V HA -0.097 4.022 4.120 -0.001 0.000 0.252 34 V C 2.105 178.330 176.094 0.219 0.000 1.067 34 V CA 0.760 63.164 62.300 0.174 0.000 1.081 34 V CB -0.985 30.923 31.823 0.142 0.000 0.686 34 V HN 0.610 nan 8.190 nan 0.000 0.468 35 W N 0.509 121.858 121.300 0.082 0.000 2.381 35 W HA -0.206 4.454 4.660 -0.000 0.000 0.301 35 W C 2.300 178.861 176.519 0.069 0.000 1.205 35 W CA 1.449 58.828 57.345 0.057 0.000 1.285 35 W CB -0.325 29.165 29.460 0.049 0.000 1.133 35 W HN 0.387 nan 8.180 nan 0.000 0.521 36 F N 1.855 121.719 119.950 -0.143 0.000 2.095 36 F HA -0.265 4.262 4.527 -0.001 0.000 0.298 36 F C 2.273 177.931 175.800 -0.237 0.000 1.104 36 F CA 2.437 60.286 58.000 -0.253 0.000 1.232 36 F CB -0.941 38.008 39.000 -0.084 0.000 0.987 36 F HN -0.223 nan 8.300 nan 0.000 0.475 37 L N 0.187 121.299 121.223 -0.184 0.000 2.012 37 L HA -0.239 4.101 4.340 -0.001 0.000 0.210 37 L C 2.608 179.314 176.870 -0.273 0.000 1.073 37 L CA 2.106 56.812 54.840 -0.223 0.000 0.748 37 L CB -0.998 41.069 42.059 0.014 0.000 0.891 37 L HN 0.296 nan 8.230 nan 0.000 0.431 38 E N 0.652 120.731 120.200 -0.202 0.000 2.031 38 E HA -0.291 4.059 4.350 -0.001 0.000 0.193 38 E C 2.273 178.707 176.600 -0.276 0.000 0.994 38 E CA 1.486 57.810 56.400 -0.127 0.000 0.800 38 E CB 0.038 29.718 29.700 -0.033 0.000 0.752 38 E HN 0.278 nan 8.360 nan 0.000 0.447 39 K N 0.053 120.008 120.400 -0.742 0.000 2.026 39 K HA -0.144 4.176 4.320 -0.001 0.000 0.208 39 K C 2.188 178.534 176.600 -0.423 0.000 1.048 39 K CA 1.122 56.931 56.287 -0.796 0.000 0.929 39 K CB -0.009 31.723 32.500 -1.281 0.000 0.713 39 K HN 0.187 nan 8.250 nan 0.000 0.439 40 L N 0.530 121.437 121.223 -0.527 0.000 2.156 40 L HA -0.055 4.285 4.340 -0.001 0.000 0.208 40 L C 2.516 179.317 176.870 -0.116 0.000 1.095 40 L CA 1.580 56.215 54.840 -0.342 0.000 0.770 40 L CB -1.291 40.385 42.059 -0.638 0.000 0.914 40 L HN 0.277 nan 8.230 nan 0.000 0.439 41 A N -1.065 121.657 122.820 -0.164 0.000 1.902 41 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 41 A C 2.130 179.657 177.584 -0.096 0.000 1.181 41 A CA 1.213 53.182 52.037 -0.113 0.000 0.623 41 A CB -0.710 18.218 19.000 -0.120 0.000 0.818 41 A HN 0.448 nan 8.150 nan 0.000 0.443 42 H N -2.390 116.615 119.070 -0.109 0.000 2.357 42 H HA -0.117 4.439 4.556 -0.001 0.000 0.301 42 H C 2.016 177.311 175.328 -0.054 0.000 1.082 42 H CA 1.775 57.775 56.048 -0.080 0.000 1.342 42 H CB -0.329 29.387 29.762 -0.077 0.000 1.389 42 H HN 0.620 nan 8.280 nan 0.000 0.511 43 F N 2.581 122.497 119.950 -0.057 0.000 2.126 43 F HA -0.193 4.333 4.527 -0.001 0.000 0.299 43 F C 1.720 177.464 175.800 -0.094 0.000 1.096 43 F CA 1.347 59.292 58.000 -0.091 0.000 1.255 43 F CB -0.218 38.707 39.000 -0.125 0.000 0.997 43 F HN -0.045 nan 8.300 nan 0.000 0.479 44 D N 0.262 120.548 120.400 -0.190 0.000 2.309 44 D HA -0.103 4.537 4.640 -0.001 0.000 0.212 44 D C 1.436 177.578 176.300 -0.263 0.000 0.968 44 D CA 0.998 54.832 54.000 -0.277 0.000 0.882 44 D CB -0.216 40.518 40.800 -0.111 0.000 0.918 44 D HN 0.425 nan 8.370 nan 0.000 0.503 45 R N 0.048 120.413 120.500 -0.224 0.000 2.652 45 R HA 0.198 4.538 4.340 -0.001 0.000 0.372 45 R C 1.140 177.330 176.300 -0.183 0.000 1.104 45 R CA -0.115 55.874 56.100 -0.185 0.000 1.072 45 R CB 0.605 30.805 30.300 -0.166 0.000 1.367 45 R HN 0.121 nan 8.270 nan 0.000 0.577 46 E N 0.654 120.710 120.200 -0.240 0.000 2.106 46 E HA -0.091 4.259 4.350 -0.001 0.000 0.192 46 E C 0.891 177.351 176.600 -0.233 0.000 0.984 46 E CA 1.019 57.268 56.400 -0.251 0.000 0.806 46 E CB 0.328 29.866 29.700 -0.269 0.000 0.750 46 E HN 0.065 nan 8.360 nan 0.000 0.458 47 V N 1.699 121.514 119.914 -0.164 0.000 2.567 47 V HA 0.364 4.483 4.120 -0.001 0.000 0.289 47 V C -0.136 175.956 176.094 -0.005 0.000 1.049 47 V CA -0.667 61.598 62.300 -0.058 0.000 0.969 47 V CB 0.773 32.566 31.823 -0.050 0.000 0.995 47 V HN 0.144 nan 8.190 nan 0.000 0.471 48 I N 3.056 123.677 120.570 0.084 0.000 2.982 48 I HA 0.766 4.936 4.170 -0.001 0.000 0.312 48 I C -2.576 173.554 176.117 0.021 0.000 1.041 48 I CA -2.862 58.464 61.300 0.043 0.000 1.053 48 I CB 1.615 39.665 38.000 0.084 0.000 1.248 48 I HN 0.385 nan 8.210 nan 0.000 0.471 49 P HA 0.095 nan 4.420 nan 0.000 0.268 49 P C -0.950 176.370 177.300 0.032 0.000 1.204 49 P CA -0.084 63.015 63.100 -0.001 0.000 0.768 49 P CB 0.429 32.102 31.700 -0.044 0.000 0.842 50 E N 2.924 123.161 120.200 0.061 0.000 2.391 50 E HA 0.190 4.539 4.350 -0.001 0.000 0.255 50 E C -0.467 176.179 176.600 0.077 0.000 1.187 50 E CA -0.813 55.630 56.400 0.072 0.000 0.941 50 E CB 0.576 30.325 29.700 0.081 0.000 1.010 50 E HN 0.263 nan 8.360 nan 0.000 0.458 51 R N 0.922 121.469 120.500 0.079 0.000 2.537 51 R HA 0.093 4.433 4.340 -0.001 0.000 0.280 51 R C 0.415 176.770 176.300 0.092 0.000 1.058 51 R CA -0.467 55.682 56.100 0.083 0.000 1.057 51 R CB 0.390 30.746 30.300 0.093 0.000 0.973 51 R HN 0.437 nan 8.270 nan 0.000 0.438 55 A N 0.830 123.748 122.820 0.163 0.000 1.969 55 A HA -0.092 4.228 4.320 -0.001 0.000 0.218 55 A C 1.416 179.089 177.584 0.148 0.000 1.169 55 A CA 1.176 53.294 52.037 0.136 0.000 0.635 55 A CB 0.041 19.105 19.000 0.107 0.000 0.810 55 A HN 0.120 nan 8.150 nan 0.000 0.445 56 K N 0.196 120.687 120.400 0.152 0.000 2.253 56 K HA 0.529 4.848 4.320 -0.001 0.000 0.277 56 K C -0.062 176.667 176.600 0.215 0.000 1.053 56 K CA 0.615 57.007 56.287 0.174 0.000 0.892 56 K CB 0.651 33.241 32.500 0.150 0.000 1.102 56 K HN 0.305 nan 8.250 nan 0.000 0.469 57 G N 0.944 109.891 108.800 0.245 0.000 2.649 57 G HA2 0.559 4.519 3.960 -0.001 0.000 0.290 57 G HA3 0.559 4.519 3.960 -0.001 0.000 0.290 57 G C -1.498 173.584 174.900 0.302 0.000 1.426 57 G CA -0.765 44.468 45.100 0.222 0.000 0.794 57 G HN 0.489 nan 8.290 nan 0.000 0.483 58 S N -1.655 114.152 115.700 0.179 0.000 2.549 58 S HA 0.879 5.349 4.470 -0.001 0.000 0.280 58 S C -0.040 174.512 174.600 -0.081 0.000 1.109 58 S CA -0.214 58.127 58.200 0.235 0.000 0.905 58 S CB 1.976 65.423 63.200 0.412 0.000 1.081 58 S HN 1.333 nan 8.310 nan 0.000 0.477 59 G N 0.190 108.954 108.800 -0.059 0.000 2.605 59 G HA2 0.868 4.827 3.960 -0.001 0.000 0.296 59 G HA3 0.868 4.827 3.960 -0.001 0.000 0.296 59 G C -1.521 173.217 174.900 -0.270 0.000 1.304 59 G CA -0.741 44.126 45.100 -0.389 0.000 0.941 59 G HN 1.073 nan 8.290 nan 0.000 0.475 60 A N -0.328 122.134 122.820 -0.596 0.000 2.577 60 A HA 0.690 5.010 4.320 -0.001 0.000 0.297 60 A C -1.597 175.763 177.584 -0.373 0.000 1.060 60 A CA -0.720 51.155 52.037 -0.270 0.000 0.697 60 A CB 0.794 19.729 19.000 -0.107 0.000 1.281 60 A HN 0.586 nan 8.150 nan 0.000 0.402 61 F N 1.009 121.010 119.950 0.085 0.000 2.379 61 F HA 0.701 5.228 4.527 -0.001 0.000 0.332 61 F C 1.225 177.036 175.800 0.019 0.000 1.096 61 F CA 1.174 59.244 58.000 0.116 0.000 1.105 61 F CB 2.110 41.194 39.000 0.139 0.000 1.189 61 F HN 0.920 nan 8.300 nan 0.000 0.515 62 G N 0.124 109.063 108.800 0.230 0.000 2.731 62 G HA2 0.623 4.583 3.960 -0.001 0.000 0.309 62 G HA3 0.623 4.583 3.960 -0.001 0.000 0.309 62 G C -1.675 173.348 174.900 0.205 0.000 1.273 62 G CA -0.751 44.454 45.100 0.174 0.000 0.798 62 G HN 0.503 nan 8.290 nan 0.000 0.509 63 T N 0.112 114.812 114.554 0.242 0.000 2.916 63 T HA 0.535 4.885 4.350 -0.001 0.000 0.298 63 T C -1.713 173.189 174.700 0.337 0.000 1.031 63 T CA -0.235 62.017 62.100 0.253 0.000 0.993 63 T CB 1.928 70.895 68.868 0.165 0.000 1.045 63 T HN 0.534 nan 8.240 nan 0.000 0.454 64 F N 2.296 122.381 119.950 0.224 0.000 2.443 64 F HA 0.660 5.187 4.527 -0.001 0.000 0.335 64 F C -0.352 175.470 175.800 0.036 0.000 1.104 64 F CA -0.234 57.901 58.000 0.225 0.000 1.013 64 F CB 1.465 40.714 39.000 0.414 0.000 1.136 64 F HN 0.461 nan 8.300 nan 0.000 0.470 65 T N 5.612 119.521 114.554 -1.076 0.000 2.841 65 T HA 0.403 4.752 4.350 -0.001 0.000 0.285 65 T C -0.859 173.332 174.700 -0.848 0.000 0.991 65 T CA -0.588 61.055 62.100 -0.762 0.000 0.966 65 T CB 1.426 69.914 68.868 -0.633 0.000 0.962 65 T HN 0.381 nan 8.240 nan 0.000 0.438 66 V N 4.025 123.760 119.914 -0.299 0.000 2.555 66 V HA 0.236 4.355 4.120 -0.001 0.000 0.286 66 V C 1.628 177.726 176.094 0.005 0.000 1.044 66 V CA 0.247 62.542 62.300 -0.009 0.000 1.026 66 V CB 0.907 32.864 31.823 0.225 0.000 0.981 66 V HN 1.177 nan 8.190 nan 0.000 0.480 67 T N 0.497 115.102 114.554 0.086 0.000 2.969 67 T HA 0.242 4.591 4.350 -0.001 0.000 0.250 67 T C 0.380 174.951 174.700 -0.216 0.000 1.021 67 T CA 0.128 62.237 62.100 0.015 0.000 1.003 67 T CB 0.094 69.053 68.868 0.152 0.000 1.040 67 T HN 0.661 nan 8.240 nan 0.000 0.492 68 H N 0.516 119.634 119.070 0.080 0.000 2.821 68 H HA 0.620 5.175 4.556 -0.001 0.000 0.373 68 H C -1.398 173.961 175.328 0.052 0.000 1.165 68 H CA -0.982 55.102 56.048 0.059 0.000 1.154 68 H CB 1.413 31.208 29.762 0.055 0.000 1.765 68 H HN 0.012 nan 8.280 nan 0.000 0.549 69 D N 2.276 122.757 120.400 0.135 0.000 2.316 69 D HA 0.097 4.736 4.640 -0.001 0.000 0.245 69 D C 0.451 176.773 176.300 0.038 0.000 1.171 69 D CA -0.184 53.856 54.000 0.068 0.000 0.856 69 D CB 0.580 41.395 40.800 0.025 0.000 1.090 69 D HN 0.675 nan 8.370 nan 0.000 0.476 70 I N 0.945 121.521 120.570 0.010 0.000 3.817 70 I HA 0.137 4.306 4.170 -0.001 0.000 0.325 70 I C 1.407 177.459 176.117 -0.109 0.000 1.550 70 I CA -0.468 60.817 61.300 -0.026 0.000 1.100 70 I CB 0.262 38.283 38.000 0.036 0.000 1.216 70 I HN 0.154 nan 8.210 nan 0.000 0.481 71 T N -0.796 113.701 114.554 -0.095 0.000 2.897 71 T HA -0.208 4.142 4.350 -0.001 0.000 0.271 71 T C 1.758 176.357 174.700 -0.168 0.000 1.084 71 T CA 1.698 63.738 62.100 -0.100 0.000 1.123 71 T CB -0.396 68.439 68.868 -0.055 0.000 0.865 71 T HN 0.713 nan 8.240 nan 0.000 0.496 72 K N 0.039 120.262 120.400 -0.295 0.000 2.209 72 K HA -0.154 4.165 4.320 -0.001 0.000 0.204 72 K C 1.381 177.676 176.600 -0.508 0.000 1.048 72 K CA 1.277 57.313 56.287 -0.418 0.000 0.940 72 K CB -0.385 31.744 32.500 -0.618 0.000 0.729 72 K HN 0.459 nan 8.250 nan 0.000 0.451 73 Y N 0.782 120.892 120.300 -0.318 0.000 2.500 73 Y HA 0.202 4.752 4.550 -0.001 0.000 0.284 73 Y C 1.015 176.769 175.900 -0.244 0.000 1.118 73 Y CA 0.284 58.082 58.100 -0.504 0.000 1.241 73 Y CB 0.487 38.687 38.460 -0.433 0.000 1.171 73 Y HN 0.014 nan 8.280 nan 0.000 0.540 74 T N 0.433 114.876 114.554 -0.186 0.000 2.912 74 T HA 0.372 4.722 4.350 -0.001 0.000 0.299 74 T C 0.442 175.044 174.700 -0.163 0.000 1.052 74 T CA -0.846 61.069 62.100 -0.310 0.000 0.996 74 T CB 1.276 69.561 68.868 -0.971 0.000 1.070 74 T HN 0.366 nan 8.240 nan 0.000 0.465 75 R N 2.553 122.991 120.500 -0.104 0.000 2.317 75 R HA 0.553 4.893 4.340 -0.001 0.000 0.208 75 R C 0.822 177.085 176.300 -0.062 0.000 0.914 75 R CA -0.159 55.913 56.100 -0.048 0.000 1.060 75 R CB -0.087 30.213 30.300 0.001 0.000 1.015 75 R HN 0.499 nan 8.270 nan 0.000 0.498 76 A N 2.445 125.182 122.820 -0.137 0.000 2.561 76 A HA 0.018 4.338 4.320 -0.001 0.000 0.251 76 A C 0.679 178.143 177.584 -0.200 0.000 1.062 76 A CA -0.160 51.745 52.037 -0.219 0.000 0.761 76 A CB 0.348 19.110 19.000 -0.396 0.000 0.986 76 A HN 0.199 nan 8.150 nan 0.000 0.510 77 K N 2.508 122.808 120.400 -0.165 0.000 2.281 77 K HA -0.161 4.159 4.320 -0.001 0.000 0.203 77 K C 1.564 178.064 176.600 -0.167 0.000 1.046 77 K CA 1.351 57.570 56.287 -0.113 0.000 0.938 77 K CB -0.373 32.088 32.500 -0.064 0.000 0.737 77 K HN 0.882 nan 8.250 nan 0.000 0.458 78 I N -0.096 120.254 120.570 -0.367 0.000 2.493 78 I HA -0.220 3.949 4.170 -0.001 0.000 0.254 78 I C 0.610 176.514 176.117 -0.356 0.000 1.160 78 I CA 1.228 62.252 61.300 -0.460 0.000 1.445 78 I CB 0.124 37.627 38.000 -0.829 0.000 1.086 78 I HN -0.071 nan 8.210 nan 0.000 0.433 79 F N 0.092 120.014 119.950 -0.047 0.000 2.653 79 F HA 0.167 4.694 4.527 -0.001 0.000 0.304 79 F C 2.468 178.262 175.800 -0.010 0.000 1.092 79 F CA 0.327 58.330 58.000 0.005 0.000 1.279 79 F CB -0.855 38.109 39.000 -0.061 0.000 1.044 79 F HN 0.057 nan 8.300 nan 0.000 0.564 80 S N -0.204 115.549 115.700 0.089 0.000 2.402 80 S HA -0.157 4.313 4.470 -0.001 0.000 0.233 80 S C 0.431 175.066 174.600 0.058 0.000 1.030 80 S CA 1.067 59.299 58.200 0.052 0.000 1.003 80 S CB -0.392 62.818 63.200 0.017 0.000 0.813 80 S HN 0.472 nan 8.310 nan 0.000 0.477 81 E N -0.331 119.914 120.200 0.076 0.000 2.366 81 E HA 0.559 4.908 4.350 -0.001 0.000 0.278 81 E C -1.603 175.041 176.600 0.073 0.000 0.923 81 E CA -0.822 55.614 56.400 0.060 0.000 0.761 81 E CB 2.419 32.143 29.700 0.040 0.000 1.231 81 E HN 0.006 nan 8.360 nan 0.000 0.443 82 V N 2.204 122.148 119.914 0.050 0.000 2.572 82 V HA 0.350 4.470 4.120 -0.001 0.000 0.291 82 V C 1.369 177.479 176.094 0.027 0.000 1.039 82 V CA 1.664 63.986 62.300 0.036 0.000 1.055 82 V CB 0.511 32.335 31.823 0.001 0.000 0.969 82 V HN 1.051 nan 8.190 nan 0.000 0.482 83 G N 3.866 112.679 108.800 0.023 0.000 2.194 83 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.236 83 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.236 83 G C 0.396 175.311 174.900 0.025 0.000 0.987 83 G CA 0.244 45.355 45.100 0.017 0.000 0.635 83 G HN 0.731 nan 8.290 nan 0.000 0.520 84 K N 1.417 121.845 120.400 0.046 0.000 2.416 84 K HA 0.325 4.644 4.320 -0.001 0.000 0.283 84 K C 0.179 176.822 176.600 0.073 0.000 1.037 84 K CA 0.003 56.328 56.287 0.063 0.000 0.995 84 K CB 0.261 32.811 32.500 0.083 0.000 0.938 84 K HN 0.032 nan 8.250 nan 0.000 0.475 85 K N 2.877 123.321 120.400 0.072 0.000 2.130 85 K HA 0.285 4.604 4.320 -0.001 0.000 0.268 85 K C -0.699 175.989 176.600 0.147 0.000 0.983 85 K CA -0.520 55.823 56.287 0.093 0.000 0.893 85 K CB 1.983 34.526 32.500 0.072 0.000 1.066 85 K HN 0.570 nan 8.250 nan 0.000 0.450 86 T N 2.078 116.769 114.554 0.228 0.000 2.928 86 T HA 0.163 4.513 4.350 -0.001 0.000 0.296 86 T C -0.632 174.248 174.700 0.300 0.000 1.000 86 T CA -0.821 61.432 62.100 0.254 0.000 0.989 86 T CB 1.692 70.728 68.868 0.279 0.000 1.005 86 T HN 0.252 nan 8.240 nan 0.000 0.442 87 E N 2.993 123.352 120.200 0.266 0.000 2.373 87 E HA 0.472 4.822 4.350 -0.001 0.000 0.267 87 E C 0.015 176.848 176.600 0.389 0.000 1.032 87 E CA -0.119 56.464 56.400 0.304 0.000 0.889 87 E CB 0.840 30.686 29.700 0.243 0.000 0.984 87 E HN 0.643 nan 8.360 nan 0.000 0.425 88 M N 0.876 120.651 119.600 0.292 0.000 2.755 88 M HA 0.670 5.149 4.480 -0.001 0.000 0.273 88 M C -1.336 175.001 176.300 0.062 0.000 1.278 88 M CA -1.056 54.227 55.300 -0.028 0.000 0.819 88 M CB 1.562 33.938 32.600 -0.375 0.000 1.694 88 M HN 0.252 nan 8.290 nan 0.000 0.460 89 F N 0.354 120.020 119.950 -0.474 0.000 2.591 89 F HA 0.946 5.473 4.527 -0.001 0.000 0.309 89 F C -1.876 173.507 175.800 -0.695 0.000 1.098 89 F CA -0.588 57.092 58.000 -0.534 0.000 0.937 89 F CB 1.843 40.527 39.000 -0.526 0.000 1.250 89 F HN 1.124 nan 8.300 nan 0.000 0.447 90 A N 5.278 127.085 122.820 -1.688 0.000 2.435 90 A HA 0.864 5.184 4.320 -0.001 0.000 0.304 90 A C -1.468 174.982 177.584 -1.890 0.000 1.064 90 A CA -0.904 50.140 52.037 -1.655 0.000 0.727 90 A CB 1.752 19.794 19.000 -1.597 0.000 1.284 90 A HN 0.872 nan 8.150 nan 0.000 0.415 91 R N 1.771 121.344 120.500 -1.545 0.000 2.502 91 R HA 0.575 4.915 4.340 -0.001 0.000 0.298 91 R C -1.984 173.652 176.300 -1.106 0.000 1.018 91 R CA -0.351 55.071 56.100 -1.129 0.000 0.899 91 R CB 0.693 30.666 30.300 -0.546 0.000 1.181 91 R HN 0.548 nan 8.270 nan 0.000 0.444 92 F N 1.702 121.197 119.950 -0.759 0.000 2.425 92 F HA 0.599 5.126 4.527 -0.001 0.000 0.331 92 F C 0.575 175.886 175.800 -0.815 0.000 1.085 92 F CA -0.412 57.020 58.000 -0.947 0.000 1.028 92 F CB 2.101 40.243 39.000 -1.429 0.000 1.177 92 F HN 0.603 nan 8.300 nan 0.000 0.487 93 S N -1.074 114.471 115.700 -0.258 0.000 2.672 93 S HA 0.735 5.205 4.470 -0.001 0.000 0.271 93 S C -0.604 174.169 174.600 0.288 0.000 1.171 93 S CA -0.727 57.531 58.200 0.097 0.000 0.817 93 S CB 1.441 64.742 63.200 0.169 0.000 1.150 93 S HN 0.700 nan 8.310 nan 0.000 0.478 94 T N -1.615 113.097 114.554 0.263 0.000 2.888 94 T HA 0.731 5.081 4.350 -0.001 0.000 0.283 94 T C 0.772 175.449 174.700 -0.038 0.000 1.013 94 T CA -0.173 62.028 62.100 0.168 0.000 0.938 94 T CB 0.536 69.496 68.868 0.154 0.000 1.298 94 T HN 0.631 nan 8.240 nan 0.000 0.580 95 V N -0.298 119.548 119.914 -0.113 0.000 2.948 95 V HA 0.326 4.445 4.120 -0.001 0.000 0.234 95 V C 2.782 178.806 176.094 -0.118 0.000 1.205 95 V CA 0.773 62.881 62.300 -0.321 0.000 1.234 95 V CB -0.866 30.821 31.823 -0.227 0.000 1.020 95 V HN 1.010 nan 8.190 nan 0.000 0.491 96 A N 0.619 123.418 122.820 -0.035 0.000 1.930 96 A HA 0.297 4.617 4.320 -0.001 0.000 0.215 96 A C 1.610 179.201 177.584 0.012 0.000 1.176 96 A CA 1.062 53.092 52.037 -0.012 0.000 0.632 96 A CB -0.929 18.068 19.000 -0.006 0.000 0.819 96 A HN 0.562 nan 8.150 nan 0.000 0.445 97 G N 0.324 109.142 108.800 0.029 0.000 2.491 97 G HA2 0.407 4.367 3.960 -0.001 0.000 0.238 97 G HA3 0.407 4.367 3.960 -0.001 0.000 0.238 97 G C -0.259 174.672 174.900 0.052 0.000 1.277 97 G CA -0.242 44.883 45.100 0.043 0.000 0.851 97 G HN 0.440 nan 8.290 nan 0.000 0.573 98 E N 0.283 120.512 120.200 0.049 0.000 2.385 98 E HA 0.266 4.615 4.350 -0.001 0.000 0.254 98 E C 1.719 178.360 176.600 0.068 0.000 1.228 98 E CA -0.580 55.853 56.400 0.055 0.000 0.956 98 E CB 0.665 30.391 29.700 0.043 0.000 1.116 98 E HN 0.507 nan 8.360 nan 0.000 0.507 99 R N 0.045 120.589 120.500 0.073 0.000 2.153 99 R HA -0.194 4.146 4.340 -0.001 0.000 0.252 99 R C 1.392 177.733 176.300 0.068 0.000 1.158 99 R CA 1.900 58.051 56.100 0.085 0.000 0.975 99 R CB -0.415 29.935 30.300 0.084 0.000 0.871 99 R HN 0.623 nan 8.270 nan 0.000 0.450 100 G N -1.500 107.330 108.800 0.050 0.000 3.393 100 G HA2 0.370 4.330 3.960 -0.001 0.000 0.255 100 G HA3 0.370 4.330 3.960 -0.001 0.000 0.255 100 G C -0.094 174.828 174.900 0.036 0.000 1.097 100 G CA 0.184 45.306 45.100 0.036 0.000 0.780 100 G HN 0.408 nan 8.290 nan 0.000 0.540 101 A N 0.445 123.293 122.820 0.046 0.000 2.429 101 A HA 0.646 4.965 4.320 -0.001 0.000 0.242 101 A C 1.025 178.636 177.584 0.046 0.000 1.088 101 A CA 0.364 52.427 52.037 0.044 0.000 0.784 101 A CB 0.154 19.184 19.000 0.049 0.000 1.038 101 A HN 1.080 nan 8.150 nan 0.000 0.501 102 A N 0.610 123.454 122.820 0.040 0.000 2.477 102 A HA 0.328 4.648 4.320 -0.001 0.000 0.246 102 A C 0.682 178.293 177.584 0.045 0.000 1.078 102 A CA 0.045 52.104 52.037 0.036 0.000 0.770 102 A CB -0.032 18.986 19.000 0.030 0.000 1.011 102 A HN 0.796 nan 8.150 nan 0.000 0.494 103 D N 2.041 122.462 120.400 0.035 0.000 2.144 103 D HA -0.027 4.612 4.640 -0.001 0.000 0.200 103 D C 1.291 177.598 176.300 0.012 0.000 0.978 103 D CA 1.899 55.915 54.000 0.026 0.000 0.833 103 D CB -0.060 40.727 40.800 -0.021 0.000 0.961 103 D HN 0.635 nan 8.370 nan 0.000 0.470 104 A N 1.304 124.130 122.820 0.010 0.000 3.168 104 A HA 0.187 4.506 4.320 -0.001 0.000 0.260 104 A C 0.143 177.748 177.584 0.034 0.000 1.598 104 A CA -0.131 51.915 52.037 0.015 0.000 1.285 104 A CB -0.293 18.712 19.000 0.008 0.000 1.149 104 A HN -0.021 nan 8.150 nan 0.000 0.630 105 E N 0.159 120.389 120.200 0.049 0.000 2.222 105 E HA 0.308 4.657 4.350 -0.001 0.000 0.267 105 E C -0.211 176.433 176.600 0.072 0.000 0.963 105 E CA -0.994 55.442 56.400 0.059 0.000 0.837 105 E CB 1.724 31.462 29.700 0.063 0.000 1.183 105 E HN 0.527 nan 8.360 nan 0.000 0.403 106 R N 2.208 122.755 120.500 0.077 0.000 2.343 106 R HA 0.065 4.405 4.340 -0.001 0.000 0.326 106 R C -1.020 175.342 176.300 0.104 0.000 1.055 106 R CA 0.561 56.716 56.100 0.091 0.000 0.961 106 R CB 0.130 30.487 30.300 0.096 0.000 0.978 106 R HN 0.409 nan 8.270 nan 0.000 0.443 107 D N 3.196 123.664 120.400 0.113 0.000 2.742 107 D HA 0.170 4.809 4.640 -0.001 0.000 0.262 107 D C -0.696 175.689 176.300 0.141 0.000 1.240 107 D CA -0.596 53.479 54.000 0.125 0.000 0.752 107 D CB 1.072 41.935 40.800 0.105 0.000 1.290 107 D HN 0.379 nan 8.370 nan 0.000 0.420 108 I N 1.473 122.139 120.570 0.160 0.000 2.696 108 I HA 0.185 4.355 4.170 -0.001 0.000 0.284 108 I C 0.637 176.875 176.117 0.203 0.000 1.129 108 I CA -0.206 61.203 61.300 0.182 0.000 1.410 108 I CB 0.427 38.568 38.000 0.235 0.000 1.399 108 I HN 0.043 nan 8.210 nan 0.000 0.579 109 R N 4.039 124.683 120.500 0.241 0.000 2.338 109 R HA 0.384 4.723 4.340 -0.001 0.000 0.317 109 R C -0.122 176.366 176.300 0.313 0.000 0.968 109 R CA -0.701 55.570 56.100 0.285 0.000 0.849 109 R CB 1.377 31.864 30.300 0.313 0.000 1.128 109 R HN 0.787 nan 8.270 nan 0.000 0.448 110 G N 1.335 110.346 108.800 0.351 0.000 2.442 110 G HA2 0.263 4.223 3.960 -0.001 0.000 0.249 110 G HA3 0.263 4.223 3.960 -0.001 0.000 0.249 110 G C -0.891 174.103 174.900 0.156 0.000 1.263 110 G CA -0.152 45.117 45.100 0.281 0.000 0.846 110 G HN 0.498 nan 8.290 nan 0.000 0.555 111 F N 2.491 122.368 119.950 -0.121 0.000 2.769 111 F HA 0.557 5.083 4.527 -0.001 0.000 0.358 111 F C 0.386 175.915 175.800 -0.450 0.000 1.285 111 F CA -0.869 57.035 58.000 -0.159 0.000 1.199 111 F CB 0.766 39.677 39.000 -0.148 0.000 1.558 111 F HN 0.641 nan 8.300 nan 0.000 0.583 112 A N 5.385 127.772 122.820 -0.721 0.000 2.289 112 A HA 0.777 5.097 4.320 -0.001 0.000 0.298 112 A C -1.113 175.768 177.584 -1.171 0.000 1.208 112 A CA -0.369 51.014 52.037 -1.089 0.000 0.845 112 A CB 0.462 18.389 19.000 -1.789 0.000 1.125 112 A HN 0.634 nan 8.150 nan 0.000 0.517 113 L N 2.058 122.753 121.223 -0.881 0.000 2.365 113 L HA 0.597 4.937 4.340 -0.001 0.000 0.273 113 L C -0.034 176.416 176.870 -0.700 0.000 1.000 113 L CA -0.648 53.619 54.840 -0.955 0.000 0.819 113 L CB 2.199 43.478 42.059 -1.299 0.000 1.284 113 L HN 0.760 nan 8.230 nan 0.000 0.418 114 K N 2.877 122.813 120.400 -0.773 0.000 2.535 114 K HA 0.522 4.841 4.320 -0.001 0.000 0.253 114 K C -1.692 174.300 176.600 -1.013 0.000 0.953 114 K CA -0.425 55.419 56.287 -0.738 0.000 0.863 114 K CB 1.054 33.153 32.500 -0.668 0.000 1.111 114 K HN 0.321 nan 8.250 nan 0.000 0.431 115 F N 3.760 123.365 119.950 -0.576 0.000 2.404 115 F HA 0.292 4.819 4.527 -0.001 0.000 0.354 115 F C -0.334 175.256 175.800 -0.349 0.000 1.122 115 F CA -0.764 56.990 58.000 -0.410 0.000 1.080 115 F CB 0.782 39.648 39.000 -0.223 0.000 1.131 115 F HN 0.411 nan 8.300 nan 0.000 0.471 116 Y N 1.743 122.103 120.300 0.100 0.000 2.632 116 Y HA 0.220 4.770 4.550 -0.001 0.000 0.336 116 Y C 1.013 176.941 175.900 0.047 0.000 1.237 116 Y CA -0.957 57.166 58.100 0.038 0.000 1.595 116 Y CB -0.483 37.979 38.460 0.003 0.000 1.508 116 Y HN 0.548 nan 8.280 nan 0.000 0.480 117 T N -2.437 112.199 114.554 0.136 0.000 2.847 117 T HA 0.192 4.541 4.350 -0.001 0.000 0.279 117 T C 1.016 175.737 174.700 0.036 0.000 0.984 117 T CA -0.698 61.437 62.100 0.058 0.000 0.988 117 T CB 1.059 69.911 68.868 -0.027 0.000 1.040 117 T HN 0.625 nan 8.240 nan 0.000 0.528 118 E N 0.004 120.209 120.200 0.008 0.000 2.409 118 E HA -0.042 4.307 4.350 -0.001 0.000 0.198 118 E C 0.900 177.493 176.600 -0.012 0.000 1.024 118 E CA 0.767 57.171 56.400 0.007 0.000 0.861 118 E CB 0.073 29.778 29.700 0.008 0.000 0.788 118 E HN 0.730 nan 8.360 nan 0.000 0.521 119 E N 0.214 120.387 120.200 -0.045 0.000 2.869 119 E HA 0.287 4.637 4.350 -0.001 0.000 0.207 119 E C -0.031 176.516 176.600 -0.087 0.000 0.986 119 E CA -0.254 56.089 56.400 -0.096 0.000 1.131 119 E CB 1.212 30.813 29.700 -0.165 0.000 1.098 119 E HN 0.206 nan 8.360 nan 0.000 0.459 120 G N 1.363 110.145 108.800 -0.030 0.000 2.497 120 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.686 120 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.686 120 G C -1.098 173.819 174.900 0.029 0.000 1.288 120 G CA -1.123 43.973 45.100 -0.007 0.000 0.899 120 G HN 0.226 nan 8.290 nan 0.000 0.608 121 N N -0.143 118.573 118.700 0.026 0.000 2.430 121 N HA 0.387 5.126 4.740 -0.001 0.000 0.265 121 N C -0.735 174.828 175.510 0.088 0.000 1.100 121 N CA -0.205 52.851 53.050 0.011 0.000 0.961 121 N CB 1.008 39.456 38.487 -0.064 0.000 1.075 121 N HN 0.577 nan 8.380 nan 0.000 0.478 122 W N 4.153 125.399 121.300 -0.089 0.000 2.314 122 W HA 0.299 4.958 4.660 -0.001 0.000 0.310 122 W C -1.160 175.348 176.519 -0.019 0.000 1.075 122 W CA -0.980 56.333 57.345 -0.054 0.000 1.253 122 W CB 0.381 29.785 29.460 -0.094 0.000 1.238 122 W HN 0.392 nan 8.180 nan 0.000 0.440 123 D N 6.445 126.700 120.400 -0.242 0.000 2.274 123 D HA 0.169 4.808 4.640 -0.001 0.000 0.239 123 D C -0.170 175.779 176.300 -0.586 0.000 1.104 123 D CA -0.119 53.667 54.000 -0.356 0.000 0.840 123 D CB 1.524 42.268 40.800 -0.094 0.000 1.100 123 D HN 0.270 nan 8.370 nan 0.000 0.477 124 M N 4.022 123.187 119.600 -0.724 0.000 2.268 124 M HA 0.175 4.654 4.480 -0.001 0.000 0.340 124 M C -1.461 174.593 176.300 -0.409 0.000 1.099 124 M CA -0.811 54.104 55.300 -0.641 0.000 1.053 124 M CB 0.522 32.620 32.600 -0.837 0.000 1.284 124 M HN -0.035 nan 8.290 nan 0.000 0.410 125 V N 4.814 124.571 119.914 -0.262 0.000 2.267 125 V HA 0.515 4.635 4.120 -0.001 0.000 0.254 125 V C 0.974 176.994 176.094 -0.123 0.000 1.144 125 V CA -0.395 61.744 62.300 -0.269 0.000 0.992 125 V CB -0.489 31.165 31.823 -0.281 0.000 1.199 125 V HN 0.833 nan 8.190 nan 0.000 0.493 126 G N 3.110 111.851 108.800 -0.098 0.000 2.938 126 G HA2 0.606 4.565 3.960 -0.001 0.000 0.258 126 G HA3 0.606 4.565 3.960 -0.001 0.000 0.258 126 G C -0.720 174.219 174.900 0.065 0.000 1.356 126 G CA -0.627 44.490 45.100 0.028 0.000 1.052 126 G HN 0.479 nan 8.290 nan 0.000 0.550 127 N N -0.859 117.914 118.700 0.122 0.000 2.761 127 N HA 0.216 4.955 4.740 -0.001 0.000 0.283 127 N C 0.167 175.798 175.510 0.202 0.000 1.377 127 N CA -0.693 52.472 53.050 0.192 0.000 0.791 127 N CB 1.443 40.047 38.487 0.195 0.000 1.540 127 N HN 0.533 nan 8.380 nan 0.000 0.539 128 N N -1.006 117.836 118.700 0.237 0.000 2.313 128 N HA -0.008 4.732 4.740 -0.001 0.000 0.207 128 N C -0.480 175.231 175.510 0.335 0.000 1.141 128 N CA 0.045 53.251 53.050 0.260 0.000 0.830 128 N CB 0.086 38.720 38.487 0.245 0.000 1.008 128 N HN 0.388 nan 8.380 nan 0.000 0.481 129 T N 0.050 114.716 114.554 0.185 0.000 2.912 129 T HA 0.370 4.720 4.350 -0.001 0.000 0.299 129 T C -2.406 172.006 174.700 -0.479 0.000 1.052 129 T CA -1.717 60.279 62.100 -0.173 0.000 0.996 129 T CB 2.306 71.105 68.868 -0.115 0.000 1.070 129 T HN -0.170 nan 8.240 nan 0.000 0.465 130 P HA 0.108 nan 4.420 nan 0.000 0.236 130 P C 0.598 177.655 177.300 -0.406 0.000 1.177 130 P CA 0.450 63.079 63.100 -0.785 0.000 0.773 130 P CB 0.021 31.225 31.700 -0.826 0.000 0.878 131 V N -4.809 114.882 119.914 -0.371 0.000 3.119 131 V HA 0.783 4.902 4.120 -0.001 0.000 0.309 131 V C -0.851 175.183 176.094 -0.101 0.000 1.304 131 V CA -1.079 61.057 62.300 -0.272 0.000 1.057 131 V CB 1.872 33.427 31.823 -0.446 0.000 1.150 131 V HN -0.085 nan 8.190 nan 0.000 0.474 132 F N -1.846 117.942 119.950 -0.270 0.000 2.745 132 F HA 0.633 5.159 4.527 -0.001 0.000 0.316 132 F C 0.237 175.936 175.800 -0.169 0.000 1.155 132 F CA -1.024 56.837 58.000 -0.231 0.000 0.937 132 F CB 1.394 40.365 39.000 -0.049 0.000 1.361 132 F HN 0.532 nan 8.300 nan 0.000 0.472 133 Y N 1.309 121.272 120.300 -0.561 0.000 2.314 133 Y HA 0.149 4.699 4.550 -0.000 0.000 0.293 133 Y C 0.475 176.387 175.900 0.020 0.000 1.129 133 Y CA 0.722 58.669 58.100 -0.255 0.000 1.201 133 Y CB -0.312 38.001 38.460 -0.244 0.000 0.999 133 Y HN 0.055 nan 8.280 nan 0.000 0.541 134 L N -0.876 120.570 121.223 0.372 0.000 2.313 134 L HA 0.503 4.843 4.340 -0.001 0.000 0.268 134 L C 0.872 177.873 176.870 0.219 0.000 1.010 134 L CA -0.822 54.208 54.840 0.317 0.000 0.814 134 L CB 1.823 44.130 42.059 0.415 0.000 1.304 134 L HN -0.224 nan 8.230 nan 0.000 0.441 135 R N -0.906 119.623 120.500 0.049 0.000 2.287 135 R HA 0.154 4.494 4.340 -0.001 0.000 0.197 135 R C -0.319 175.927 176.300 -0.089 0.000 0.900 135 R CA 0.142 56.182 56.100 -0.101 0.000 1.052 135 R CB 0.652 30.687 30.300 -0.441 0.000 1.117 135 R HN 0.594 nan 8.270 nan 0.000 0.568 136 D N -0.038 120.346 120.400 -0.027 0.000 2.502 136 D HA 0.151 4.791 4.640 -0.001 0.000 0.249 136 D C -1.939 174.452 176.300 0.153 0.000 1.092 136 D CA -2.153 51.887 54.000 0.068 0.000 0.839 136 D CB 2.288 43.158 40.800 0.117 0.000 1.264 136 D HN -0.115 nan 8.370 nan 0.000 0.511 137 P HA -0.096 nan 4.420 nan 0.000 0.221 137 P C 1.774 179.186 177.300 0.186 0.000 1.145 137 P CA 0.440 63.636 63.100 0.161 0.000 0.795 137 P CB 0.593 32.343 31.700 0.083 0.000 0.775 138 L N -0.617 120.697 121.223 0.153 0.000 2.191 138 L HA -0.099 4.240 4.340 -0.001 0.000 0.212 138 L C 2.302 179.259 176.870 0.146 0.000 1.103 138 L CA 1.229 56.148 54.840 0.132 0.000 0.769 138 L CB -0.544 41.579 42.059 0.107 0.000 0.908 138 L HN -0.090 nan 8.230 nan 0.000 0.438 139 K N -0.810 119.705 120.400 0.193 0.000 2.487 139 K HA -0.046 4.273 4.320 -0.001 0.000 0.192 139 K C 1.716 178.440 176.600 0.207 0.000 1.027 139 K CA 0.472 56.888 56.287 0.214 0.000 1.054 139 K CB -0.179 32.475 32.500 0.257 0.000 0.824 139 K HN 0.163 nan 8.250 nan 0.000 0.510 140 F N 2.588 122.597 119.950 0.099 0.000 2.102 140 F HA -0.104 4.422 4.527 -0.001 0.000 0.298 140 F C -0.919 174.842 175.800 -0.065 0.000 1.105 140 F CA 1.156 59.204 58.000 0.080 0.000 1.239 140 F CB -0.789 38.270 39.000 0.098 0.000 0.991 140 F HN 0.042 nan 8.300 nan 0.000 0.474 141 P HA -0.156 nan 4.420 nan 0.000 0.215 141 P C 1.174 178.053 177.300 -0.701 0.000 1.153 141 P CA 1.943 64.849 63.100 -0.324 0.000 0.853 141 P CB -0.082 31.473 31.700 -0.242 0.000 0.788 142 D N -0.668 119.431 120.400 -0.502 0.000 2.117 142 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 142 D C 1.923 177.682 176.300 -0.901 0.000 0.987 142 D CA 1.010 54.661 54.000 -0.583 0.000 0.829 142 D CB -0.556 40.099 40.800 -0.241 0.000 0.961 142 D HN 0.087 nan 8.370 nan 0.000 0.460 143 L N 1.837 122.606 121.223 -0.756 0.000 2.046 143 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 143 L C 1.768 178.233 176.870 -0.675 0.000 1.077 143 L CA 1.635 55.984 54.840 -0.818 0.000 0.747 143 L CB -0.809 40.964 42.059 -0.477 0.000 0.896 143 L HN -0.040 nan 8.230 nan 0.000 0.432 144 N N -0.813 117.532 118.700 -0.592 0.000 2.120 144 N HA -0.261 4.478 4.740 -0.001 0.000 0.188 144 N C 1.903 177.305 175.510 -0.180 0.000 1.024 144 N CA 1.917 54.749 53.050 -0.363 0.000 0.852 144 N CB -0.267 38.054 38.487 -0.277 0.000 1.003 144 N HN 0.685 nan 8.380 nan 0.000 0.424 145 H N -0.260 118.605 119.070 -0.341 0.000 2.421 145 H HA -0.077 4.479 4.556 -0.001 0.000 0.298 145 H C 1.893 177.050 175.328 -0.285 0.000 1.087 145 H CA 1.412 57.295 56.048 -0.275 0.000 1.330 145 H CB 0.207 29.808 29.762 -0.269 0.000 1.388 145 H HN 0.406 nan 8.280 nan 0.000 0.526 146 I N -2.676 117.701 120.570 -0.321 0.000 3.462 146 I HA 0.021 4.190 4.170 -0.001 0.000 0.290 146 I C 1.871 177.836 176.117 -0.254 0.000 1.236 146 I CA 0.433 61.545 61.300 -0.313 0.000 1.418 146 I CB 0.002 37.669 38.000 -0.555 0.000 1.102 146 I HN -0.081 nan 8.210 nan 0.000 0.441 147 V N 0.419 120.165 119.914 -0.279 0.000 3.235 147 V HA 0.125 4.245 4.120 -0.001 0.000 0.259 147 V C 1.563 177.597 176.094 -0.100 0.000 1.133 147 V CA 1.088 63.276 62.300 -0.187 0.000 1.128 147 V CB -0.393 31.300 31.823 -0.216 0.000 0.757 147 V HN 0.375 nan 8.190 nan 0.000 0.469 148 K N -0.447 119.898 120.400 -0.090 0.000 2.443 148 K HA 0.473 4.793 4.320 -0.001 0.000 0.284 148 K C -0.042 176.539 176.600 -0.031 0.000 0.992 148 K CA -0.883 55.377 56.287 -0.046 0.000 1.292 148 K CB 0.469 32.949 32.500 -0.034 0.000 1.705 148 K HN 0.083 nan 8.250 nan 0.000 0.778 149 R N 1.692 122.177 120.500 -0.025 0.000 2.410 149 R HA 0.077 4.417 4.340 -0.001 0.000 0.288 149 R C -0.384 175.908 176.300 -0.014 0.000 1.051 149 R CA -0.478 55.611 56.100 -0.019 0.000 1.021 149 R CB 0.509 30.799 30.300 -0.016 0.000 1.032 149 R HN 0.519 nan 8.270 nan 0.000 0.481 150 D N 4.204 124.607 120.400 0.004 0.000 2.458 150 D HA -0.025 4.615 4.640 -0.001 0.000 0.243 150 D C -1.229 175.080 176.300 0.016 0.000 1.146 150 D CA -1.307 52.720 54.000 0.046 0.000 0.877 150 D CB 1.148 41.943 40.800 -0.008 0.000 1.176 150 D HN 0.307 nan 8.370 nan 0.000 0.461 151 P HA -0.143 nan 4.420 nan 0.000 0.221 151 P C 1.185 178.480 177.300 -0.009 0.000 1.145 151 P CA 1.016 64.100 63.100 -0.026 0.000 0.795 151 P CB 0.449 32.120 31.700 -0.048 0.000 0.775 152 R N -0.073 120.435 120.500 0.013 0.000 2.119 152 R HA 0.014 4.353 4.340 -0.001 0.000 0.202 152 R C 2.385 178.683 176.300 -0.003 0.000 1.114 152 R CA 1.426 57.529 56.100 0.006 0.000 1.089 152 R CB -0.521 29.789 30.300 0.017 0.000 1.000 152 R HN 0.119 nan 8.270 nan 0.000 0.487 153 T N -1.608 112.941 114.554 -0.008 0.000 3.055 153 T HA -0.037 4.312 4.350 -0.001 0.000 0.265 153 T C 0.734 175.424 174.700 -0.015 0.000 1.111 153 T CA 0.949 63.038 62.100 -0.018 0.000 1.118 153 T CB -0.225 68.622 68.868 -0.036 0.000 0.909 153 T HN 0.450 nan 8.240 nan 0.000 0.501 154 N N 0.134 118.826 118.700 -0.013 0.000 2.741 154 N HA -0.149 4.591 4.740 -0.001 0.000 0.250 154 N C -0.670 174.833 175.510 -0.012 0.000 1.115 154 N CA 0.889 53.932 53.050 -0.012 0.000 0.724 154 N CB -1.763 36.718 38.487 -0.009 0.000 1.090 154 N HN 0.711 nan 8.380 nan 0.000 0.558 155 M N -0.374 119.216 119.600 -0.018 0.000 2.619 155 M HA 0.381 4.860 4.480 -0.001 0.000 0.297 155 M C 0.137 176.423 176.300 -0.023 0.000 1.229 155 M CA -0.870 54.420 55.300 -0.016 0.000 0.860 155 M CB 1.896 34.485 32.600 -0.018 0.000 1.741 155 M HN -0.104 nan 8.290 nan 0.000 0.462 156 R N 1.968 122.461 120.500 -0.012 0.000 2.458 156 R HA 0.079 4.419 4.340 -0.001 0.000 0.303 156 R C -0.300 175.985 176.300 -0.026 0.000 1.013 156 R CA 0.147 56.240 56.100 -0.011 0.000 1.026 156 R CB -0.116 30.188 30.300 0.007 0.000 0.948 156 R HN 0.366 nan 8.270 nan 0.000 0.417 157 N N 4.277 122.945 118.700 -0.053 0.000 2.462 157 N HA 0.036 4.776 4.740 -0.001 0.000 0.242 157 N C 0.522 176.012 175.510 -0.033 0.000 1.010 157 N CA -0.229 52.742 53.050 -0.131 0.000 0.939 157 N CB 0.848 39.103 38.487 -0.386 0.000 1.127 157 N HN 0.457 nan 8.380 nan 0.000 0.509 158 M N 2.098 121.723 119.600 0.042 0.000 2.229 158 M HA -0.045 4.435 4.480 -0.001 0.000 0.264 158 M C 1.853 178.316 176.300 0.271 0.000 1.063 158 M CA 0.735 56.160 55.300 0.209 0.000 1.114 158 M CB -1.399 31.358 32.600 0.262 0.000 1.387 158 M HN 0.631 nan 8.290 nan 0.000 0.420 159 A N -0.132 122.758 122.820 0.116 0.000 1.883 159 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 159 A C 1.975 179.720 177.584 0.268 0.000 1.186 159 A CA 1.458 53.585 52.037 0.150 0.000 0.624 159 A CB -0.958 18.054 19.000 0.021 0.000 0.822 159 A HN 0.378 nan 8.150 nan 0.000 0.444 160 Y N 0.182 120.521 120.300 0.066 0.000 2.145 160 Y HA -0.181 4.368 4.550 -0.001 0.000 0.286 160 Y C 2.380 178.259 175.900 -0.035 0.000 1.145 160 Y CA 1.182 59.288 58.100 0.011 0.000 1.148 160 Y CB -0.950 37.484 38.460 -0.043 0.000 0.981 160 Y HN 0.460 nan 8.280 nan 0.000 0.507 161 K N -0.540 119.916 120.400 0.093 0.000 2.020 161 K HA -0.240 4.080 4.320 -0.001 0.000 0.212 161 K C 1.958 178.453 176.600 -0.175 0.000 1.050 161 K CA 2.304 58.493 56.287 -0.163 0.000 0.929 161 K CB -0.612 31.763 32.500 -0.208 0.000 0.714 161 K HN 0.283 nan 8.250 nan 0.000 0.443 162 W N 1.256 122.668 121.300 0.186 0.000 2.519 162 W HA -0.073 4.586 4.660 -0.001 0.000 0.266 162 W C 1.933 178.520 176.519 0.113 0.000 1.253 162 W CA 0.775 58.239 57.345 0.198 0.000 1.274 162 W CB -0.241 29.314 29.460 0.159 0.000 1.114 162 W HN 0.372 nan 8.180 nan 0.000 0.596 163 D N -0.159 120.399 120.400 0.263 0.000 2.097 163 D HA -0.251 4.388 4.640 -0.001 0.000 0.195 163 D C 1.868 178.250 176.300 0.137 0.000 0.989 163 D CA 1.280 55.380 54.000 0.166 0.000 0.827 163 D CB -0.470 40.453 40.800 0.204 0.000 0.966 163 D HN 0.059 nan 8.370 nan 0.000 0.456 164 F N 0.189 120.096 119.950 -0.072 0.000 2.026 164 F HA -0.154 4.372 4.527 -0.001 0.000 0.296 164 F C 1.988 177.682 175.800 -0.177 0.000 1.133 164 F CA 1.485 59.369 58.000 -0.194 0.000 1.188 164 F CB -0.756 37.947 39.000 -0.494 0.000 0.968 164 F HN -0.085 nan 8.300 nan 0.000 0.476 165 F N 0.954 120.849 119.950 -0.092 0.000 2.250 165 F HA -0.167 4.360 4.527 -0.000 0.000 0.301 165 F C 2.930 178.620 175.800 -0.183 0.000 1.077 165 F CA 1.266 59.126 58.000 -0.235 0.000 1.348 165 F CB -1.649 37.189 39.000 -0.269 0.000 1.040 165 F HN 0.156 nan 8.300 nan 0.000 0.509 166 S N -1.438 114.286 115.700 0.039 0.000 2.447 166 S HA -0.172 4.297 4.470 -0.001 0.000 0.233 166 S C 1.583 176.036 174.600 -0.245 0.000 1.006 166 S CA 1.172 59.304 58.200 -0.113 0.000 0.957 166 S CB -0.686 62.422 63.200 -0.153 0.000 0.773 166 S HN 0.444 nan 8.310 nan 0.000 0.507 167 H N 0.586 119.591 119.070 -0.108 0.000 2.551 167 H HA 0.437 4.993 4.556 -0.001 0.000 0.271 167 H C -0.235 174.960 175.328 -0.223 0.000 0.984 167 H CA 0.108 56.064 56.048 -0.153 0.000 1.164 167 H CB 0.194 29.860 29.762 -0.159 0.000 1.437 167 H HN 0.396 nan 8.280 nan 0.000 0.550 168 L N 1.455 122.583 121.223 -0.158 0.000 2.457 168 L HA 0.251 4.590 4.340 -0.001 0.000 0.252 168 L C -1.918 174.809 176.870 -0.239 0.000 1.132 168 L CA -1.574 53.142 54.840 -0.208 0.000 0.938 168 L CB 2.265 44.173 42.059 -0.252 0.000 1.246 168 L HN -0.178 nan 8.230 nan 0.000 0.476 169 P HA -0.205 nan 4.420 nan 0.000 0.218 169 P C 1.387 178.392 177.300 -0.491 0.000 1.148 169 P CA 1.010 63.769 63.100 -0.569 0.000 0.822 169 P CB 0.212 31.276 31.700 -1.060 0.000 0.784 170 E N 0.398 120.339 120.200 -0.432 0.000 2.267 170 E HA -0.169 4.181 4.350 -0.001 0.000 0.197 170 E C 1.529 178.134 176.600 0.008 0.000 0.998 170 E CA 1.828 58.209 56.400 -0.032 0.000 0.830 170 E CB -1.159 28.620 29.700 0.132 0.000 0.751 170 E HN 0.354 nan 8.360 nan 0.000 0.491 171 S N 0.428 116.116 115.700 -0.021 0.000 2.522 171 S HA -0.015 4.454 4.470 -0.001 0.000 0.227 171 S C 1.910 176.492 174.600 -0.030 0.000 0.986 171 S CA 0.066 58.275 58.200 0.015 0.000 0.929 171 S CB -0.179 63.060 63.200 0.066 0.000 0.769 171 S HN 0.053 nan 8.310 nan 0.000 0.529 172 L N 2.225 123.437 121.223 -0.019 0.000 2.043 172 L HA -0.145 4.195 4.340 -0.001 0.000 0.212 172 L C 2.475 179.456 176.870 0.185 0.000 1.075 172 L CA 2.000 56.878 54.840 0.064 0.000 0.752 172 L CB -1.921 40.172 42.059 0.057 0.000 0.891 172 L HN 0.590 nan 8.230 nan 0.000 0.432 173 H N -1.367 117.723 119.070 0.034 0.000 2.293 173 H HA -0.244 4.312 4.556 -0.001 0.000 0.300 173 H C 2.323 177.638 175.328 -0.023 0.000 1.082 173 H CA 1.533 57.602 56.048 0.036 0.000 1.308 173 H CB 0.484 30.248 29.762 0.003 0.000 1.375 173 H HN 0.240 nan 8.280 nan 0.000 0.495 174 Q N 0.799 120.560 119.800 -0.064 0.000 2.119 174 Q HA -0.072 4.268 4.340 -0.001 0.000 0.201 174 Q C 2.385 178.282 176.000 -0.172 0.000 0.972 174 Q CA 1.139 56.753 55.803 -0.314 0.000 0.847 174 Q CB -0.271 27.978 28.738 -0.815 0.000 0.903 174 Q HN 0.556 nan 8.270 nan 0.000 0.433 175 L N -0.413 120.782 121.223 -0.047 0.000 2.046 175 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 175 L C 2.204 179.219 176.870 0.242 0.000 1.077 175 L CA 1.713 56.609 54.840 0.094 0.000 0.747 175 L CB -0.700 41.424 42.059 0.108 0.000 0.896 175 L HN 0.259 nan 8.230 nan 0.000 0.432 176 T N 0.006 114.741 114.554 0.301 0.000 2.788 176 T HA -0.137 4.212 4.350 -0.001 0.000 0.268 176 T C 1.891 176.715 174.700 0.207 0.000 1.044 176 T CA 1.264 63.576 62.100 0.354 0.000 1.139 176 T CB -0.162 68.961 68.868 0.425 0.000 0.867 176 T HN 0.209 nan 8.240 nan 0.000 0.454 177 I N 1.138 121.791 120.570 0.138 0.000 2.315 177 I HA -0.148 4.022 4.170 -0.001 0.000 0.248 177 I C 2.272 178.430 176.117 0.069 0.000 1.117 177 I CA 1.057 62.401 61.300 0.073 0.000 1.404 177 I CB -0.337 37.660 38.000 -0.006 0.000 1.071 177 I HN 0.111 nan 8.210 nan 0.000 0.419 178 D N 0.706 121.149 120.400 0.071 0.000 2.104 178 D HA -0.166 4.473 4.640 -0.001 0.000 0.194 178 D C 2.147 178.522 176.300 0.125 0.000 0.994 178 D CA 1.364 55.425 54.000 0.101 0.000 0.830 178 D CB -0.128 40.752 40.800 0.133 0.000 0.959 178 D HN 0.193 nan 8.370 nan 0.000 0.452 179 M N 0.699 120.391 119.600 0.154 0.000 2.492 179 M HA 0.033 4.512 4.480 -0.001 0.000 0.262 179 M C 1.124 177.468 176.300 0.073 0.000 1.090 179 M CA 0.199 55.582 55.300 0.139 0.000 1.110 179 M CB -0.827 31.887 32.600 0.190 0.000 1.407 179 M HN -0.095 nan 8.290 nan 0.000 0.470 180 S N 0.373 116.111 115.700 0.063 0.000 2.626 180 S HA 0.071 4.540 4.470 -0.001 0.000 0.257 180 S C 0.825 175.433 174.600 0.014 0.000 1.288 180 S CA -0.394 57.815 58.200 0.015 0.000 0.980 180 S CB 0.970 64.183 63.200 0.022 0.000 0.975 180 S HN 0.189 nan 8.310 nan 0.000 0.577 181 D N 0.388 120.781 120.400 -0.010 0.000 2.218 181 D HA -0.040 4.600 4.640 -0.001 0.000 0.204 181 D C 1.904 178.218 176.300 0.023 0.000 0.976 181 D CA 1.022 55.019 54.000 -0.004 0.000 0.853 181 D CB -0.244 40.539 40.800 -0.028 0.000 0.939 181 D HN 0.524 nan 8.370 nan 0.000 0.481 182 R N 0.158 120.681 120.500 0.038 0.000 2.316 182 R HA 0.050 4.390 4.340 -0.001 0.000 0.202 182 R C 1.964 178.311 176.300 0.080 0.000 1.029 182 R CA 0.628 56.767 56.100 0.065 0.000 1.018 182 R CB -0.132 30.218 30.300 0.082 0.000 0.888 182 R HN 0.094 nan 8.270 nan 0.000 0.471 183 G N 0.530 109.374 108.800 0.072 0.000 2.848 183 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.208 183 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.208 183 G C 0.349 175.302 174.900 0.089 0.000 1.152 183 G CA 0.088 45.240 45.100 0.086 0.000 0.789 183 G HN 0.106 nan 8.290 nan 0.000 0.531 184 L N 0.738 122.007 121.223 0.075 0.000 2.457 184 L HA 0.489 4.828 4.340 -0.001 0.000 0.259 184 L C -2.653 174.255 176.870 0.062 0.000 1.377 184 L CA -2.500 52.381 54.840 0.069 0.000 0.887 184 L CB 1.864 43.956 42.059 0.055 0.000 1.085 184 L HN -0.229 nan 8.230 nan 0.000 0.509 185 P HA 0.106 nan 4.420 nan 0.000 0.270 185 P C 0.766 178.113 177.300 0.079 0.000 1.223 185 P CA -0.285 62.873 63.100 0.096 0.000 0.785 185 P CB 0.825 32.608 31.700 0.138 0.000 0.923 186 L N 1.251 122.536 121.223 0.103 0.000 2.072 186 L HA 0.016 4.356 4.340 -0.001 0.000 0.205 186 L C 0.629 177.574 176.870 0.126 0.000 1.079 186 L CA 2.122 57.016 54.840 0.090 0.000 0.752 186 L CB -0.504 41.575 42.059 0.032 0.000 0.906 186 L HN 0.617 nan 8.230 nan 0.000 0.436 187 S N -4.869 110.953 115.700 0.204 0.000 2.655 187 S HA 0.220 4.690 4.470 -0.001 0.000 0.266 187 S C 0.287 174.909 174.600 0.037 0.000 1.149 187 S CA -0.368 57.851 58.200 0.032 0.000 0.818 187 S CB -0.299 62.960 63.200 0.098 0.000 1.130 187 S HN 0.023 nan 8.310 nan 0.000 0.476 188 Y N 0.849 121.167 120.300 0.030 0.000 2.497 188 Y HA 0.174 4.723 4.550 -0.001 0.000 0.292 188 Y C 2.456 178.264 175.900 -0.154 0.000 1.137 188 Y CA 0.833 58.860 58.100 -0.122 0.000 1.285 188 Y CB -0.562 37.818 38.460 -0.133 0.000 0.991 188 Y HN 0.542 nan 8.280 nan 0.000 0.556 189 R N -1.108 119.327 120.500 -0.108 0.000 2.275 189 R HA 0.033 4.373 4.340 -0.001 0.000 0.199 189 R C -0.157 175.709 176.300 -0.723 0.000 0.989 189 R CA 0.509 56.355 56.100 -0.423 0.000 1.016 189 R CB -0.102 29.745 30.300 -0.756 0.000 0.918 189 R HN 0.176 nan 8.270 nan 0.000 0.473 190 F N 0.323 120.323 119.950 0.083 0.000 2.928 190 F HA 0.231 4.758 4.527 -0.001 0.000 0.337 190 F C -0.076 175.731 175.800 0.012 0.000 1.259 190 F CA -0.984 57.016 58.000 -0.001 0.000 1.267 190 F CB 0.657 39.641 39.000 -0.026 0.000 0.986 190 F HN -0.292 nan 8.300 nan 0.000 0.507 191 V N -3.602 116.436 119.914 0.206 0.000 3.040 191 V HA 0.614 4.734 4.120 -0.001 0.000 0.312 191 V C -0.466 175.787 176.094 0.265 0.000 1.115 191 V CA -0.850 61.555 62.300 0.175 0.000 0.998 191 V CB 1.947 33.907 31.823 0.228 0.000 1.042 191 V HN 0.086 nan 8.190 nan 0.000 0.433 192 H N 1.027 120.230 119.070 0.222 0.000 2.488 192 H HA 0.770 5.326 4.556 -0.001 0.000 0.347 192 H C 0.395 175.477 175.328 -0.411 0.000 1.174 192 H CA 0.386 56.449 56.048 0.024 0.000 1.307 192 H CB 2.009 31.716 29.762 -0.090 0.000 1.517 192 H HN 1.170 nan 8.280 nan 0.000 0.554 193 G N 0.652 108.966 108.800 -0.809 0.000 2.453 193 G HA2 0.511 4.471 3.960 -0.001 0.000 0.323 193 G HA3 0.511 4.471 3.960 -0.001 0.000 0.323 193 G C -1.691 172.726 174.900 -0.804 0.000 1.198 193 G CA -0.346 43.812 45.100 -1.570 0.000 0.959 193 G HN 0.423 nan 8.290 nan 0.000 0.482 194 Y N -0.888 119.278 120.300 -0.223 0.000 2.571 194 Y HA 0.495 5.045 4.550 -0.001 0.000 0.341 194 Y C 1.079 177.014 175.900 0.058 0.000 1.076 194 Y CA -0.408 57.672 58.100 -0.034 0.000 1.029 194 Y CB 2.325 40.708 38.460 -0.127 0.000 1.308 194 Y HN 0.624 nan 8.280 nan 0.000 0.461 195 G N -0.234 108.764 108.800 0.329 0.000 2.623 195 G HA2 0.176 4.136 3.960 -0.001 0.000 0.214 195 G HA3 0.176 4.136 3.960 -0.001 0.000 0.214 195 G C 0.797 175.857 174.900 0.266 0.000 1.138 195 G CA 0.817 46.163 45.100 0.410 0.000 0.794 195 G HN 0.710 nan 8.290 nan 0.000 0.535 196 S N -0.727 115.018 115.700 0.075 0.000 1.694 196 S HA -0.255 4.214 4.470 -0.001 0.000 0.236 196 S C 0.939 175.438 174.600 -0.168 0.000 0.821 196 S CA 1.443 59.564 58.200 -0.133 0.000 1.530 196 S CB -1.294 61.759 63.200 -0.245 0.000 1.703 196 S HN 0.670 nan 8.310 nan 0.000 0.517 197 H N 1.993 121.055 119.070 -0.014 0.000 2.730 197 H HA 0.318 4.874 4.556 -0.001 0.000 0.376 197 H C 0.424 175.638 175.328 -0.191 0.000 1.299 197 H CA 0.913 56.870 56.048 -0.152 0.000 1.447 197 H CB 0.044 29.602 29.762 -0.340 0.000 1.493 197 H HN 0.376 nan 8.280 nan 0.000 0.619 198 T N 2.532 117.043 114.554 -0.072 0.000 2.771 198 T HA 0.260 4.610 4.350 -0.001 0.000 0.291 198 T C -0.146 174.526 174.700 -0.046 0.000 0.954 198 T CA -0.158 61.886 62.100 -0.093 0.000 1.045 198 T CB 0.023 68.938 68.868 0.079 0.000 0.917 198 T HN 0.292 nan 8.240 nan 0.000 0.484 199 Y N 0.986 121.324 120.300 0.063 0.000 2.719 199 Y HA 0.633 5.183 4.550 -0.001 0.000 0.335 199 Y C 0.941 176.997 175.900 0.260 0.000 1.198 199 Y CA -0.788 57.424 58.100 0.187 0.000 1.274 199 Y CB 1.256 39.838 38.460 0.204 0.000 1.500 199 Y HN 0.656 nan 8.280 nan 0.000 0.616 200 S N -0.202 115.756 115.700 0.429 0.000 2.549 200 S HA 0.700 5.169 4.470 -0.001 0.000 0.280 200 S C -1.691 173.093 174.600 0.306 0.000 1.109 200 S CA -0.752 57.631 58.200 0.305 0.000 0.905 200 S CB 1.606 64.951 63.200 0.242 0.000 1.081 200 S HN 0.272 nan 8.310 nan 0.000 0.477 201 F N 1.142 121.172 119.950 0.133 0.000 2.538 201 F HA 0.685 5.211 4.527 -0.001 0.000 0.325 201 F C -0.228 175.662 175.800 0.151 0.000 1.066 201 F CA -2.014 56.065 58.000 0.133 0.000 0.946 201 F CB 1.783 40.866 39.000 0.138 0.000 1.199 201 F HN 0.502 nan 8.300 nan 0.000 0.473 202 I N 3.443 124.178 120.570 0.276 0.000 2.534 202 I HA 0.188 4.358 4.170 -0.001 0.000 0.288 202 I C -0.541 175.657 176.117 0.136 0.000 1.077 202 I CA -0.806 60.603 61.300 0.181 0.000 1.051 202 I CB 1.627 39.679 38.000 0.087 0.000 1.234 202 I HN 0.530 nan 8.210 nan 0.000 0.425 203 N N 6.245 125.056 118.700 0.185 0.000 2.491 203 N HA 0.251 4.991 4.740 -0.001 0.000 0.279 203 N C 0.708 176.254 175.510 0.060 0.000 1.236 203 N CA -0.718 52.396 53.050 0.107 0.000 0.982 203 N CB 0.705 39.279 38.487 0.144 0.000 1.194 203 N HN 0.579 nan 8.380 nan 0.000 0.582 204 K N -1.448 118.968 120.400 0.026 0.000 2.281 204 K HA -0.104 4.215 4.320 -0.001 0.000 0.203 204 K C -0.388 176.215 176.600 0.005 0.000 1.046 204 K CA 1.381 57.670 56.287 0.004 0.000 0.938 204 K CB -0.182 32.310 32.500 -0.013 0.000 0.737 204 K HN 0.430 nan 8.250 nan 0.000 0.458 205 D N 1.256 121.671 120.400 0.025 0.000 2.336 205 D HA 0.029 4.668 4.640 -0.001 0.000 0.228 205 D C -0.382 175.928 176.300 0.016 0.000 1.120 205 D CA 0.008 54.019 54.000 0.018 0.000 0.839 205 D CB 0.021 40.837 40.800 0.027 0.000 0.932 205 D HN 0.175 nan 8.370 nan 0.000 0.509 206 N N 1.648 120.361 118.700 0.021 0.000 2.754 206 N HA -0.180 4.560 4.740 -0.001 0.000 0.248 206 N C -0.805 174.696 175.510 -0.014 0.000 1.093 206 N CA 0.704 53.759 53.050 0.008 0.000 0.699 206 N CB -1.095 37.387 38.487 -0.008 0.000 1.016 206 N HN 0.493 nan 8.380 nan 0.000 0.552 207 E N 0.258 120.467 120.200 0.014 0.000 2.151 207 E HA 0.296 4.645 4.350 -0.001 0.000 0.275 207 E C 0.352 176.863 176.600 -0.149 0.000 0.936 207 E CA -0.701 55.642 56.400 -0.095 0.000 0.777 207 E CB 1.866 31.537 29.700 -0.049 0.000 1.108 207 E HN 0.167 nan 8.360 nan 0.000 0.401 208 R N 3.100 123.381 120.500 -0.366 0.000 2.349 208 R HA 0.405 4.744 4.340 -0.001 0.000 0.299 208 R C -1.359 174.512 176.300 -0.714 0.000 1.027 208 R CA -0.225 55.642 56.100 -0.388 0.000 0.958 208 R CB 0.512 30.544 30.300 -0.447 0.000 1.047 208 R HN 0.348 nan 8.270 nan 0.000 0.468 209 F N 3.338 123.153 119.950 -0.224 0.000 2.547 209 F HA 0.372 4.898 4.527 -0.001 0.000 0.316 209 F C -0.743 174.946 175.800 -0.184 0.000 1.121 209 F CA -0.636 57.250 58.000 -0.189 0.000 0.911 209 F CB 1.112 40.116 39.000 0.007 0.000 1.179 209 F HN 0.473 nan 8.300 nan 0.000 0.443 210 W N 3.160 124.597 121.300 0.229 0.000 2.218 210 W HA 0.586 5.246 4.660 -0.001 0.000 0.326 210 W C -0.312 176.321 176.519 0.190 0.000 1.276 210 W CA -0.685 56.812 57.345 0.253 0.000 1.210 210 W CB 1.020 30.691 29.460 0.351 0.000 1.143 210 W HN 0.321 nan 8.180 nan 0.000 0.563 211 V N 3.862 123.903 119.914 0.212 0.000 3.049 211 V HA 0.518 4.638 4.120 -0.001 0.000 0.309 211 V C -1.083 174.687 176.094 -0.540 0.000 1.148 211 V CA -1.187 60.947 62.300 -0.277 0.000 0.990 211 V CB 2.217 33.502 31.823 -0.897 0.000 1.039 211 V HN 0.377 nan 8.190 nan 0.000 0.430 212 K N 4.335 124.369 120.400 -0.609 0.000 2.345 212 K HA 0.535 4.855 4.320 -0.001 0.000 0.255 212 K C -1.567 174.795 176.600 -0.397 0.000 0.934 212 K CA -0.220 55.736 56.287 -0.551 0.000 0.801 212 K CB 1.895 34.086 32.500 -0.515 0.000 1.137 212 K HN 0.528 nan 8.250 nan 0.000 0.424 213 F N 2.510 122.428 119.950 -0.054 0.000 2.410 213 F HA 0.317 4.843 4.527 -0.001 0.000 0.349 213 F C 0.855 176.548 175.800 -0.180 0.000 1.117 213 F CA -0.313 57.665 58.000 -0.037 0.000 1.104 213 F CB 0.908 39.987 39.000 0.132 0.000 1.122 213 F HN 0.249 nan 8.300 nan 0.000 0.483 214 H N 4.035 123.085 119.070 -0.034 0.000 2.609 214 H HA 0.317 4.873 4.556 -0.001 0.000 0.344 214 H C -1.374 173.754 175.328 -0.332 0.000 1.040 214 H CA -0.614 55.359 56.048 -0.125 0.000 1.216 214 H CB 1.721 31.433 29.762 -0.083 0.000 1.529 214 H HN 0.419 nan 8.280 nan 0.000 0.519 215 F N 3.033 122.948 119.950 -0.057 0.000 2.311 215 F HA 0.280 4.807 4.527 -0.001 0.000 0.371 215 F C 0.724 176.617 175.800 0.156 0.000 1.083 215 F CA -0.819 57.251 58.000 0.117 0.000 1.113 215 F CB 0.661 39.723 39.000 0.104 0.000 1.349 215 F HN 0.209 nan 8.300 nan 0.000 0.470 216 R N 1.555 122.219 120.500 0.273 0.000 2.296 216 R HA 0.094 4.434 4.340 -0.001 0.000 0.323 216 R C -0.204 176.327 176.300 0.385 0.000 1.067 216 R CA -0.278 55.955 56.100 0.222 0.000 0.946 216 R CB 0.920 31.250 30.300 0.051 0.000 0.991 216 R HN 0.651 nan 8.270 nan 0.000 0.448 217 C N 4.572 124.213 119.300 0.569 0.000 2.648 217 C HA 0.022 4.482 4.460 -0.001 0.000 0.406 217 C C 1.441 176.335 174.990 -0.161 0.000 1.406 217 C CA -0.269 58.697 59.018 -0.086 0.000 1.610 217 C CB -0.263 27.421 27.740 -0.094 0.000 2.451 217 C HN 0.622 nan 8.230 nan 0.000 0.608 218 Q N 3.258 122.831 119.800 -0.379 0.000 2.365 218 Q HA 0.022 4.362 4.340 -0.001 0.000 0.203 218 Q C 1.208 177.090 176.000 -0.197 0.000 0.929 218 Q CA 0.778 56.446 55.803 -0.225 0.000 0.948 218 Q CB 0.201 28.801 28.738 -0.229 0.000 1.043 218 Q HN 0.823 nan 8.270 nan 0.000 0.505 219 Q N -0.672 118.996 119.800 -0.221 0.000 2.317 219 Q HA 0.330 4.669 4.340 -0.001 0.000 0.220 219 Q C 0.341 176.401 176.000 0.101 0.000 0.873 219 Q CA 0.578 56.350 55.803 -0.052 0.000 0.936 219 Q CB 1.320 29.986 28.738 -0.120 0.000 1.105 219 Q HN 0.352 nan 8.270 nan 0.000 0.520 220 G N 0.462 109.282 108.800 0.035 0.000 2.699 220 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.686 220 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.686 220 G C -1.028 173.907 174.900 0.058 0.000 1.301 220 G CA -0.957 44.169 45.100 0.044 0.000 0.816 220 G HN 0.030 nan 8.290 nan 0.000 0.595 221 I N 1.201 121.765 120.570 -0.010 0.000 2.325 221 I HA 0.389 4.558 4.170 -0.001 0.000 0.291 221 I C 0.637 176.740 176.117 -0.022 0.000 1.019 221 I CA 0.021 61.308 61.300 -0.022 0.000 1.302 221 I CB 1.017 38.986 38.000 -0.053 0.000 1.401 221 I HN 0.440 nan 8.210 nan 0.000 0.485 222 K N 6.014 126.412 120.400 -0.003 0.000 2.397 222 K HA 0.512 4.832 4.320 -0.001 0.000 0.253 222 K C -0.782 175.795 176.600 -0.038 0.000 0.932 222 K CA -0.841 55.367 56.287 -0.133 0.000 0.795 222 K CB 2.449 34.657 32.500 -0.488 0.000 1.159 222 K HN 0.450 nan 8.250 nan 0.000 0.424 223 N N 1.998 120.669 118.700 -0.049 0.000 2.469 223 N HA 0.527 5.267 4.740 -0.001 0.000 0.286 223 N C -1.057 174.437 175.510 -0.028 0.000 1.275 223 N CA -0.671 52.371 53.050 -0.013 0.000 0.790 223 N CB 1.573 40.058 38.487 -0.003 0.000 1.446 223 N HN 0.284 nan 8.380 nan 0.000 0.501 224 L N 1.488 122.707 121.223 -0.007 0.000 2.341 224 L HA 0.454 4.794 4.340 -0.001 0.000 0.278 224 L C -0.065 176.801 176.870 -0.007 0.000 1.005 224 L CA -0.742 54.092 54.840 -0.011 0.000 0.818 224 L CB 1.478 43.537 42.059 0.000 0.000 1.259 224 L HN 0.275 nan 8.230 nan 0.000 0.418 225 M N 1.357 120.948 119.600 -0.014 0.000 2.241 225 M HA 0.094 4.574 4.480 -0.001 0.000 0.335 225 M C 1.050 177.349 176.300 -0.001 0.000 1.122 225 M CA -0.045 55.248 55.300 -0.012 0.000 1.164 225 M CB 0.590 33.178 32.600 -0.020 0.000 1.459 225 M HN 0.521 nan 8.290 nan 0.000 0.461 226 D N 1.321 121.724 120.400 0.004 0.000 2.126 226 D HA -0.216 4.423 4.640 -0.001 0.000 0.190 226 D C 1.088 177.395 176.300 0.011 0.000 1.001 226 D CA 1.789 55.797 54.000 0.013 0.000 0.841 226 D CB -0.020 40.791 40.800 0.018 0.000 0.949 226 D HN 0.537 nan 8.370 nan 0.000 0.446 227 D N 0.571 120.974 120.400 0.005 0.000 2.178 227 D HA -0.095 4.544 4.640 -0.001 0.000 0.202 227 D C 1.916 178.217 176.300 0.002 0.000 0.974 227 D CA 0.642 54.645 54.000 0.004 0.000 0.841 227 D CB -0.226 40.574 40.800 0.001 0.000 0.953 227 D HN 0.455 nan 8.370 nan 0.000 0.478 228 E N 0.458 120.657 120.200 -0.002 0.000 2.285 228 E HA 0.014 4.364 4.350 -0.001 0.000 0.194 228 E C 1.956 178.557 176.600 0.001 0.000 0.997 228 E CA 0.598 56.996 56.400 -0.004 0.000 0.845 228 E CB 0.122 29.815 29.700 -0.011 0.000 0.782 228 E HN 0.171 nan 8.360 nan 0.000 0.491 229 A N 1.423 124.246 122.820 0.005 0.000 1.898 229 A HA -0.151 4.168 4.320 -0.001 0.000 0.214 229 A C 1.970 179.561 177.584 0.013 0.000 1.183 229 A CA 0.890 52.934 52.037 0.011 0.000 0.622 229 A CB -0.177 18.833 19.000 0.017 0.000 0.824 229 A HN 0.093 nan 8.150 nan 0.000 0.444 230 E N -0.159 120.049 120.200 0.013 0.000 2.051 230 E HA -0.161 4.188 4.350 -0.001 0.000 0.192 230 E C 2.325 178.931 176.600 0.011 0.000 0.991 230 E CA 1.001 57.410 56.400 0.014 0.000 0.799 230 E CB -0.239 29.470 29.700 0.014 0.000 0.748 230 E HN 0.585 nan 8.360 nan 0.000 0.449 231 A N 1.036 123.861 122.820 0.008 0.000 1.883 231 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 231 A C 2.132 179.720 177.584 0.007 0.000 1.186 231 A CA 1.281 53.321 52.037 0.006 0.000 0.624 231 A CB -0.610 18.392 19.000 0.003 0.000 0.822 231 A HN 0.274 nan 8.150 nan 0.000 0.444 232 L N -0.126 121.101 121.223 0.007 0.000 2.046 232 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 232 L C 2.404 179.279 176.870 0.009 0.000 1.077 232 L CA 1.888 56.733 54.840 0.008 0.000 0.747 232 L CB -0.565 41.498 42.059 0.007 0.000 0.896 232 L HN 0.152 nan 8.230 nan 0.000 0.432 233 V N 0.170 120.091 119.914 0.011 0.000 2.295 233 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 233 V C 2.631 178.733 176.094 0.012 0.000 1.049 233 V CA 1.819 64.126 62.300 0.013 0.000 1.024 233 V CB -1.660 30.173 31.823 0.017 0.000 0.648 233 V HN 0.637 nan 8.190 nan 0.000 0.447 234 G N -0.651 108.155 108.800 0.011 0.000 2.450 234 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.220 234 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.220 234 G C 1.677 176.582 174.900 0.009 0.000 1.130 234 G CA 0.882 45.988 45.100 0.010 0.000 0.760 234 G HN 0.495 nan 8.290 nan 0.000 0.557 235 K N -0.979 119.427 120.400 0.009 0.000 2.308 235 K HA 0.112 4.432 4.320 -0.001 0.000 0.197 235 K C -0.403 176.202 176.600 0.008 0.000 1.049 235 K CA 0.325 56.617 56.287 0.008 0.000 0.991 235 K CB 0.542 33.047 32.500 0.008 0.000 0.836 235 K HN 0.175 nan 8.250 nan 0.000 0.500 236 D N -0.678 119.727 120.400 0.009 0.000 2.688 236 D HA 0.170 4.809 4.640 -0.001 0.000 0.210 236 D C -0.314 175.990 176.300 0.008 0.000 1.333 236 D CA -0.258 53.747 54.000 0.008 0.000 0.920 236 D CB 1.138 41.943 40.800 0.010 0.000 1.554 236 D HN -0.290 nan 8.370 nan 0.000 0.579 237 R N 1.164 121.669 120.500 0.008 0.000 2.275 237 R HA 0.165 4.505 4.340 -0.001 0.000 0.199 237 R C 0.537 176.844 176.300 0.011 0.000 0.989 237 R CA 0.696 56.803 56.100 0.011 0.000 1.016 237 R CB 0.378 30.686 30.300 0.013 0.000 0.918 237 R HN 0.326 nan 8.270 nan 0.000 0.473 238 E N -0.546 119.657 120.200 0.005 0.000 2.499 238 E HA 0.085 4.434 4.350 -0.001 0.000 0.207 238 E C 0.725 177.330 176.600 0.008 0.000 1.034 238 E CA 0.169 56.572 56.400 0.005 0.000 1.098 238 E CB 0.566 30.259 29.700 -0.012 0.000 1.148 238 E HN 0.207 nan 8.360 nan 0.000 0.447 239 S N 0.041 115.741 115.700 0.001 0.000 2.374 239 S HA -0.199 4.271 4.470 -0.001 0.000 0.227 239 S C 2.058 176.648 174.600 -0.017 0.000 1.037 239 S CA 1.551 59.750 58.200 -0.001 0.000 1.024 239 S CB -0.230 62.968 63.200 -0.005 0.000 0.861 239 S HN 0.123 nan 8.310 nan 0.000 0.456 240 S N 1.612 117.259 115.700 -0.088 0.000 2.368 240 S HA -0.092 4.377 4.470 -0.001 0.000 0.224 240 S C 2.076 176.678 174.600 0.004 0.000 1.029 240 S CA 1.285 59.356 58.200 -0.214 0.000 0.988 240 S CB -0.511 62.258 63.200 -0.718 0.000 0.838 240 S HN 0.669 nan 8.310 nan 0.000 0.462 241 Q N 2.116 121.972 119.800 0.094 0.000 2.050 241 Q HA -0.037 4.303 4.340 -0.001 0.000 0.202 241 Q C 2.090 178.199 176.000 0.181 0.000 0.980 241 Q CA 1.685 57.598 55.803 0.184 0.000 0.840 241 Q CB -0.370 28.436 28.738 0.113 0.000 0.898 241 Q HN 0.461 nan 8.270 nan 0.000 0.424 242 R N -0.166 120.401 120.500 0.112 0.000 2.091 242 R HA -0.189 4.151 4.340 -0.001 0.000 0.238 242 R C 1.836 178.244 176.300 0.180 0.000 1.136 242 R CA 1.978 58.155 56.100 0.129 0.000 0.959 242 R CB -0.517 29.827 30.300 0.074 0.000 0.856 242 R HN 0.526 nan 8.270 nan 0.000 0.437 243 D N -0.060 120.424 120.400 0.140 0.000 2.084 243 D HA -0.191 4.449 4.640 -0.001 0.000 0.194 243 D C 2.050 178.458 176.300 0.179 0.000 0.990 243 D CA 1.168 55.254 54.000 0.144 0.000 0.826 243 D CB -0.054 40.812 40.800 0.110 0.000 0.971 243 D HN 0.216 nan 8.370 nan 0.000 0.453 244 L N -0.480 120.874 121.223 0.219 0.000 1.994 244 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 244 L C 2.229 179.256 176.870 0.262 0.000 1.071 244 L CA 1.373 56.369 54.840 0.261 0.000 0.745 244 L CB -0.526 41.750 42.059 0.362 0.000 0.892 244 L HN 0.206 nan 8.230 nan 0.000 0.431 245 F N 1.127 121.173 119.950 0.160 0.000 2.069 245 F HA -0.285 4.241 4.527 -0.001 0.000 0.298 245 F C 2.456 178.338 175.800 0.135 0.000 1.113 245 F CA 2.053 60.143 58.000 0.149 0.000 1.214 245 F CB -0.104 38.976 39.000 0.133 0.000 0.978 245 F HN 0.141 nan 8.300 nan 0.000 0.474 246 E N 0.026 120.411 120.200 0.307 0.000 2.106 246 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 246 E C 2.340 178.992 176.600 0.087 0.000 0.984 246 E CA 0.860 57.372 56.400 0.188 0.000 0.806 246 E CB -0.394 29.429 29.700 0.206 0.000 0.750 246 E HN 0.520 nan 8.360 nan 0.000 0.458 247 A N 1.358 124.240 122.820 0.104 0.000 1.877 247 A HA -0.171 4.149 4.320 -0.001 0.000 0.216 247 A C 2.173 179.811 177.584 0.090 0.000 1.186 247 A CA 1.090 53.179 52.037 0.086 0.000 0.620 247 A CB -0.553 18.506 19.000 0.098 0.000 0.822 247 A HN 0.134 nan 8.150 nan 0.000 0.443 248 I N -0.740 119.896 120.570 0.111 0.000 2.315 248 I HA -0.218 3.951 4.170 -0.001 0.000 0.248 248 I C 2.538 178.732 176.117 0.128 0.000 1.117 248 I CA 1.609 63.032 61.300 0.204 0.000 1.404 248 I CB -0.323 37.743 38.000 0.110 0.000 1.071 248 I HN 0.541 nan 8.210 nan 0.000 0.419 249 E N 1.820 121.977 120.200 -0.071 0.000 2.110 249 E HA -0.243 4.106 4.350 -0.001 0.000 0.193 249 E C 2.231 178.830 176.600 -0.002 0.000 0.988 249 E CA 1.061 57.403 56.400 -0.096 0.000 0.804 249 E CB 0.064 29.649 29.700 -0.192 0.000 0.745 249 E HN 0.497 nan 8.360 nan 0.000 0.458 250 R N -1.054 119.448 120.500 0.002 0.000 2.297 250 R HA 0.120 4.459 4.340 -0.001 0.000 0.197 250 R C 1.235 177.489 176.300 -0.076 0.000 0.943 250 R CA 0.865 56.957 56.100 -0.013 0.000 1.038 250 R CB 0.302 30.602 30.300 0.000 0.000 0.957 250 R HN 0.192 nan 8.270 nan 0.000 0.484 251 G N 0.985 109.706 108.800 -0.132 0.000 2.179 251 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.220 251 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.220 251 G C -0.622 173.894 174.900 -0.640 0.000 0.990 251 G CA 0.072 44.880 45.100 -0.487 0.000 0.646 251 G HN 0.384 nan 8.290 nan 0.000 0.517 252 D N 1.177 121.420 120.400 -0.261 0.000 2.713 252 D HA 0.383 5.022 4.640 -0.001 0.000 0.229 252 D C 0.194 176.501 176.300 0.011 0.000 1.136 252 D CA -0.290 53.629 54.000 -0.135 0.000 1.010 252 D CB -0.376 40.406 40.800 -0.030 0.000 1.084 252 D HN 0.319 nan 8.370 nan 0.000 0.495 253 Y N 2.020 122.335 120.300 0.026 0.000 2.677 253 Y HA 0.147 4.697 4.550 -0.001 0.000 0.335 253 Y C -1.517 174.392 175.900 0.016 0.000 1.162 253 Y CA -3.053 55.078 58.100 0.051 0.000 1.483 253 Y CB -0.758 37.751 38.460 0.083 0.000 1.209 253 Y HN 0.198 nan 8.280 nan 0.000 0.528 254 P HA 0.200 nan 4.420 nan 0.000 0.271 254 P C -0.288 176.969 177.300 -0.072 0.000 1.218 254 P CA -0.188 62.870 63.100 -0.070 0.000 0.780 254 P CB 1.293 32.994 31.700 0.002 0.000 0.901 255 R N 1.820 122.072 120.500 -0.413 0.000 2.795 255 R HA 0.568 4.908 4.340 -0.001 0.000 0.275 255 R C -1.190 174.774 176.300 -0.560 0.000 0.981 255 R CA -0.557 55.388 56.100 -0.258 0.000 0.917 255 R CB 1.774 31.993 30.300 -0.134 0.000 1.202 255 R HN 0.590 nan 8.270 nan 0.000 0.469 256 W N 2.384 123.526 121.300 -0.263 0.000 3.097 256 W HA 0.364 5.024 4.660 -0.001 0.000 0.335 256 W C -0.646 175.938 176.519 0.108 0.000 1.114 256 W CA -0.671 56.602 57.345 -0.120 0.000 1.231 256 W CB 2.140 31.473 29.460 -0.212 0.000 1.388 256 W HN 0.275 nan 8.180 nan 0.000 0.485 257 K N 2.802 123.423 120.400 0.369 0.000 2.183 257 K HA 0.365 4.684 4.320 -0.001 0.000 0.274 257 K C -0.503 176.273 176.600 0.293 0.000 1.009 257 K CA -1.024 55.467 56.287 0.340 0.000 0.888 257 K CB 2.073 34.684 32.500 0.184 0.000 1.078 257 K HN 0.196 nan 8.250 nan 0.000 0.459 258 L N 3.675 125.078 121.223 0.301 0.000 2.278 258 L HA 0.175 4.515 4.340 -0.001 0.000 0.287 258 L C -0.817 176.067 176.870 0.025 0.000 1.072 258 L CA 0.513 55.356 54.840 0.005 0.000 0.819 258 L CB 0.646 42.808 42.059 0.172 0.000 1.176 258 L HN 0.548 nan 8.230 nan 0.000 0.435 259 Q N 5.759 125.530 119.800 -0.049 0.000 2.394 259 Q HA 0.720 5.060 4.340 -0.001 0.000 0.273 259 Q C -1.056 174.945 176.000 0.002 0.000 1.089 259 Q CA -0.757 55.026 55.803 -0.033 0.000 0.812 259 Q CB 2.938 31.629 28.738 -0.078 0.000 1.353 259 Q HN 0.778 nan 8.270 nan 0.000 0.438 260 I N -2.339 118.214 120.570 -0.027 0.000 2.934 260 I HA 0.536 4.706 4.170 -0.001 0.000 0.306 260 I C -1.117 174.956 176.117 -0.073 0.000 1.110 260 I CA -1.139 60.146 61.300 -0.025 0.000 1.019 260 I CB 2.266 40.226 38.000 -0.067 0.000 1.227 260 I HN 0.448 nan 8.210 nan 0.000 0.434 261 Q N 3.621 123.396 119.800 -0.043 0.000 2.331 261 Q HA 0.599 4.938 4.340 -0.001 0.000 0.267 261 Q C -1.300 174.756 176.000 0.094 0.000 1.006 261 Q CA -0.808 55.039 55.803 0.073 0.000 0.818 261 Q CB 2.966 31.843 28.738 0.232 0.000 1.276 261 Q HN 0.482 nan 8.270 nan 0.000 0.450 262 I N 3.264 123.872 120.570 0.063 0.000 2.406 262 I HA 0.399 4.569 4.170 -0.001 0.000 0.290 262 I C -0.590 175.566 176.117 0.065 0.000 0.999 262 I CA -0.455 60.816 61.300 -0.049 0.000 1.124 262 I CB 1.764 39.440 38.000 -0.539 0.000 1.289 262 I HN 0.684 nan 8.210 nan 0.000 0.441 263 M N 9.099 128.732 119.600 0.056 0.000 2.053 263 M HA 0.462 4.942 4.480 -0.001 0.000 0.297 263 M C -2.716 173.664 176.300 0.133 0.000 0.921 263 M CA -1.481 53.775 55.300 -0.074 0.000 0.918 263 M CB 2.159 34.320 32.600 -0.732 0.000 1.499 263 M HN 0.100 nan 8.290 nan 0.000 0.422 264 P HA -0.038 nan 4.420 nan 0.000 0.264 264 P C 0.240 177.475 177.300 -0.108 0.000 1.183 264 P CA 0.478 63.577 63.100 -0.002 0.000 0.763 264 P CB 0.504 32.243 31.700 0.065 0.000 0.807 265 E N 3.285 123.265 120.200 -0.366 0.000 2.136 265 E HA -0.380 3.969 4.350 -0.001 0.000 0.208 265 E C 1.468 178.095 176.600 0.045 0.000 1.035 265 E CA 1.764 57.983 56.400 -0.302 0.000 0.838 265 E CB -0.037 29.397 29.700 -0.443 0.000 0.748 265 E HN 0.102 nan 8.360 nan 0.000 0.459 266 K N 0.877 121.259 120.400 -0.029 0.000 2.147 266 K HA -0.130 4.189 4.320 -0.001 0.000 0.205 266 K C 1.711 178.330 176.600 0.031 0.000 1.049 266 K CA 1.557 57.852 56.287 0.013 0.000 0.936 266 K CB -0.162 32.326 32.500 -0.020 0.000 0.722 266 K HN 0.321 nan 8.250 nan 0.000 0.446 267 E N -0.512 119.707 120.200 0.033 0.000 2.338 267 E HA -0.106 4.244 4.350 -0.001 0.000 0.197 267 E C 1.640 178.210 176.600 -0.050 0.000 1.007 267 E CA 0.655 57.059 56.400 0.007 0.000 0.849 267 E CB -0.058 29.673 29.700 0.052 0.000 0.774 267 E HN 0.309 nan 8.360 nan 0.000 0.506 268 A N 1.458 124.288 122.820 0.017 0.000 2.019 268 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 268 A C 2.278 179.793 177.584 -0.115 0.000 1.164 268 A CA 1.699 53.685 52.037 -0.086 0.000 0.644 268 A CB -0.313 18.766 19.000 0.131 0.000 0.805 268 A HN 0.306 nan 8.150 nan 0.000 0.449 269 S N -1.442 114.235 115.700 -0.037 0.000 2.524 269 S HA -0.021 4.449 4.470 -0.001 0.000 0.216 269 S C 1.445 175.995 174.600 -0.084 0.000 0.987 269 S CA 1.014 59.186 58.200 -0.047 0.000 0.909 269 S CB -0.548 62.651 63.200 -0.001 0.000 0.781 269 S HN 0.704 nan 8.310 nan 0.000 0.521 270 T N -1.231 113.262 114.554 -0.102 0.000 3.069 270 T HA 0.352 4.701 4.350 -0.001 0.000 0.252 270 T C 0.327 174.923 174.700 -0.174 0.000 1.053 270 T CA -0.269 61.768 62.100 -0.106 0.000 0.964 270 T CB -0.051 68.775 68.868 -0.069 0.000 1.005 270 T HN 0.146 nan 8.240 nan 0.000 0.532 271 V N 4.588 124.330 119.914 -0.287 0.000 2.546 271 V HA 0.328 4.448 4.120 -0.001 0.000 0.284 271 V C -1.283 174.502 176.094 -0.515 0.000 1.050 271 V CA -2.030 59.962 62.300 -0.514 0.000 0.981 271 V CB 1.635 32.969 31.823 -0.815 0.000 0.990 271 V HN 0.253 nan 8.190 nan 0.000 0.474 272 P HA 0.021 nan 4.420 nan 0.000 0.259 272 P C -0.886 176.388 177.300 -0.044 0.000 1.307 272 P CA 0.669 63.673 63.100 -0.161 0.000 0.768 272 P CB -0.385 31.307 31.700 -0.013 0.000 1.199 273 Y N -3.480 116.789 120.300 -0.052 0.000 2.689 273 Y HA 0.587 5.137 4.550 -0.001 0.000 0.333 273 Y C -0.435 175.413 175.900 -0.086 0.000 1.190 273 Y CA -2.103 55.969 58.100 -0.046 0.000 1.063 273 Y CB -0.158 38.292 38.460 -0.015 0.000 1.294 273 Y HN -0.373 nan 8.280 nan 0.000 0.466 274 N N 3.288 122.090 118.700 0.170 0.000 2.415 274 N HA 0.276 5.015 4.740 -0.001 0.000 0.246 274 N C -1.904 173.650 175.510 0.073 0.000 1.078 274 N CA -2.643 50.434 53.050 0.044 0.000 0.942 274 N CB 0.929 39.463 38.487 0.078 0.000 1.140 274 N HN 0.551 nan 8.380 nan 0.000 0.501 275 P HA 0.006 nan 4.420 nan 0.000 0.242 275 P C -0.134 177.016 177.300 -0.249 0.000 1.197 275 P CA 0.624 63.647 63.100 -0.128 0.000 0.765 275 P CB -0.031 31.288 31.700 -0.635 0.000 0.936 276 F N -0.406 119.579 119.950 0.058 0.000 2.684 276 F HA 0.291 4.818 4.527 -0.001 0.000 0.298 276 F C 0.696 176.499 175.800 0.004 0.000 1.120 276 F CA -1.240 56.735 58.000 -0.042 0.000 1.332 276 F CB -0.291 38.613 39.000 -0.160 0.000 0.986 276 F HN -0.168 nan 8.300 nan 0.000 0.524 277 D N 1.546 122.035 120.400 0.148 0.000 2.347 277 D HA 0.106 4.745 4.640 -0.001 0.000 0.235 277 D C 1.281 177.628 176.300 0.080 0.000 1.149 277 D CA 0.065 54.134 54.000 0.115 0.000 0.850 277 D CB 1.153 42.018 40.800 0.108 0.000 1.061 277 D HN 0.213 nan 8.370 nan 0.000 0.487 278 L N 3.241 124.513 121.223 0.082 0.000 2.265 278 L HA -0.159 4.181 4.340 -0.001 0.000 0.215 278 L C 1.852 178.733 176.870 0.018 0.000 1.117 278 L CA 1.397 56.259 54.840 0.037 0.000 0.782 278 L CB -0.085 42.026 42.059 0.085 0.000 0.914 278 L HN 0.492 nan 8.230 nan 0.000 0.441 279 T N -4.092 110.498 114.554 0.059 0.000 3.144 279 T HA 0.105 4.455 4.350 -0.001 0.000 0.249 279 T C 0.587 175.367 174.700 0.134 0.000 1.089 279 T CA -0.174 61.967 62.100 0.069 0.000 0.989 279 T CB 0.126 69.061 68.868 0.112 0.000 0.992 279 T HN 0.154 nan 8.240 nan 0.000 0.540 280 K N 0.772 121.224 120.400 0.087 0.000 2.444 280 K HA 0.690 5.010 4.320 -0.001 0.000 0.252 280 K C -0.859 175.767 176.600 0.043 0.000 0.993 280 K CA -1.110 55.247 56.287 0.117 0.000 0.847 280 K CB 2.884 35.431 32.500 0.079 0.000 1.340 280 K HN 0.102 nan 8.250 nan 0.000 0.446 281 V N -2.353 117.606 119.914 0.075 0.000 3.103 281 V HA 0.615 4.734 4.120 -0.001 0.000 0.318 281 V C -1.301 174.889 176.094 0.160 0.000 1.114 281 V CA -0.948 61.385 62.300 0.055 0.000 1.020 281 V CB 1.302 33.183 31.823 0.098 0.000 1.085 281 V HN 0.622 nan 8.190 nan 0.000 0.446 282 W N 0.947 122.261 121.300 0.023 0.000 2.390 282 W HA 0.620 5.280 4.660 -0.001 0.000 0.312 282 W C -2.476 174.134 176.519 0.151 0.000 1.123 282 W CA -2.631 54.732 57.345 0.030 0.000 1.202 282 W CB 0.168 29.689 29.460 0.101 0.000 1.251 282 W HN 0.419 nan 8.180 nan 0.000 0.511 283 P HA -0.016 nan 4.420 nan 0.000 0.264 283 P C 0.826 178.349 177.300 0.371 0.000 1.193 283 P CA 0.532 63.781 63.100 0.249 0.000 0.763 283 P CB 0.395 32.177 31.700 0.136 0.000 0.810 284 H N 2.083 121.232 119.070 0.131 0.000 2.545 284 H HA -0.098 4.457 4.556 -0.001 0.000 0.282 284 H C 1.751 177.113 175.328 0.057 0.000 1.020 284 H CA 0.511 56.620 56.048 0.101 0.000 1.243 284 H CB 0.256 30.049 29.762 0.053 0.000 1.377 284 H HN 0.482 nan 8.280 nan 0.000 0.581 285 A N 1.789 124.704 122.820 0.159 0.000 1.845 285 A HA -0.215 4.105 4.320 -0.001 0.000 0.215 285 A C 1.863 179.433 177.584 -0.024 0.000 1.195 285 A CA 2.002 54.074 52.037 0.059 0.000 0.616 285 A CB -0.421 18.605 19.000 0.044 0.000 0.832 285 A HN 0.520 nan 8.150 nan 0.000 0.443 286 D N -3.088 117.258 120.400 -0.089 0.000 2.333 286 D HA 0.068 4.707 4.640 -0.001 0.000 0.208 286 D C -0.489 175.382 176.300 -0.715 0.000 0.984 286 D CA 0.491 54.260 54.000 -0.385 0.000 0.873 286 D CB -0.110 40.407 40.800 -0.472 0.000 0.935 286 D HN 0.471 nan 8.370 nan 0.000 0.521 287 Y N 0.714 121.054 120.300 0.068 0.000 2.609 287 Y HA 0.338 4.888 4.550 -0.001 0.000 0.350 287 Y C -2.505 173.400 175.900 0.008 0.000 1.050 287 Y CA -2.989 55.147 58.100 0.061 0.000 1.290 287 Y CB 1.145 39.691 38.460 0.143 0.000 1.094 287 Y HN -0.119 nan 8.280 nan 0.000 0.583 288 P HA 0.151 nan 4.420 nan 0.000 0.274 288 P C -0.326 176.907 177.300 -0.112 0.000 1.237 288 P CA -0.207 62.865 63.100 -0.047 0.000 0.793 288 P CB 1.800 33.488 31.700 -0.019 0.000 0.977 289 L N 2.209 123.301 121.223 -0.219 0.000 2.326 289 L HA 0.387 4.726 4.340 -0.001 0.000 0.278 289 L C 0.840 177.630 176.870 -0.134 0.000 1.092 289 L CA -0.306 54.391 54.840 -0.237 0.000 0.810 289 L CB 0.208 42.062 42.059 -0.340 0.000 1.153 289 L HN 0.295 nan 8.230 nan 0.000 0.439 290 M N 0.828 120.362 119.600 -0.111 0.000 2.326 290 M HA 0.484 4.964 4.480 -0.001 0.000 0.306 290 M C -1.304 174.920 176.300 -0.126 0.000 1.054 290 M CA -0.937 54.303 55.300 -0.100 0.000 0.922 290 M CB 2.078 34.656 32.600 -0.038 0.000 1.632 290 M HN 0.293 nan 8.290 nan 0.000 0.436 291 D N 2.152 122.409 120.400 -0.239 0.000 2.443 291 D HA 0.167 4.807 4.640 -0.001 0.000 0.239 291 D C 0.643 176.849 176.300 -0.156 0.000 1.136 291 D CA 0.115 53.947 54.000 -0.279 0.000 0.879 291 D CB 2.240 42.681 40.800 -0.599 0.000 1.195 291 D HN 0.503 nan 8.370 nan 0.000 0.443 292 V N 0.587 120.540 119.914 0.066 0.000 3.058 292 V HA 0.425 4.545 4.120 -0.001 0.000 0.233 292 V C 0.943 177.227 176.094 0.317 0.000 1.255 292 V CA 0.842 63.240 62.300 0.163 0.000 1.267 292 V CB 0.534 32.397 31.823 0.067 0.000 1.049 292 V HN 0.773 nan 8.190 nan 0.000 0.486 293 G N -0.474 108.528 108.800 0.336 0.000 2.392 293 G HA2 0.459 4.419 3.960 -0.001 0.000 0.260 293 G HA3 0.459 4.419 3.960 -0.001 0.000 0.260 293 G C -1.920 173.162 174.900 0.304 0.000 1.226 293 G CA 0.171 45.393 45.100 0.203 0.000 0.913 293 G HN 0.576 nan 8.290 nan 0.000 0.483 294 Y N -1.507 118.740 120.300 -0.089 0.000 2.677 294 Y HA 0.800 5.350 4.550 -0.001 0.000 0.334 294 Y C -1.364 174.709 175.900 0.288 0.000 1.196 294 Y CA -2.239 55.988 58.100 0.212 0.000 1.059 294 Y CB 1.039 39.572 38.460 0.122 0.000 1.315 294 Y HN 1.327 nan 8.280 nan 0.000 0.455 295 F N -0.026 120.274 119.950 0.583 0.000 2.563 295 F HA 0.824 5.350 4.527 -0.001 0.000 0.316 295 F C -1.084 175.054 175.800 0.563 0.000 1.076 295 F CA -1.096 57.214 58.000 0.517 0.000 0.921 295 F CB 2.428 41.841 39.000 0.689 0.000 1.209 295 F HN 0.772 nan 8.300 nan 0.000 0.462 296 E N 3.517 124.072 120.200 0.592 0.000 2.246 296 E HA 0.407 4.757 4.350 -0.001 0.000 0.266 296 E C -2.000 174.839 176.600 0.399 0.000 0.880 296 E CA -0.947 55.721 56.400 0.446 0.000 0.762 296 E CB 1.854 31.786 29.700 0.386 0.000 1.180 296 E HN 0.731 nan 8.360 nan 0.000 0.416 297 L N 4.919 126.372 121.223 0.383 0.000 2.283 297 L HA 0.229 4.568 4.340 -0.001 0.000 0.287 297 L C 0.496 177.356 176.870 -0.017 0.000 1.073 297 L CA 0.052 55.028 54.840 0.226 0.000 0.822 297 L CB 0.273 42.512 42.059 0.299 0.000 1.186 297 L HN 0.602 nan 8.230 nan 0.000 0.436 298 N N 1.824 120.382 118.700 -0.235 0.000 2.143 298 N HA 0.141 4.880 4.740 -0.001 0.000 0.222 298 N C 0.138 175.375 175.510 -0.455 0.000 1.264 298 N CA -0.336 52.197 53.050 -0.861 0.000 0.897 298 N CB 0.563 38.471 38.487 -0.965 0.000 1.092 298 N HN 0.417 nan 8.380 nan 0.000 0.516 299 R N 0.285 120.722 120.500 -0.104 0.000 2.515 299 R HA 0.333 4.672 4.340 -0.001 0.000 0.291 299 R C -1.511 174.881 176.300 0.154 0.000 1.046 299 R CA -0.490 55.628 56.100 0.030 0.000 0.914 299 R CB 0.921 31.263 30.300 0.071 0.000 1.191 299 R HN 0.142 nan 8.270 nan 0.000 0.435 300 N N 4.311 123.070 118.700 0.098 0.000 2.520 300 N HA 0.193 4.933 4.740 -0.001 0.000 0.273 300 N C -2.399 173.298 175.510 0.311 0.000 1.155 300 N CA -1.233 51.914 53.050 0.162 0.000 0.967 300 N CB 0.918 39.388 38.487 -0.028 0.000 1.092 300 N HN 0.283 nan 8.380 nan 0.000 0.457 301 P HA -0.004 nan 4.420 nan 0.000 0.267 301 P C -0.131 177.361 177.300 0.321 0.000 1.200 301 P CA -0.053 63.321 63.100 0.456 0.000 0.772 301 P CB 0.663 32.586 31.700 0.372 0.000 0.855 302 D N 0.194 120.733 120.400 0.230 0.000 2.149 302 D HA -0.077 4.562 4.640 -0.001 0.000 0.201 302 D C 0.458 176.866 176.300 0.180 0.000 0.972 302 D CA 1.615 55.715 54.000 0.167 0.000 0.835 302 D CB 0.014 40.865 40.800 0.085 0.000 0.966 302 D HN 0.361 nan 8.370 nan 0.000 0.476 303 N N -0.616 118.192 118.700 0.180 0.000 2.480 303 N HA -0.041 4.698 4.740 -0.001 0.000 0.289 303 N C 0.068 175.702 175.510 0.208 0.000 1.073 303 N CA -0.327 52.836 53.050 0.189 0.000 0.885 303 N CB 1.264 39.840 38.487 0.149 0.000 1.421 303 N HN -0.137 nan 8.380 nan 0.000 0.503 304 Y N 4.544 124.931 120.300 0.146 0.000 2.081 304 Y HA -0.266 4.284 4.550 -0.001 0.000 0.280 304 Y C 1.747 177.721 175.900 0.123 0.000 1.163 304 Y CA 1.993 60.173 58.100 0.134 0.000 1.135 304 Y CB -0.190 38.342 38.460 0.120 0.000 0.970 304 Y HN 0.667 nan 8.280 nan 0.000 0.498 305 F N 0.064 120.100 119.950 0.142 0.000 2.102 305 F HA -0.195 4.332 4.527 -0.001 0.000 0.298 305 F C 2.472 178.232 175.800 -0.066 0.000 1.105 305 F CA 2.078 60.102 58.000 0.040 0.000 1.239 305 F CB -0.749 38.307 39.000 0.094 0.000 0.991 305 F HN -0.023 nan 8.300 nan 0.000 0.474 306 S N 0.039 115.785 115.700 0.078 0.000 2.368 306 S HA -0.177 4.292 4.470 -0.001 0.000 0.225 306 S C 1.529 176.007 174.600 -0.204 0.000 1.030 306 S CA 1.579 59.746 58.200 -0.053 0.000 0.999 306 S CB -0.332 62.908 63.200 0.066 0.000 0.844 306 S HN 0.501 nan 8.310 nan 0.000 0.459 307 D N 0.039 120.330 120.400 -0.181 0.000 2.323 307 D HA 0.110 4.749 4.640 -0.001 0.000 0.218 307 D C 1.890 177.936 176.300 -0.424 0.000 0.973 307 D CA 0.630 54.465 54.000 -0.275 0.000 0.890 307 D CB 0.057 40.817 40.800 -0.066 0.000 1.011 307 D HN 0.271 nan 8.370 nan 0.000 0.499 308 V N 0.807 120.476 119.914 -0.407 0.000 2.490 308 V HA -0.056 4.063 4.120 -0.001 0.000 0.238 308 V C 2.345 178.164 176.094 -0.458 0.000 1.056 308 V CA 0.798 62.846 62.300 -0.420 0.000 1.075 308 V CB -0.294 31.073 31.823 -0.761 0.000 0.746 308 V HN -0.045 nan 8.190 nan 0.000 0.479 309 E N 0.988 120.815 120.200 -0.620 0.000 2.085 309 E HA -0.244 4.106 4.350 -0.001 0.000 0.194 309 E C 2.128 178.473 176.600 -0.426 0.000 0.994 309 E CA 1.681 57.834 56.400 -0.412 0.000 0.801 309 E CB -0.265 29.238 29.700 -0.328 0.000 0.743 309 E HN 0.625 nan 8.360 nan 0.000 0.453 310 Q N -0.374 119.082 119.800 -0.574 0.000 2.444 310 Q HA 0.227 4.566 4.340 -0.001 0.000 0.206 310 Q C -0.228 175.539 176.000 -0.388 0.000 0.948 310 Q CA 0.174 55.682 55.803 -0.492 0.000 0.946 310 Q CB 0.390 28.804 28.738 -0.541 0.000 1.027 310 Q HN 0.216 nan 8.270 nan 0.000 0.513 311 A N 0.985 123.588 122.820 -0.361 0.000 2.440 311 A HA 0.501 4.821 4.320 -0.001 0.000 0.251 311 A C -0.210 177.152 177.584 -0.370 0.000 1.089 311 A CA 0.031 51.831 52.037 -0.395 0.000 0.779 311 A CB 0.329 19.171 19.000 -0.264 0.000 1.022 311 A HN 0.263 nan 8.150 nan 0.000 0.492 312 A N 2.536 125.011 122.820 -0.575 0.000 2.311 312 A HA 0.721 5.040 4.320 -0.001 0.000 0.306 312 A C -0.892 176.353 177.584 -0.565 0.000 1.189 312 A CA -0.383 51.224 52.037 -0.717 0.000 0.791 312 A CB 0.287 18.570 19.000 -1.195 0.000 1.172 312 A HN 0.634 nan 8.150 nan 0.000 0.481 313 F N 1.221 121.103 119.950 -0.113 0.000 2.492 313 F HA 0.766 5.292 4.527 -0.001 0.000 0.327 313 F C 0.769 176.659 175.800 0.149 0.000 1.079 313 F CA -0.326 57.651 58.000 -0.038 0.000 0.967 313 F CB 2.523 41.445 39.000 -0.130 0.000 1.169 313 F HN 0.479 nan 8.300 nan 0.000 0.472 314 S N 2.430 118.223 115.700 0.154 0.000 2.566 314 S HA 0.410 4.879 4.470 -0.001 0.000 0.273 314 S C -2.439 172.088 174.600 -0.122 0.000 1.157 314 S CA -1.253 56.903 58.200 -0.073 0.000 0.938 314 S CB 1.782 65.053 63.200 0.118 0.000 1.087 314 S HN 0.239 nan 8.310 nan 0.000 0.474 315 P HA 0.050 nan 4.420 nan 0.000 0.222 315 P C 1.158 178.612 177.300 0.256 0.000 1.147 315 P CA 1.054 64.162 63.100 0.013 0.000 0.790 315 P CB 0.104 31.759 31.700 -0.075 0.000 0.780 316 A N -0.699 122.197 122.820 0.127 0.000 2.067 316 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 316 A C 1.045 178.824 177.584 0.324 0.000 1.158 316 A CA 0.815 53.008 52.037 0.259 0.000 0.661 316 A CB -1.378 17.689 19.000 0.112 0.000 0.801 316 A HN 0.272 nan 8.150 nan 0.000 0.452 317 N N 0.851 119.687 118.700 0.226 0.000 2.605 317 N HA 0.419 5.159 4.740 -0.001 0.000 0.258 317 N C -0.349 175.322 175.510 0.268 0.000 1.156 317 N CA -0.179 52.987 53.050 0.193 0.000 1.008 317 N CB 0.129 38.681 38.487 0.108 0.000 1.354 317 N HN 0.641 nan 8.380 nan 0.000 0.509 318 I N -1.634 119.078 120.570 0.237 0.000 3.023 318 I HA 0.733 4.903 4.170 -0.001 0.000 0.312 318 I C -0.047 176.086 176.117 0.027 0.000 1.056 318 I CA -1.292 60.116 61.300 0.179 0.000 1.033 318 I CB 1.450 39.446 38.000 -0.007 0.000 1.233 318 I HN -0.064 nan 8.210 nan 0.000 0.462 319 V N -1.011 118.837 119.914 -0.110 0.000 3.046 319 V HA 0.694 4.814 4.120 -0.001 0.000 0.316 319 V C -2.780 173.194 176.094 -0.199 0.000 1.104 319 V CA -2.596 59.605 62.300 -0.166 0.000 1.006 319 V CB 1.003 32.707 31.823 -0.199 0.000 1.058 319 V HN 0.638 nan 8.190 nan 0.000 0.440 320 P HA 0.351 nan 4.420 nan 0.000 0.264 320 P C 0.921 178.167 177.300 -0.091 0.000 1.183 320 P CA 1.959 64.999 63.100 -0.102 0.000 0.763 320 P CB 0.708 32.364 31.700 -0.074 0.000 0.807 321 G N 2.165 110.939 108.800 -0.043 0.000 2.213 321 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.226 321 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.226 321 G C -0.009 174.869 174.900 -0.036 0.000 0.992 321 G CA -0.309 44.752 45.100 -0.065 0.000 0.632 321 G HN 0.486 nan 8.290 nan 0.000 0.511 322 I N 0.610 121.150 120.570 -0.051 0.000 2.582 322 I HA 0.737 4.907 4.170 -0.001 0.000 0.292 322 I C 0.082 176.180 176.117 -0.032 0.000 1.066 322 I CA -0.710 60.634 61.300 0.072 0.000 1.053 322 I CB 2.157 40.049 38.000 -0.179 0.000 1.241 322 I HN 0.157 nan 8.210 nan 0.000 0.421 323 S N 3.308 119.032 115.700 0.039 0.000 2.880 323 S HA 0.698 5.168 4.470 -0.001 0.000 0.308 323 S C -0.938 173.631 174.600 -0.052 0.000 1.195 323 S CA -0.422 57.632 58.200 -0.245 0.000 0.866 323 S CB 0.936 64.036 63.200 -0.166 0.000 1.254 323 S HN 0.305 nan 8.310 nan 0.000 0.571 324 F N 1.929 122.050 119.950 0.285 0.000 2.266 324 F HA 0.777 5.304 4.527 -0.000 0.000 0.306 324 F C 1.077 177.006 175.800 0.215 0.000 1.016 324 F CA -0.100 58.022 58.000 0.203 0.000 1.127 324 F CB 0.165 39.217 39.000 0.087 0.000 1.735 324 F HN 0.662 nan 8.300 nan 0.000 0.540 325 S N -1.725 114.117 115.700 0.237 0.000 2.615 325 S HA 0.478 4.948 4.470 -0.001 0.000 0.269 325 S C -2.788 171.622 174.600 -0.317 0.000 1.161 325 S CA -1.147 57.017 58.200 -0.061 0.000 0.817 325 S CB 1.500 64.581 63.200 -0.198 0.000 1.131 325 S HN 0.155 nan 8.310 nan 0.000 0.467 326 P HA 0.134 nan 4.420 nan 0.000 0.242 326 P C -0.330 176.737 177.300 -0.389 0.000 1.197 326 P CA 0.267 63.040 63.100 -0.545 0.000 0.765 326 P CB -0.305 30.960 31.700 -0.724 0.000 0.936 327 D N 0.973 121.172 120.400 -0.335 0.000 2.502 327 D HA -0.091 4.549 4.640 -0.001 0.000 0.249 327 D C 1.016 177.243 176.300 -0.123 0.000 1.188 327 D CA 0.503 54.437 54.000 -0.110 0.000 0.890 327 D CB 0.720 41.484 40.800 -0.059 0.000 1.140 327 D HN 0.085 nan 8.370 nan 0.000 0.505 328 K N 3.626 123.997 120.400 -0.049 0.000 2.103 328 K HA -0.162 4.158 4.320 -0.001 0.000 0.207 328 K C 1.964 178.543 176.600 -0.034 0.000 1.048 328 K CA 0.947 57.215 56.287 -0.032 0.000 0.930 328 K CB -0.002 32.511 32.500 0.021 0.000 0.716 328 K HN 0.514 nan 8.250 nan 0.000 0.444 329 M N 0.823 120.426 119.600 0.006 0.000 2.099 329 M HA -0.113 4.367 4.480 -0.001 0.000 0.262 329 M C 2.304 178.518 176.300 -0.143 0.000 1.067 329 M CA 1.285 56.613 55.300 0.047 0.000 1.124 329 M CB -0.817 31.930 32.600 0.245 0.000 1.353 329 M HN 0.235 nan 8.290 nan 0.000 0.410 330 L N 0.275 121.215 121.223 -0.472 0.000 2.012 330 L HA -0.272 4.067 4.340 -0.001 0.000 0.210 330 L C 2.632 179.257 176.870 -0.408 0.000 1.073 330 L CA 1.598 55.962 54.840 -0.794 0.000 0.748 330 L CB -0.406 41.113 42.059 -0.900 0.000 0.891 330 L HN 0.380 nan 8.230 nan 0.000 0.431 331 Q N -0.389 119.233 119.800 -0.297 0.000 2.077 331 Q HA -0.216 4.124 4.340 -0.001 0.000 0.206 331 Q C 2.028 177.939 176.000 -0.148 0.000 0.989 331 Q CA 1.899 57.567 55.803 -0.225 0.000 0.853 331 Q CB -0.714 27.933 28.738 -0.152 0.000 0.907 331 Q HN 0.669 nan 8.270 nan 0.000 0.418 332 G N 0.691 109.435 108.800 -0.092 0.000 2.432 332 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.219 332 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.219 332 G C 1.504 176.406 174.900 0.004 0.000 1.135 332 G CA 0.411 45.502 45.100 -0.014 0.000 0.767 332 G HN 0.282 nan 8.290 nan 0.000 0.550 333 R N -0.230 120.233 120.500 -0.061 0.000 2.189 333 R HA 0.166 4.506 4.340 -0.001 0.000 0.223 333 R C 2.371 178.670 176.300 -0.002 0.000 1.092 333 R CA 0.276 56.391 56.100 0.025 0.000 0.989 333 R CB -0.291 29.997 30.300 -0.020 0.000 0.876 333 R HN 0.337 nan 8.270 nan 0.000 0.457 334 L N -0.351 120.801 121.223 -0.119 0.000 2.191 334 L HA -0.156 4.184 4.340 -0.001 0.000 0.212 334 L C 2.043 178.911 176.870 -0.004 0.000 1.103 334 L CA 1.049 55.794 54.840 -0.158 0.000 0.769 334 L CB -0.283 41.578 42.059 -0.330 0.000 0.908 334 L HN 0.189 nan 8.230 nan 0.000 0.438 335 F N -0.552 119.353 119.950 -0.075 0.000 2.343 335 F HA -0.019 4.508 4.527 -0.001 0.000 0.286 335 F C 2.678 178.459 175.800 -0.032 0.000 1.057 335 F CA 1.047 59.020 58.000 -0.046 0.000 1.365 335 F CB -0.356 38.613 39.000 -0.052 0.000 1.114 335 F HN -0.123 nan 8.300 nan 0.000 0.545 336 S N -0.082 115.394 115.700 -0.374 0.000 2.359 336 S HA -0.274 4.195 4.470 -0.001 0.000 0.223 336 S C 2.091 176.393 174.600 -0.496 0.000 1.039 336 S CA 2.160 60.055 58.200 -0.507 0.000 1.042 336 S CB -0.833 62.196 63.200 -0.286 0.000 0.915 336 S HN 0.514 nan 8.310 nan 0.000 0.439 337 Y N 1.488 121.522 120.300 -0.443 0.000 2.097 337 Y HA -0.006 4.543 4.550 -0.000 0.000 0.282 337 Y C 2.908 178.330 175.900 -0.796 0.000 1.152 337 Y CA 1.163 58.915 58.100 -0.580 0.000 1.136 337 Y CB -1.315 36.888 38.460 -0.428 0.000 0.975 337 Y HN 0.399 nan 8.280 nan 0.000 0.498 338 G N -0.631 107.990 108.800 -0.298 0.000 2.440 338 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.218 338 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.218 338 G C 1.305 176.088 174.900 -0.195 0.000 1.154 338 G CA 1.416 46.421 45.100 -0.157 0.000 0.767 338 G HN 0.439 nan 8.290 nan 0.000 0.552 339 D N 0.652 120.836 120.400 -0.360 0.000 2.123 339 D HA 0.006 4.646 4.640 -0.001 0.000 0.196 339 D C 2.680 178.858 176.300 -0.203 0.000 0.992 339 D CA 1.542 55.341 54.000 -0.336 0.000 0.833 339 D CB -0.340 40.031 40.800 -0.715 0.000 0.954 339 D HN 0.250 nan 8.370 nan 0.000 0.455 340 A N -0.763 121.883 122.820 -0.290 0.000 1.930 340 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 340 A C 1.990 179.559 177.584 -0.024 0.000 1.175 340 A CA 1.655 53.596 52.037 -0.161 0.000 0.627 340 A CB -1.010 17.825 19.000 -0.275 0.000 0.815 340 A HN 0.487 nan 8.150 nan 0.000 0.443 341 H N -0.754 118.249 119.070 -0.112 0.000 2.321 341 H HA -0.076 4.480 4.556 -0.001 0.000 0.300 341 H C 2.439 177.692 175.328 -0.126 0.000 1.087 341 H CA 1.283 57.202 56.048 -0.216 0.000 1.319 341 H CB -0.019 29.471 29.762 -0.454 0.000 1.379 341 H HN 0.398 nan 8.280 nan 0.000 0.501 342 R N -0.061 120.515 120.500 0.126 0.000 2.096 342 R HA -0.185 4.155 4.340 -0.001 0.000 0.235 342 R C 2.084 178.460 176.300 0.128 0.000 1.127 342 R CA 1.578 57.773 56.100 0.159 0.000 0.968 342 R CB -0.324 30.060 30.300 0.140 0.000 0.861 342 R HN 0.411 nan 8.270 nan 0.000 0.440 343 Y N 1.331 121.634 120.300 0.006 0.000 2.176 343 Y HA -0.112 4.438 4.550 -0.001 0.000 0.291 343 Y C 2.506 178.408 175.900 0.004 0.000 1.122 343 Y CA 1.313 59.414 58.100 0.001 0.000 1.128 343 Y CB -0.170 38.280 38.460 -0.016 0.000 1.005 343 Y HN -0.193 nan 8.280 nan 0.000 0.509 344 R N -0.117 120.312 120.500 -0.118 0.000 2.092 344 R HA -0.073 4.267 4.340 -0.001 0.000 0.231 344 R C 1.426 177.627 176.300 -0.165 0.000 1.119 344 R CA 2.032 58.016 56.100 -0.194 0.000 0.970 344 R CB -0.193 30.095 30.300 -0.020 0.000 0.864 344 R HN 0.506 nan 8.270 nan 0.000 0.440 345 L N -1.207 119.956 121.223 -0.100 0.000 2.749 345 L HA 0.393 4.732 4.340 -0.001 0.000 0.242 345 L C 0.477 177.339 176.870 -0.014 0.000 1.103 345 L CA 0.088 54.883 54.840 -0.075 0.000 0.906 345 L CB 1.216 43.210 42.059 -0.108 0.000 1.228 345 L HN 0.416 nan 8.230 nan 0.000 0.517 346 G N -0.097 108.713 108.800 0.016 0.000 2.629 346 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.686 346 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.686 346 G C 0.088 175.067 174.900 0.131 0.000 1.232 346 G CA -0.354 44.771 45.100 0.042 0.000 0.803 346 G HN -0.261 nan 8.290 nan 0.000 0.638 347 V N 0.546 120.512 119.914 0.086 0.000 2.490 347 V HA -0.058 4.062 4.120 -0.001 0.000 0.250 347 V C 1.707 177.799 176.094 -0.004 0.000 1.061 347 V CA 2.337 64.684 62.300 0.078 0.000 1.064 347 V CB -0.316 31.529 31.823 0.037 0.000 0.670 347 V HN 0.643 nan 8.190 nan 0.000 0.461 348 N N 0.399 119.078 118.700 -0.035 0.000 2.466 348 N HA 0.053 4.793 4.740 -0.001 0.000 0.251 348 N C 1.219 176.510 175.510 -0.364 0.000 1.164 348 N CA 0.287 53.234 53.050 -0.171 0.000 0.888 348 N CB -0.330 38.079 38.487 -0.129 0.000 1.177 348 N HN 0.796 nan 8.380 nan 0.000 0.498 349 H N -0.033 118.962 119.070 -0.124 0.000 2.545 349 H HA -0.090 4.466 4.556 -0.001 0.000 0.282 349 H C 1.376 176.592 175.328 -0.187 0.000 1.020 349 H CA 0.789 56.739 56.048 -0.163 0.000 1.243 349 H CB -0.346 29.336 29.762 -0.134 0.000 1.377 349 H HN 0.495 nan 8.280 nan 0.000 0.581 350 H N 1.097 120.010 119.070 -0.262 0.000 2.489 350 H HA -0.071 4.485 4.556 -0.001 0.000 0.293 350 H C 1.130 176.416 175.328 -0.069 0.000 1.066 350 H CA 0.930 56.899 56.048 -0.131 0.000 1.305 350 H CB -0.236 29.490 29.762 -0.060 0.000 1.386 350 H HN 0.457 nan 8.280 nan 0.000 0.551 351 Q N 0.921 120.409 119.800 -0.520 0.000 2.369 351 Q HA 0.152 4.492 4.340 -0.001 0.000 0.206 351 Q C 0.666 176.576 176.000 -0.149 0.000 0.963 351 Q CA 0.136 55.780 55.803 -0.264 0.000 0.894 351 Q CB 0.314 28.872 28.738 -0.301 0.000 0.965 351 Q HN 0.484 nan 8.270 nan 0.000 0.475 352 I N 2.537 123.014 120.570 -0.154 0.000 2.587 352 I HA -0.048 4.122 4.170 -0.001 0.000 0.284 352 I C -1.613 174.417 176.117 -0.144 0.000 1.134 352 I CA -1.477 59.739 61.300 -0.139 0.000 1.410 352 I CB 0.574 38.478 38.000 -0.160 0.000 1.392 352 I HN -0.087 nan 8.210 nan 0.000 0.545 353 P HA -0.269 nan 4.420 nan 0.000 0.219 353 P C 1.759 178.951 177.300 -0.181 0.000 1.161 353 P CA 1.186 64.194 63.100 -0.153 0.000 0.909 353 P CB 0.180 31.796 31.700 -0.140 0.000 0.793 354 V N -0.465 119.331 119.914 -0.197 0.000 2.490 354 V HA -0.203 3.917 4.120 -0.001 0.000 0.250 354 V C 1.595 177.577 176.094 -0.186 0.000 1.061 354 V CA 2.078 64.240 62.300 -0.230 0.000 1.064 354 V CB -0.976 30.547 31.823 -0.501 0.000 0.670 354 V HN 0.119 nan 8.190 nan 0.000 0.461 355 N N 0.460 119.036 118.700 -0.206 0.000 2.422 355 N HA 0.177 4.917 4.740 -0.001 0.000 0.181 355 N C 0.659 176.111 175.510 -0.097 0.000 1.080 355 N CA 0.768 53.714 53.050 -0.174 0.000 0.893 355 N CB -0.112 38.279 38.487 -0.159 0.000 0.973 355 N HN 0.532 nan 8.380 nan 0.000 0.456 356 A N 2.822 125.573 122.820 -0.115 0.000 2.462 356 A HA 0.301 4.621 4.320 -0.001 0.000 0.243 356 A C -2.035 175.446 177.584 -0.172 0.000 1.076 356 A CA -0.858 51.074 52.037 -0.175 0.000 0.773 356 A CB -0.059 18.839 19.000 -0.171 0.000 1.010 356 A HN 0.009 nan 8.150 nan 0.000 0.493 357 P HA 0.228 nan 4.420 nan 0.000 0.277 357 P C -0.211 176.986 177.300 -0.170 0.000 1.240 357 P CA -0.213 62.764 63.100 -0.204 0.000 0.798 357 P CB 1.129 32.603 31.700 -0.376 0.000 0.979 358 K N 0.377 120.732 120.400 -0.076 0.000 2.244 358 K HA 0.074 4.394 4.320 -0.001 0.000 0.200 358 K C 1.273 177.850 176.600 -0.039 0.000 1.052 358 K CA 0.588 56.813 56.287 -0.103 0.000 0.980 358 K CB -0.352 32.063 32.500 -0.142 0.000 0.838 358 K HN 0.633 nan 8.250 nan 0.000 0.481 359 C N 2.201 121.499 119.300 -0.004 0.000 2.921 359 C HA 0.206 4.666 4.460 -0.001 0.000 0.270 359 C C -1.882 173.142 174.990 0.056 0.000 1.509 359 C CA -1.575 57.456 59.018 0.022 0.000 2.019 359 C CB -1.017 26.738 27.740 0.025 0.000 2.074 359 C HN 0.220 nan 8.230 nan 0.000 0.665 360 P HA 0.162 nan 4.420 nan 0.000 0.267 360 P C -1.118 176.311 177.300 0.214 0.000 1.209 360 P CA 0.573 63.738 63.100 0.109 0.000 0.763 360 P CB 0.052 31.793 31.700 0.067 0.000 0.816 361 F N 4.486 124.453 119.950 0.030 0.000 2.434 361 F HA 0.289 4.816 4.527 -0.001 0.000 0.355 361 F C -0.605 175.260 175.800 0.109 0.000 1.115 361 F CA -1.447 56.582 58.000 0.050 0.000 1.010 361 F CB 0.585 39.603 39.000 0.031 0.000 1.234 361 F HN 0.322 nan 8.300 nan 0.000 0.439 362 H N 4.656 123.653 119.070 -0.123 0.000 2.643 362 H HA 0.347 4.903 4.556 -0.001 0.000 0.259 362 H C -0.680 174.480 175.328 -0.280 0.000 1.298 362 H CA -0.600 55.318 56.048 -0.217 0.000 1.301 362 H CB 0.014 29.738 29.762 -0.064 0.000 1.422 362 H HN 0.433 nan 8.280 nan 0.000 0.521 363 N N 2.706 120.974 118.700 -0.719 0.000 2.470 363 N HA -0.035 4.705 4.740 -0.001 0.000 0.268 363 N C 0.438 175.700 175.510 -0.415 0.000 1.136 363 N CA 0.084 52.724 53.050 -0.682 0.000 0.961 363 N CB 0.318 38.234 38.487 -0.952 0.000 1.067 363 N HN 0.643 nan 8.380 nan 0.000 0.468 364 Y N 3.941 123.857 120.300 -0.640 0.000 2.389 364 Y HA 0.125 4.675 4.550 -0.001 0.000 0.292 364 Y C 0.316 175.882 175.900 -0.557 0.000 1.117 364 Y CA 0.437 58.065 58.100 -0.787 0.000 1.195 364 Y CB -0.072 37.811 38.460 -0.962 0.000 1.076 364 Y HN 0.540 nan 8.280 nan 0.000 0.548 365 H N 2.577 121.455 119.070 -0.320 0.000 3.125 365 H HA 0.037 4.593 4.556 -0.001 0.000 0.310 365 H C 0.045 175.189 175.328 -0.307 0.000 0.980 365 H CA 0.452 56.331 56.048 -0.282 0.000 1.422 365 H CB 0.144 29.838 29.762 -0.113 0.000 1.432 365 H HN 0.305 nan 8.280 nan 0.000 0.577 366 R N 2.703 123.086 120.500 -0.194 0.000 2.407 366 R HA 0.114 4.454 4.340 -0.001 0.000 0.303 366 R C -0.182 176.085 176.300 -0.054 0.000 0.981 366 R CA -0.344 55.661 56.100 -0.159 0.000 0.905 366 R CB 0.688 30.857 30.300 -0.219 0.000 1.099 366 R HN 0.707 nan 8.270 nan 0.000 0.459 367 D N 1.627 122.010 120.400 -0.029 0.000 3.528 367 D HA -0.254 4.386 4.640 -0.001 0.000 0.163 367 D C 0.139 176.448 176.300 0.015 0.000 1.069 367 D CA 2.037 56.034 54.000 -0.004 0.000 1.082 367 D CB -1.331 39.464 40.800 -0.009 0.000 0.538 367 D HN 1.026 nan 8.370 nan 0.000 0.579 368 G N -0.593 108.213 108.800 0.011 0.000 2.712 368 G HA2 0.396 4.356 3.960 -0.001 0.000 0.686 368 G HA3 0.396 4.356 3.960 -0.001 0.000 0.686 368 G C 0.058 174.966 174.900 0.013 0.000 1.321 368 G CA 0.487 45.597 45.100 0.016 0.000 0.813 368 G HN 1.475 nan 8.290 nan 0.000 0.599 369 A N 1.258 124.084 122.820 0.009 0.000 2.561 369 A HA 0.596 4.916 4.320 -0.001 0.000 0.234 369 A C 1.474 179.055 177.584 -0.004 0.000 1.055 369 A CA 1.752 53.790 52.037 0.002 0.000 0.756 369 A CB 0.010 19.010 19.000 0.000 0.000 0.986 369 A HN 2.613 nan 8.150 nan 0.000 0.505 370 M N 0.565 120.162 119.600 -0.006 0.000 2.302 370 M HA -0.150 4.329 4.480 -0.001 0.000 0.200 370 M C 0.153 176.445 176.300 -0.013 0.000 0.366 370 M CA 0.670 55.964 55.300 -0.010 0.000 0.440 370 M CB -1.338 31.252 32.600 -0.016 0.000 1.475 370 M HN 0.813 nan 8.290 nan 0.000 0.905 371 R N 0.380 120.880 120.500 0.000 0.000 2.357 371 R HA 0.413 4.753 4.340 -0.001 0.000 0.330 371 R C 1.043 177.350 176.300 0.011 0.000 1.102 371 R CA 0.558 56.665 56.100 0.012 0.000 0.974 371 R CB 0.060 30.374 30.300 0.024 0.000 1.002 371 R HN 0.502 nan 8.270 nan 0.000 0.463 372 V N 0.061 119.978 119.914 0.005 0.000 3.661 372 V HA 0.178 4.297 4.120 -0.001 0.000 0.271 372 V C 0.757 176.864 176.094 0.022 0.000 1.315 372 V CA 0.656 62.962 62.300 0.009 0.000 1.072 372 V CB 0.372 32.194 31.823 -0.001 0.000 0.830 372 V HN 0.644 nan 8.190 nan 0.000 0.443 373 D N 0.910 121.336 120.400 0.043 0.000 2.328 373 D HA 0.299 4.939 4.640 -0.001 0.000 0.226 373 D C 1.610 177.941 176.300 0.050 0.000 1.066 373 D CA 0.732 54.770 54.000 0.064 0.000 0.861 373 D CB 0.206 41.083 40.800 0.129 0.000 0.912 373 D HN 0.830 nan 8.370 nan 0.000 0.521 374 G N -0.274 108.546 108.800 0.034 0.000 2.195 374 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.224 374 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.224 374 G C 0.407 175.316 174.900 0.015 0.000 0.990 374 G CA -0.059 45.054 45.100 0.021 0.000 0.639 374 G HN 0.580 nan 8.290 nan 0.000 0.514 375 N N -1.289 117.423 118.700 0.021 0.000 6.932 375 N HA -0.188 4.552 4.740 -0.001 0.000 0.423 375 N C 1.310 176.805 175.510 -0.025 0.000 0.940 375 N CA 2.132 55.184 53.050 0.004 0.000 1.283 375 N CB -1.265 37.221 38.487 -0.002 0.000 0.827 375 N HN 1.236 nan 8.380 nan 0.000 0.267 376 S N -0.499 115.171 115.700 -0.050 0.000 2.593 376 S HA 0.474 4.943 4.470 -0.001 0.000 0.217 376 S C 0.819 175.446 174.600 0.045 0.000 0.966 376 S CA 1.234 59.397 58.200 -0.061 0.000 0.914 376 S CB -0.122 62.962 63.200 -0.194 0.000 0.776 376 S HN 1.511 nan 8.310 nan 0.000 0.523 377 G N 0.599 109.415 108.800 0.027 0.000 2.329 377 G HA2 0.167 4.126 3.960 -0.001 0.000 0.308 377 G HA3 0.167 4.126 3.960 -0.001 0.000 0.308 377 G C -0.733 174.186 174.900 0.031 0.000 1.587 377 G CA -0.780 44.347 45.100 0.044 0.000 0.978 377 G HN 0.052 nan 8.290 nan 0.000 0.685 378 N N -0.191 118.522 118.700 0.023 0.000 2.205 378 N HA 0.231 4.970 4.740 -0.001 0.000 0.201 378 N C 1.323 176.853 175.510 0.034 0.000 1.128 378 N CA 0.972 54.035 53.050 0.023 0.000 0.867 378 N CB 1.523 40.017 38.487 0.011 0.000 0.996 378 N HN 0.835 nan 8.380 nan 0.000 0.503 379 G N 0.259 109.086 108.800 0.044 0.000 2.543 379 G HA2 0.359 4.319 3.960 -0.001 0.000 0.202 379 G HA3 0.359 4.319 3.960 -0.001 0.000 0.202 379 G C -0.170 174.797 174.900 0.111 0.000 1.897 379 G CA -0.281 44.855 45.100 0.061 0.000 0.726 379 G HN 0.058 nan 8.290 nan 0.000 0.804 380 I N 2.478 123.095 120.570 0.079 0.000 2.471 380 I HA 0.251 4.421 4.170 -0.001 0.000 0.286 380 I C 0.890 177.101 176.117 0.157 0.000 1.079 380 I CA 0.368 61.705 61.300 0.060 0.000 1.398 380 I CB 1.673 39.569 38.000 -0.173 0.000 1.403 380 I HN 0.448 nan 8.210 nan 0.000 0.530 381 T N 2.099 116.806 114.554 0.255 0.000 3.231 381 T HA 0.251 4.600 4.350 -0.001 0.000 0.292 381 T C -0.309 174.530 174.700 0.231 0.000 1.001 381 T CA -0.418 61.824 62.100 0.237 0.000 0.920 381 T CB -0.341 68.571 68.868 0.074 0.000 1.140 381 T HN 0.505 nan 8.240 nan 0.000 0.525 382 Y N -1.471 118.979 120.300 0.250 0.000 2.634 382 Y HA 0.916 5.465 4.550 -0.001 0.000 0.340 382 Y C -0.781 175.259 175.900 0.233 0.000 1.058 382 Y CA -1.426 56.804 58.100 0.216 0.000 1.081 382 Y CB 1.410 39.947 38.460 0.128 0.000 1.295 382 Y HN 0.016 nan 8.280 nan 0.000 0.487 383 E N 1.899 122.227 120.200 0.212 0.000 2.354 383 E HA 0.301 4.650 4.350 -0.001 0.000 0.283 383 E C -2.989 173.695 176.600 0.140 0.000 0.938 383 E CA -1.748 54.718 56.400 0.111 0.000 0.777 383 E CB 2.233 31.959 29.700 0.043 0.000 1.222 383 E HN 0.797 nan 8.360 nan 0.000 0.423 384 P HA 0.243 nan 4.420 nan 0.000 0.268 384 P C -0.813 176.599 177.300 0.186 0.000 1.205 384 P CA -0.078 63.095 63.100 0.121 0.000 0.771 384 P CB 0.624 32.381 31.700 0.096 0.000 0.858 385 N N -0.964 117.783 118.700 0.077 0.000 2.774 385 N HA 0.335 5.075 4.740 -0.001 0.000 0.264 385 N C -0.275 175.259 175.510 0.041 0.000 1.415 385 N CA -0.956 52.123 53.050 0.049 0.000 0.815 385 N CB 0.767 39.069 38.487 -0.309 0.000 1.514 385 N HN 0.060 nan 8.380 nan 0.000 0.523 386 S N -1.785 113.944 115.700 0.048 0.000 2.554 386 S HA 0.283 4.752 4.470 -0.001 0.000 0.226 386 S C 1.062 175.662 174.600 0.001 0.000 0.980 386 S CA -0.163 58.056 58.200 0.032 0.000 0.939 386 S CB -0.032 63.198 63.200 0.050 0.000 0.832 386 S HN 0.765 nan 8.310 nan 0.000 0.486 387 G N 0.632 109.414 108.800 -0.030 0.000 3.189 387 G HA2 0.420 4.379 3.960 -0.001 0.000 0.225 387 G HA3 0.420 4.379 3.960 -0.001 0.000 0.225 387 G C 0.968 175.827 174.900 -0.069 0.000 1.159 387 G CA 0.052 45.122 45.100 -0.050 0.000 0.763 387 G HN 0.628 nan 8.290 nan 0.000 0.549 388 G N -0.562 108.205 108.800 -0.056 0.000 2.249 388 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.273 388 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.273 388 G C 0.115 174.959 174.900 -0.093 0.000 1.036 388 G CA 0.374 45.440 45.100 -0.057 0.000 0.824 388 G HN 0.899 nan 8.290 nan 0.000 0.504 389 V N -0.912 118.930 119.914 -0.119 0.000 2.630 389 V HA 0.760 4.879 4.120 -0.001 0.000 0.305 389 V C 1.061 177.109 176.094 -0.078 0.000 1.046 389 V CA -0.486 61.682 62.300 -0.221 0.000 0.934 389 V CB 1.127 32.719 31.823 -0.386 0.000 1.003 389 V HN 0.739 nan 8.190 nan 0.000 0.451 390 F N 0.780 120.823 119.950 0.156 0.000 3.074 390 F HA -0.171 4.356 4.527 -0.001 0.000 0.287 390 F C 0.784 176.588 175.800 0.006 0.000 0.932 390 F CA 0.329 58.366 58.000 0.062 0.000 0.995 390 F CB -1.682 37.303 39.000 -0.025 0.000 0.966 390 F HN 0.597 nan 8.300 nan 0.000 0.721 391 Q N 1.427 121.315 119.800 0.148 0.000 2.288 391 Q HA 0.239 4.578 4.340 -0.001 0.000 0.254 391 Q C 0.876 176.929 176.000 0.089 0.000 0.932 391 Q CA -0.175 55.680 55.803 0.087 0.000 0.902 391 Q CB 0.979 29.745 28.738 0.047 0.000 1.203 391 Q HN 0.681 nan 8.270 nan 0.000 0.415 392 E N 1.578 121.817 120.200 0.064 0.000 2.409 392 E HA 0.049 4.398 4.350 -0.001 0.000 0.257 392 E C -0.699 175.952 176.600 0.085 0.000 1.150 392 E CA -0.231 56.207 56.400 0.063 0.000 0.942 392 E CB 0.524 30.249 29.700 0.040 0.000 0.979 392 E HN 0.387 nan 8.360 nan 0.000 0.447 393 Q N 1.045 120.916 119.800 0.119 0.000 2.644 393 Q HA 0.181 4.520 4.340 -0.001 0.000 0.245 393 Q C -1.870 174.232 176.000 0.170 0.000 1.064 393 Q CA -1.803 54.106 55.803 0.176 0.000 0.860 393 Q CB 1.350 30.278 28.738 0.318 0.000 1.145 393 Q HN 0.511 nan 8.270 nan 0.000 0.515 394 P HA -0.148 nan 4.420 nan 0.000 0.228 394 P C -0.001 177.293 177.300 -0.010 0.000 1.151 394 P CA 0.865 63.990 63.100 0.042 0.000 0.770 394 P CB 0.474 32.184 31.700 0.017 0.000 0.786 395 D N -0.959 119.388 120.400 -0.090 0.000 2.371 395 D HA -0.024 4.615 4.640 -0.001 0.000 0.221 395 D C 0.716 176.746 176.300 -0.450 0.000 0.986 395 D CA 0.717 54.540 54.000 -0.295 0.000 0.899 395 D CB -0.443 40.093 40.800 -0.439 0.000 0.902 395 D HN 0.286 nan 8.370 nan 0.000 0.530 396 F N 0.686 120.634 119.950 -0.002 0.000 2.668 396 F HA 0.144 4.671 4.527 -0.001 0.000 0.301 396 F C 0.792 176.590 175.800 -0.004 0.000 1.106 396 F CA -0.655 57.342 58.000 -0.006 0.000 1.289 396 F CB 0.074 39.071 39.000 -0.004 0.000 1.006 396 F HN -0.252 nan 8.300 nan 0.000 0.535 397 K N 1.145 121.610 120.400 0.110 0.000 2.436 397 K HA 0.205 4.525 4.320 -0.001 0.000 0.275 397 K C -0.311 176.323 176.600 0.056 0.000 0.999 397 K CA -0.024 56.308 56.287 0.075 0.000 0.980 397 K CB 0.822 33.347 32.500 0.041 0.000 0.919 397 K HN 0.257 nan 8.250 nan 0.000 0.484 398 E N 2.814 123.044 120.200 0.051 0.000 2.222 398 E HA 0.288 4.637 4.350 -0.001 0.000 0.272 398 E C -2.155 174.456 176.600 0.018 0.000 0.982 398 E CA -2.418 54.002 56.400 0.033 0.000 0.842 398 E CB 0.966 30.686 29.700 0.033 0.000 1.144 398 E HN 0.590 nan 8.360 nan 0.000 0.397 399 P HA 0.146 nan 4.420 nan 0.000 0.269 399 P C -2.469 174.830 177.300 -0.003 0.000 1.215 399 P CA -0.944 62.150 63.100 -0.010 0.000 0.780 399 P CB -0.343 31.337 31.700 -0.033 0.000 0.898 400 P HA 0.210 nan 4.420 nan 0.000 0.271 400 P C -0.816 176.491 177.300 0.012 0.000 1.244 400 P CA -0.172 62.935 63.100 0.012 0.000 0.793 400 P CB 0.225 31.930 31.700 0.009 0.000 0.984 401 L N 0.603 121.843 121.223 0.029 0.000 2.372 401 L HA 0.333 4.673 4.340 -0.001 0.000 0.273 401 L C -0.483 176.411 176.870 0.040 0.000 0.989 401 L CA -0.187 54.681 54.840 0.046 0.000 0.841 401 L CB 1.010 43.117 42.059 0.080 0.000 1.225 401 L HN 0.268 nan 8.230 nan 0.000 0.414 402 S N 5.403 121.126 115.700 0.038 0.000 2.563 402 S HA 0.427 4.896 4.470 -0.001 0.000 0.284 402 S C 0.032 174.645 174.600 0.022 0.000 1.331 402 S CA 0.045 58.261 58.200 0.027 0.000 1.047 402 S CB 0.272 63.488 63.200 0.027 0.000 0.859 402 S HN 0.506 nan 8.310 nan 0.000 0.514 403 I N 2.405 122.979 120.570 0.007 0.000 2.436 403 I HA 0.309 4.478 4.170 -0.001 0.000 0.289 403 I C -0.539 175.566 176.117 -0.021 0.000 1.010 403 I CA -0.585 60.709 61.300 -0.010 0.000 1.098 403 I CB 1.622 39.620 38.000 -0.005 0.000 1.266 403 I HN 0.485 nan 8.210 nan 0.000 0.434 404 E N 5.402 125.571 120.200 -0.051 0.000 2.165 404 E HA 0.685 5.035 4.350 -0.001 0.000 0.266 404 E C 0.016 176.548 176.600 -0.114 0.000 0.889 404 E CA -0.523 55.838 56.400 -0.065 0.000 0.756 404 E CB 1.967 31.624 29.700 -0.071 0.000 1.131 404 E HN 0.851 nan 8.360 nan 0.000 0.411 405 G N 1.332 110.096 108.800 -0.060 0.000 2.662 405 G HA2 0.176 4.136 3.960 -0.001 0.000 0.686 405 G HA3 0.176 4.136 3.960 -0.001 0.000 0.686 405 G C -0.422 174.531 174.900 0.089 0.000 1.271 405 G CA -0.515 44.565 45.100 -0.032 0.000 0.816 405 G HN 0.710 nan 8.290 nan 0.000 0.608 406 A N 0.073 123.055 122.820 0.270 0.000 2.259 406 A HA 0.991 5.311 4.320 -0.001 0.000 0.278 406 A C 1.031 178.833 177.584 0.362 0.000 1.107 406 A CA 0.863 53.059 52.037 0.266 0.000 0.828 406 A CB 0.596 19.733 19.000 0.228 0.000 1.111 406 A HN 2.619 nan 8.150 nan 0.000 0.498 407 A N 0.440 123.384 122.820 0.206 0.000 2.362 407 A HA 0.583 4.903 4.320 -0.001 0.000 0.276 407 A C -0.245 177.391 177.584 0.087 0.000 1.153 407 A CA 0.082 52.217 52.037 0.163 0.000 0.813 407 A CB -0.009 19.024 19.000 0.056 0.000 1.081 407 A HN 0.904 nan 8.150 nan 0.000 0.507 408 D N -0.651 119.782 120.400 0.055 0.000 2.764 408 D HA 0.121 4.761 4.640 -0.001 0.000 0.293 408 D C -1.307 174.792 176.300 -0.335 0.000 1.287 408 D CA -0.488 53.343 54.000 -0.281 0.000 0.768 408 D CB 0.572 41.008 40.800 -0.607 0.000 1.288 408 D HN 0.532 nan 8.370 nan 0.000 0.426 409 H N 1.282 120.187 119.070 -0.274 0.000 2.969 409 H HA 0.173 4.729 4.556 -0.001 0.000 0.269 409 H C -0.503 174.685 175.328 -0.234 0.000 1.223 409 H CA 0.028 55.994 56.048 -0.136 0.000 1.400 409 H CB -0.172 29.529 29.762 -0.101 0.000 1.500 409 H HN 0.103 nan 8.280 nan 0.000 0.486 410 W N 2.848 124.216 121.300 0.113 0.000 2.358 410 W HA 0.055 4.715 4.660 -0.000 0.000 0.307 410 W C 0.966 177.547 176.519 0.103 0.000 1.203 410 W CA -0.575 56.824 57.345 0.089 0.000 1.279 410 W CB 0.258 29.758 29.460 0.066 0.000 1.264 410 W HN 0.459 nan 8.180 nan 0.000 0.474 411 N N 3.186 122.015 118.700 0.216 0.000 2.429 411 N HA -0.132 4.607 4.740 -0.001 0.000 0.271 411 N C 1.210 176.811 175.510 0.152 0.000 1.272 411 N CA 0.381 53.500 53.050 0.116 0.000 0.921 411 N CB 0.321 38.828 38.487 0.033 0.000 1.128 411 N HN 0.566 nan 8.380 nan 0.000 0.481 412 H N 2.643 121.813 119.070 0.167 0.000 2.545 412 H HA 0.108 4.664 4.556 -0.001 0.000 0.282 412 H C 0.852 176.262 175.328 0.136 0.000 1.020 412 H CA 1.006 57.146 56.048 0.153 0.000 1.243 412 H CB 0.079 29.931 29.762 0.149 0.000 1.377 412 H HN 0.457 nan 8.280 nan 0.000 0.581 413 R N 0.862 121.217 120.500 -0.242 0.000 2.346 413 R HA -0.024 4.316 4.340 -0.001 0.000 0.199 413 R C 0.762 177.071 176.300 0.015 0.000 1.015 413 R CA 0.342 56.396 56.100 -0.077 0.000 1.058 413 R CB 0.102 30.341 30.300 -0.101 0.000 0.921 413 R HN 0.473 nan 8.270 nan 0.000 0.475 414 E N 0.784 121.010 120.200 0.044 0.000 2.274 414 E HA -0.103 4.246 4.350 -0.001 0.000 0.194 414 E C 0.089 176.696 176.600 0.012 0.000 0.996 414 E CA 0.767 57.196 56.400 0.048 0.000 0.840 414 E CB -0.005 29.749 29.700 0.090 0.000 0.772 414 E HN 0.187 nan 8.360 nan 0.000 0.491 415 D N 0.996 121.399 120.400 0.004 0.000 2.373 415 D HA 0.067 4.707 4.640 -0.001 0.000 0.227 415 D C -0.150 175.980 176.300 -0.284 0.000 1.091 415 D CA -0.070 53.890 54.000 -0.067 0.000 0.840 415 D CB 0.572 41.375 40.800 0.006 0.000 1.060 415 D HN -0.126 nan 8.370 nan 0.000 0.502 416 E N 2.205 122.176 120.200 -0.382 0.000 2.499 416 E HA 0.011 4.361 4.350 -0.001 0.000 0.199 416 E C -0.398 175.718 176.600 -0.805 0.000 1.016 416 E CA -0.200 55.721 56.400 -0.799 0.000 0.933 416 E CB 0.513 30.045 29.700 -0.279 0.000 1.050 416 E HN 0.291 nan 8.360 nan 0.000 0.462 417 D N 0.150 120.238 120.400 -0.520 0.000 2.608 417 D HA -0.027 4.612 4.640 -0.001 0.000 0.224 417 D C -0.115 175.992 176.300 -0.321 0.000 1.123 417 D CA -0.048 53.791 54.000 -0.270 0.000 1.030 417 D CB -0.177 40.562 40.800 -0.101 0.000 1.093 417 D HN 0.134 nan 8.370 nan 0.000 0.497 418 Y N 0.439 120.492 120.300 -0.412 0.000 2.500 418 Y HA 0.156 4.706 4.550 -0.001 0.000 0.270 418 Y C 1.097 176.561 175.900 -0.726 0.000 1.134 418 Y CA -0.021 57.676 58.100 -0.671 0.000 1.293 418 Y CB -0.154 37.649 38.460 -1.095 0.000 1.063 418 Y HN 0.226 nan 8.280 nan 0.000 0.534 419 F N -1.590 118.449 119.950 0.148 0.000 2.602 419 F HA 0.058 4.584 4.527 -0.001 0.000 0.284 419 F C 2.422 178.250 175.800 0.046 0.000 1.111 419 F CA 0.458 58.513 58.000 0.092 0.000 1.405 419 F CB -0.863 38.186 39.000 0.082 0.000 1.121 419 F HN -0.067 nan 8.300 nan 0.000 0.603 420 S N 0.601 116.405 115.700 0.172 0.000 2.365 420 S HA -0.266 4.204 4.470 -0.001 0.000 0.225 420 S C 1.831 176.444 174.600 0.023 0.000 1.039 420 S CA 1.492 59.751 58.200 0.097 0.000 1.033 420 S CB -0.779 62.460 63.200 0.065 0.000 0.887 420 S HN 0.476 nan 8.310 nan 0.000 0.447 421 Q N 1.379 121.136 119.800 -0.071 0.000 2.016 421 Q HA 0.009 4.349 4.340 -0.001 0.000 0.200 421 Q C -0.330 175.445 176.000 -0.375 0.000 0.978 421 Q CA 1.469 57.121 55.803 -0.253 0.000 0.833 421 Q CB -1.415 27.116 28.738 -0.346 0.000 0.895 421 Q HN 0.559 nan 8.270 nan 0.000 0.427 422 P HA -0.170 nan 4.420 nan 0.000 0.220 422 P C 1.127 178.517 177.300 0.150 0.000 1.148 422 P CA 1.247 64.308 63.100 -0.064 0.000 0.803 422 P CB -0.133 31.649 31.700 0.137 0.000 0.782 423 R N 0.430 121.027 120.500 0.162 0.000 2.075 423 R HA -0.031 4.309 4.340 -0.001 0.000 0.232 423 R C 2.323 178.755 176.300 0.220 0.000 1.126 423 R CA 1.499 57.743 56.100 0.239 0.000 0.963 423 R CB -0.871 29.558 30.300 0.215 0.000 0.858 423 R HN 0.017 nan 8.270 nan 0.000 0.435 424 A N 1.249 124.139 122.820 0.117 0.000 1.908 424 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 424 A C 2.047 179.687 177.584 0.094 0.000 1.181 424 A CA 1.484 53.575 52.037 0.089 0.000 0.627 424 A CB -0.676 18.344 19.000 0.033 0.000 0.818 424 A HN 0.419 nan 8.150 nan 0.000 0.445 425 L N -1.652 119.623 121.223 0.087 0.000 2.027 425 L HA -0.130 4.210 4.340 -0.001 0.000 0.206 425 L C 2.308 179.250 176.870 0.121 0.000 1.074 425 L CA 2.491 57.391 54.840 0.100 0.000 0.745 425 L CB -1.013 41.126 42.059 0.133 0.000 0.898 425 L HN 0.509 nan 8.230 nan 0.000 0.433 426 Y N 0.862 121.191 120.300 0.048 0.000 2.114 426 Y HA -0.306 4.244 4.550 -0.001 0.000 0.282 426 Y C 2.369 178.330 175.900 0.103 0.000 1.165 426 Y CA 2.385 60.493 58.100 0.013 0.000 1.148 426 Y CB -0.216 38.198 38.460 -0.076 0.000 0.972 426 Y HN 0.401 nan 8.280 nan 0.000 0.504 427 E N -0.034 120.276 120.200 0.183 0.000 2.338 427 E HA -0.166 4.184 4.350 -0.001 0.000 0.197 427 E C 2.018 178.612 176.600 -0.011 0.000 1.007 427 E CA 0.972 57.430 56.400 0.096 0.000 0.849 427 E CB -0.162 29.648 29.700 0.183 0.000 0.774 427 E HN 0.548 nan 8.360 nan 0.000 0.506 428 L N 0.437 121.646 121.223 -0.024 0.000 2.270 428 L HA -0.025 4.315 4.340 -0.001 0.000 0.210 428 L C 0.419 177.203 176.870 -0.143 0.000 1.104 428 L CA -0.057 54.749 54.840 -0.058 0.000 0.804 428 L CB 0.091 42.135 42.059 -0.024 0.000 0.937 428 L HN 0.082 nan 8.230 nan 0.000 0.450 429 L N -0.018 121.068 121.223 -0.228 0.000 2.417 429 L HA 0.112 4.452 4.340 -0.001 0.000 0.268 429 L C 0.888 177.357 176.870 -0.668 0.000 1.158 429 L CA 0.149 54.754 54.840 -0.392 0.000 0.819 429 L CB 0.939 42.757 42.059 -0.403 0.000 1.112 429 L HN 0.073 nan 8.230 nan 0.000 0.458 430 S N 0.453 115.824 115.700 -0.548 0.000 2.600 430 S HA 0.062 4.532 4.470 -0.001 0.000 0.265 430 S C 0.904 175.062 174.600 -0.737 0.000 1.325 430 S CA -0.120 57.775 58.200 -0.510 0.000 1.002 430 S CB 0.642 63.664 63.200 -0.296 0.000 0.921 430 S HN 0.680 nan 8.310 nan 0.000 0.554 431 D N 0.497 120.631 120.400 -0.444 0.000 2.144 431 D HA -0.147 4.492 4.640 -0.001 0.000 0.199 431 D C 1.154 177.310 176.300 -0.239 0.000 0.984 431 D CA 1.703 55.539 54.000 -0.272 0.000 0.834 431 D CB -0.262 40.486 40.800 -0.087 0.000 0.955 431 D HN 0.595 nan 8.370 nan 0.000 0.465 432 D N 0.018 120.286 120.400 -0.219 0.000 2.097 432 D HA -0.163 4.476 4.640 -0.001 0.000 0.195 432 D C 1.841 178.007 176.300 -0.222 0.000 0.989 432 D CA 0.890 54.786 54.000 -0.173 0.000 0.827 432 D CB -0.373 40.345 40.800 -0.136 0.000 0.966 432 D HN 0.482 nan 8.370 nan 0.000 0.456 433 E N -0.430 119.594 120.200 -0.293 0.000 2.106 433 E HA -0.174 4.175 4.350 -0.001 0.000 0.192 433 E C 1.867 178.252 176.600 -0.359 0.000 0.984 433 E CA 0.827 57.051 56.400 -0.293 0.000 0.806 433 E CB 0.027 29.548 29.700 -0.298 0.000 0.750 433 E HN 0.504 nan 8.360 nan 0.000 0.458 434 H N -0.619 118.135 119.070 -0.527 0.000 2.321 434 H HA -0.109 4.446 4.556 -0.001 0.000 0.300 434 H C 2.275 176.843 175.328 -1.266 0.000 1.087 434 H CA 1.022 56.520 56.048 -0.917 0.000 1.319 434 H CB 0.247 29.535 29.762 -0.791 0.000 1.379 434 H HN 0.124 nan 8.280 nan 0.000 0.501 435 Q N 0.756 120.234 119.800 -0.538 0.000 2.096 435 Q HA -0.130 4.210 4.340 -0.001 0.000 0.204 435 Q C 2.319 178.188 176.000 -0.218 0.000 0.982 435 Q CA 1.206 56.836 55.803 -0.288 0.000 0.850 435 Q CB -0.258 28.436 28.738 -0.072 0.000 0.901 435 Q HN 0.513 nan 8.270 nan 0.000 0.422 436 R N 0.388 120.764 120.500 -0.207 0.000 2.073 436 R HA -0.094 4.246 4.340 -0.001 0.000 0.234 436 R C 2.460 178.693 176.300 -0.111 0.000 1.134 436 R CA 1.817 57.844 56.100 -0.121 0.000 0.952 436 R CB -0.473 29.762 30.300 -0.108 0.000 0.850 436 R HN 0.414 nan 8.270 nan 0.000 0.433 437 M N -1.136 118.343 119.600 -0.200 0.000 2.296 437 M HA -0.022 4.457 4.480 -0.001 0.000 0.265 437 M C 1.262 177.566 176.300 0.006 0.000 1.064 437 M CA 1.574 56.810 55.300 -0.108 0.000 1.109 437 M CB -0.418 32.116 32.600 -0.110 0.000 1.396 437 M HN -0.099 nan 8.290 nan 0.000 0.430 438 F N 2.089 122.029 119.950 -0.018 0.000 2.113 438 F HA 0.064 4.591 4.527 -0.001 0.000 0.297 438 F C 2.985 178.759 175.800 -0.042 0.000 1.103 438 F CA 0.918 58.894 58.000 -0.041 0.000 1.248 438 F CB -1.520 37.464 39.000 -0.028 0.000 0.999 438 F HN 0.233 nan 8.300 nan 0.000 0.475 439 A N 0.283 123.197 122.820 0.157 0.000 1.902 439 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 439 A C 2.375 179.994 177.584 0.057 0.000 1.181 439 A CA 1.625 53.711 52.037 0.082 0.000 0.623 439 A CB -0.701 18.330 19.000 0.053 0.000 0.818 439 A HN 0.306 nan 8.150 nan 0.000 0.443 440 R N -0.502 120.032 120.500 0.058 0.000 2.073 440 R HA -0.047 4.293 4.340 -0.001 0.000 0.234 440 R C 2.023 178.371 176.300 0.081 0.000 1.134 440 R CA 1.690 57.832 56.100 0.070 0.000 0.952 440 R CB -0.499 29.846 30.300 0.076 0.000 0.850 440 R HN 0.572 nan 8.270 nan 0.000 0.433 441 I N 0.546 121.155 120.570 0.064 0.000 2.226 441 I HA -0.258 3.912 4.170 -0.001 0.000 0.245 441 I C 2.623 178.672 176.117 -0.114 0.000 1.100 441 I CA 1.191 62.481 61.300 -0.017 0.000 1.374 441 I CB -0.477 37.470 38.000 -0.089 0.000 1.057 441 I HN 0.219 nan 8.210 nan 0.000 0.413 442 A N 1.122 123.907 122.820 -0.058 0.000 1.908 442 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 442 A C 2.453 180.007 177.584 -0.049 0.000 1.181 442 A CA 2.047 54.043 52.037 -0.067 0.000 0.627 442 A CB -1.551 17.437 19.000 -0.020 0.000 0.818 442 A HN 0.475 nan 8.150 nan 0.000 0.445 443 G N -0.828 107.970 108.800 -0.003 0.000 2.475 443 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.220 443 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.220 443 G C 1.468 176.388 174.900 0.033 0.000 1.125 443 G CA 1.189 46.302 45.100 0.022 0.000 0.755 443 G HN 0.694 nan 8.290 nan 0.000 0.565 444 E N -0.787 119.435 120.200 0.037 0.000 2.079 444 E HA 0.105 4.454 4.350 -0.001 0.000 0.191 444 E C 2.297 178.859 176.600 -0.063 0.000 0.961 444 E CA -0.056 56.410 56.400 0.109 0.000 0.823 444 E CB -0.207 29.730 29.700 0.396 0.000 0.789 444 E HN 0.244 nan 8.360 nan 0.000 0.459 445 L N 1.881 122.857 121.223 -0.412 0.000 2.187 445 L HA -0.163 4.176 4.340 -0.001 0.000 0.213 445 L C 2.293 179.045 176.870 -0.196 0.000 1.100 445 L CA 1.879 56.395 54.840 -0.541 0.000 0.765 445 L CB -0.543 41.093 42.059 -0.705 0.000 0.904 445 L HN 0.083 nan 8.230 nan 0.000 0.437 446 S N -1.803 113.825 115.700 -0.120 0.000 2.442 446 S HA -0.226 4.243 4.470 -0.001 0.000 0.236 446 S C 1.746 176.332 174.600 -0.023 0.000 1.007 446 S CA 1.022 59.187 58.200 -0.059 0.000 0.965 446 S CB -0.574 62.602 63.200 -0.041 0.000 0.773 446 S HN 0.683 nan 8.310 nan 0.000 0.504 447 Q N 0.969 120.768 119.800 -0.003 0.000 2.435 447 Q HA 0.352 4.692 4.340 -0.001 0.000 0.207 447 Q C 1.015 177.037 176.000 0.038 0.000 0.956 447 Q CA 0.540 56.356 55.803 0.022 0.000 0.917 447 Q CB -0.173 28.591 28.738 0.042 0.000 0.997 447 Q HN 0.754 nan 8.270 nan 0.000 0.497 448 A N 1.187 124.038 122.820 0.051 0.000 2.259 448 A HA 0.389 4.708 4.320 -0.001 0.000 0.278 448 A C 0.409 178.024 177.584 0.051 0.000 1.107 448 A CA -0.456 51.632 52.037 0.085 0.000 0.828 448 A CB 0.421 19.504 19.000 0.139 0.000 1.111 448 A HN 0.283 nan 8.150 nan 0.000 0.498 449 S N -0.302 115.437 115.700 0.066 0.000 2.589 449 S HA 0.129 4.598 4.470 -0.001 0.000 0.265 449 S C 0.869 175.487 174.600 0.029 0.000 1.342 449 S CA 0.247 58.475 58.200 0.047 0.000 1.005 449 S CB 0.593 63.830 63.200 0.060 0.000 0.909 449 S HN 0.631 nan 8.310 nan 0.000 0.555 450 K N 0.849 121.260 120.400 0.018 0.000 2.097 450 K HA -0.079 4.240 4.320 -0.001 0.000 0.206 450 K C 2.159 178.762 176.600 0.005 0.000 1.049 450 K CA 1.852 58.143 56.287 0.006 0.000 0.933 450 K CB -0.574 31.929 32.500 0.004 0.000 0.717 450 K HN 0.853 nan 8.250 nan 0.000 0.442 451 E N -0.816 119.393 120.200 0.014 0.000 2.051 451 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 451 E C 1.374 177.974 176.600 -0.000 0.000 0.991 451 E CA 1.695 58.102 56.400 0.010 0.000 0.799 451 E CB 0.005 29.720 29.700 0.025 0.000 0.748 451 E HN 0.258 nan 8.360 nan 0.000 0.449 452 T N 0.917 115.481 114.554 0.015 0.000 2.777 452 T HA -0.146 4.204 4.350 -0.001 0.000 0.266 452 T C 1.846 176.551 174.700 0.008 0.000 1.040 452 T CA 1.379 63.489 62.100 0.016 0.000 1.141 452 T CB -0.149 68.768 68.868 0.082 0.000 0.868 452 T HN 0.271 nan 8.240 nan 0.000 0.444 453 Q N 0.449 120.249 119.800 0.000 0.000 2.084 453 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 453 Q C 2.509 178.491 176.000 -0.030 0.000 0.978 453 Q CA 1.378 57.164 55.803 -0.028 0.000 0.844 453 Q CB -0.194 28.523 28.738 -0.035 0.000 0.898 453 Q HN 0.325 nan 8.270 nan 0.000 0.426 454 Q N 1.118 120.902 119.800 -0.027 0.000 2.020 454 Q HA -0.159 4.181 4.340 -0.001 0.000 0.202 454 Q C 1.900 177.874 176.000 -0.043 0.000 0.982 454 Q CA 1.680 57.464 55.803 -0.031 0.000 0.838 454 Q CB -0.169 28.555 28.738 -0.024 0.000 0.899 454 Q HN 0.202 nan 8.270 nan 0.000 0.423 455 R N -0.576 119.895 120.500 -0.050 0.000 2.083 455 R HA -0.231 4.109 4.340 -0.001 0.000 0.237 455 R C 2.243 178.484 176.300 -0.098 0.000 1.137 455 R CA 1.925 57.981 56.100 -0.073 0.000 0.951 455 R CB -0.178 30.061 30.300 -0.103 0.000 0.851 455 R HN 0.279 nan 8.270 nan 0.000 0.434 456 Q N 0.679 120.425 119.800 -0.090 0.000 2.046 456 Q HA -0.087 4.253 4.340 -0.001 0.000 0.200 456 Q C 1.950 177.836 176.000 -0.191 0.000 0.975 456 Q CA 1.730 57.437 55.803 -0.160 0.000 0.836 456 Q CB -0.190 28.515 28.738 -0.055 0.000 0.896 456 Q HN 0.454 nan 8.270 nan 0.000 0.428 457 I N 0.683 121.233 120.570 -0.032 0.000 2.208 457 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 457 I C 1.432 177.536 176.117 -0.022 0.000 1.097 457 I CA 1.423 62.752 61.300 0.048 0.000 1.363 457 I CB -0.302 37.701 38.000 0.004 0.000 1.051 457 I HN 0.240 nan 8.210 nan 0.000 0.413 458 D N 0.438 120.796 120.400 -0.069 0.000 2.144 458 D HA -0.137 4.502 4.640 -0.001 0.000 0.199 458 D C 2.093 178.316 176.300 -0.128 0.000 0.984 458 D CA 1.050 54.997 54.000 -0.087 0.000 0.834 458 D CB -0.153 40.602 40.800 -0.075 0.000 0.955 458 D HN 0.145 nan 8.370 nan 0.000 0.465 459 L N -0.099 121.025 121.223 -0.165 0.000 2.017 459 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 459 L C 2.131 178.880 176.870 -0.201 0.000 1.073 459 L CA 1.271 56.009 54.840 -0.169 0.000 0.745 459 L CB -0.781 41.119 42.059 -0.266 0.000 0.894 459 L HN -0.028 nan 8.230 nan 0.000 0.432 460 F N -0.522 119.301 119.950 -0.210 0.000 2.171 460 F HA -0.189 4.338 4.527 -0.001 0.000 0.300 460 F C 2.541 178.159 175.800 -0.304 0.000 1.090 460 F CA 1.482 59.215 58.000 -0.444 0.000 1.293 460 F CB -1.553 37.067 39.000 -0.634 0.000 1.013 460 F HN 0.039 nan 8.300 nan 0.000 0.486 461 T N -0.175 114.355 114.554 -0.041 0.000 2.720 461 T HA -0.201 4.149 4.350 -0.001 0.000 0.268 461 T C 1.961 176.574 174.700 -0.145 0.000 1.037 461 T CA 1.373 63.429 62.100 -0.073 0.000 1.144 461 T CB -0.230 68.588 68.868 -0.085 0.000 0.864 461 T HN 0.219 nan 8.240 nan 0.000 0.444 462 K N 0.511 120.750 120.400 -0.269 0.000 2.209 462 K HA -0.013 4.306 4.320 -0.001 0.000 0.204 462 K C 2.187 178.557 176.600 -0.383 0.000 1.048 462 K CA 0.685 56.651 56.287 -0.536 0.000 0.940 462 K CB -0.170 31.636 32.500 -1.157 0.000 0.729 462 K HN 0.206 nan 8.250 nan 0.000 0.451 463 V N -0.432 119.435 119.914 -0.078 0.000 2.346 463 V HA -0.125 3.995 4.120 -0.001 0.000 0.244 463 V C 0.421 176.595 176.094 0.133 0.000 1.037 463 V CA 1.203 63.603 62.300 0.166 0.000 1.029 463 V CB -0.379 31.616 31.823 0.287 0.000 0.663 463 V HN 0.362 nan 8.190 nan 0.000 0.454 464 H N -1.363 117.673 119.070 -0.057 0.000 3.156 464 H HA 0.203 4.758 4.556 -0.001 0.000 0.319 464 H C -2.367 172.904 175.328 -0.095 0.000 1.067 464 H CA -0.903 55.083 56.048 -0.103 0.000 1.417 464 H CB 2.230 31.833 29.762 -0.266 0.000 2.050 464 H HN -0.187 nan 8.280 nan 0.000 0.473 465 P HA -0.197 nan 4.420 nan 0.000 0.217 465 P C 0.951 178.313 177.300 0.103 0.000 1.148 465 P CA 1.327 64.440 63.100 0.021 0.000 0.828 465 P CB 0.496 32.170 31.700 -0.044 0.000 0.783 466 E N -1.776 118.613 120.200 0.315 0.000 2.106 466 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 466 E C 2.082 178.688 176.600 0.009 0.000 0.984 466 E CA 0.570 57.067 56.400 0.161 0.000 0.806 466 E CB -0.488 29.340 29.700 0.214 0.000 0.750 466 E HN 0.107 nan 8.360 nan 0.000 0.458 467 Y N 0.719 120.876 120.300 -0.239 0.000 2.070 467 Y HA -0.150 4.400 4.550 -0.001 0.000 0.280 467 Y C 2.247 177.955 175.900 -0.320 0.000 1.148 467 Y CA 1.793 59.696 58.100 -0.328 0.000 1.125 467 Y CB -0.996 37.129 38.460 -0.558 0.000 0.975 467 Y HN 0.049 nan 8.280 nan 0.000 0.492 468 G N -0.556 108.241 108.800 -0.005 0.000 2.422 468 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.218 468 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.218 468 G C 1.869 176.681 174.900 -0.146 0.000 1.146 468 G CA 1.276 46.341 45.100 -0.058 0.000 0.769 468 G HN 0.608 nan 8.290 nan 0.000 0.547 469 A N 0.952 123.676 122.820 -0.161 0.000 1.855 469 A HA 0.181 4.501 4.320 -0.001 0.000 0.215 469 A C 2.750 180.126 177.584 -0.348 0.000 1.191 469 A CA 2.065 53.990 52.037 -0.186 0.000 0.613 469 A CB -1.178 17.751 19.000 -0.118 0.000 0.829 469 A HN 0.532 nan 8.150 nan 0.000 0.442 470 G N -0.570 107.824 108.800 -0.676 0.000 2.442 470 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.219 470 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.219 470 G C 1.495 175.828 174.900 -0.946 0.000 1.141 470 G CA 1.353 45.660 45.100 -1.323 0.000 0.763 470 G HN 0.332 nan 8.290 nan 0.000 0.554 471 V N 0.503 120.008 119.914 -0.681 0.000 2.358 471 V HA -0.129 3.991 4.120 -0.001 0.000 0.246 471 V C 2.549 178.522 176.094 -0.202 0.000 1.047 471 V CA 2.189 64.299 62.300 -0.316 0.000 1.035 471 V CB -0.288 31.352 31.823 -0.305 0.000 0.658 471 V HN 0.576 nan 8.190 nan 0.000 0.452 472 E N 0.346 120.432 120.200 -0.189 0.000 2.110 472 E HA -0.267 4.083 4.350 -0.001 0.000 0.193 472 E C 2.285 178.821 176.600 -0.108 0.000 0.988 472 E CA 1.509 57.837 56.400 -0.121 0.000 0.804 472 E CB -0.091 29.549 29.700 -0.100 0.000 0.745 472 E HN 0.553 nan 8.360 nan 0.000 0.458 473 K N 0.066 120.384 120.400 -0.137 0.000 2.002 473 K HA -0.150 4.169 4.320 -0.001 0.000 0.209 473 K C 2.110 178.674 176.600 -0.060 0.000 1.048 473 K CA 1.257 57.489 56.287 -0.093 0.000 0.930 473 K CB -0.263 32.175 32.500 -0.103 0.000 0.714 473 K HN 0.164 nan 8.250 nan 0.000 0.438 474 A N 1.383 124.167 122.820 -0.059 0.000 1.948 474 A HA -0.178 4.142 4.320 -0.001 0.000 0.220 474 A C 2.094 179.665 177.584 -0.020 0.000 1.177 474 A CA 1.662 53.694 52.037 -0.008 0.000 0.636 474 A CB -0.654 18.371 19.000 0.042 0.000 0.815 474 A HN 0.400 nan 8.150 nan 0.000 0.449 475 I N -1.114 119.429 120.570 -0.045 0.000 2.315 475 I HA -0.226 3.943 4.170 -0.001 0.000 0.248 475 I C 2.538 178.636 176.117 -0.032 0.000 1.117 475 I CA 1.703 62.977 61.300 -0.044 0.000 1.404 475 I CB -0.239 37.724 38.000 -0.061 0.000 1.071 475 I HN 0.336 nan 8.210 nan 0.000 0.419 476 K N 0.636 121.016 120.400 -0.033 0.000 2.148 476 K HA -0.108 4.211 4.320 -0.001 0.000 0.204 476 K C 2.031 178.621 176.600 -0.016 0.000 1.050 476 K CA 0.887 57.158 56.287 -0.025 0.000 0.942 476 K CB 0.174 32.657 32.500 -0.028 0.000 0.724 476 K HN 0.092 nan 8.250 nan 0.000 0.446 477 V N 1.373 121.279 119.914 -0.013 0.000 2.358 477 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 477 V C 2.178 178.270 176.094 -0.003 0.000 1.047 477 V CA 1.480 63.778 62.300 -0.004 0.000 1.035 477 V CB -0.284 31.541 31.823 0.004 0.000 0.658 477 V HN 0.322 nan 8.190 nan 0.000 0.452 478 L N -0.617 120.604 121.223 -0.004 0.000 2.093 478 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 478 L C 1.644 178.511 176.870 -0.005 0.000 1.085 478 L CA 1.110 55.948 54.840 -0.003 0.000 0.755 478 L CB -0.054 42.002 42.059 -0.005 0.000 0.904 478 L HN 0.434 nan 8.230 nan 0.000 0.435 479 E N 0.000 120.194 120.200 -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 56.394 56.400 -0.009 0.000 0.976 479 E CB 0.000 29.692 29.700 -0.013 0.000 0.812 479 E HN 0.000 nan 8.360 nan 0.000 0.440