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 3h7f_1_B DATA FIRST_RESID -1 DATA SEQUENCE GSMSAPLAEV DPDIAELLAK ELGRQRDTLE MIASENFVPR AVLQAQGSVL DATA SEQUENCE TNKYAEGLPG RRYYGGCEHV DVVENLARDR AKALFGAEFA NVQPHSGAQA DATA SEQUENCE NAAVLHALMS PGERLLGLDL ANGGHLTHGM RLNFSGKLYE NGFYGVDPAT DATA SEQUENCE HLIDMDAVRA TALEFRPKVI IAGWSAYPRV LDFAAFRSIA DEVGAKLLVD DATA SEQUENCE MAHFAGLVAA GLHPSPVPHA DVVSTTVHXT LGGGRSGLIV GKQQYAKAIN DATA SEQUENCE SAVFPGQQGG PLMHVIAGKA VALKIAATPE FADRQRRTLS GARIIADRLM DATA SEQUENCE APDVAKAGVS VVSGGTDVHL VLVDLRDSPL DGQAAEDLLH EVGITVNRNA DATA SEQUENCE VPNDPRPPMV TSGLRIGTPA LATRGFGDTE FTEVADIIAT ALATGSSVDV DATA SEQUENCE SALKDRATRL ARAFPLYDGL EEWSLVGR 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 -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 -1 G C 0.000 174.897 174.900 -0.004 0.000 0.946 -1 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 0 S N 0.952 116.649 115.700 -0.005 0.000 2.507 0 S HA -0.071 4.400 4.470 0.002 0.000 0.235 0 S C 2.153 176.749 174.600 -0.008 0.000 0.988 0 S CA 0.870 59.066 58.200 -0.006 0.000 0.944 0 S CB -0.148 63.048 63.200 -0.006 0.000 0.762 0 S HN 0.426 nan 8.310 nan 0.000 0.526 1 M N 2.500 122.095 119.600 -0.008 0.000 2.279 1 M HA -0.014 4.467 4.480 0.002 0.000 0.264 1 M C 2.012 178.306 176.300 -0.010 0.000 1.062 1 M CA 1.602 56.896 55.300 -0.010 0.000 1.099 1 M CB -1.260 31.334 32.600 -0.009 0.000 1.394 1 M HN 0.688 nan 8.290 nan 0.000 0.426 2 S N -1.734 113.961 115.700 -0.008 0.000 2.629 2 S HA 0.473 4.944 4.470 0.002 0.000 0.236 2 S C 0.615 175.211 174.600 -0.006 0.000 1.010 2 S CA -0.335 57.860 58.200 -0.007 0.000 0.981 2 S CB 0.055 63.251 63.200 -0.006 0.000 0.919 2 S HN 0.245 nan 8.310 nan 0.000 0.514 3 A N 3.581 126.397 122.820 -0.007 0.000 2.354 3 A HA 0.676 4.997 4.320 0.002 0.000 0.269 3 A C -2.205 175.375 177.584 -0.007 0.000 1.109 3 A CA -1.557 50.477 52.037 -0.006 0.000 0.800 3 A CB -0.146 18.850 19.000 -0.006 0.000 1.045 3 A HN 0.391 nan 8.150 nan 0.000 0.489 4 P HA 0.067 nan 4.420 nan 0.000 0.272 4 P C 0.909 178.204 177.300 -0.008 0.000 1.223 4 P CA -0.483 62.612 63.100 -0.007 0.000 0.784 4 P CB 0.688 32.384 31.700 -0.007 0.000 0.923 5 L N 3.035 124.253 121.223 -0.009 0.000 2.081 5 L HA -0.231 4.110 4.340 0.002 0.000 0.212 5 L C 2.334 179.198 176.870 -0.010 0.000 1.080 5 L CA 2.574 57.408 54.840 -0.010 0.000 0.754 5 L CB -1.521 40.531 42.059 -0.011 0.000 0.893 5 L HN 0.505 nan 8.230 nan 0.000 0.433 6 A N -1.213 121.601 122.820 -0.010 0.000 2.019 6 A HA -0.211 4.110 4.320 0.002 0.000 0.219 6 A C 2.164 179.743 177.584 -0.008 0.000 1.164 6 A CA 1.920 53.950 52.037 -0.010 0.000 0.644 6 A CB -0.475 18.518 19.000 -0.011 0.000 0.805 6 A HN 0.674 nan 8.150 nan 0.000 0.449 7 E N -0.786 119.409 120.200 -0.008 0.000 2.075 7 E HA -0.021 4.330 4.350 0.002 0.000 0.190 7 E C 1.954 178.550 176.600 -0.006 0.000 0.969 7 E CA 0.845 57.241 56.400 -0.006 0.000 0.815 7 E CB -0.106 29.591 29.700 -0.006 0.000 0.776 7 E HN 0.358 nan 8.360 nan 0.000 0.457 8 V N 1.212 121.122 119.914 -0.007 0.000 2.427 8 V HA -0.134 3.987 4.120 0.002 0.000 0.248 8 V C 0.794 176.884 176.094 -0.006 0.000 1.051 8 V CA 1.371 63.667 62.300 -0.007 0.000 1.048 8 V CB -0.041 31.778 31.823 -0.008 0.000 0.666 8 V HN 0.197 nan 8.190 nan 0.000 0.456 9 D N -1.708 118.688 120.400 -0.007 0.000 2.586 9 D HA 0.226 4.867 4.640 0.002 0.000 0.254 9 D C -2.139 174.157 176.300 -0.006 0.000 1.248 9 D CA -1.404 52.592 54.000 -0.006 0.000 0.843 9 D CB 1.561 42.357 40.800 -0.007 0.000 1.332 9 D HN 0.097 nan 8.370 nan 0.000 0.523 10 P HA -0.072 nan 4.420 nan 0.000 0.218 10 P C 0.917 178.214 177.300 -0.005 0.000 1.148 10 P CA 0.815 63.911 63.100 -0.006 0.000 0.822 10 P CB 0.635 32.331 31.700 -0.005 0.000 0.784 11 D N -0.678 119.719 120.400 -0.004 0.000 2.097 11 D HA -0.128 4.513 4.640 0.002 0.000 0.195 11 D C 1.991 178.289 176.300 -0.003 0.000 0.989 11 D CA 0.939 54.937 54.000 -0.003 0.000 0.827 11 D CB -0.629 40.170 40.800 -0.002 0.000 0.966 11 D HN 0.075 nan 8.370 nan 0.000 0.456 12 I N 0.984 121.552 120.570 -0.004 0.000 2.252 12 I HA -0.173 3.998 4.170 0.002 0.000 0.245 12 I C 2.401 178.514 176.117 -0.007 0.000 1.102 12 I CA 0.681 61.978 61.300 -0.005 0.000 1.385 12 I CB -1.088 36.908 38.000 -0.005 0.000 1.064 12 I HN -0.103 nan 8.210 nan 0.000 0.414 13 A N 0.446 123.261 122.820 -0.009 0.000 1.908 13 A HA -0.262 4.059 4.320 0.002 0.000 0.218 13 A C 2.362 179.939 177.584 -0.012 0.000 1.181 13 A CA 1.940 53.970 52.037 -0.012 0.000 0.627 13 A CB -0.708 18.284 19.000 -0.012 0.000 0.818 13 A HN 0.513 nan 8.150 nan 0.000 0.445 14 E N -0.264 119.931 120.200 -0.008 0.000 2.077 14 E HA -0.172 4.179 4.350 0.002 0.000 0.193 14 E C 1.915 178.512 176.600 -0.004 0.000 0.989 14 E CA 1.171 57.567 56.400 -0.007 0.000 0.800 14 E CB -0.193 29.504 29.700 -0.004 0.000 0.746 14 E HN 0.638 nan 8.360 nan 0.000 0.452 15 L N 0.313 121.535 121.223 -0.002 0.000 2.093 15 L HA -0.180 4.161 4.340 0.002 0.000 0.208 15 L C 2.436 179.307 176.870 0.001 0.000 1.085 15 L CA 0.285 55.126 54.840 0.002 0.000 0.755 15 L CB -0.227 41.834 42.059 0.003 0.000 0.904 15 L HN 0.205 nan 8.230 nan 0.000 0.435 16 L N -0.137 121.083 121.223 -0.005 0.000 2.042 16 L HA -0.192 4.149 4.340 0.002 0.000 0.210 16 L C 2.733 179.594 176.870 -0.014 0.000 1.076 16 L CA 2.064 56.897 54.840 -0.011 0.000 0.749 16 L CB -1.054 40.994 42.059 -0.019 0.000 0.893 16 L HN 0.192 nan 8.230 nan 0.000 0.432 17 A N -1.021 121.789 122.820 -0.017 0.000 1.898 17 A HA -0.211 4.110 4.320 0.002 0.000 0.216 17 A C 2.338 179.918 177.584 -0.007 0.000 1.181 17 A CA 1.602 53.627 52.037 -0.019 0.000 0.620 17 A CB -0.384 18.603 19.000 -0.022 0.000 0.819 17 A HN 0.374 nan 8.150 nan 0.000 0.442 18 K N -0.656 119.744 120.400 0.001 0.000 2.057 18 K HA -0.186 4.135 4.320 0.002 0.000 0.207 18 K C 2.112 178.725 176.600 0.022 0.000 1.049 18 K CA 1.559 57.852 56.287 0.011 0.000 0.931 18 K CB -0.089 32.419 32.500 0.013 0.000 0.714 18 K HN 0.494 nan 8.250 nan 0.000 0.440 19 E N 1.397 121.610 120.200 0.023 0.000 2.072 19 E HA -0.178 4.173 4.350 0.002 0.000 0.191 19 E C 1.810 178.441 176.600 0.051 0.000 0.985 19 E CA 0.771 57.195 56.400 0.040 0.000 0.801 19 E CB -0.210 29.512 29.700 0.037 0.000 0.750 19 E HN 0.128 nan 8.360 nan 0.000 0.452 20 L N 0.140 121.381 121.223 0.030 0.000 2.012 20 L HA -0.018 4.323 4.340 0.002 0.000 0.210 20 L C 2.222 179.116 176.870 0.039 0.000 1.073 20 L CA 2.564 57.423 54.840 0.032 0.000 0.748 20 L CB -1.178 40.870 42.059 -0.018 0.000 0.891 20 L HN 0.249 nan 8.230 nan 0.000 0.431 21 G N -0.894 107.919 108.800 0.022 0.000 2.442 21 G HA2 -0.316 3.645 3.960 0.002 0.000 0.219 21 G HA3 -0.316 3.645 3.960 0.002 0.000 0.219 21 G C 1.821 176.741 174.900 0.034 0.000 1.141 21 G CA 0.786 45.898 45.100 0.020 0.000 0.763 21 G HN 0.429 nan 8.290 nan 0.000 0.554 22 R N 0.108 120.637 120.500 0.048 0.000 2.081 22 R HA -0.072 4.269 4.340 0.002 0.000 0.235 22 R C 2.689 179.040 176.300 0.085 0.000 1.131 22 R CA 1.628 57.766 56.100 0.063 0.000 0.960 22 R CB -0.310 30.033 30.300 0.071 0.000 0.856 22 R HN 0.455 nan 8.270 nan 0.000 0.436 23 Q N -0.268 119.600 119.800 0.112 0.000 2.084 23 Q HA -0.163 4.178 4.340 0.002 0.000 0.202 23 Q C 2.242 178.284 176.000 0.070 0.000 0.978 23 Q CA 1.564 57.466 55.803 0.166 0.000 0.844 23 Q CB -0.061 28.827 28.738 0.250 0.000 0.898 23 Q HN 0.341 nan 8.270 nan 0.000 0.426 24 R N 0.371 120.888 120.500 0.029 0.000 2.092 24 R HA -0.114 4.227 4.340 0.002 0.000 0.231 24 R C 1.352 177.656 176.300 0.007 0.000 1.119 24 R CA 1.320 57.411 56.100 -0.015 0.000 0.970 24 R CB 0.051 30.347 30.300 -0.007 0.000 0.864 24 R HN 0.233 nan 8.270 nan 0.000 0.440 25 D N -0.360 120.055 120.400 0.025 0.000 2.333 25 D HA -0.032 4.609 4.640 0.002 0.000 0.208 25 D C 0.669 176.985 176.300 0.028 0.000 0.984 25 D CA 0.786 54.800 54.000 0.023 0.000 0.873 25 D CB 0.193 41.003 40.800 0.016 0.000 0.935 25 D HN 0.262 nan 8.370 nan 0.000 0.521 26 T N -1.536 113.043 114.554 0.042 0.000 2.934 26 T HA 0.566 4.917 4.350 0.002 0.000 0.283 26 T C 0.255 174.991 174.700 0.059 0.000 1.005 26 T CA -0.851 61.274 62.100 0.042 0.000 1.041 26 T CB 1.550 70.449 68.868 0.053 0.000 1.042 26 T HN -0.133 nan 8.240 nan 0.000 0.505 27 L N 1.869 123.121 121.223 0.049 0.000 2.259 27 L HA 0.421 4.762 4.340 0.002 0.000 0.288 27 L C 0.255 177.153 176.870 0.047 0.000 1.051 27 L CA -0.795 54.067 54.840 0.036 0.000 0.824 27 L CB 0.838 42.925 42.059 0.046 0.000 1.206 27 L HN 0.736 nan 8.230 nan 0.000 0.429 28 E N 4.245 124.484 120.200 0.065 0.000 2.180 28 E HA 0.212 4.563 4.350 0.002 0.000 0.283 28 E C -0.012 176.599 176.600 0.018 0.000 1.061 28 E CA 0.344 56.776 56.400 0.054 0.000 0.861 28 E CB 0.781 30.515 29.700 0.057 0.000 1.056 28 E HN 0.490 nan 8.360 nan 0.000 0.407 29 M N 4.978 124.600 119.600 0.037 0.000 2.603 29 M HA 0.285 4.766 4.480 0.002 0.000 0.380 29 M C -0.377 175.957 176.300 0.056 0.000 1.158 29 M CA -0.300 55.031 55.300 0.052 0.000 0.921 29 M CB 0.420 33.062 32.600 0.071 0.000 1.417 29 M HN 0.376 nan 8.290 nan 0.000 0.523 30 I N 1.277 121.875 120.570 0.047 0.000 2.505 30 I HA 0.071 4.242 4.170 0.002 0.000 0.287 30 I C 1.522 177.692 176.117 0.089 0.000 1.104 30 I CA -0.190 61.148 61.300 0.064 0.000 1.387 30 I CB 1.294 39.327 38.000 0.054 0.000 1.404 30 I HN 0.333 nan 8.210 nan 0.000 0.528 31 A N 4.495 127.405 122.820 0.150 0.000 2.076 31 A HA -0.158 4.163 4.320 0.002 0.000 0.220 31 A C 2.138 179.899 177.584 0.295 0.000 1.160 31 A CA 1.867 54.058 52.037 0.256 0.000 0.653 31 A CB -0.434 18.735 19.000 0.282 0.000 0.801 31 A HN 0.797 nan 8.150 nan 0.000 0.455 32 S N -0.958 114.864 115.700 0.202 0.000 2.593 32 S HA 0.170 4.641 4.470 0.002 0.000 0.217 32 S C 0.409 175.000 174.600 -0.015 0.000 0.966 32 S CA -0.279 57.929 58.200 0.015 0.000 0.914 32 S CB 0.069 63.310 63.200 0.069 0.000 0.776 32 S HN 0.608 nan 8.310 nan 0.000 0.523 33 E N 1.099 121.290 120.200 -0.016 0.000 2.232 33 E HA 0.538 4.889 4.350 0.002 0.000 0.265 33 E C -0.620 175.870 176.600 -0.183 0.000 1.001 33 E CA -0.718 55.627 56.400 -0.092 0.000 0.870 33 E CB 0.912 30.544 29.700 -0.113 0.000 1.175 33 E HN 0.172 nan 8.360 nan 0.000 0.407 34 N N 0.055 118.580 118.700 -0.292 0.000 3.308 34 N HA 0.350 5.091 4.740 0.002 0.000 0.276 34 N C -1.956 173.236 175.510 -0.530 0.000 1.533 34 N CA -0.514 52.317 53.050 -0.364 0.000 0.878 34 N CB 0.904 39.326 38.487 -0.109 0.000 1.566 34 N HN 0.204 nan 8.380 nan 0.000 0.546 35 F N 1.040 121.032 119.950 0.070 0.000 2.507 35 F HA 0.357 4.885 4.527 0.001 0.000 0.328 35 F C 0.520 176.413 175.800 0.155 0.000 1.136 35 F CA -0.904 57.164 58.000 0.112 0.000 0.930 35 F CB 1.289 40.285 39.000 -0.007 0.000 1.166 35 F HN 0.162 nan 8.300 nan 0.000 0.436 36 V N 2.163 122.309 119.914 0.386 0.000 2.811 36 V HA 0.500 4.621 4.120 0.002 0.000 0.302 36 V C -2.127 174.180 176.094 0.356 0.000 1.063 36 V CA -1.436 61.038 62.300 0.290 0.000 1.088 36 V CB 0.262 32.209 31.823 0.206 0.000 0.982 36 V HN 0.583 nan 8.190 nan 0.000 0.485 37 P HA 0.202 nan 4.420 nan 0.000 0.274 37 P C 0.667 178.085 177.300 0.196 0.000 1.246 37 P CA -0.519 62.712 63.100 0.218 0.000 0.795 37 P CB 0.931 32.703 31.700 0.121 0.000 1.006 38 R N 1.531 122.110 120.500 0.132 0.000 2.113 38 R HA -0.237 4.104 4.340 0.002 0.000 0.244 38 R C 2.023 178.301 176.300 -0.035 0.000 1.142 38 R CA 2.398 58.487 56.100 -0.019 0.000 0.953 38 R CB -1.087 28.919 30.300 -0.491 0.000 0.860 38 R HN 0.563 nan 8.270 nan 0.000 0.438 39 A N 0.054 122.845 122.820 -0.049 0.000 1.978 39 A HA -0.101 4.220 4.320 0.002 0.000 0.220 39 A C 2.263 179.847 177.584 -0.000 0.000 1.170 39 A CA 1.659 53.674 52.037 -0.038 0.000 0.636 39 A CB -0.359 18.617 19.000 -0.041 0.000 0.810 39 A HN 0.268 nan 8.150 nan 0.000 0.448 40 V N 0.011 119.943 119.914 0.029 0.000 2.453 40 V HA -0.202 3.919 4.120 0.002 0.000 0.247 40 V C 2.512 178.632 176.094 0.043 0.000 1.048 40 V CA 1.652 63.975 62.300 0.038 0.000 1.049 40 V CB -0.724 31.133 31.823 0.057 0.000 0.672 40 V HN 0.576 nan 8.190 nan 0.000 0.457 41 L N -0.379 120.879 121.223 0.058 0.000 2.013 41 L HA -0.302 4.039 4.340 0.002 0.000 0.212 41 L C 2.675 179.570 176.870 0.041 0.000 1.073 41 L CA 1.930 56.800 54.840 0.050 0.000 0.753 41 L CB -0.755 41.340 42.059 0.061 0.000 0.890 41 L HN 0.362 nan 8.230 nan 0.000 0.432 42 Q N -0.354 119.465 119.800 0.031 0.000 2.084 42 Q HA -0.181 4.160 4.340 0.002 0.000 0.202 42 Q C 2.488 178.502 176.000 0.023 0.000 0.978 42 Q CA 1.525 57.340 55.803 0.021 0.000 0.844 42 Q CB -0.296 28.440 28.738 -0.003 0.000 0.898 42 Q HN 0.581 nan 8.270 nan 0.000 0.426 43 A N 1.181 124.014 122.820 0.022 0.000 1.877 43 A HA -0.245 4.076 4.320 0.002 0.000 0.216 43 A C 1.979 179.602 177.584 0.064 0.000 1.186 43 A CA 1.454 53.510 52.037 0.031 0.000 0.620 43 A CB -0.485 18.526 19.000 0.018 0.000 0.822 43 A HN 0.341 nan 8.150 nan 0.000 0.443 44 Q N -1.024 118.812 119.800 0.059 0.000 2.224 44 Q HA -0.083 4.258 4.340 0.002 0.000 0.203 44 Q C 1.724 177.804 176.000 0.134 0.000 0.970 44 Q CA 0.955 56.816 55.803 0.097 0.000 0.865 44 Q CB -0.283 28.484 28.738 0.048 0.000 0.922 44 Q HN 0.663 nan 8.270 nan 0.000 0.445 45 G N 0.999 109.840 108.800 0.069 0.000 3.262 45 G HA2 0.025 3.986 3.960 0.002 0.000 0.228 45 G HA3 0.025 3.986 3.960 0.002 0.000 0.228 45 G C 0.287 175.194 174.900 0.011 0.000 1.197 45 G CA 0.018 45.139 45.100 0.035 0.000 0.819 45 G HN 0.254 nan 8.290 nan 0.000 0.531 46 S N -0.729 114.984 115.700 0.022 0.000 2.652 46 S HA 0.282 4.753 4.470 0.002 0.000 0.270 46 S C 1.501 176.070 174.600 -0.053 0.000 1.243 46 S CA 0.016 58.214 58.200 -0.003 0.000 0.999 46 S CB 1.646 64.858 63.200 0.020 0.000 0.973 46 S HN 0.541 nan 8.310 nan 0.000 0.544 47 V N -0.367 119.518 119.914 -0.048 0.000 3.444 47 V HA 0.055 4.176 4.120 0.002 0.000 0.271 47 V C 1.605 177.652 176.094 -0.078 0.000 1.188 47 V CA 0.774 63.032 62.300 -0.070 0.000 1.168 47 V CB -1.415 30.381 31.823 -0.044 0.000 0.810 47 V HN 0.700 nan 8.190 nan 0.000 0.500 48 L N 0.924 122.117 121.223 -0.049 0.000 2.265 48 L HA -0.088 4.253 4.340 0.002 0.000 0.215 48 L C 2.768 179.586 176.870 -0.086 0.000 1.117 48 L CA 2.271 57.099 54.840 -0.019 0.000 0.782 48 L CB -1.368 40.725 42.059 0.056 0.000 0.914 48 L HN 0.519 nan 8.230 nan 0.000 0.441 49 T N -0.629 113.722 114.554 -0.338 0.000 2.822 49 T HA -0.197 4.154 4.350 0.002 0.000 0.270 49 T C 1.723 176.256 174.700 -0.279 0.000 1.064 49 T CA 1.602 63.349 62.100 -0.588 0.000 1.131 49 T CB -0.250 68.074 68.868 -0.906 0.000 0.858 49 T HN 0.381 nan 8.240 nan 0.000 0.483 50 N N 0.622 119.210 118.700 -0.186 0.000 2.494 50 N HA 0.037 4.778 4.740 0.002 0.000 0.182 50 N C 0.573 176.012 175.510 -0.119 0.000 1.076 50 N CA 0.447 53.418 53.050 -0.131 0.000 0.908 50 N CB -0.043 38.395 38.487 -0.082 0.000 0.967 50 N HN 0.343 nan 8.380 nan 0.000 0.449 51 K N 0.626 120.955 120.400 -0.119 0.000 2.248 51 K HA 0.122 4.443 4.320 0.002 0.000 0.281 51 K C -1.162 175.319 176.600 -0.199 0.000 1.054 51 K CA -0.350 55.875 56.287 -0.103 0.000 0.903 51 K CB 0.033 32.505 32.500 -0.046 0.000 1.077 51 K HN -0.129 nan 8.250 nan 0.000 0.474 52 Y N 2.391 122.528 120.300 -0.273 0.000 2.359 52 Y HA 0.347 4.898 4.550 0.002 0.000 0.334 52 Y C 0.497 176.149 175.900 -0.413 0.000 1.058 52 Y CA 0.273 58.071 58.100 -0.503 0.000 1.244 52 Y CB 1.400 39.230 38.460 -1.051 0.000 1.187 52 Y HN 0.711 nan 8.280 nan 0.000 0.510 53 A N 4.075 126.886 122.820 -0.015 0.000 2.843 53 A HA 0.248 4.569 4.320 0.002 0.000 0.248 53 A C -0.217 177.419 177.584 0.086 0.000 0.904 53 A CA -0.580 51.506 52.037 0.082 0.000 1.091 53 A CB -0.322 18.686 19.000 0.014 0.000 1.208 53 A HN 0.766 nan 8.150 nan 0.000 0.476 54 E N 0.293 120.610 120.200 0.195 0.000 2.452 54 E HA 0.373 4.724 4.350 0.002 0.000 0.261 54 E C 0.985 177.487 176.600 -0.163 0.000 0.987 54 E CA 1.346 57.624 56.400 -0.203 0.000 0.926 54 E CB 0.558 30.145 29.700 -0.189 0.000 0.934 54 E HN 1.051 nan 8.360 nan 0.000 0.452 55 G N 1.678 110.180 108.800 -0.498 0.000 2.416 55 G HA2 -0.160 3.801 3.960 0.002 0.000 0.203 55 G HA3 -0.160 3.801 3.960 0.002 0.000 0.203 55 G C -1.071 173.832 174.900 0.004 0.000 1.227 55 G CA -0.807 44.287 45.100 -0.009 0.000 1.041 55 G HN 0.407 nan 8.290 nan 0.000 0.546 56 L N 0.819 122.066 121.223 0.041 0.000 2.327 56 L HA 0.572 4.913 4.340 0.002 0.000 0.258 56 L C -2.280 174.595 176.870 0.008 0.000 1.024 56 L CA -2.182 52.675 54.840 0.029 0.000 0.825 56 L CB 2.562 44.651 42.059 0.050 0.000 1.386 56 L HN 0.372 nan 8.230 nan 0.000 0.417 57 P HA 0.004 nan 4.420 nan 0.000 0.261 57 P C 0.657 177.952 177.300 -0.010 0.000 1.173 57 P CA 1.154 64.255 63.100 0.000 0.000 0.760 57 P CB 0.432 32.136 31.700 0.007 0.000 0.783 58 G N 2.881 111.668 108.800 -0.021 0.000 2.212 58 G HA2 -0.270 3.691 3.960 0.002 0.000 0.266 58 G HA3 -0.270 3.691 3.960 0.002 0.000 0.266 58 G C 0.454 175.322 174.900 -0.053 0.000 0.978 58 G CA -0.203 44.877 45.100 -0.033 0.000 0.632 58 G HN 0.571 nan 8.290 nan 0.000 0.537 59 R N 0.096 120.559 120.500 -0.063 0.000 2.638 59 R HA 0.252 4.593 4.340 0.002 0.000 0.269 59 R C 0.215 176.415 176.300 -0.166 0.000 1.393 59 R CA -0.477 55.556 56.100 -0.113 0.000 1.531 59 R CB 0.422 30.680 30.300 -0.070 0.000 1.327 59 R HN 0.261 nan 8.270 nan 0.000 0.709 60 R N 0.012 120.418 120.500 -0.156 0.000 2.549 60 R HA 0.290 4.631 4.340 0.002 0.000 0.267 60 R C 0.433 176.569 176.300 -0.273 0.000 1.045 60 R CA -0.438 55.597 56.100 -0.108 0.000 1.115 60 R CB 0.609 30.919 30.300 0.017 0.000 1.121 60 R HN 0.203 nan 8.270 nan 0.000 0.543 61 Y N -0.255 120.025 120.300 -0.034 0.000 2.524 61 Y HA 0.225 4.776 4.550 0.002 0.000 0.266 61 Y C -0.404 175.179 175.900 -0.528 0.000 1.180 61 Y CA 0.003 57.964 58.100 -0.233 0.000 1.244 61 Y CB 0.300 38.595 38.460 -0.275 0.000 1.125 61 Y HN 0.393 nan 8.280 nan 0.000 0.524 62 Y N -1.032 119.310 120.300 0.069 0.000 2.492 62 Y HA 0.590 5.141 4.550 0.002 0.000 0.346 62 Y C 0.715 176.622 175.900 0.013 0.000 0.997 62 Y CA -1.864 56.264 58.100 0.047 0.000 1.025 62 Y CB 1.181 39.684 38.460 0.073 0.000 1.263 62 Y HN -0.053 nan 8.280 nan 0.000 0.454 63 G N -0.022 108.866 108.800 0.148 0.000 2.651 63 G HA2 0.402 4.363 3.960 0.002 0.000 0.260 63 G HA3 0.402 4.363 3.960 0.002 0.000 0.260 63 G C 0.836 175.781 174.900 0.075 0.000 1.216 63 G CA -0.058 45.087 45.100 0.075 0.000 0.913 63 G HN 1.486 nan 8.290 nan 0.000 0.535 64 G N -2.240 106.574 108.800 0.024 0.000 2.148 64 G HA2 -0.294 3.667 3.960 0.002 0.000 0.254 64 G HA3 -0.294 3.667 3.960 0.002 0.000 0.254 64 G C 0.881 175.768 174.900 -0.022 0.000 0.981 64 G CA 0.586 45.687 45.100 0.001 0.000 0.670 64 G HN 0.965 nan 8.290 nan 0.000 0.528 65 C N 1.694 120.983 119.300 -0.019 0.000 2.625 65 C HA 0.231 4.692 4.460 0.002 0.000 0.285 65 C C 2.415 177.358 174.990 -0.078 0.000 1.279 65 C CA 0.366 59.370 59.018 -0.023 0.000 1.698 65 C CB -0.737 27.012 27.740 0.015 0.000 1.821 65 C HN 0.749 nan 8.230 nan 0.000 0.600 66 E N 1.314 121.408 120.200 -0.177 0.000 2.085 66 E HA -0.259 4.092 4.350 0.002 0.000 0.194 66 E C 1.118 177.582 176.600 -0.227 0.000 0.994 66 E CA 1.693 57.946 56.400 -0.245 0.000 0.801 66 E CB -0.564 28.921 29.700 -0.358 0.000 0.743 66 E HN 0.696 nan 8.360 nan 0.000 0.453 67 H N 1.076 120.149 119.070 0.005 0.000 2.384 67 H HA 0.011 4.567 4.556 0.002 0.000 0.300 67 H C 2.613 177.942 175.328 0.002 0.000 1.057 67 H CA 1.623 57.672 56.048 0.002 0.000 1.370 67 H CB -0.455 29.307 29.762 0.000 0.000 1.417 67 H HN 0.282 nan 8.280 nan 0.000 0.527 68 V N 0.094 120.061 119.914 0.089 0.000 2.626 68 V HA -0.144 3.977 4.120 0.002 0.000 0.252 68 V C 1.561 177.672 176.094 0.030 0.000 1.067 68 V CA 1.961 64.292 62.300 0.052 0.000 1.081 68 V CB -0.270 31.573 31.823 0.035 0.000 0.686 68 V HN 0.032 nan 8.190 nan 0.000 0.468 69 D N 1.072 121.481 120.400 0.015 0.000 2.117 69 D HA -0.100 4.541 4.640 0.002 0.000 0.197 69 D C 2.268 178.578 176.300 0.016 0.000 0.987 69 D CA 1.755 55.760 54.000 0.008 0.000 0.829 69 D CB -0.382 40.414 40.800 -0.008 0.000 0.961 69 D HN 0.478 nan 8.370 nan 0.000 0.460 70 V N 0.530 120.461 119.914 0.029 0.000 2.343 70 V HA -0.196 3.925 4.120 0.002 0.000 0.247 70 V C 2.630 178.740 176.094 0.027 0.000 1.051 70 V CA 0.961 63.280 62.300 0.032 0.000 1.036 70 V CB -0.566 31.287 31.823 0.051 0.000 0.654 70 V HN 0.061 nan 8.190 nan 0.000 0.451 71 V N 0.107 120.041 119.914 0.032 0.000 2.287 71 V HA -0.330 3.791 4.120 0.002 0.000 0.248 71 V C 2.500 178.601 176.094 0.013 0.000 1.053 71 V CA 2.511 64.824 62.300 0.022 0.000 1.027 71 V CB -0.578 31.261 31.823 0.027 0.000 0.646 71 V HN 0.664 nan 8.190 nan 0.000 0.447 72 E N 0.065 120.274 120.200 0.014 0.000 2.110 72 E HA -0.240 4.111 4.350 0.002 0.000 0.193 72 E C 2.072 178.680 176.600 0.012 0.000 0.988 72 E CA 1.390 57.796 56.400 0.011 0.000 0.804 72 E CB -0.086 29.621 29.700 0.012 0.000 0.745 72 E HN 0.563 nan 8.360 nan 0.000 0.458 73 N N 0.300 119.008 118.700 0.013 0.000 2.244 73 N HA -0.110 4.631 4.740 0.002 0.000 0.183 73 N C 1.916 177.430 175.510 0.007 0.000 1.016 73 N CA 0.674 53.732 53.050 0.013 0.000 0.866 73 N CB -0.096 38.399 38.487 0.013 0.000 0.980 73 N HN 0.238 nan 8.380 nan 0.000 0.430 74 L N 0.644 121.869 121.223 0.003 0.000 2.046 74 L HA -0.121 4.220 4.340 0.002 0.000 0.208 74 L C 2.423 179.286 176.870 -0.011 0.000 1.077 74 L CA 1.189 56.026 54.840 -0.005 0.000 0.747 74 L CB -0.444 41.611 42.059 -0.008 0.000 0.896 74 L HN 0.095 nan 8.230 nan 0.000 0.432 75 A N -0.013 122.802 122.820 -0.007 0.000 1.902 75 A HA -0.193 4.128 4.320 0.002 0.000 0.217 75 A C 2.383 179.964 177.584 -0.004 0.000 1.181 75 A CA 1.405 53.436 52.037 -0.010 0.000 0.623 75 A CB -0.447 18.548 19.000 -0.008 0.000 0.818 75 A HN 0.311 nan 8.150 nan 0.000 0.443 76 R N -0.330 120.174 120.500 0.006 0.000 2.073 76 R HA -0.127 4.214 4.340 0.002 0.000 0.234 76 R C 1.629 177.934 176.300 0.009 0.000 1.134 76 R CA 1.575 57.684 56.100 0.015 0.000 0.952 76 R CB -0.510 29.809 30.300 0.033 0.000 0.850 76 R HN 0.463 nan 8.270 nan 0.000 0.433 77 D N 0.153 120.555 120.400 0.004 0.000 2.144 77 D HA -0.099 4.542 4.640 0.002 0.000 0.200 77 D C 2.006 178.295 176.300 -0.019 0.000 0.978 77 D CA 1.106 55.105 54.000 -0.003 0.000 0.833 77 D CB -0.118 40.680 40.800 -0.003 0.000 0.961 77 D HN 0.171 nan 8.370 nan 0.000 0.470 78 R N 0.600 121.082 120.500 -0.030 0.000 2.092 78 R HA 0.033 4.374 4.340 0.002 0.000 0.231 78 R C 2.266 178.525 176.300 -0.069 0.000 1.119 78 R CA 1.144 57.209 56.100 -0.060 0.000 0.970 78 R CB -0.206 30.052 30.300 -0.069 0.000 0.864 78 R HN 0.092 nan 8.270 nan 0.000 0.440 79 A N 1.605 124.412 122.820 -0.021 0.000 1.877 79 A HA -0.189 4.132 4.320 0.002 0.000 0.216 79 A C 1.895 179.523 177.584 0.072 0.000 1.186 79 A CA 1.386 53.454 52.037 0.052 0.000 0.620 79 A CB -0.261 18.781 19.000 0.071 0.000 0.822 79 A HN 0.187 nan 8.150 nan 0.000 0.443 80 K N -0.290 120.123 120.400 0.021 0.000 2.032 80 K HA -0.106 4.215 4.320 0.002 0.000 0.209 80 K C 2.318 178.919 176.600 0.002 0.000 1.048 80 K CA 1.289 57.584 56.287 0.014 0.000 0.927 80 K CB -0.347 32.157 32.500 0.007 0.000 0.712 80 K HN 0.443 nan 8.250 nan 0.000 0.441 81 A N 1.245 124.048 122.820 -0.029 0.000 1.898 81 A HA -0.138 4.183 4.320 0.002 0.000 0.216 81 A C 2.107 179.631 177.584 -0.100 0.000 1.181 81 A CA 1.094 53.100 52.037 -0.051 0.000 0.620 81 A CB -0.504 18.463 19.000 -0.055 0.000 0.819 81 A HN 0.232 nan 8.150 nan 0.000 0.442 82 L N -1.809 119.301 121.223 -0.190 0.000 2.046 82 L HA -0.018 4.323 4.340 0.002 0.000 0.208 82 L C 1.701 178.322 176.870 -0.415 0.000 1.077 82 L CA 1.983 56.593 54.840 -0.384 0.000 0.747 82 L CB -0.498 41.175 42.059 -0.644 0.000 0.896 82 L HN 0.335 nan 8.230 nan 0.000 0.432 83 F N -0.154 119.757 119.950 -0.064 0.000 2.727 83 F HA 0.408 4.935 4.527 0.001 0.000 0.302 83 F C 1.778 177.542 175.800 -0.059 0.000 1.097 83 F CA 0.219 58.180 58.000 -0.065 0.000 1.330 83 F CB -0.446 38.494 39.000 -0.099 0.000 1.084 83 F HN 0.148 nan 8.300 nan 0.000 0.578 84 G N 1.029 109.876 108.800 0.077 0.000 2.221 84 G HA2 -0.079 3.882 3.960 0.002 0.000 0.265 84 G HA3 -0.079 3.882 3.960 0.002 0.000 0.265 84 G C 0.191 175.107 174.900 0.027 0.000 1.041 84 G CA 0.076 45.199 45.100 0.038 0.000 0.807 84 G HN 0.660 nan 8.290 nan 0.000 0.502 85 A N -0.930 121.904 122.820 0.024 0.000 2.294 85 A HA 0.827 5.148 4.320 0.002 0.000 0.330 85 A C 0.980 178.556 177.584 -0.013 0.000 1.133 85 A CA 0.330 52.352 52.037 -0.025 0.000 0.836 85 A CB 0.790 19.733 19.000 -0.096 0.000 1.190 85 A HN 0.330 nan 8.150 nan 0.000 0.492 86 E N -0.257 119.948 120.200 0.008 0.000 2.158 86 E HA 0.072 4.423 4.350 0.002 0.000 0.191 86 E C -0.232 176.458 176.600 0.150 0.000 0.982 86 E CA 1.019 57.467 56.400 0.081 0.000 0.823 86 E CB 0.050 29.824 29.700 0.123 0.000 0.766 86 E HN 0.658 nan 8.360 nan 0.000 0.468 87 F N -1.065 118.896 119.950 0.020 0.000 2.643 87 F HA 0.757 5.285 4.527 0.002 0.000 0.314 87 F C -1.457 174.352 175.800 0.014 0.000 1.096 87 F CA -1.400 56.610 58.000 0.017 0.000 0.953 87 F CB 1.306 40.318 39.000 0.020 0.000 1.345 87 F HN -0.243 nan 8.300 nan 0.000 0.468 88 A N 2.292 125.091 122.820 -0.035 0.000 2.475 88 A HA 0.633 4.954 4.320 0.002 0.000 0.301 88 A C -1.931 175.739 177.584 0.143 0.000 1.059 88 A CA -0.811 51.146 52.037 -0.133 0.000 0.710 88 A CB 1.607 20.565 19.000 -0.070 0.000 1.288 88 A HN 0.879 nan 8.150 nan 0.000 0.408 89 N N 1.560 120.320 118.700 0.099 0.000 2.399 89 N HA 0.345 5.086 4.740 0.002 0.000 0.280 89 N C 0.021 175.549 175.510 0.029 0.000 1.008 89 N CA -0.076 53.045 53.050 0.118 0.000 0.894 89 N CB 2.014 40.605 38.487 0.175 0.000 1.273 89 N HN 0.821 nan 8.380 nan 0.000 0.486 90 V N 1.392 121.317 119.914 0.019 0.000 3.444 90 V HA 0.222 4.343 4.120 0.002 0.000 0.308 90 V C 1.238 177.323 176.094 -0.017 0.000 1.371 90 V CA 0.317 62.614 62.300 -0.005 0.000 1.141 90 V CB -0.047 31.775 31.823 -0.002 0.000 1.037 90 V HN 0.551 nan 8.190 nan 0.000 0.433 91 Q N 0.649 120.436 119.800 -0.021 0.000 2.331 91 Q HA 0.178 4.519 4.340 0.002 0.000 0.203 91 Q C -1.540 174.388 176.000 -0.121 0.000 0.944 91 Q CA -0.353 55.416 55.803 -0.057 0.000 0.892 91 Q CB -0.936 27.770 28.738 -0.054 0.000 0.983 91 Q HN 0.547 nan 8.270 nan 0.000 0.482 92 P HA -0.114 nan 4.420 nan 0.000 0.262 92 P C -0.120 177.139 177.300 -0.069 0.000 1.182 92 P CA 0.617 63.639 63.100 -0.130 0.000 0.761 92 P CB 0.417 32.079 31.700 -0.063 0.000 0.795 93 H N 0.433 119.503 119.070 -0.000 0.000 2.521 93 H HA 0.030 4.587 4.556 0.002 0.000 0.286 93 H C 1.007 176.339 175.328 0.008 0.000 1.034 93 H CA 1.048 57.092 56.048 -0.006 0.000 1.278 93 H CB 0.079 29.841 29.762 -0.001 0.000 1.386 93 H HN 0.496 nan 8.280 nan 0.000 0.567 94 S N -2.711 113.068 115.700 0.131 0.000 2.655 94 S HA 0.392 4.863 4.470 0.002 0.000 0.266 94 S C 1.285 175.936 174.600 0.085 0.000 1.149 94 S CA -0.381 57.895 58.200 0.127 0.000 0.818 94 S CB 1.053 64.333 63.200 0.133 0.000 1.130 94 S HN 0.086 nan 8.310 nan 0.000 0.476 95 G N 0.664 109.512 108.800 0.080 0.000 2.418 95 G HA2 0.136 4.097 3.960 0.002 0.000 0.217 95 G HA3 0.136 4.097 3.960 0.002 0.000 0.217 95 G C 1.503 176.432 174.900 0.048 0.000 1.158 95 G CA 1.129 46.220 45.100 -0.014 0.000 0.771 95 G HN 1.340 nan 8.290 nan 0.000 0.545 96 A N 0.128 123.024 122.820 0.127 0.000 1.902 96 A HA -0.057 4.264 4.320 0.002 0.000 0.217 96 A C 2.382 180.103 177.584 0.229 0.000 1.181 96 A CA 2.113 54.304 52.037 0.258 0.000 0.623 96 A CB -0.381 18.810 19.000 0.318 0.000 0.818 96 A HN 0.325 nan 8.150 nan 0.000 0.443 97 Q N -0.307 119.566 119.800 0.122 0.000 2.167 97 Q HA 0.046 4.387 4.340 0.002 0.000 0.202 97 Q C 2.263 178.259 176.000 -0.007 0.000 0.970 97 Q CA 1.599 57.421 55.803 0.032 0.000 0.855 97 Q CB -0.720 28.046 28.738 0.046 0.000 0.911 97 Q HN 0.650 nan 8.270 nan 0.000 0.438 98 A N 0.774 123.601 122.820 0.013 0.000 1.877 98 A HA -0.217 4.104 4.320 0.002 0.000 0.216 98 A C 1.830 179.428 177.584 0.024 0.000 1.186 98 A CA 1.737 53.770 52.037 -0.007 0.000 0.620 98 A CB -0.545 18.435 19.000 -0.032 0.000 0.822 98 A HN 0.327 nan 8.150 nan 0.000 0.443 99 N N 0.365 119.121 118.700 0.094 0.000 2.188 99 N HA -0.060 4.681 4.740 0.002 0.000 0.184 99 N C 1.860 177.480 175.510 0.185 0.000 1.018 99 N CA 1.462 54.619 53.050 0.178 0.000 0.858 99 N CB -0.604 38.066 38.487 0.304 0.000 0.989 99 N HN 0.463 nan 8.380 nan 0.000 0.426 100 A N 0.940 123.773 122.820 0.023 0.000 1.908 100 A HA -0.025 4.296 4.320 0.002 0.000 0.218 100 A C 2.344 179.872 177.584 -0.094 0.000 1.181 100 A CA 2.012 53.849 52.037 -0.334 0.000 0.627 100 A CB -0.836 17.706 19.000 -0.762 0.000 0.818 100 A HN 0.316 nan 8.150 nan 0.000 0.445 101 A N -0.584 122.194 122.820 -0.070 0.000 1.898 101 A HA 0.035 4.356 4.320 0.002 0.000 0.216 101 A C 2.216 179.817 177.584 0.028 0.000 1.181 101 A CA 1.671 53.678 52.037 -0.051 0.000 0.620 101 A CB -0.974 17.981 19.000 -0.075 0.000 0.819 101 A HN 0.409 nan 8.150 nan 0.000 0.442 102 V N 0.416 120.351 119.914 0.035 0.000 2.282 102 V HA -0.302 3.819 4.120 0.002 0.000 0.249 102 V C 2.567 178.687 176.094 0.044 0.000 1.057 102 V CA 2.140 64.462 62.300 0.037 0.000 1.032 102 V CB -0.870 30.960 31.823 0.012 0.000 0.645 102 V HN 0.573 nan 8.190 nan 0.000 0.447 103 L N -0.786 120.479 121.223 0.071 0.000 2.056 103 L HA -0.171 4.170 4.340 0.002 0.000 0.207 103 L C 2.549 179.485 176.870 0.110 0.000 1.078 103 L CA 2.050 56.908 54.840 0.029 0.000 0.749 103 L CB -0.927 41.163 42.059 0.052 0.000 0.901 103 L HN 0.454 nan 8.230 nan 0.000 0.433 104 H N 0.271 119.383 119.070 0.069 0.000 2.353 104 H HA -0.222 4.335 4.556 0.002 0.000 0.298 104 H C 2.194 177.542 175.328 0.034 0.000 1.103 104 H CA 1.741 57.827 56.048 0.062 0.000 1.293 104 H CB 0.230 30.002 29.762 0.016 0.000 1.372 104 H HN 0.336 nan 8.280 nan 0.000 0.501 105 A N 0.125 123.079 122.820 0.223 0.000 1.929 105 A HA -0.007 4.314 4.320 0.002 0.000 0.216 105 A C 2.252 179.886 177.584 0.084 0.000 1.176 105 A CA 1.238 53.367 52.037 0.153 0.000 0.628 105 A CB -0.224 18.840 19.000 0.107 0.000 0.816 105 A HN 0.483 nan 8.150 nan 0.000 0.444 106 L N -1.904 119.342 121.223 0.039 0.000 2.556 106 L HA 0.316 4.657 4.340 0.002 0.000 0.226 106 L C 0.562 177.417 176.870 -0.024 0.000 1.089 106 L CA 0.034 54.874 54.840 -0.001 0.000 0.864 106 L CB 0.039 42.064 42.059 -0.058 0.000 1.067 106 L HN 0.317 nan 8.230 nan 0.000 0.477 107 M N -1.478 118.101 119.600 -0.035 0.000 2.658 107 M HA 0.388 4.869 4.480 0.002 0.000 0.295 107 M C -0.775 175.548 176.300 0.038 0.000 1.248 107 M CA -0.308 54.963 55.300 -0.048 0.000 0.843 107 M CB 2.706 35.171 32.600 -0.225 0.000 1.749 107 M HN -0.225 nan 8.290 nan 0.000 0.464 108 S N 0.742 116.490 115.700 0.081 0.000 2.568 108 S HA 0.646 5.117 4.470 0.002 0.000 0.302 108 S C -2.620 172.116 174.600 0.227 0.000 1.082 108 S CA -1.291 56.974 58.200 0.108 0.000 1.009 108 S CB 1.540 64.763 63.200 0.037 0.000 1.069 108 S HN 0.336 nan 8.310 nan 0.000 0.500 109 P HA 0.191 nan 4.420 nan 0.000 0.264 109 P C 0.936 178.286 177.300 0.084 0.000 1.183 109 P CA 1.090 64.225 63.100 0.058 0.000 0.763 109 P CB 0.133 31.802 31.700 -0.052 0.000 0.807 110 G N 1.361 110.221 108.800 0.100 0.000 2.217 110 G HA2 -0.234 3.727 3.960 0.002 0.000 0.246 110 G HA3 -0.234 3.727 3.960 0.002 0.000 0.246 110 G C 0.174 175.136 174.900 0.103 0.000 0.990 110 G CA -0.185 44.967 45.100 0.085 0.000 0.627 110 G HN 0.552 nan 8.290 nan 0.000 0.522 111 E N 0.237 120.528 120.200 0.150 0.000 2.369 111 E HA 0.510 4.861 4.350 0.002 0.000 0.255 111 E C 0.512 177.146 176.600 0.056 0.000 1.172 111 E CA -0.569 55.870 56.400 0.065 0.000 0.932 111 E CB 0.575 30.294 29.700 0.031 0.000 1.040 111 E HN 0.300 nan 8.360 nan 0.000 0.454 112 R N 1.091 121.549 120.500 -0.071 0.000 2.265 112 R HA 0.341 4.682 4.340 0.002 0.000 0.319 112 R C -0.900 175.373 176.300 -0.045 0.000 1.006 112 R CA -0.693 55.327 56.100 -0.133 0.000 0.880 112 R CB 0.614 30.569 30.300 -0.576 0.000 1.077 112 R HN 0.206 nan 8.270 nan 0.000 0.454 113 L N 4.374 125.663 121.223 0.110 0.000 2.333 113 L HA 0.444 4.785 4.340 0.002 0.000 0.280 113 L C -1.613 175.345 176.870 0.146 0.000 1.004 113 L CA -0.867 54.014 54.840 0.069 0.000 0.820 113 L CB 1.653 43.709 42.059 -0.006 0.000 1.247 113 L HN 0.451 nan 8.230 nan 0.000 0.416 114 L N 5.081 126.383 121.223 0.132 0.000 2.325 114 L HA 0.977 5.318 4.340 0.002 0.000 0.281 114 L C -0.216 176.713 176.870 0.098 0.000 1.004 114 L CA 0.198 55.099 54.840 0.102 0.000 0.823 114 L CB 1.289 43.507 42.059 0.264 0.000 1.236 114 L HN 0.694 nan 8.230 nan 0.000 0.415 115 G N 3.638 112.424 108.800 -0.023 0.000 2.695 115 G HA2 0.460 4.421 3.960 0.002 0.000 0.290 115 G HA3 0.460 4.421 3.960 0.002 0.000 0.290 115 G C -1.900 172.793 174.900 -0.345 0.000 1.410 115 G CA -0.965 44.116 45.100 -0.031 0.000 0.844 115 G HN 0.623 nan 8.290 nan 0.000 0.478 116 L N 1.638 122.537 121.223 -0.540 0.000 2.462 116 L HA 0.311 4.652 4.340 0.002 0.000 0.272 116 L C 0.269 177.098 176.870 -0.068 0.000 1.166 116 L CA -0.688 53.820 54.840 -0.554 0.000 0.880 116 L CB 0.214 42.111 42.059 -0.271 0.000 1.142 116 L HN 0.668 nan 8.230 nan 0.000 0.473 117 D N 3.199 123.539 120.400 -0.099 0.000 2.362 117 D HA -0.024 4.617 4.640 0.002 0.000 0.242 117 D C 1.068 177.261 176.300 -0.178 0.000 1.132 117 D CA -0.310 53.543 54.000 -0.245 0.000 0.907 117 D CB 0.678 41.149 40.800 -0.547 0.000 1.195 117 D HN 0.464 nan 8.370 nan 0.000 0.429 118 L N 2.198 123.284 121.223 -0.228 0.000 2.043 118 L HA -0.124 4.217 4.340 0.002 0.000 0.212 118 L C 2.378 179.177 176.870 -0.118 0.000 1.075 118 L CA 2.392 57.143 54.840 -0.149 0.000 0.752 118 L CB -1.105 40.847 42.059 -0.178 0.000 0.891 118 L HN 0.720 nan 8.230 nan 0.000 0.432 119 A N -1.382 121.349 122.820 -0.148 0.000 2.070 119 A HA -0.181 4.140 4.320 0.002 0.000 0.220 119 A C 1.709 179.247 177.584 -0.078 0.000 1.159 119 A CA 1.855 53.827 52.037 -0.108 0.000 0.656 119 A CB -0.712 18.217 19.000 -0.118 0.000 0.800 119 A HN 0.691 nan 8.150 nan 0.000 0.453 120 N N -1.634 117.024 118.700 -0.070 0.000 2.275 120 N HA 0.369 5.110 4.740 0.002 0.000 0.236 120 N C 0.601 176.113 175.510 0.002 0.000 1.154 120 N CA 0.317 53.349 53.050 -0.031 0.000 0.866 120 N CB 0.664 39.139 38.487 -0.019 0.000 1.093 120 N HN 0.495 nan 8.380 nan 0.000 0.515 121 G N 0.031 108.834 108.800 0.006 0.000 2.163 121 G HA2 -0.202 3.759 3.960 0.002 0.000 0.213 121 G HA3 -0.202 3.759 3.960 0.002 0.000 0.213 121 G C 0.445 175.428 174.900 0.138 0.000 0.991 121 G CA -0.353 44.786 45.100 0.064 0.000 0.653 121 G HN 0.454 nan 8.290 nan 0.000 0.518 122 G N -1.012 107.846 108.800 0.097 0.000 2.651 122 G HA2 0.478 4.439 3.960 0.002 0.000 0.260 122 G HA3 0.478 4.439 3.960 0.002 0.000 0.260 122 G C -0.105 174.838 174.900 0.073 0.000 1.216 122 G CA 0.111 45.316 45.100 0.176 0.000 0.913 122 G HN 0.499 nan 8.290 nan 0.000 0.535 123 H N 0.151 119.089 119.070 -0.220 0.000 2.496 123 H HA 0.173 4.730 4.556 0.002 0.000 0.342 123 H C 1.612 176.746 175.328 -0.323 0.000 1.170 123 H CA -0.571 55.244 56.048 -0.387 0.000 1.274 123 H CB 1.791 31.167 29.762 -0.643 0.000 1.538 123 H HN 0.274 nan 8.280 nan 0.000 0.542 124 L N 1.627 122.356 121.223 -0.824 0.000 2.265 124 L HA -0.046 4.295 4.340 0.002 0.000 0.215 124 L C 1.892 178.586 176.870 -0.294 0.000 1.117 124 L CA 1.881 56.442 54.840 -0.465 0.000 0.782 124 L CB -1.289 40.507 42.059 -0.439 0.000 0.914 124 L HN 0.597 nan 8.230 nan 0.000 0.441 125 T N -4.382 110.065 114.554 -0.179 0.000 3.194 125 T HA 0.032 4.383 4.350 0.002 0.000 0.251 125 T C 0.967 175.757 174.700 0.151 0.000 1.132 125 T CA 0.576 62.632 62.100 -0.074 0.000 1.028 125 T CB -1.098 67.868 68.868 0.163 0.000 0.976 125 T HN 0.658 nan 8.240 nan 0.000 0.535 126 H N 0.142 119.257 119.070 0.075 0.000 2.520 126 H HA 0.474 5.032 4.556 0.002 0.000 0.284 126 H C 1.526 176.954 175.328 0.167 0.000 1.037 126 H CA -0.348 55.766 56.048 0.110 0.000 1.168 126 H CB 0.494 30.331 29.762 0.125 0.000 1.497 126 H HN 0.537 nan 8.280 nan 0.000 0.547 127 G N 0.884 109.830 108.800 0.243 0.000 2.276 127 G HA2 -0.197 3.763 3.960 0.002 0.000 0.177 127 G HA3 -0.197 3.763 3.960 0.002 0.000 0.177 127 G C 0.126 175.193 174.900 0.279 0.000 1.017 127 G CA -0.614 44.654 45.100 0.280 0.000 0.750 127 G HN 0.161 nan 8.290 nan 0.000 0.506 128 M N 1.609 121.263 119.600 0.090 0.000 2.251 128 M HA 0.398 4.879 4.480 0.002 0.000 0.343 128 M C 1.924 178.231 176.300 0.012 0.000 1.245 128 M CA 1.074 56.375 55.300 0.001 0.000 1.061 128 M CB 0.608 33.150 32.600 -0.097 0.000 1.723 128 M HN 0.638 nan 8.290 nan 0.000 0.449 129 R N 5.316 125.828 120.500 0.019 0.000 2.117 129 R HA -0.113 4.228 4.340 0.002 0.000 0.243 129 R C 1.513 177.817 176.300 0.007 0.000 1.143 129 R CA 2.232 58.349 56.100 0.029 0.000 0.968 129 R CB -1.281 29.031 30.300 0.019 0.000 0.863 129 R HN 0.843 nan 8.270 nan 0.000 0.444 130 L N 0.124 121.337 121.223 -0.016 0.000 2.728 130 L HA 0.181 4.522 4.340 0.002 0.000 0.238 130 L C 0.685 177.541 176.870 -0.023 0.000 1.143 130 L CA -0.260 54.572 54.840 -0.013 0.000 0.937 130 L CB 0.093 42.144 42.059 -0.013 0.000 1.225 130 L HN 0.483 nan 8.230 nan 0.000 0.507 131 N N 0.468 119.129 118.700 -0.065 0.000 2.493 131 N HA -0.000 4.741 4.740 0.002 0.000 0.275 131 N C 1.270 176.712 175.510 -0.112 0.000 1.186 131 N CA -0.403 52.565 53.050 -0.135 0.000 0.978 131 N CB 1.488 39.802 38.487 -0.289 0.000 1.184 131 N HN 0.055 nan 8.380 nan 0.000 0.487 132 F N 1.451 121.437 119.950 0.061 0.000 2.147 132 F HA -0.224 4.304 4.527 0.002 0.000 0.301 132 F C 2.409 178.259 175.800 0.082 0.000 1.084 132 F CA 1.461 59.491 58.000 0.050 0.000 1.268 132 F CB -1.240 37.805 39.000 0.074 0.000 1.009 132 F HN 0.442 nan 8.300 nan 0.000 0.486 133 S N 0.022 115.582 115.700 -0.233 0.000 2.423 133 S HA 0.047 4.518 4.470 0.002 0.000 0.231 133 S C 2.152 176.870 174.600 0.196 0.000 1.014 133 S CA 0.732 59.014 58.200 0.136 0.000 0.965 133 S CB -1.235 61.927 63.200 -0.062 0.000 0.785 133 S HN 0.589 nan 8.310 nan 0.000 0.495 134 G N 1.351 110.191 108.800 0.068 0.000 2.510 134 G HA2 0.090 4.051 3.960 0.002 0.000 0.212 134 G HA3 0.090 4.051 3.960 0.002 0.000 0.212 134 G C 1.568 176.498 174.900 0.051 0.000 1.151 134 G CA -0.075 45.081 45.100 0.093 0.000 0.817 134 G HN 0.345 nan 8.290 nan 0.000 0.534 135 K N 0.293 120.701 120.400 0.014 0.000 2.057 135 K HA 0.104 4.425 4.320 0.002 0.000 0.207 135 K C 2.319 178.869 176.600 -0.083 0.000 1.049 135 K CA 0.678 56.958 56.287 -0.012 0.000 0.931 135 K CB -0.283 32.221 32.500 0.006 0.000 0.714 135 K HN 0.316 nan 8.250 nan 0.000 0.440 136 L N -0.635 120.454 121.223 -0.223 0.000 2.354 136 L HA 0.033 4.374 4.340 0.002 0.000 0.212 136 L C 0.284 176.838 176.870 -0.527 0.000 1.091 136 L CA 0.272 54.811 54.840 -0.502 0.000 0.828 136 L CB 0.019 41.519 42.059 -0.931 0.000 0.973 136 L HN -0.002 nan 8.230 nan 0.000 0.461 137 Y N -0.820 119.527 120.300 0.077 0.000 2.562 137 Y HA 0.361 4.912 4.550 0.002 0.000 0.343 137 Y C 0.103 176.043 175.900 0.067 0.000 1.025 137 Y CA -1.816 56.323 58.100 0.065 0.000 1.082 137 Y CB 0.917 39.422 38.460 0.074 0.000 1.264 137 Y HN -0.156 nan 8.280 nan 0.000 0.478 138 E N 1.630 121.971 120.200 0.235 0.000 2.152 138 E HA 0.230 4.580 4.350 0.002 0.000 0.285 138 E C -1.317 175.441 176.600 0.263 0.000 1.043 138 E CA -0.328 56.192 56.400 0.200 0.000 0.839 138 E CB 0.196 29.993 29.700 0.162 0.000 1.069 138 E HN 0.688 nan 8.360 nan 0.000 0.399 139 N N 2.137 120.933 118.700 0.159 0.000 2.430 139 N HA 0.523 5.264 4.740 0.002 0.000 0.292 139 N C -0.577 174.692 175.510 -0.402 0.000 1.051 139 N CA -0.517 52.477 53.050 -0.092 0.000 0.917 139 N CB 2.009 40.383 38.487 -0.189 0.000 1.164 139 N HN 0.453 nan 8.380 nan 0.000 0.484 140 G N 0.531 108.820 108.800 -0.851 0.000 2.533 140 G HA2 0.749 4.710 3.960 0.002 0.000 0.304 140 G HA3 0.749 4.710 3.960 0.002 0.000 0.304 140 G C -1.541 172.719 174.900 -1.066 0.000 1.263 140 G CA -0.426 43.962 45.100 -1.187 0.000 0.964 140 G HN 0.364 nan 8.290 nan 0.000 0.479 141 F N -0.369 119.447 119.950 -0.223 0.000 2.576 141 F HA 0.593 5.121 4.527 0.002 0.000 0.313 141 F C -0.273 175.513 175.800 -0.023 0.000 1.078 141 F CA -0.896 57.027 58.000 -0.129 0.000 0.921 141 F CB 2.229 41.148 39.000 -0.136 0.000 1.232 141 F HN 0.670 nan 8.300 nan 0.000 0.459 142 Y N -0.359 120.042 120.300 0.169 0.000 2.621 142 Y HA 1.019 5.570 4.550 0.002 0.000 0.334 142 Y C -0.131 175.833 175.900 0.106 0.000 1.074 142 Y CA -1.378 56.785 58.100 0.105 0.000 1.149 142 Y CB 1.340 39.847 38.460 0.079 0.000 1.302 142 Y HN 0.735 nan 8.280 nan 0.000 0.501 143 G N -0.113 108.827 108.800 0.233 0.000 3.021 143 G HA2 0.583 4.544 3.960 0.002 0.000 0.290 143 G HA3 0.583 4.544 3.960 0.002 0.000 0.290 143 G C -1.369 173.623 174.900 0.153 0.000 1.291 143 G CA -0.476 44.694 45.100 0.116 0.000 0.834 143 G HN 1.235 nan 8.290 nan 0.000 0.564 144 V N -1.923 118.055 119.914 0.106 0.000 2.881 144 V HA 0.634 4.755 4.120 0.002 0.000 0.316 144 V C -0.373 175.785 176.094 0.106 0.000 1.070 144 V CA -0.995 61.380 62.300 0.126 0.000 0.976 144 V CB 1.884 33.806 31.823 0.164 0.000 1.038 144 V HN 0.689 nan 8.190 nan 0.000 0.446 145 D N 3.882 124.343 120.400 0.101 0.000 2.425 145 D HA 0.209 4.850 4.640 0.002 0.000 0.247 145 D C -1.578 174.781 176.300 0.099 0.000 1.147 145 D CA -1.290 52.752 54.000 0.069 0.000 0.879 145 D CB 2.164 42.984 40.800 0.033 0.000 1.179 145 D HN 0.505 nan 8.370 nan 0.000 0.456 146 P HA -0.072 nan 4.420 nan 0.000 0.222 146 P C 0.619 177.968 177.300 0.081 0.000 1.147 146 P CA 0.732 63.895 63.100 0.105 0.000 0.790 146 P CB 0.296 32.029 31.700 0.056 0.000 0.780 147 A N 0.176 122.983 122.820 -0.022 0.000 1.887 147 A HA -0.010 4.311 4.320 0.002 0.000 0.210 147 A C 2.212 179.593 177.584 -0.338 0.000 1.221 147 A CA 1.887 53.844 52.037 -0.132 0.000 0.635 147 A CB -1.398 17.552 19.000 -0.083 0.000 0.881 147 A HN 0.314 nan 8.150 nan 0.000 0.456 148 T N -4.511 109.902 114.554 -0.236 0.000 3.051 148 T HA 0.084 4.435 4.350 0.002 0.000 0.255 148 T C 0.658 175.214 174.700 -0.241 0.000 1.085 148 T CA 1.168 63.119 62.100 -0.248 0.000 1.109 148 T CB -0.612 68.194 68.868 -0.105 0.000 0.921 148 T HN 0.718 nan 8.240 nan 0.000 0.488 149 H N 0.365 119.430 119.070 -0.010 0.000 3.080 149 H HA -0.097 4.460 4.556 0.002 0.000 0.254 149 H C -0.473 174.882 175.328 0.046 0.000 1.179 149 H CA 0.188 56.236 56.048 -0.000 0.000 1.144 149 H CB -2.255 27.482 29.762 -0.042 0.000 1.261 149 H HN 0.407 nan 8.280 nan 0.000 0.333 150 L N 0.907 122.221 121.223 0.151 0.000 2.334 150 L HA 0.456 4.797 4.340 0.002 0.000 0.270 150 L C 0.861 177.850 176.870 0.198 0.000 1.018 150 L CA -1.064 53.897 54.840 0.201 0.000 0.811 150 L CB 1.471 43.581 42.059 0.085 0.000 1.271 150 L HN 0.050 nan 8.230 nan 0.000 0.443 151 I N 1.608 122.308 120.570 0.216 0.000 2.517 151 I HA -0.035 4.136 4.170 0.002 0.000 0.285 151 I C 0.094 176.217 176.117 0.010 0.000 1.106 151 I CA 0.344 61.687 61.300 0.070 0.000 1.402 151 I CB 0.277 38.263 38.000 -0.024 0.000 1.399 151 I HN 0.500 nan 8.210 nan 0.000 0.535 152 D N 8.007 128.399 120.400 -0.014 0.000 2.396 152 D HA 0.141 4.782 4.640 0.002 0.000 0.225 152 D C 0.775 177.001 176.300 -0.123 0.000 1.121 152 D CA -0.437 53.531 54.000 -0.052 0.000 0.853 152 D CB 1.083 41.868 40.800 -0.025 0.000 1.043 152 D HN 0.356 nan 8.370 nan 0.000 0.500 153 M N 2.158 121.653 119.600 -0.175 0.000 2.374 153 M HA -0.083 4.398 4.480 0.002 0.000 0.264 153 M C 0.911 177.090 176.300 -0.202 0.000 1.067 153 M CA 0.753 55.890 55.300 -0.273 0.000 1.103 153 M CB -0.421 31.991 32.600 -0.314 0.000 1.402 153 M HN 0.362 nan 8.290 nan 0.000 0.444 154 D N 0.823 121.145 120.400 -0.130 0.000 2.144 154 D HA -0.064 4.577 4.640 0.002 0.000 0.199 154 D C 2.009 178.261 176.300 -0.080 0.000 0.984 154 D CA 1.561 55.505 54.000 -0.093 0.000 0.834 154 D CB -0.104 40.657 40.800 -0.064 0.000 0.955 154 D HN 0.335 nan 8.370 nan 0.000 0.465 155 A N 0.649 123.425 122.820 -0.073 0.000 1.929 155 A HA -0.079 4.242 4.320 0.002 0.000 0.216 155 A C 2.517 180.063 177.584 -0.063 0.000 1.176 155 A CA 0.843 52.853 52.037 -0.045 0.000 0.628 155 A CB -0.578 18.413 19.000 -0.015 0.000 0.816 155 A HN 0.130 nan 8.150 nan 0.000 0.444 156 V N 0.034 119.862 119.914 -0.143 0.000 2.343 156 V HA -0.252 3.869 4.120 0.002 0.000 0.247 156 V C 2.615 178.614 176.094 -0.159 0.000 1.051 156 V CA 2.265 64.429 62.300 -0.226 0.000 1.036 156 V CB -0.814 30.690 31.823 -0.531 0.000 0.654 156 V HN 0.637 nan 8.190 nan 0.000 0.451 157 R N 0.123 120.530 120.500 -0.155 0.000 2.073 157 R HA -0.170 4.171 4.340 0.002 0.000 0.234 157 R C 2.352 178.627 176.300 -0.041 0.000 1.134 157 R CA 1.669 57.710 56.100 -0.097 0.000 0.952 157 R CB -0.476 29.765 30.300 -0.098 0.000 0.850 157 R HN 0.495 nan 8.270 nan 0.000 0.433 158 A N -0.152 122.648 122.820 -0.033 0.000 1.908 158 A HA -0.158 4.163 4.320 0.002 0.000 0.218 158 A C 2.179 179.776 177.584 0.021 0.000 1.181 158 A CA 2.116 54.150 52.037 -0.005 0.000 0.627 158 A CB -0.935 18.061 19.000 -0.005 0.000 0.818 158 A HN 0.445 nan 8.150 nan 0.000 0.445 159 T N 0.166 114.734 114.554 0.024 0.000 2.746 159 T HA -0.009 4.342 4.350 0.002 0.000 0.267 159 T C 2.204 176.968 174.700 0.106 0.000 1.039 159 T CA 1.579 63.714 62.100 0.058 0.000 1.142 159 T CB -0.420 68.484 68.868 0.059 0.000 0.866 159 T HN 0.603 nan 8.240 nan 0.000 0.444 160 A N 1.081 123.950 122.820 0.081 0.000 1.930 160 A HA 0.054 4.375 4.320 0.002 0.000 0.217 160 A C 2.280 179.917 177.584 0.088 0.000 1.175 160 A CA 1.067 53.169 52.037 0.109 0.000 0.627 160 A CB -0.788 18.248 19.000 0.060 0.000 0.815 160 A HN 0.472 nan 8.150 nan 0.000 0.443 161 L N -0.822 120.433 121.223 0.053 0.000 2.083 161 L HA -0.201 4.140 4.340 0.002 0.000 0.209 161 L C 2.665 179.568 176.870 0.056 0.000 1.083 161 L CA 1.849 56.713 54.840 0.040 0.000 0.752 161 L CB -0.380 41.692 42.059 0.021 0.000 0.899 161 L HN 0.613 nan 8.230 nan 0.000 0.433 162 E N -0.143 120.106 120.200 0.082 0.000 2.046 162 E HA -0.230 4.121 4.350 0.002 0.000 0.190 162 E C 2.093 178.786 176.600 0.155 0.000 0.982 162 E CA 1.024 57.484 56.400 0.100 0.000 0.800 162 E CB -0.014 29.745 29.700 0.099 0.000 0.756 162 E HN 0.353 nan 8.360 nan 0.000 0.449 163 F N 1.281 121.237 119.950 0.010 0.000 2.416 163 F HA 0.207 4.735 4.527 0.002 0.000 0.296 163 F C 0.395 176.197 175.800 0.004 0.000 1.099 163 F CA 0.720 58.725 58.000 0.007 0.000 1.427 163 F CB 0.219 39.223 39.000 0.007 0.000 1.079 163 F HN -0.109 nan 8.300 nan 0.000 0.536 164 R N 0.497 120.980 120.500 -0.029 0.000 3.146 164 R HA -0.151 4.190 4.340 0.002 0.000 0.250 164 R C -2.516 173.636 176.300 -0.246 0.000 0.912 164 R CA 0.300 56.332 56.100 -0.114 0.000 0.633 164 R CB -2.258 27.986 30.300 -0.095 0.000 1.180 164 R HN 0.241 nan 8.270 nan 0.000 0.464 165 P HA 0.011 nan 4.420 nan 0.000 0.274 165 P C 0.198 177.432 177.300 -0.109 0.000 1.231 165 P CA -0.181 62.806 63.100 -0.189 0.000 0.790 165 P CB 1.047 32.782 31.700 0.058 0.000 0.951 166 K N 1.408 121.740 120.400 -0.113 0.000 2.167 166 K HA 0.073 4.394 4.320 0.002 0.000 0.203 166 K C 0.095 176.661 176.600 -0.058 0.000 1.052 166 K CA 1.280 57.521 56.287 -0.077 0.000 0.956 166 K CB -0.215 32.235 32.500 -0.084 0.000 0.735 166 K HN 0.316 nan 8.250 nan 0.000 0.451 167 V N 1.763 121.643 119.914 -0.058 0.000 2.686 167 V HA 0.398 4.519 4.120 0.002 0.000 0.306 167 V C -0.717 175.377 176.094 -0.000 0.000 1.065 167 V CA -0.857 61.412 62.300 -0.051 0.000 0.894 167 V CB 1.935 33.697 31.823 -0.102 0.000 1.004 167 V HN 0.011 nan 8.190 nan 0.000 0.424 168 I N 5.283 125.868 120.570 0.025 0.000 2.377 168 I HA 0.490 4.661 4.170 0.002 0.000 0.293 168 I C -0.473 175.654 176.117 0.017 0.000 0.987 168 I CA -0.433 60.916 61.300 0.081 0.000 1.185 168 I CB 1.662 39.752 38.000 0.150 0.000 1.341 168 I HN 0.415 nan 8.210 nan 0.000 0.455 169 I N 5.676 126.253 120.570 0.012 0.000 2.315 169 I HA 0.454 4.625 4.170 0.002 0.000 0.291 169 I C 0.305 176.354 176.117 -0.114 0.000 1.006 169 I CA -0.377 60.853 61.300 -0.116 0.000 1.265 169 I CB 1.481 39.324 38.000 -0.261 0.000 1.387 169 I HN 0.593 nan 8.210 nan 0.000 0.475 170 A N 5.196 127.838 122.820 -0.297 0.000 2.271 170 A HA 0.911 5.232 4.320 0.002 0.000 0.317 170 A C 0.144 177.658 177.584 -0.118 0.000 1.245 170 A CA -0.235 51.524 52.037 -0.463 0.000 0.857 170 A CB 0.864 19.221 19.000 -1.072 0.000 1.175 170 A HN 0.966 nan 8.150 nan 0.000 0.512 171 G N 1.208 110.045 108.800 0.062 0.000 2.339 171 G HA2 0.481 4.442 3.960 0.002 0.000 0.302 171 G HA3 0.481 4.442 3.960 0.002 0.000 0.302 171 G C -1.199 173.919 174.900 0.362 0.000 1.425 171 G CA -0.176 45.015 45.100 0.152 0.000 0.899 171 G HN 1.759 nan 8.290 nan 0.000 0.619 172 W N -1.180 120.326 121.300 0.344 0.000 3.153 172 W HA 0.662 5.323 4.660 0.002 0.000 0.316 172 W C -0.469 176.174 176.519 0.207 0.000 1.255 172 W CA -0.487 57.015 57.345 0.263 0.000 1.192 172 W CB 0.867 30.444 29.460 0.195 0.000 1.400 172 W HN 0.630 nan 8.180 nan 0.000 0.568 173 S N 0.781 116.758 115.700 0.461 0.000 2.506 173 S HA 0.368 4.839 4.470 0.002 0.000 0.219 173 S C 0.398 175.055 174.600 0.094 0.000 1.031 173 S CA 0.687 59.006 58.200 0.199 0.000 0.911 173 S CB 0.621 63.968 63.200 0.244 0.000 0.812 173 S HN 0.618 nan 8.310 nan 0.000 0.497 174 A N 1.226 124.192 122.820 0.243 0.000 3.007 174 A HA 0.645 4.966 4.320 0.002 0.000 0.314 174 A C -1.389 176.144 177.584 -0.084 0.000 1.153 174 A CA -0.283 51.772 52.037 0.031 0.000 0.780 174 A CB 0.406 19.403 19.000 -0.005 0.000 1.258 174 A HN 0.275 nan 8.150 nan 0.000 0.460 175 Y N 3.383 123.277 120.300 -0.677 0.000 2.479 175 Y HA 0.656 5.207 4.550 0.002 0.000 0.338 175 Y C -2.625 172.674 175.900 -1.001 0.000 1.055 175 Y CA -1.884 55.699 58.100 -0.863 0.000 1.023 175 Y CB 2.940 40.695 38.460 -1.175 0.000 1.287 175 Y HN 0.318 nan 8.280 nan 0.000 0.447 176 P HA 0.277 nan 4.420 nan 0.000 0.272 176 P C -0.434 176.473 177.300 -0.654 0.000 1.408 176 P CA 0.385 63.055 63.100 -0.717 0.000 0.996 176 P CB 0.747 32.157 31.700 -0.483 0.000 1.481 177 R N -0.905 119.040 120.500 -0.924 0.000 2.922 177 R HA 0.530 4.870 4.340 0.002 0.000 0.256 177 R C -0.776 175.438 176.300 -0.144 0.000 1.138 177 R CA -1.116 54.684 56.100 -0.501 0.000 0.995 177 R CB 0.813 30.802 30.300 -0.518 0.000 1.226 177 R HN -0.257 nan 8.270 nan 0.000 0.481 178 V N 2.713 122.583 119.914 -0.073 0.000 2.406 178 V HA 0.259 4.380 4.120 0.002 0.000 0.272 178 V C 0.688 176.752 176.094 -0.050 0.000 1.043 178 V CA -0.557 61.681 62.300 -0.104 0.000 0.915 178 V CB 0.861 32.504 31.823 -0.300 0.000 0.988 178 V HN 0.401 nan 8.190 nan 0.000 0.466 179 L N 3.870 125.041 121.223 -0.085 0.000 2.485 179 L HA 0.174 4.515 4.340 0.002 0.000 0.275 179 L C 0.686 177.254 176.870 -0.502 0.000 1.207 179 L CA 0.054 54.751 54.840 -0.240 0.000 0.855 179 L CB 0.243 42.084 42.059 -0.362 0.000 1.114 179 L HN 0.602 nan 8.230 nan 0.000 0.485 180 D N 2.354 122.618 120.400 -0.227 0.000 2.483 180 D HA 0.087 4.728 4.640 0.002 0.000 0.220 180 D C 0.735 176.999 176.300 -0.060 0.000 1.173 180 D CA -0.164 53.720 54.000 -0.193 0.000 0.964 180 D CB 0.400 41.119 40.800 -0.134 0.000 1.046 180 D HN 0.230 nan 8.370 nan 0.000 0.517 181 F N 2.059 122.036 119.950 0.044 0.000 2.216 181 F HA -0.051 4.477 4.527 0.002 0.000 0.300 181 F C 2.496 178.192 175.800 -0.173 0.000 1.085 181 F CA 0.814 58.809 58.000 -0.009 0.000 1.326 181 F CB -0.778 38.167 39.000 -0.093 0.000 1.027 181 F HN 0.460 nan 8.300 nan 0.000 0.497 182 A N 0.106 122.802 122.820 -0.206 0.000 1.898 182 A HA -0.016 4.305 4.320 0.002 0.000 0.216 182 A C 2.461 180.046 177.584 0.001 0.000 1.181 182 A CA 1.664 53.630 52.037 -0.119 0.000 0.620 182 A CB -1.226 17.723 19.000 -0.084 0.000 0.819 182 A HN 0.289 nan 8.150 nan 0.000 0.442 183 A N -1.097 121.700 122.820 -0.039 0.000 1.902 183 A HA 0.005 4.326 4.320 0.002 0.000 0.217 183 A C 1.935 179.458 177.584 -0.101 0.000 1.181 183 A CA 1.467 53.443 52.037 -0.101 0.000 0.623 183 A CB -0.763 18.116 19.000 -0.201 0.000 0.818 183 A HN 0.444 nan 8.150 nan 0.000 0.443 184 F N -0.149 119.786 119.950 -0.025 0.000 2.126 184 F HA -0.170 4.358 4.527 0.001 0.000 0.299 184 F C 2.433 178.251 175.800 0.030 0.000 1.096 184 F CA 1.906 59.906 58.000 0.001 0.000 1.255 184 F CB -0.323 38.713 39.000 0.059 0.000 0.997 184 F HN 0.204 nan 8.300 nan 0.000 0.479 185 R N 0.327 120.967 120.500 0.233 0.000 2.083 185 R HA -0.169 4.172 4.340 0.002 0.000 0.237 185 R C 2.477 178.842 176.300 0.108 0.000 1.137 185 R CA 1.865 58.069 56.100 0.173 0.000 0.951 185 R CB -1.058 29.364 30.300 0.203 0.000 0.851 185 R HN 0.189 nan 8.270 nan 0.000 0.434 186 S N -0.387 115.356 115.700 0.072 0.000 2.359 186 S HA -0.127 4.344 4.470 0.002 0.000 0.224 186 S C 1.966 176.577 174.600 0.020 0.000 1.035 186 S CA 1.639 59.860 58.200 0.035 0.000 1.018 186 S CB -0.331 62.873 63.200 0.008 0.000 0.876 186 S HN 0.418 nan 8.310 nan 0.000 0.448 187 I N 1.690 122.260 120.570 -0.000 0.000 2.179 187 I HA -0.155 4.016 4.170 0.002 0.000 0.242 187 I C 2.923 179.058 176.117 0.030 0.000 1.088 187 I CA 1.148 62.442 61.300 -0.010 0.000 1.357 187 I CB -0.672 37.288 38.000 -0.067 0.000 1.051 187 I HN 0.418 nan 8.210 nan 0.000 0.409 188 A N 0.634 123.493 122.820 0.065 0.000 1.883 188 A HA -0.268 4.053 4.320 0.002 0.000 0.217 188 A C 1.968 179.583 177.584 0.051 0.000 1.186 188 A CA 2.278 54.356 52.037 0.068 0.000 0.624 188 A CB -0.683 18.370 19.000 0.089 0.000 0.822 188 A HN 0.364 nan 8.150 nan 0.000 0.444 189 D N -0.828 119.604 120.400 0.054 0.000 2.144 189 D HA -0.150 4.491 4.640 0.002 0.000 0.199 189 D C 1.887 178.206 176.300 0.032 0.000 0.984 189 D CA 1.450 55.477 54.000 0.046 0.000 0.834 189 D CB -0.366 40.465 40.800 0.051 0.000 0.955 189 D HN 0.749 nan 8.370 nan 0.000 0.465 190 E N 0.398 120.613 120.200 0.025 0.000 2.051 190 E HA -0.155 4.196 4.350 0.002 0.000 0.192 190 E C 1.821 178.429 176.600 0.014 0.000 0.991 190 E CA 1.387 57.796 56.400 0.015 0.000 0.799 190 E CB 0.239 29.943 29.700 0.007 0.000 0.748 190 E HN 0.220 nan 8.360 nan 0.000 0.449 191 V N -2.933 116.990 119.914 0.016 0.000 3.647 191 V HA 0.410 4.531 4.120 0.002 0.000 0.279 191 V C 1.055 177.154 176.094 0.008 0.000 1.314 191 V CA 0.470 62.777 62.300 0.011 0.000 1.125 191 V CB -0.072 31.760 31.823 0.014 0.000 0.907 191 V HN 0.330 nan 8.190 nan 0.000 0.434 192 G N 0.272 109.081 108.800 0.016 0.000 2.221 192 G HA2 -0.036 3.925 3.960 0.002 0.000 0.265 192 G HA3 -0.036 3.925 3.960 0.002 0.000 0.265 192 G C 0.245 175.154 174.900 0.014 0.000 1.041 192 G CA 0.426 45.536 45.100 0.017 0.000 0.807 192 G HN 1.644 nan 8.290 nan 0.000 0.502 193 A N -0.509 122.322 122.820 0.018 0.000 2.282 193 A HA 0.814 5.135 4.320 0.002 0.000 0.319 193 A C 0.472 178.064 177.584 0.014 0.000 1.121 193 A CA -0.566 51.477 52.037 0.011 0.000 0.836 193 A CB 0.931 19.942 19.000 0.019 0.000 1.146 193 A HN 0.206 nan 8.150 nan 0.000 0.494 194 K N 0.186 120.578 120.400 -0.013 0.000 2.118 194 K HA 0.452 4.773 4.320 0.002 0.000 0.264 194 K C -1.178 175.392 176.600 -0.050 0.000 1.000 194 K CA -0.504 55.753 56.287 -0.050 0.000 0.929 194 K CB 1.400 33.830 32.500 -0.117 0.000 1.021 194 K HN 0.471 nan 8.250 nan 0.000 0.463 195 L N 3.393 124.577 121.223 -0.064 0.000 2.316 195 L HA 0.331 4.672 4.340 0.002 0.000 0.280 195 L C -1.375 175.434 176.870 -0.102 0.000 1.006 195 L CA -0.847 53.968 54.840 -0.041 0.000 0.836 195 L CB 1.049 43.124 42.059 0.026 0.000 1.221 195 L HN 0.440 nan 8.230 nan 0.000 0.418 196 L N 6.604 127.761 121.223 -0.110 0.000 2.272 196 L HA 0.587 4.928 4.340 0.002 0.000 0.289 196 L C -0.980 175.800 176.870 -0.150 0.000 1.032 196 L CA -0.135 54.624 54.840 -0.134 0.000 0.810 196 L CB 1.539 43.526 42.059 -0.121 0.000 1.205 196 L HN 0.389 nan 8.230 nan 0.000 0.422 197 V N 4.678 124.493 119.914 -0.165 0.000 2.383 197 V HA 0.290 4.411 4.120 0.002 0.000 0.275 197 V C -0.354 175.621 176.094 -0.199 0.000 1.036 197 V CA -0.566 61.634 62.300 -0.167 0.000 0.889 197 V CB 1.248 32.950 31.823 -0.202 0.000 0.985 197 V HN 0.722 nan 8.190 nan 0.000 0.459 198 D N 5.845 126.138 120.400 -0.177 0.000 2.456 198 D HA 0.251 4.892 4.640 0.002 0.000 0.219 198 D C 0.738 176.827 176.300 -0.351 0.000 1.126 198 D CA -0.465 53.415 54.000 -0.201 0.000 0.890 198 D CB 1.154 41.925 40.800 -0.050 0.000 1.025 198 D HN 0.612 nan 8.370 nan 0.000 0.511 199 M N 1.777 121.023 119.600 -0.590 0.000 2.493 199 M HA 0.367 4.848 4.480 0.002 0.000 0.244 199 M C 1.333 176.994 176.300 -1.065 0.000 1.182 199 M CA -0.356 54.202 55.300 -1.236 0.000 0.981 199 M CB 0.707 32.586 32.600 -1.202 0.000 1.551 199 M HN 0.138 nan 8.290 nan 0.000 0.476 200 A N 1.210 123.643 122.820 -0.645 0.000 1.896 200 A HA -0.239 4.082 4.320 0.002 0.000 0.220 200 A C 2.111 179.379 177.584 -0.527 0.000 1.206 200 A CA 2.103 53.830 52.037 -0.517 0.000 0.647 200 A CB -1.358 17.398 19.000 -0.405 0.000 0.828 200 A HN 0.752 nan 8.150 nan 0.000 0.455 201 H N -1.599 117.157 119.070 -0.524 0.000 2.389 201 H HA -0.085 4.471 4.556 0.001 0.000 0.299 201 H C 1.530 176.647 175.328 -0.352 0.000 1.081 201 H CA 1.943 57.800 56.048 -0.318 0.000 1.345 201 H CB -0.105 29.569 29.762 -0.148 0.000 1.393 201 H HN 0.744 nan 8.280 nan 0.000 0.520 202 F N -2.100 117.661 119.950 -0.314 0.000 2.639 202 F HA 0.550 5.078 4.527 0.001 0.000 0.302 202 F C 1.964 177.653 175.800 -0.185 0.000 1.097 202 F CA 0.085 57.938 58.000 -0.245 0.000 1.294 202 F CB -0.226 38.624 39.000 -0.250 0.000 1.027 202 F HN -0.082 nan 8.300 nan 0.000 0.550 203 A N 1.534 124.137 122.820 -0.360 0.000 1.940 203 A HA 0.021 4.342 4.320 0.002 0.000 0.219 203 A C 2.427 180.087 177.584 0.127 0.000 1.176 203 A CA 1.825 53.757 52.037 -0.175 0.000 0.631 203 A CB -1.495 17.358 19.000 -0.245 0.000 0.814 203 A HN 0.533 nan 8.150 nan 0.000 0.446 204 G N -0.316 108.549 108.800 0.109 0.000 2.422 204 G HA2 -0.075 3.886 3.960 0.002 0.000 0.218 204 G HA3 -0.075 3.886 3.960 0.002 0.000 0.218 204 G C 1.513 176.571 174.900 0.263 0.000 1.140 204 G CA 0.896 46.166 45.100 0.283 0.000 0.775 204 G HN 0.447 nan 8.290 nan 0.000 0.545 205 L N 0.352 121.684 121.223 0.181 0.000 2.017 205 L HA -0.093 4.248 4.340 0.002 0.000 0.208 205 L C 2.952 179.995 176.870 0.288 0.000 1.073 205 L CA 0.540 55.517 54.840 0.227 0.000 0.745 205 L CB -0.747 41.484 42.059 0.288 0.000 0.894 205 L HN 0.064 nan 8.230 nan 0.000 0.432 206 V N 0.442 120.547 119.914 0.318 0.000 2.287 206 V HA -0.314 3.807 4.120 0.002 0.000 0.248 206 V C 2.853 179.119 176.094 0.287 0.000 1.053 206 V CA 1.891 64.398 62.300 0.344 0.000 1.027 206 V CB -1.018 31.016 31.823 0.352 0.000 0.646 206 V HN 0.493 nan 8.190 nan 0.000 0.447 207 A N -0.000 122.984 122.820 0.273 0.000 1.940 207 A HA -0.131 4.190 4.320 0.002 0.000 0.219 207 A C 2.231 179.874 177.584 0.099 0.000 1.176 207 A CA 2.113 54.177 52.037 0.044 0.000 0.631 207 A CB -0.647 18.324 19.000 -0.048 0.000 0.814 207 A HN 0.641 nan 8.150 nan 0.000 0.446 208 A N -1.957 120.995 122.820 0.221 0.000 2.238 208 A HA 0.416 4.737 4.320 0.002 0.000 0.208 208 A C 1.782 179.451 177.584 0.142 0.000 1.177 208 A CA 1.156 53.311 52.037 0.197 0.000 0.804 208 A CB -0.966 18.154 19.000 0.198 0.000 0.823 208 A HN 1.929 nan 8.150 nan 0.000 0.482 209 G N -1.090 107.799 108.800 0.149 0.000 2.153 209 G HA2 -0.243 3.718 3.960 0.002 0.000 0.252 209 G HA3 -0.243 3.718 3.960 0.002 0.000 0.252 209 G C 0.525 175.515 174.900 0.150 0.000 0.994 209 G CA 0.556 45.741 45.100 0.140 0.000 0.698 209 G HN 0.554 nan 8.290 nan 0.000 0.521 210 L N -0.234 121.096 121.223 0.179 0.000 2.693 210 L HA 0.366 4.707 4.340 0.002 0.000 0.235 210 L C 0.771 177.779 176.870 0.229 0.000 1.127 210 L CA -0.262 54.678 54.840 0.166 0.000 0.914 210 L CB 0.309 42.449 42.059 0.136 0.000 1.193 210 L HN 0.396 nan 8.230 nan 0.000 0.502 211 H N 0.750 119.930 119.070 0.182 0.000 2.865 211 H HA 0.377 4.934 4.556 0.002 0.000 0.362 211 H C -2.731 172.743 175.328 0.243 0.000 1.114 211 H CA -1.788 54.384 56.048 0.208 0.000 1.208 211 H CB 2.721 32.649 29.762 0.276 0.000 1.727 211 H HN -0.220 nan 8.280 nan 0.000 0.534 212 P HA -0.021 nan 4.420 nan 0.000 0.266 212 P C -0.409 177.242 177.300 0.585 0.000 1.195 212 P CA 0.080 63.392 63.100 0.353 0.000 0.768 212 P CB 0.594 32.438 31.700 0.240 0.000 0.838 213 S N 3.328 119.269 115.700 0.402 0.000 2.548 213 S HA 0.243 4.714 4.470 0.002 0.000 0.277 213 S C -1.312 173.363 174.600 0.125 0.000 1.315 213 S CA -1.360 57.006 58.200 0.277 0.000 1.050 213 S CB 0.054 63.365 63.200 0.185 0.000 0.918 213 S HN 0.308 nan 8.310 nan 0.000 0.497 214 P HA 0.041 nan 4.420 nan 0.000 0.236 214 P C 1.376 178.530 177.300 -0.243 0.000 1.177 214 P CA 0.317 63.005 63.100 -0.686 0.000 0.773 214 P CB -0.029 31.055 31.700 -1.027 0.000 0.878 215 V N 1.657 121.480 119.914 -0.150 0.000 2.343 215 V HA -0.133 3.988 4.120 0.002 0.000 0.247 215 V C -0.299 175.724 176.094 -0.119 0.000 1.051 215 V CA 2.294 64.520 62.300 -0.124 0.000 1.036 215 V CB -2.506 29.273 31.823 -0.072 0.000 0.654 215 V HN 0.196 nan 8.190 nan 0.000 0.451 216 P HA -0.100 nan 4.420 nan 0.000 0.222 216 P C 1.264 178.355 177.300 -0.349 0.000 1.147 216 P CA 1.369 64.286 63.100 -0.306 0.000 0.790 216 P CB -0.079 31.347 31.700 -0.456 0.000 0.780 217 H N -1.915 117.160 119.070 0.009 0.000 2.639 217 H HA 0.409 4.966 4.556 0.002 0.000 0.267 217 H C 0.881 176.220 175.328 0.017 0.000 0.958 217 H CA 0.088 56.163 56.048 0.044 0.000 1.221 217 H CB 0.148 29.977 29.762 0.112 0.000 1.446 217 H HN 0.031 nan 8.280 nan 0.000 0.512 218 A N 1.217 124.062 122.820 0.041 0.000 2.293 218 A HA 0.180 4.501 4.320 0.002 0.000 0.302 218 A C 0.609 178.182 177.584 -0.018 0.000 1.119 218 A CA -0.537 51.490 52.037 -0.017 0.000 0.823 218 A CB 1.024 19.955 19.000 -0.115 0.000 1.097 218 A HN 0.038 nan 8.150 nan 0.000 0.491 219 D N -0.071 120.293 120.400 -0.059 0.000 2.097 219 D HA 0.027 4.668 4.640 0.002 0.000 0.197 219 D C 0.303 176.530 176.300 -0.122 0.000 0.984 219 D CA 1.757 55.685 54.000 -0.120 0.000 0.826 219 D CB 0.051 40.591 40.800 -0.434 0.000 0.973 219 D HN 0.247 nan 8.370 nan 0.000 0.460 220 V N 0.390 120.205 119.914 -0.165 0.000 2.971 220 V HA 0.384 4.505 4.120 0.002 0.000 0.309 220 V C -0.461 175.532 176.094 -0.168 0.000 1.130 220 V CA -0.880 61.345 62.300 -0.126 0.000 0.964 220 V CB 3.087 34.847 31.823 -0.105 0.000 1.029 220 V HN -0.260 nan 8.190 nan 0.000 0.427 221 V N 2.574 122.361 119.914 -0.211 0.000 2.483 221 V HA 0.617 4.738 4.120 0.002 0.000 0.297 221 V C 0.050 175.980 176.094 -0.273 0.000 1.027 221 V CA -0.427 61.712 62.300 -0.270 0.000 0.855 221 V CB 1.992 33.606 31.823 -0.348 0.000 0.995 221 V HN 1.030 nan 8.190 nan 0.000 0.424 222 S N 2.973 118.526 115.700 -0.245 0.000 2.608 222 S HA 0.894 5.365 4.470 0.002 0.000 0.291 222 S C -0.343 174.079 174.600 -0.296 0.000 1.146 222 S CA -0.569 57.499 58.200 -0.220 0.000 1.043 222 S CB 2.165 65.286 63.200 -0.132 0.000 1.037 222 S HN 0.821 nan 8.310 nan 0.000 0.520 223 T N 0.721 115.109 114.554 -0.277 0.000 2.840 223 T HA 0.579 4.930 4.350 0.002 0.000 0.317 223 T C -0.733 173.810 174.700 -0.262 0.000 1.401 223 T CA -0.418 61.486 62.100 -0.326 0.000 1.028 223 T CB 1.316 69.939 68.868 -0.409 0.000 1.317 223 T HN 1.097 nan 8.240 nan 0.000 0.495 224 T N 0.719 115.075 114.554 -0.330 0.000 2.904 224 T HA 0.464 4.815 4.350 0.002 0.000 0.290 224 T C 1.365 175.900 174.700 -0.275 0.000 1.018 224 T CA -0.539 61.339 62.100 -0.371 0.000 1.075 224 T CB 1.065 69.440 68.868 -0.821 0.000 0.986 224 T HN 0.335 nan 8.240 nan 0.000 0.523 225 V N 1.375 121.221 119.914 -0.113 0.000 2.878 225 V HA 0.025 4.146 4.120 0.002 0.000 0.250 225 V C 1.631 177.731 176.094 0.011 0.000 1.075 225 V CA 0.730 63.014 62.300 -0.028 0.000 1.096 225 V CB -1.283 30.553 31.823 0.023 0.000 0.724 225 V HN 0.993 nan 8.190 nan 0.000 0.467 229 L N 2.870 124.119 121.223 0.043 0.000 2.265 229 L HA 0.437 4.778 4.340 0.002 0.000 0.215 229 L C 1.996 178.996 176.870 0.216 0.000 1.117 229 L CA 2.476 57.417 54.840 0.167 0.000 0.782 229 L CB -1.112 40.981 42.059 0.056 0.000 0.914 229 L HN 0.976 nan 8.230 nan 0.000 0.441 230 G N -2.257 106.632 108.800 0.147 0.000 2.143 230 G HA2 -0.209 3.752 3.960 0.002 0.000 0.249 230 G HA3 -0.209 3.752 3.960 0.002 0.000 0.249 230 G C 0.653 175.634 174.900 0.135 0.000 0.981 230 G CA 0.273 45.476 45.100 0.171 0.000 0.665 230 G HN 0.848 nan 8.290 nan 0.000 0.528 231 G N -0.678 108.181 108.800 0.098 0.000 2.671 231 G HA2 0.773 4.734 3.960 0.002 0.000 0.275 231 G HA3 0.773 4.734 3.960 0.002 0.000 0.275 231 G C 0.722 175.678 174.900 0.093 0.000 1.368 231 G CA 0.056 45.205 45.100 0.080 0.000 1.044 231 G HN 1.205 nan 8.290 nan 0.000 0.543 232 G N -1.125 107.712 108.800 0.061 0.000 2.527 232 G HA2 0.414 4.375 3.960 0.002 0.000 0.248 232 G HA3 0.414 4.375 3.960 0.002 0.000 0.248 232 G C 0.184 175.096 174.900 0.019 0.000 1.231 232 G CA -0.596 44.522 45.100 0.030 0.000 0.838 232 G HN 0.579 nan 8.290 nan 0.000 0.570 233 R N 0.509 120.951 120.500 -0.097 0.000 2.399 233 R HA 0.349 4.690 4.340 0.002 0.000 0.324 233 R C -0.023 176.218 176.300 -0.098 0.000 1.030 233 R CA 0.759 56.669 56.100 -0.316 0.000 0.984 233 R CB -0.218 29.834 30.300 -0.413 0.000 0.961 233 R HN 0.787 nan 8.270 nan 0.000 0.433 234 S N 1.668 117.430 115.700 0.104 0.000 2.688 234 S HA 0.477 4.948 4.470 0.002 0.000 0.266 234 S C -0.687 173.990 174.600 0.129 0.000 1.061 234 S CA -0.716 57.547 58.200 0.106 0.000 0.844 234 S CB 0.757 63.981 63.200 0.040 0.000 1.103 234 S HN 0.618 nan 8.310 nan 0.000 0.471 235 G N -0.558 108.273 108.800 0.051 0.000 2.644 235 G HA2 0.846 4.807 3.960 0.002 0.000 0.307 235 G HA3 0.846 4.807 3.960 0.002 0.000 0.307 235 G C -1.554 173.322 174.900 -0.040 0.000 1.250 235 G CA -0.788 44.306 45.100 -0.009 0.000 0.996 235 G HN 1.514 nan 8.290 nan 0.000 0.489 236 L N -0.919 120.256 121.223 -0.080 0.000 2.556 236 L HA 0.743 5.084 4.340 0.002 0.000 0.257 236 L C -1.645 175.146 176.870 -0.132 0.000 0.955 236 L CA -0.603 54.181 54.840 -0.093 0.000 0.850 236 L CB 2.003 44.003 42.059 -0.099 0.000 1.398 236 L HN 0.499 nan 8.230 nan 0.000 0.412 237 I N 4.501 124.997 120.570 -0.124 0.000 2.545 237 I HA 0.762 4.933 4.170 0.002 0.000 0.292 237 I C -0.646 175.293 176.117 -0.297 0.000 1.040 237 I CA -0.950 60.251 61.300 -0.165 0.000 1.068 237 I CB 2.116 40.088 38.000 -0.046 0.000 1.251 237 I HN 0.553 nan 8.210 nan 0.000 0.424 238 V N 2.049 121.711 119.914 -0.420 0.000 3.102 238 V HA 1.122 5.243 4.120 0.002 0.000 0.312 238 V C -0.246 175.439 176.094 -0.681 0.000 1.135 238 V CA -0.230 61.693 62.300 -0.628 0.000 1.022 238 V CB 1.579 33.158 31.823 -0.406 0.000 1.056 238 V HN 0.989 nan 8.190 nan 0.000 0.436 239 G N 1.181 109.484 108.800 -0.829 0.000 2.335 239 G HA2 0.350 4.311 3.960 0.002 0.000 0.291 239 G HA3 0.350 4.311 3.960 0.002 0.000 0.291 239 G C -1.557 173.373 174.900 0.050 0.000 1.261 239 G CA -1.055 43.875 45.100 -0.284 0.000 0.871 239 G HN 0.768 nan 8.290 nan 0.000 0.491 240 K N 0.286 120.874 120.400 0.314 0.000 2.326 240 K HA 0.193 4.514 4.320 0.002 0.000 0.275 240 K C 1.109 177.972 176.600 0.438 0.000 1.018 240 K CA -0.433 56.055 56.287 0.335 0.000 0.962 240 K CB 1.795 34.485 32.500 0.317 0.000 0.953 240 K HN 0.573 nan 8.250 nan 0.000 0.475 241 Q N 2.210 122.158 119.800 0.247 0.000 2.181 241 Q HA -0.224 4.117 4.340 0.002 0.000 0.205 241 Q C 1.907 177.860 176.000 -0.078 0.000 0.980 241 Q CA 1.652 57.522 55.803 0.112 0.000 0.862 241 Q CB -0.043 28.730 28.738 0.059 0.000 0.905 241 Q HN 0.615 nan 8.270 nan 0.000 0.429 242 Q N -1.162 118.548 119.800 -0.149 0.000 2.197 242 Q HA -0.238 4.103 4.340 0.002 0.000 0.211 242 Q C 0.643 176.300 176.000 -0.571 0.000 0.993 242 Q CA 1.972 57.525 55.803 -0.418 0.000 0.883 242 Q CB -0.122 28.249 28.738 -0.611 0.000 0.916 242 Q HN 0.621 nan 8.270 nan 0.000 0.418 243 Y N -1.435 118.833 120.300 -0.052 0.000 2.457 243 Y HA 0.331 4.882 4.550 0.002 0.000 0.263 243 Y C 1.800 177.462 175.900 -0.396 0.000 1.164 243 Y CA 0.146 58.183 58.100 -0.106 0.000 1.274 243 Y CB -0.137 38.347 38.460 0.039 0.000 1.097 243 Y HN 0.192 nan 8.280 nan 0.000 0.523 244 A N 0.919 123.375 122.820 -0.606 0.000 1.877 244 A HA -0.243 4.078 4.320 0.002 0.000 0.216 244 A C 2.280 179.559 177.584 -0.509 0.000 1.186 244 A CA 2.033 53.418 52.037 -1.086 0.000 0.620 244 A CB -0.455 18.076 19.000 -0.783 0.000 0.822 244 A HN 0.402 nan 8.150 nan 0.000 0.443 245 K N -0.423 119.811 120.400 -0.278 0.000 2.057 245 K HA -0.058 4.263 4.320 0.002 0.000 0.207 245 K C 2.144 178.685 176.600 -0.099 0.000 1.049 245 K CA 1.229 57.425 56.287 -0.151 0.000 0.931 245 K CB -0.334 32.104 32.500 -0.105 0.000 0.714 245 K HN 0.351 nan 8.250 nan 0.000 0.440 246 A N 1.491 124.265 122.820 -0.077 0.000 1.902 246 A HA -0.119 4.202 4.320 0.002 0.000 0.217 246 A C 2.064 179.648 177.584 -0.000 0.000 1.181 246 A CA 1.208 53.242 52.037 -0.006 0.000 0.623 246 A CB -0.439 18.589 19.000 0.047 0.000 0.818 246 A HN 0.292 nan 8.150 nan 0.000 0.443 247 I N 0.446 120.995 120.570 -0.035 0.000 2.202 247 I HA -0.193 3.978 4.170 0.002 0.000 0.242 247 I C 1.992 178.109 176.117 -0.000 0.000 1.091 247 I CA 1.261 62.568 61.300 0.012 0.000 1.368 247 I CB -1.503 36.556 38.000 0.098 0.000 1.058 247 I HN 0.324 nan 8.210 nan 0.000 0.410 248 N N 0.659 119.333 118.700 -0.043 0.000 2.069 248 N HA -0.190 4.551 4.740 0.002 0.000 0.191 248 N C 2.054 177.576 175.510 0.020 0.000 1.031 248 N CA 1.748 54.803 53.050 0.008 0.000 0.852 248 N CB -0.458 38.024 38.487 -0.007 0.000 1.018 248 N HN 0.219 nan 8.380 nan 0.000 0.423 249 S N 0.220 115.916 115.700 -0.007 0.000 2.399 249 S HA -0.002 4.469 4.470 0.002 0.000 0.231 249 S C 1.915 176.459 174.600 -0.093 0.000 1.022 249 S CA 1.162 59.347 58.200 -0.024 0.000 0.983 249 S CB -0.192 63.001 63.200 -0.011 0.000 0.803 249 S HN 0.410 nan 8.310 nan 0.000 0.480 250 A N 0.620 123.378 122.820 -0.103 0.000 1.930 250 A HA 0.028 4.349 4.320 0.002 0.000 0.217 250 A C 2.280 179.676 177.584 -0.313 0.000 1.175 250 A CA 1.616 53.467 52.037 -0.310 0.000 0.627 250 A CB -0.833 18.093 19.000 -0.122 0.000 0.815 250 A HN 0.445 nan 8.150 nan 0.000 0.443 251 V N -2.258 117.583 119.914 -0.122 0.000 2.270 251 V HA -0.007 4.114 4.120 0.002 0.000 0.245 251 V C 0.905 177.006 176.094 0.012 0.000 1.043 251 V CA 1.748 64.010 62.300 -0.062 0.000 1.014 251 V CB -0.563 31.258 31.823 -0.002 0.000 0.645 251 V HN 0.551 nan 8.190 nan 0.000 0.447 252 F N 1.840 121.739 119.950 -0.085 0.000 2.585 252 F HA 0.560 5.088 4.527 0.002 0.000 0.319 252 F C -2.545 173.237 175.800 -0.030 0.000 1.165 252 F CA -2.053 55.918 58.000 -0.048 0.000 0.949 252 F CB 2.264 41.266 39.000 0.003 0.000 1.218 252 F HN -0.110 nan 8.300 nan 0.000 0.453 253 P HA 0.199 nan 4.420 nan 0.000 0.261 253 P C 0.997 178.052 177.300 -0.408 0.000 1.352 253 P CA 0.429 62.944 63.100 -0.975 0.000 0.891 253 P CB 0.596 31.714 31.700 -0.970 0.000 1.383 254 G N 0.904 109.502 108.800 -0.337 0.000 2.433 254 G HA2 -0.215 3.746 3.960 0.002 0.000 0.216 254 G HA3 -0.215 3.746 3.960 0.002 0.000 0.216 254 G C 1.545 176.272 174.900 -0.287 0.000 1.186 254 G CA 0.891 45.749 45.100 -0.403 0.000 0.779 254 G HN 0.219 nan 8.290 nan 0.000 0.543 255 Q N -0.817 118.835 119.800 -0.247 0.000 2.532 255 Q HA 0.214 4.555 4.340 0.002 0.000 0.247 255 Q C 1.041 177.022 176.000 -0.032 0.000 0.872 255 Q CA 0.406 56.130 55.803 -0.132 0.000 0.963 255 Q CB 0.544 29.181 28.738 -0.167 0.000 1.159 255 Q HN 0.517 nan 8.270 nan 0.000 0.598 256 Q N -0.716 119.091 119.800 0.010 0.000 2.306 256 Q HA 0.605 4.946 4.340 0.002 0.000 0.269 256 Q C 0.116 176.282 176.000 0.276 0.000 1.053 256 Q CA -0.396 55.476 55.803 0.114 0.000 0.879 256 Q CB 1.745 30.469 28.738 -0.023 0.000 1.344 256 Q HN 0.143 nan 8.270 nan 0.000 0.464 257 G N -0.155 108.832 108.800 0.313 0.000 3.434 257 G HA2 0.403 4.364 3.960 0.002 0.000 0.192 257 G HA3 0.403 4.364 3.960 0.002 0.000 0.192 257 G C -0.097 174.970 174.900 0.277 0.000 1.704 257 G CA -0.146 45.188 45.100 0.389 0.000 0.936 257 G HN 0.600 nan 8.290 nan 0.000 0.623 258 G N 1.601 110.581 108.800 0.300 0.000 2.398 258 G HA2 0.480 4.441 3.960 0.002 0.000 0.246 258 G HA3 0.480 4.441 3.960 0.002 0.000 0.246 258 G C -2.049 172.903 174.900 0.087 0.000 1.289 258 G CA -0.330 44.860 45.100 0.149 0.000 0.869 258 G HN 0.407 nan 8.290 nan 0.000 0.543 259 P HA 0.212 nan 4.420 nan 0.000 0.276 259 P C -0.167 177.156 177.300 0.039 0.000 1.244 259 P CA -0.522 62.613 63.100 0.059 0.000 0.801 259 P CB 1.336 33.029 31.700 -0.012 0.000 1.006 260 L N 2.758 124.020 121.223 0.064 0.000 2.356 260 L HA 0.146 4.487 4.340 0.002 0.000 0.282 260 L C 1.759 178.593 176.870 -0.061 0.000 1.132 260 L CA -0.507 54.319 54.840 -0.025 0.000 0.923 260 L CB -0.078 41.880 42.059 -0.169 0.000 1.278 260 L HN 0.230 nan 8.230 nan 0.000 0.436 261 M N 1.387 121.032 119.600 0.075 0.000 2.229 261 M HA -0.132 4.349 4.480 0.002 0.000 0.264 261 M C 2.359 178.707 176.300 0.080 0.000 1.063 261 M CA 1.427 56.762 55.300 0.058 0.000 1.114 261 M CB -1.123 31.504 32.600 0.045 0.000 1.387 261 M HN 0.637 nan 8.290 nan 0.000 0.420 262 H N -0.397 118.652 119.070 -0.033 0.000 2.353 262 H HA 0.003 4.560 4.556 0.002 0.000 0.300 262 H C 2.108 177.427 175.328 -0.015 0.000 1.090 262 H CA 1.558 57.590 56.048 -0.026 0.000 1.327 262 H CB -1.515 28.227 29.762 -0.033 0.000 1.383 262 H HN 0.247 nan 8.280 nan 0.000 0.508 263 V N 1.677 121.332 119.914 -0.431 0.000 2.427 263 V HA -0.181 3.940 4.120 0.002 0.000 0.248 263 V C 3.012 179.038 176.094 -0.113 0.000 1.051 263 V CA 1.544 63.685 62.300 -0.265 0.000 1.048 263 V CB -0.613 31.021 31.823 -0.315 0.000 0.666 263 V HN 0.246 nan 8.190 nan 0.000 0.456 264 I N 0.683 121.200 120.570 -0.088 0.000 2.286 264 I HA -0.245 3.926 4.170 0.002 0.000 0.248 264 I C 2.692 178.796 176.117 -0.022 0.000 1.115 264 I CA 1.413 62.690 61.300 -0.039 0.000 1.392 264 I CB -0.592 37.393 38.000 -0.024 0.000 1.065 264 I HN 0.291 nan 8.210 nan 0.000 0.418 265 A N 0.995 123.808 122.820 -0.011 0.000 1.908 265 A HA -0.176 4.145 4.320 0.002 0.000 0.218 265 A C 2.443 180.022 177.584 -0.009 0.000 1.181 265 A CA 2.052 54.088 52.037 -0.002 0.000 0.627 265 A CB -1.463 17.546 19.000 0.015 0.000 0.818 265 A HN 0.469 nan 8.150 nan 0.000 0.445 266 G N -0.505 108.288 108.800 -0.013 0.000 2.422 266 G HA2 -0.194 3.767 3.960 0.002 0.000 0.218 266 G HA3 -0.194 3.767 3.960 0.002 0.000 0.218 266 G C 1.628 176.519 174.900 -0.014 0.000 1.140 266 G CA 1.035 46.128 45.100 -0.011 0.000 0.775 266 G HN 0.612 nan 8.290 nan 0.000 0.545 267 K N 0.665 121.053 120.400 -0.019 0.000 2.057 267 K HA 0.050 4.371 4.320 0.002 0.000 0.207 267 K C 2.943 179.527 176.600 -0.027 0.000 1.049 267 K CA 1.006 57.282 56.287 -0.018 0.000 0.931 267 K CB -0.239 32.252 32.500 -0.016 0.000 0.714 267 K HN 0.246 nan 8.250 nan 0.000 0.440 268 A N 1.254 124.059 122.820 -0.025 0.000 1.908 268 A HA -0.145 4.176 4.320 0.002 0.000 0.218 268 A C 2.425 179.983 177.584 -0.043 0.000 1.181 268 A CA 1.611 53.629 52.037 -0.032 0.000 0.627 268 A CB -0.783 18.204 19.000 -0.022 0.000 0.818 268 A HN 0.076 nan 8.150 nan 0.000 0.445 269 V N -0.172 119.721 119.914 -0.035 0.000 2.295 269 V HA -0.259 3.862 4.120 0.002 0.000 0.246 269 V C 3.042 179.103 176.094 -0.055 0.000 1.049 269 V CA 2.048 64.326 62.300 -0.038 0.000 1.024 269 V CB -1.357 30.452 31.823 -0.023 0.000 0.648 269 V HN 0.617 nan 8.190 nan 0.000 0.447 270 A N -0.325 122.465 122.820 -0.050 0.000 1.930 270 A HA -0.112 4.209 4.320 0.002 0.000 0.217 270 A C 2.214 179.706 177.584 -0.155 0.000 1.175 270 A CA 1.635 53.628 52.037 -0.073 0.000 0.627 270 A CB -0.517 18.464 19.000 -0.031 0.000 0.815 270 A HN 0.515 nan 8.150 nan 0.000 0.443 271 L N -0.733 120.410 121.223 -0.133 0.000 2.093 271 L HA -0.174 4.167 4.340 0.002 0.000 0.208 271 L C 2.579 179.323 176.870 -0.209 0.000 1.085 271 L CA 1.826 56.557 54.840 -0.181 0.000 0.755 271 L CB -0.381 41.606 42.059 -0.119 0.000 0.904 271 L HN 0.433 nan 8.230 nan 0.000 0.435 272 K N 0.925 121.236 120.400 -0.148 0.000 2.026 272 K HA -0.182 4.139 4.320 0.002 0.000 0.208 272 K C 2.113 178.618 176.600 -0.157 0.000 1.048 272 K CA 1.497 57.705 56.287 -0.131 0.000 0.929 272 K CB -0.117 32.332 32.500 -0.084 0.000 0.713 272 K HN 0.186 nan 8.250 nan 0.000 0.439 273 I N 0.991 121.463 120.570 -0.163 0.000 2.264 273 I HA -0.260 3.911 4.170 0.002 0.000 0.248 273 I C 2.321 178.221 176.117 -0.363 0.000 1.111 273 I CA 1.215 62.418 61.300 -0.161 0.000 1.382 273 I CB -0.331 37.622 38.000 -0.078 0.000 1.060 273 I HN 0.256 nan 8.210 nan 0.000 0.418 274 A N 0.460 122.885 122.820 -0.657 0.000 2.121 274 A HA 0.030 4.351 4.320 0.002 0.000 0.218 274 A C 2.337 179.556 177.584 -0.609 0.000 1.154 274 A CA 1.451 52.744 52.037 -1.240 0.000 0.679 274 A CB -0.513 17.856 19.000 -1.052 0.000 0.795 274 A HN 0.439 nan 8.150 nan 0.000 0.458 275 A N -0.238 122.384 122.820 -0.331 0.000 2.218 275 A HA 0.276 4.597 4.320 0.002 0.000 0.209 275 A C 1.439 178.983 177.584 -0.066 0.000 1.168 275 A CA 0.989 52.922 52.037 -0.174 0.000 0.804 275 A CB -0.802 18.104 19.000 -0.157 0.000 0.834 275 A HN 0.578 nan 8.150 nan 0.000 0.482 276 T N -3.123 111.410 114.554 -0.036 0.000 2.904 276 T HA 0.391 4.742 4.350 0.002 0.000 0.290 276 T C -1.601 173.155 174.700 0.093 0.000 1.018 276 T CA -1.357 60.762 62.100 0.031 0.000 1.075 276 T CB 1.041 69.932 68.868 0.039 0.000 0.986 276 T HN -0.018 nan 8.240 nan 0.000 0.523 277 P HA -0.094 nan 4.420 nan 0.000 0.216 277 P C 1.431 178.789 177.300 0.096 0.000 1.150 277 P CA 0.919 64.066 63.100 0.077 0.000 0.837 277 P CB 0.091 31.822 31.700 0.052 0.000 0.786 278 E N -1.207 119.054 120.200 0.101 0.000 2.058 278 E HA -0.223 4.128 4.350 0.002 0.000 0.194 278 E C 1.808 178.492 176.600 0.140 0.000 0.997 278 E CA 0.963 57.426 56.400 0.106 0.000 0.801 278 E CB -0.540 29.221 29.700 0.101 0.000 0.746 278 E HN 0.163 nan 8.360 nan 0.000 0.450 279 F N 0.892 120.857 119.950 0.024 0.000 2.186 279 F HA -0.090 4.438 4.527 0.002 0.000 0.299 279 F C 2.116 177.935 175.800 0.032 0.000 1.090 279 F CA 1.455 59.470 58.000 0.026 0.000 1.307 279 F CB -0.288 38.717 39.000 0.008 0.000 1.019 279 F HN 0.097 nan 8.300 nan 0.000 0.489 280 A N -0.210 122.725 122.820 0.191 0.000 1.902 280 A HA -0.255 4.066 4.320 0.002 0.000 0.217 280 A C 1.862 179.455 177.584 0.015 0.000 1.181 280 A CA 2.026 54.120 52.037 0.096 0.000 0.623 280 A CB -1.251 17.819 19.000 0.115 0.000 0.818 280 A HN 0.520 nan 8.150 nan 0.000 0.443 281 D N -0.798 119.619 120.400 0.029 0.000 2.123 281 D HA -0.212 4.429 4.640 0.002 0.000 0.196 281 D C 2.115 178.411 176.300 -0.007 0.000 0.992 281 D CA 1.530 55.543 54.000 0.023 0.000 0.833 281 D CB -0.146 40.680 40.800 0.043 0.000 0.954 281 D HN 0.448 nan 8.370 nan 0.000 0.455 282 R N -0.467 119.998 120.500 -0.060 0.000 2.081 282 R HA -0.156 4.185 4.340 0.002 0.000 0.235 282 R C 2.078 178.295 176.300 -0.139 0.000 1.131 282 R CA 1.310 57.350 56.100 -0.101 0.000 0.960 282 R CB -0.030 30.160 30.300 -0.184 0.000 0.856 282 R HN 0.254 nan 8.270 nan 0.000 0.436 283 Q N 0.234 119.898 119.800 -0.227 0.000 2.119 283 Q HA -0.168 4.173 4.340 0.002 0.000 0.201 283 Q C 2.038 178.015 176.000 -0.038 0.000 0.972 283 Q CA 1.239 56.951 55.803 -0.151 0.000 0.847 283 Q CB -0.417 28.225 28.738 -0.160 0.000 0.903 283 Q HN 0.385 nan 8.270 nan 0.000 0.433 284 R N 0.987 121.479 120.500 -0.014 0.000 2.091 284 R HA -0.100 4.241 4.340 0.002 0.000 0.238 284 R C 2.203 178.515 176.300 0.020 0.000 1.136 284 R CA 1.275 57.385 56.100 0.016 0.000 0.959 284 R CB 0.055 30.371 30.300 0.027 0.000 0.856 284 R HN 0.152 nan 8.270 nan 0.000 0.437 285 R N -0.702 119.820 120.500 0.037 0.000 2.092 285 R HA -0.062 4.279 4.340 0.002 0.000 0.231 285 R C 2.283 178.604 176.300 0.036 0.000 1.119 285 R CA 1.863 58.016 56.100 0.089 0.000 0.970 285 R CB -0.356 30.040 30.300 0.161 0.000 0.864 285 R HN 0.269 nan 8.270 nan 0.000 0.440 286 T N 1.700 116.257 114.554 0.005 0.000 2.684 286 T HA -0.135 4.216 4.350 0.002 0.000 0.267 286 T C 1.862 176.497 174.700 -0.109 0.000 1.036 286 T CA 1.229 63.295 62.100 -0.058 0.000 1.148 286 T CB -0.147 68.716 68.868 -0.008 0.000 0.863 286 T HN 0.139 nan 8.240 nan 0.000 0.436 287 L N 1.221 122.420 121.223 -0.039 0.000 2.072 287 L HA -0.072 4.269 4.340 0.002 0.000 0.205 287 L C 2.961 179.788 176.870 -0.072 0.000 1.079 287 L CA 1.459 56.285 54.840 -0.024 0.000 0.752 287 L CB -0.703 41.371 42.059 0.026 0.000 0.906 287 L HN 0.383 nan 8.230 nan 0.000 0.436 288 S N -0.167 115.495 115.700 -0.064 0.000 2.402 288 S HA -0.092 4.379 4.470 0.002 0.000 0.229 288 S C 2.079 176.604 174.600 -0.126 0.000 1.021 288 S CA 0.860 59.026 58.200 -0.056 0.000 0.974 288 S CB -0.936 62.264 63.200 -0.002 0.000 0.800 288 S HN 0.411 nan 8.310 nan 0.000 0.484 289 G N 1.651 110.271 108.800 -0.300 0.000 2.418 289 G HA2 0.037 3.998 3.960 0.002 0.000 0.217 289 G HA3 0.037 3.998 3.960 0.002 0.000 0.217 289 G C 1.685 176.294 174.900 -0.484 0.000 1.158 289 G CA 0.852 45.541 45.100 -0.684 0.000 0.771 289 G HN 0.782 nan 8.290 nan 0.000 0.545 290 A N 0.658 123.257 122.820 -0.368 0.000 1.902 290 A HA 0.005 4.326 4.320 0.002 0.000 0.217 290 A C 2.471 179.978 177.584 -0.128 0.000 1.181 290 A CA 1.432 53.344 52.037 -0.208 0.000 0.623 290 A CB -0.327 18.588 19.000 -0.141 0.000 0.818 290 A HN 0.254 nan 8.150 nan 0.000 0.443 291 R N -0.479 119.959 120.500 -0.105 0.000 2.096 291 R HA -0.065 4.276 4.340 0.002 0.000 0.235 291 R C 1.988 178.259 176.300 -0.050 0.000 1.127 291 R CA 1.428 57.487 56.100 -0.067 0.000 0.968 291 R CB -0.683 29.587 30.300 -0.049 0.000 0.861 291 R HN 0.630 nan 8.270 nan 0.000 0.440 292 I N 0.611 121.152 120.570 -0.048 0.000 2.226 292 I HA -0.279 3.892 4.170 0.002 0.000 0.245 292 I C 2.306 178.424 176.117 0.001 0.000 1.100 292 I CA 1.279 62.574 61.300 -0.008 0.000 1.374 292 I CB -0.219 37.800 38.000 0.032 0.000 1.057 292 I HN 0.072 nan 8.210 nan 0.000 0.413 293 I N 0.574 121.135 120.570 -0.015 0.000 2.202 293 I HA -0.273 3.898 4.170 0.002 0.000 0.242 293 I C 2.798 178.907 176.117 -0.013 0.000 1.091 293 I CA 1.312 62.613 61.300 0.002 0.000 1.368 293 I CB -0.494 37.504 38.000 -0.003 0.000 1.058 293 I HN 0.168 nan 8.210 nan 0.000 0.410 294 A N 0.498 123.298 122.820 -0.034 0.000 1.908 294 A HA -0.321 4.000 4.320 0.002 0.000 0.218 294 A C 1.996 179.565 177.584 -0.025 0.000 1.181 294 A CA 2.454 54.469 52.037 -0.037 0.000 0.627 294 A CB -0.806 18.161 19.000 -0.055 0.000 0.818 294 A HN 0.487 nan 8.150 nan 0.000 0.445 295 D N -0.998 119.389 120.400 -0.021 0.000 2.117 295 D HA -0.187 4.454 4.640 0.002 0.000 0.197 295 D C 2.100 178.397 176.300 -0.005 0.000 0.987 295 D CA 1.469 55.461 54.000 -0.013 0.000 0.829 295 D CB -0.067 40.727 40.800 -0.010 0.000 0.961 295 D HN 0.297 nan 8.370 nan 0.000 0.460 296 R N 0.051 120.552 120.500 0.002 0.000 2.092 296 R HA 0.042 4.383 4.340 0.002 0.000 0.231 296 R C 2.167 178.470 176.300 0.005 0.000 1.119 296 R CA 1.132 57.237 56.100 0.008 0.000 0.970 296 R CB -0.650 29.662 30.300 0.020 0.000 0.864 296 R HN 0.302 nan 8.270 nan 0.000 0.440 297 L N -0.343 120.881 121.223 0.001 0.000 2.217 297 L HA 0.048 4.389 4.340 0.002 0.000 0.211 297 L C 0.942 177.809 176.870 -0.006 0.000 1.107 297 L CA 0.607 55.445 54.840 -0.002 0.000 0.783 297 L CB -0.197 41.858 42.059 -0.006 0.000 0.919 297 L HN 0.179 nan 8.230 nan 0.000 0.442 298 M N 0.783 120.377 119.600 -0.009 0.000 3.396 298 M HA 0.356 4.837 4.480 0.002 0.000 0.255 298 M C -0.284 176.012 176.300 -0.007 0.000 1.398 298 M CA -0.110 55.184 55.300 -0.010 0.000 1.554 298 M CB 0.110 32.701 32.600 -0.015 0.000 1.070 298 M HN 0.113 nan 8.290 nan 0.000 0.587 299 A N 1.662 124.479 122.820 -0.004 0.000 2.587 299 A HA 0.737 5.058 4.320 0.002 0.000 0.293 299 A C -2.461 175.122 177.584 -0.002 0.000 1.087 299 A CA -1.166 50.870 52.037 -0.002 0.000 0.692 299 A CB 1.127 20.127 19.000 0.001 0.000 1.291 299 A HN 0.322 nan 8.150 nan 0.000 0.407 300 P HA -0.139 nan 4.420 nan 0.000 0.215 300 P C 0.870 178.170 177.300 -0.000 0.000 1.153 300 P CA 1.774 64.874 63.100 -0.001 0.000 0.853 300 P CB 0.043 31.742 31.700 -0.001 0.000 0.788 301 D N -0.392 120.009 120.400 0.001 0.000 2.123 301 D HA -0.128 4.513 4.640 0.002 0.000 0.196 301 D C 1.785 178.087 176.300 0.002 0.000 0.992 301 D CA 1.320 55.321 54.000 0.002 0.000 0.833 301 D CB -1.178 39.624 40.800 0.004 0.000 0.954 301 D HN 0.054 nan 8.370 nan 0.000 0.455 302 V N 1.350 121.266 119.914 0.002 0.000 2.379 302 V HA -0.093 4.027 4.120 0.002 0.000 0.245 302 V C 2.928 179.022 176.094 0.000 0.000 1.044 302 V CA 1.575 63.876 62.300 0.002 0.000 1.036 302 V CB -0.882 30.942 31.823 0.002 0.000 0.664 302 V HN 0.391 nan 8.190 nan 0.000 0.453 303 A N -0.072 122.747 122.820 -0.001 0.000 1.908 303 A HA -0.255 4.066 4.320 0.002 0.000 0.218 303 A C 2.270 179.853 177.584 -0.001 0.000 1.181 303 A CA 2.004 54.040 52.037 -0.002 0.000 0.627 303 A CB -0.464 18.535 19.000 -0.003 0.000 0.818 303 A HN 0.528 nan 8.150 nan 0.000 0.445 304 K N -0.417 119.982 120.400 -0.001 0.000 2.209 304 K HA -0.017 4.304 4.320 0.002 0.000 0.204 304 K C 1.860 178.460 176.600 0.000 0.000 1.048 304 K CA 0.913 57.200 56.287 -0.001 0.000 0.940 304 K CB -0.245 32.255 32.500 -0.000 0.000 0.729 304 K HN 0.451 nan 8.250 nan 0.000 0.451 305 A N 0.467 123.287 122.820 0.001 0.000 2.235 305 A HA 0.149 4.470 4.320 0.002 0.000 0.208 305 A C 1.224 178.808 177.584 -0.000 0.000 1.172 305 A CA 0.851 52.889 52.037 0.001 0.000 0.786 305 A CB -0.277 18.724 19.000 0.002 0.000 0.804 305 A HN 0.402 nan 8.150 nan 0.000 0.479 306 G N -1.752 107.048 108.800 -0.001 0.000 2.140 306 G HA2 -0.111 3.850 3.960 0.002 0.000 0.211 306 G HA3 -0.111 3.850 3.960 0.002 0.000 0.211 306 G C -0.130 174.768 174.900 -0.003 0.000 1.013 306 G CA 0.022 45.121 45.100 -0.002 0.000 0.705 306 G HN 0.848 nan 8.290 nan 0.000 0.508 307 V N 0.863 120.775 119.914 -0.003 0.000 2.604 307 V HA 0.895 5.016 4.120 0.002 0.000 0.305 307 V C 0.481 176.573 176.094 -0.004 0.000 1.043 307 V CA 0.090 62.387 62.300 -0.005 0.000 0.888 307 V CB 1.910 33.731 31.823 -0.004 0.000 0.995 307 V HN 1.162 nan 8.190 nan 0.000 0.429 308 S N 3.171 118.867 115.700 -0.006 0.000 2.697 308 S HA 0.825 5.296 4.470 0.002 0.000 0.289 308 S C -1.120 173.473 174.600 -0.011 0.000 1.149 308 S CA -0.813 57.385 58.200 -0.003 0.000 0.850 308 S CB 2.039 65.244 63.200 0.009 0.000 1.151 308 S HN 0.396 nan 8.310 nan 0.000 0.491 309 V N 1.988 121.896 119.914 -0.009 0.000 2.384 309 V HA 0.390 4.511 4.120 0.002 0.000 0.287 309 V C -0.193 175.898 176.094 -0.006 0.000 1.020 309 V CA -0.796 61.490 62.300 -0.024 0.000 0.850 309 V CB 1.454 33.258 31.823 -0.032 0.000 0.987 309 V HN 0.803 nan 8.190 nan 0.000 0.436 310 V N 5.471 125.363 119.914 -0.036 0.000 2.557 310 V HA 0.136 4.257 4.120 0.002 0.000 0.301 310 V C 1.292 177.410 176.094 0.040 0.000 1.026 310 V CA 1.258 63.548 62.300 -0.017 0.000 1.137 310 V CB 0.461 32.175 31.823 -0.181 0.000 0.917 310 V HN 1.460 nan 8.190 nan 0.000 0.484 311 S N 2.523 118.367 115.700 0.241 0.000 2.929 311 S HA -0.196 4.275 4.470 0.002 0.000 0.271 311 S C 1.260 175.837 174.600 -0.038 0.000 1.295 311 S CA 1.078 59.302 58.200 0.040 0.000 1.277 311 S CB -1.981 61.171 63.200 -0.081 0.000 1.557 311 S HN 2.844 nan 8.310 nan 0.000 0.666 312 G N -0.030 108.759 108.800 -0.018 0.000 2.221 312 G HA2 0.345 4.306 3.960 0.002 0.000 0.265 312 G HA3 0.345 4.306 3.960 0.002 0.000 0.265 312 G C 1.081 175.947 174.900 -0.057 0.000 1.041 312 G CA 0.663 45.739 45.100 -0.039 0.000 0.807 312 G HN 2.729 nan 8.290 nan 0.000 0.502 313 G N -2.748 106.008 108.800 -0.072 0.000 2.339 313 G HA2 0.666 4.627 3.960 0.002 0.000 0.275 313 G HA3 0.666 4.627 3.960 0.002 0.000 0.275 313 G C -0.639 174.189 174.900 -0.120 0.000 1.323 313 G CA 0.666 45.715 45.100 -0.084 0.000 0.927 313 G HN 1.868 nan 8.290 nan 0.000 0.486 314 T N -1.061 113.422 114.554 -0.118 0.000 2.889 314 T HA 0.589 4.940 4.350 0.002 0.000 0.315 314 T C -1.317 173.317 174.700 -0.111 0.000 1.291 314 T CA -0.073 61.941 62.100 -0.144 0.000 1.028 314 T CB 1.870 70.655 68.868 -0.138 0.000 1.235 314 T HN 0.378 nan 8.240 nan 0.000 0.491 315 D N 1.802 122.134 120.400 -0.113 0.000 2.513 315 D HA 0.256 4.897 4.640 0.002 0.000 0.222 315 D C 0.833 177.146 176.300 0.021 0.000 1.210 315 D CA 0.350 54.316 54.000 -0.057 0.000 0.825 315 D CB 1.035 41.788 40.800 -0.079 0.000 1.037 315 D HN 0.495 nan 8.370 nan 0.000 0.506 316 V N -1.415 118.517 119.914 0.029 0.000 3.204 316 V HA 0.365 4.486 4.120 0.002 0.000 0.308 316 V C 1.016 177.190 176.094 0.133 0.000 1.324 316 V CA -0.702 61.708 62.300 0.183 0.000 1.042 316 V CB 1.358 33.355 31.823 0.291 0.000 1.167 316 V HN 0.077 nan 8.190 nan 0.000 0.478 317 H N 1.133 120.296 119.070 0.154 0.000 2.566 317 H HA 0.464 5.021 4.556 0.002 0.000 0.280 317 H C -0.224 175.142 175.328 0.063 0.000 1.042 317 H CA 0.415 56.518 56.048 0.092 0.000 1.168 317 H CB -0.426 29.421 29.762 0.142 0.000 1.340 317 H HN 0.659 nan 8.280 nan 0.000 0.597 318 L N -2.395 118.691 121.223 -0.229 0.000 2.479 318 L HA 0.708 5.049 4.340 0.002 0.000 0.255 318 L C -1.237 175.534 176.870 -0.164 0.000 1.026 318 L CA -1.517 53.201 54.840 -0.203 0.000 0.842 318 L CB 1.938 43.831 42.059 -0.276 0.000 1.444 318 L HN -0.213 nan 8.230 nan 0.000 0.409 319 V N 1.621 121.462 119.914 -0.122 0.000 2.588 319 V HA 0.554 4.675 4.120 0.002 0.000 0.304 319 V C -0.444 175.588 176.094 -0.104 0.000 1.042 319 V CA -0.479 61.753 62.300 -0.112 0.000 0.877 319 V CB 1.775 33.552 31.823 -0.076 0.000 0.996 319 V HN 0.688 nan 8.190 nan 0.000 0.425 320 L N 4.957 126.107 121.223 -0.122 0.000 2.265 320 L HA 0.591 4.932 4.340 0.002 0.000 0.289 320 L C -0.519 176.298 176.870 -0.088 0.000 1.033 320 L CA -0.660 54.113 54.840 -0.110 0.000 0.814 320 L CB 1.603 43.575 42.059 -0.145 0.000 1.203 320 L HN 0.364 nan 8.230 nan 0.000 0.423 321 V N 1.821 121.696 119.914 -0.065 0.000 2.481 321 V HA 0.268 4.389 4.120 0.002 0.000 0.286 321 V C -0.232 175.830 176.094 -0.053 0.000 1.042 321 V CA -0.497 61.774 62.300 -0.049 0.000 0.928 321 V CB 1.938 33.743 31.823 -0.030 0.000 0.986 321 V HN 0.616 nan 8.190 nan 0.000 0.462 322 D N 3.889 124.260 120.400 -0.048 0.000 2.349 322 D HA 0.390 5.031 4.640 0.002 0.000 0.232 322 D C 0.236 176.519 176.300 -0.029 0.000 1.071 322 D CA -0.230 53.741 54.000 -0.048 0.000 0.832 322 D CB 1.739 42.507 40.800 -0.053 0.000 1.086 322 D HN 0.431 nan 8.370 nan 0.000 0.504 323 L N 3.924 125.131 121.223 -0.026 0.000 2.693 323 L HA 0.172 4.513 4.340 0.002 0.000 0.235 323 L C 2.387 179.249 176.870 -0.014 0.000 1.127 323 L CA -0.223 54.607 54.840 -0.017 0.000 0.914 323 L CB 0.130 42.180 42.059 -0.014 0.000 1.193 323 L HN 0.352 nan 8.230 nan 0.000 0.502 324 R N -0.315 120.175 120.500 -0.017 0.000 2.120 324 R HA -0.144 4.197 4.340 0.002 0.000 0.234 324 R C 0.646 176.941 176.300 -0.009 0.000 1.123 324 R CA 1.620 57.711 56.100 -0.014 0.000 0.975 324 R CB -0.406 29.884 30.300 -0.017 0.000 0.866 324 R HN 0.183 nan 8.270 nan 0.000 0.446 325 D N 1.183 121.579 120.400 -0.007 0.000 2.349 325 D HA -0.007 4.634 4.640 0.002 0.000 0.224 325 D C 0.469 176.767 176.300 -0.004 0.000 1.029 325 D CA 0.674 54.671 54.000 -0.004 0.000 0.879 325 D CB 0.395 41.193 40.800 -0.003 0.000 0.906 325 D HN 0.385 nan 8.370 nan 0.000 0.528 326 S N -0.161 115.537 115.700 -0.004 0.000 2.745 326 S HA 0.436 4.907 4.470 0.002 0.000 0.292 326 S C -1.806 172.793 174.600 -0.002 0.000 1.133 326 S CA -1.051 57.148 58.200 -0.002 0.000 0.998 326 S CB 2.146 65.345 63.200 -0.002 0.000 1.087 326 S HN -0.296 nan 8.310 nan 0.000 0.551 327 P HA 0.152 nan 4.420 nan 0.000 0.222 327 P C -0.286 177.013 177.300 -0.001 0.000 1.147 327 P CA 0.760 63.860 63.100 -0.000 0.000 0.790 327 P CB -0.138 31.563 31.700 0.001 0.000 0.780 328 L N 0.937 122.159 121.223 -0.000 0.000 2.276 328 L HA 0.226 4.567 4.340 0.002 0.000 0.286 328 L C 0.634 177.502 176.870 -0.004 0.000 1.061 328 L CA -1.054 53.786 54.840 0.000 0.000 0.807 328 L CB 0.522 42.583 42.059 0.003 0.000 1.177 328 L HN -0.042 nan 8.230 nan 0.000 0.429 329 D N 1.929 122.326 120.400 -0.005 0.000 2.411 329 D HA 0.148 4.789 4.640 0.002 0.000 0.251 329 D C 1.261 177.556 176.300 -0.007 0.000 1.201 329 D CA -0.226 53.769 54.000 -0.008 0.000 0.996 329 D CB 0.930 41.724 40.800 -0.010 0.000 1.101 329 D HN 0.474 nan 8.370 nan 0.000 0.504 330 G N -0.766 108.027 108.800 -0.011 0.000 2.446 330 G HA2 -0.366 3.595 3.960 0.002 0.000 0.217 330 G HA3 -0.366 3.595 3.960 0.002 0.000 0.217 330 G C 1.379 176.277 174.900 -0.005 0.000 1.168 330 G CA 1.172 46.267 45.100 -0.010 0.000 0.771 330 G HN 0.566 nan 8.290 nan 0.000 0.551 331 Q N 0.720 120.516 119.800 -0.007 0.000 2.084 331 Q HA 0.078 4.419 4.340 0.002 0.000 0.202 331 Q C 2.665 178.664 176.000 -0.002 0.000 0.978 331 Q CA 2.002 57.801 55.803 -0.007 0.000 0.844 331 Q CB -0.623 28.108 28.738 -0.011 0.000 0.898 331 Q HN 0.385 nan 8.270 nan 0.000 0.426 332 A N 0.134 122.954 122.820 -0.000 0.000 1.902 332 A HA -0.046 4.275 4.320 0.002 0.000 0.217 332 A C 2.278 179.870 177.584 0.013 0.000 1.181 332 A CA 1.864 53.904 52.037 0.005 0.000 0.623 332 A CB -1.158 17.845 19.000 0.004 0.000 0.818 332 A HN 0.521 nan 8.150 nan 0.000 0.443 333 A N -0.403 122.424 122.820 0.011 0.000 1.898 333 A HA -0.159 4.162 4.320 0.002 0.000 0.216 333 A C 2.033 179.634 177.584 0.028 0.000 1.181 333 A CA 1.747 53.794 52.037 0.017 0.000 0.620 333 A CB -0.557 18.449 19.000 0.011 0.000 0.819 333 A HN 0.675 nan 8.150 nan 0.000 0.442 334 E N -0.115 120.100 120.200 0.024 0.000 2.058 334 E HA -0.267 4.084 4.350 0.002 0.000 0.194 334 E C 1.266 177.897 176.600 0.052 0.000 0.997 334 E CA 1.586 58.007 56.400 0.035 0.000 0.801 334 E CB -0.158 29.553 29.700 0.019 0.000 0.746 334 E HN 0.535 nan 8.360 nan 0.000 0.450 335 D N 0.474 120.894 120.400 0.034 0.000 2.117 335 D HA -0.158 4.483 4.640 0.002 0.000 0.197 335 D C 1.997 178.348 176.300 0.086 0.000 0.987 335 D CA 0.622 54.647 54.000 0.042 0.000 0.829 335 D CB -0.357 40.451 40.800 0.013 0.000 0.961 335 D HN 0.191 nan 8.370 nan 0.000 0.460 336 L N 0.696 121.956 121.223 0.061 0.000 2.012 336 L HA -0.119 4.222 4.340 0.002 0.000 0.210 336 L C 2.131 179.043 176.870 0.070 0.000 1.073 336 L CA 1.470 56.346 54.840 0.059 0.000 0.748 336 L CB -0.636 41.446 42.059 0.039 0.000 0.891 336 L HN 0.020 nan 8.230 nan 0.000 0.431 337 L N -1.233 120.033 121.223 0.073 0.000 2.131 337 L HA -0.243 4.098 4.340 0.002 0.000 0.210 337 L C 2.580 179.505 176.870 0.091 0.000 1.092 337 L CA 1.443 56.326 54.840 0.071 0.000 0.759 337 L CB -0.746 41.352 42.059 0.064 0.000 0.903 337 L HN 0.478 nan 8.230 nan 0.000 0.435 338 H N 0.209 119.295 119.070 0.027 0.000 2.387 338 H HA -0.160 4.397 4.556 0.001 0.000 0.299 338 H C 2.120 177.464 175.328 0.027 0.000 1.090 338 H CA 1.504 57.569 56.048 0.028 0.000 1.332 338 H CB 0.281 30.058 29.762 0.025 0.000 1.386 338 H HN 0.185 nan 8.280 nan 0.000 0.516 339 E N 0.194 120.446 120.200 0.087 0.000 2.268 339 E HA -0.083 4.268 4.350 0.002 0.000 0.195 339 E C 1.916 178.505 176.600 -0.019 0.000 0.995 339 E CA 1.139 57.555 56.400 0.026 0.000 0.836 339 E CB 0.016 29.756 29.700 0.065 0.000 0.763 339 E HN 0.593 nan 8.360 nan 0.000 0.491 340 V N -2.953 116.956 119.914 -0.007 0.000 3.421 340 V HA 0.483 4.604 4.120 0.002 0.000 0.316 340 V C 1.103 177.187 176.094 -0.017 0.000 1.347 340 V CA 0.515 62.812 62.300 -0.005 0.000 1.183 340 V CB -0.175 31.657 31.823 0.016 0.000 1.092 340 V HN 0.199 nan 8.190 nan 0.000 0.433 341 G N 0.839 109.601 108.800 -0.064 0.000 2.141 341 G HA2 -0.210 3.751 3.960 0.002 0.000 0.242 341 G HA3 -0.210 3.751 3.960 0.002 0.000 0.242 341 G C -0.194 174.690 174.900 -0.026 0.000 0.982 341 G CA 0.266 45.326 45.100 -0.068 0.000 0.662 341 G HN 0.637 nan 8.290 nan 0.000 0.527 342 I N 1.497 122.065 120.570 -0.003 0.000 2.406 342 I HA 0.385 4.556 4.170 0.002 0.000 0.290 342 I C -0.010 176.147 176.117 0.068 0.000 0.999 342 I CA -0.737 60.587 61.300 0.040 0.000 1.124 342 I CB 2.118 40.150 38.000 0.054 0.000 1.289 342 I HN -0.010 nan 8.210 nan 0.000 0.441 343 T N 6.331 120.932 114.554 0.078 0.000 2.733 343 T HA 0.499 4.850 4.350 0.002 0.000 0.294 343 T C 0.092 174.839 174.700 0.078 0.000 0.956 343 T CA -0.498 61.663 62.100 0.101 0.000 0.987 343 T CB 0.953 69.884 68.868 0.104 0.000 0.920 343 T HN 0.455 nan 8.240 nan 0.000 0.470 344 V N 1.219 121.178 119.914 0.075 0.000 3.139 344 V HA 0.805 4.926 4.120 0.002 0.000 0.310 344 V C -1.006 175.119 176.094 0.052 0.000 1.260 344 V CA -1.350 60.985 62.300 0.059 0.000 1.064 344 V CB 2.330 34.183 31.823 0.050 0.000 1.160 344 V HN 0.884 nan 8.190 nan 0.000 0.470 345 N N 0.269 118.994 118.700 0.042 0.000 2.284 345 N HA 0.389 5.130 4.740 0.002 0.000 0.289 345 N C -0.668 174.853 175.510 0.019 0.000 1.179 345 N CA -0.850 52.219 53.050 0.032 0.000 0.774 345 N CB 2.650 41.160 38.487 0.038 0.000 1.548 345 N HN 1.044 nan 8.380 nan 0.000 0.473 346 R N 1.076 121.582 120.500 0.010 0.000 2.734 346 R HA 0.225 4.566 4.340 0.002 0.000 0.266 346 R C -0.766 175.530 176.300 -0.007 0.000 1.044 346 R CA -0.229 55.870 56.100 -0.002 0.000 1.128 346 R CB 0.347 30.643 30.300 -0.006 0.000 1.010 346 R HN 0.761 nan 8.270 nan 0.000 0.461 347 N N 0.426 119.115 118.700 -0.018 0.000 2.406 347 N HA 0.209 4.950 4.740 0.002 0.000 0.283 347 N C -1.602 173.883 175.510 -0.041 0.000 1.074 347 N CA -0.458 52.576 53.050 -0.027 0.000 0.916 347 N CB 2.304 40.773 38.487 -0.030 0.000 1.639 347 N HN 0.798 nan 8.380 nan 0.000 0.485 348 A N 2.106 124.899 122.820 -0.046 0.000 2.477 348 A HA 0.394 4.715 4.320 0.002 0.000 0.246 348 A C 0.643 178.184 177.584 -0.073 0.000 1.078 348 A CA -0.308 51.695 52.037 -0.056 0.000 0.770 348 A CB 0.112 19.078 19.000 -0.057 0.000 1.011 348 A HN 0.475 nan 8.150 nan 0.000 0.494 349 V N 0.143 120.007 119.914 -0.082 0.000 2.973 349 V HA 0.650 4.771 4.120 0.002 0.000 0.314 349 V C -2.722 173.302 176.094 -0.117 0.000 1.066 349 V CA -2.656 59.572 62.300 -0.119 0.000 1.021 349 V CB 0.802 32.555 31.823 -0.117 0.000 1.076 349 V HN 0.679 nan 8.190 nan 0.000 0.462 350 P HA 0.191 nan 4.420 nan 0.000 0.263 350 P C -0.226 177.042 177.300 -0.053 0.000 1.195 350 P CA 0.430 63.468 63.100 -0.104 0.000 0.762 350 P CB -0.096 31.525 31.700 -0.132 0.000 0.799 351 N N 0.485 119.166 118.700 -0.032 0.000 2.727 351 N HA -0.198 4.543 4.740 0.002 0.000 0.249 351 N C -0.185 175.308 175.510 -0.029 0.000 1.048 351 N CA 0.871 53.908 53.050 -0.022 0.000 0.714 351 N CB -1.189 37.296 38.487 -0.003 0.000 0.959 351 N HN 0.568 nan 8.380 nan 0.000 0.544 352 D N 1.199 121.575 120.400 -0.040 0.000 2.487 352 D HA 0.024 4.665 4.640 0.002 0.000 0.243 352 D C -0.556 175.726 176.300 -0.031 0.000 1.154 352 D CA -0.828 53.149 54.000 -0.039 0.000 0.876 352 D CB 0.866 41.638 40.800 -0.047 0.000 1.161 352 D HN 0.225 nan 8.370 nan 0.000 0.478 353 P HA 0.019 nan 4.420 nan 0.000 0.231 353 P C 0.279 177.566 177.300 -0.021 0.000 1.168 353 P CA 0.240 63.327 63.100 -0.021 0.000 0.779 353 P CB 0.610 32.300 31.700 -0.016 0.000 0.844 354 R N 0.824 121.309 120.500 -0.024 0.000 2.528 354 R HA 0.435 4.776 4.340 0.002 0.000 0.271 354 R C -2.182 174.102 176.300 -0.027 0.000 1.056 354 R CA -2.199 53.887 56.100 -0.023 0.000 1.117 354 R CB -0.932 29.354 30.300 -0.023 0.000 1.085 354 R HN 0.006 nan 8.270 nan 0.000 0.530 355 P HA 0.099 nan 4.420 nan 0.000 0.269 355 P C -2.093 175.188 177.300 -0.033 0.000 1.209 355 P CA -1.155 61.928 63.100 -0.028 0.000 0.776 355 P CB 0.312 31.997 31.700 -0.024 0.000 0.876 356 P HA -0.039 nan 4.420 nan 0.000 0.219 356 P C 1.295 178.572 177.300 -0.038 0.000 1.146 356 P CA 1.699 64.773 63.100 -0.044 0.000 0.808 356 P CB -0.232 31.435 31.700 -0.054 0.000 0.779 357 M N -2.225 117.355 119.600 -0.033 0.000 2.558 357 M HA -0.029 4.452 4.480 0.002 0.000 0.255 357 M C 1.265 177.551 176.300 -0.024 0.000 1.113 357 M CA 0.854 56.137 55.300 -0.028 0.000 1.097 357 M CB 0.034 32.618 32.600 -0.026 0.000 1.426 357 M HN -0.161 nan 8.290 nan 0.000 0.488 358 V N -1.466 118.433 119.914 -0.024 0.000 2.743 358 V HA 0.070 4.191 4.120 0.002 0.000 0.237 358 V C 0.854 176.935 176.094 -0.021 0.000 1.113 358 V CA 1.184 63.472 62.300 -0.020 0.000 1.141 358 V CB 0.118 31.930 31.823 -0.019 0.000 0.873 358 V HN 0.674 nan 8.190 nan 0.000 0.486 359 T N -0.575 113.964 114.554 -0.026 0.000 0.541 359 T HA -0.232 4.119 4.350 0.002 0.000 0.774 359 T C 0.072 174.756 174.700 -0.027 0.000 0.992 359 T CA 0.346 62.428 62.100 -0.029 0.000 4.077 359 T CB -1.413 67.437 68.868 -0.031 0.000 2.303 359 T HN 0.441 nan 8.240 nan 0.000 0.398 360 S N 1.350 117.031 115.700 -0.032 0.000 2.624 360 S HA 0.640 5.111 4.470 0.002 0.000 0.246 360 S C 0.625 175.204 174.600 -0.034 0.000 1.072 360 S CA -0.139 58.043 58.200 -0.030 0.000 1.045 360 S CB 0.604 63.786 63.200 -0.030 0.000 0.851 360 S HN 1.264 nan 8.310 nan 0.000 0.480 361 G N 0.731 109.510 108.800 -0.034 0.000 2.687 361 G HA2 0.740 4.701 3.960 0.002 0.000 0.291 361 G HA3 0.740 4.701 3.960 0.002 0.000 0.291 361 G C -1.835 173.048 174.900 -0.027 0.000 1.420 361 G CA -0.676 44.402 45.100 -0.038 0.000 0.796 361 G HN 0.239 nan 8.290 nan 0.000 0.485 362 L N -0.232 120.974 121.223 -0.028 0.000 2.371 362 L HA 0.672 5.013 4.340 0.002 0.000 0.262 362 L C -0.109 176.746 176.870 -0.025 0.000 1.006 362 L CA -0.985 53.845 54.840 -0.016 0.000 0.818 362 L CB 2.733 44.788 42.059 -0.005 0.000 1.354 362 L HN 0.521 nan 8.230 nan 0.000 0.415 363 R N 2.570 123.063 120.500 -0.011 0.000 2.343 363 R HA 0.678 5.019 4.340 0.002 0.000 0.320 363 R C -1.496 174.808 176.300 0.007 0.000 0.956 363 R CA -0.431 55.660 56.100 -0.014 0.000 0.836 363 R CB 1.038 31.337 30.300 -0.002 0.000 1.151 363 R HN 0.588 nan 8.270 nan 0.000 0.450 364 I N 3.722 124.289 120.570 -0.005 0.000 2.418 364 I HA 0.408 4.579 4.170 0.002 0.000 0.287 364 I C 0.349 176.473 176.117 0.011 0.000 1.008 364 I CA -0.853 60.456 61.300 0.015 0.000 1.104 364 I CB 2.153 40.160 38.000 0.012 0.000 1.264 364 I HN 0.710 nan 8.210 nan 0.000 0.438 365 G N 2.091 110.919 108.800 0.047 0.000 2.454 365 G HA2 0.501 4.462 3.960 0.002 0.000 0.329 365 G HA3 0.501 4.462 3.960 0.002 0.000 0.329 365 G C 0.439 175.386 174.900 0.077 0.000 1.177 365 G CA -0.277 44.865 45.100 0.069 0.000 0.951 365 G HN 0.625 nan 8.290 nan 0.000 0.485 366 T N -2.011 112.583 114.554 0.066 0.000 3.001 366 T HA 0.234 4.585 4.350 0.002 0.000 0.251 366 T C -0.800 173.973 174.700 0.122 0.000 1.040 366 T CA 0.029 62.165 62.100 0.059 0.000 0.985 366 T CB 0.281 68.985 68.868 -0.274 0.000 1.011 366 T HN 0.247 nan 8.240 nan 0.000 0.509 367 P HA 0.001 nan 4.420 nan 0.000 0.215 367 P C 1.879 179.196 177.300 0.029 0.000 1.157 367 P CA 1.732 64.864 63.100 0.053 0.000 0.868 367 P CB -0.338 31.374 31.700 0.019 0.000 0.788 368 A N -0.619 122.185 122.820 -0.027 0.000 1.877 368 A HA -0.169 4.152 4.320 0.002 0.000 0.216 368 A C 2.269 179.889 177.584 0.060 0.000 1.186 368 A CA 1.539 53.512 52.037 -0.106 0.000 0.620 368 A CB -1.663 17.132 19.000 -0.342 0.000 0.822 368 A HN 0.113 nan 8.150 nan 0.000 0.443 369 L N -0.962 120.242 121.223 -0.031 0.000 2.141 369 L HA -0.151 4.190 4.340 0.002 0.000 0.209 369 L C 3.079 179.830 176.870 -0.198 0.000 1.094 369 L CA 0.858 55.486 54.840 -0.353 0.000 0.763 369 L CB -0.549 41.116 42.059 -0.657 0.000 0.908 369 L HN 0.454 nan 8.230 nan 0.000 0.437 370 A N -0.164 122.742 122.820 0.144 0.000 1.902 370 A HA -0.200 4.121 4.320 0.002 0.000 0.217 370 A C 2.354 179.990 177.584 0.086 0.000 1.181 370 A CA 2.308 54.457 52.037 0.186 0.000 0.623 370 A CB -0.915 18.214 19.000 0.215 0.000 0.818 370 A HN 0.365 nan 8.150 nan 0.000 0.443 371 T N -0.735 113.868 114.554 0.081 0.000 2.759 371 T HA -0.174 4.177 4.350 0.002 0.000 0.269 371 T C 1.978 176.732 174.700 0.091 0.000 1.042 371 T CA 1.640 63.801 62.100 0.102 0.000 1.140 371 T CB -0.229 68.736 68.868 0.162 0.000 0.864 371 T HN 0.564 nan 8.240 nan 0.000 0.455 372 R N 0.338 120.874 120.500 0.060 0.000 2.235 372 R HA 0.049 4.390 4.340 0.002 0.000 0.213 372 R C 1.556 177.914 176.300 0.097 0.000 1.059 372 R CA 1.012 57.106 56.100 -0.011 0.000 0.997 372 R CB -0.040 30.185 30.300 -0.126 0.000 0.884 372 R HN 0.520 nan 8.270 nan 0.000 0.462 373 G N -1.225 107.632 108.800 0.094 0.000 2.205 373 G HA2 -0.187 3.774 3.960 0.002 0.000 0.180 373 G HA3 -0.187 3.774 3.960 0.002 0.000 0.180 373 G C -0.235 174.699 174.900 0.056 0.000 1.004 373 G CA -0.488 44.714 45.100 0.171 0.000 0.670 373 G HN 0.109 nan 8.290 nan 0.000 0.496 374 F N 1.781 121.448 119.950 -0.472 0.000 2.572 374 F HA 0.528 5.056 4.527 0.001 0.000 0.370 374 F C 1.334 176.958 175.800 -0.294 0.000 1.103 374 F CA 0.478 58.048 58.000 -0.718 0.000 1.286 374 F CB 0.977 39.284 39.000 -1.156 0.000 1.105 374 F HN 0.236 nan 8.300 nan 0.000 0.583 375 G N 1.802 110.551 108.800 -0.085 0.000 3.209 375 G HA2 0.232 4.193 3.960 0.002 0.000 0.236 375 G HA3 0.232 4.193 3.960 0.002 0.000 0.236 375 G C 0.175 175.172 174.900 0.161 0.000 1.329 375 G CA -0.494 44.678 45.100 0.120 0.000 1.015 375 G HN 0.395 nan 8.290 nan 0.000 0.571 376 D N -0.279 120.223 120.400 0.170 0.000 2.123 376 D HA -0.079 4.562 4.640 0.002 0.000 0.196 376 D C 2.638 178.993 176.300 0.093 0.000 0.992 376 D CA 1.800 55.901 54.000 0.168 0.000 0.833 376 D CB -0.297 40.565 40.800 0.103 0.000 0.954 376 D HN 0.290 nan 8.370 nan 0.000 0.455 377 T N 0.867 115.434 114.554 0.022 0.000 2.684 377 T HA -0.159 4.192 4.350 0.002 0.000 0.267 377 T C 1.755 176.395 174.700 -0.099 0.000 1.036 377 T CA 1.433 63.518 62.100 -0.024 0.000 1.148 377 T CB -0.194 68.657 68.868 -0.028 0.000 0.863 377 T HN 0.141 nan 8.240 nan 0.000 0.436 378 E N 0.561 120.608 120.200 -0.255 0.000 2.072 378 E HA 0.034 4.385 4.350 0.002 0.000 0.191 378 E C 1.794 178.208 176.600 -0.309 0.000 0.985 378 E CA 0.776 56.851 56.400 -0.541 0.000 0.801 378 E CB -0.460 28.437 29.700 -1.338 0.000 0.750 378 E HN 0.448 nan 8.360 nan 0.000 0.452 379 F N 0.818 120.750 119.950 -0.030 0.000 2.216 379 F HA -0.140 4.388 4.527 0.001 0.000 0.300 379 F C 2.294 178.109 175.800 0.025 0.000 1.085 379 F CA 1.236 59.273 58.000 0.061 0.000 1.326 379 F CB -0.814 38.230 39.000 0.073 0.000 1.027 379 F HN -0.018 nan 8.300 nan 0.000 0.497 380 T N -0.856 113.789 114.554 0.151 0.000 2.746 380 T HA -0.223 4.127 4.350 0.002 0.000 0.267 380 T C 1.831 176.565 174.700 0.055 0.000 1.039 380 T CA 1.640 63.792 62.100 0.086 0.000 1.142 380 T CB -0.213 68.686 68.868 0.052 0.000 0.866 380 T HN 0.174 nan 8.240 nan 0.000 0.444 381 E N 1.323 121.535 120.200 0.019 0.000 2.047 381 E HA -0.107 4.244 4.350 0.002 0.000 0.191 381 E C 2.285 178.909 176.600 0.040 0.000 0.987 381 E CA 1.432 57.836 56.400 0.006 0.000 0.799 381 E CB -0.472 29.201 29.700 -0.044 0.000 0.752 381 E HN 0.411 nan 8.360 nan 0.000 0.449 382 V N -0.874 119.085 119.914 0.076 0.000 2.427 382 V HA -0.083 4.038 4.120 0.002 0.000 0.248 382 V C 2.314 178.478 176.094 0.116 0.000 1.051 382 V CA 1.734 64.108 62.300 0.123 0.000 1.048 382 V CB -1.225 30.722 31.823 0.207 0.000 0.666 382 V HN 0.312 nan 8.190 nan 0.000 0.456 383 A N 0.767 123.662 122.820 0.126 0.000 1.883 383 A HA -0.309 4.012 4.320 0.002 0.000 0.217 383 A C 1.992 179.611 177.584 0.059 0.000 1.186 383 A CA 2.423 54.515 52.037 0.091 0.000 0.624 383 A CB -1.072 17.979 19.000 0.085 0.000 0.822 383 A HN 0.644 nan 8.150 nan 0.000 0.444 384 D N -0.336 120.095 120.400 0.051 0.000 2.117 384 D HA -0.113 4.528 4.640 0.002 0.000 0.197 384 D C 1.745 178.065 176.300 0.034 0.000 0.987 384 D CA 1.341 55.362 54.000 0.035 0.000 0.829 384 D CB -0.227 40.589 40.800 0.027 0.000 0.961 384 D HN 0.505 nan 8.370 nan 0.000 0.460 385 I N 0.192 120.786 120.570 0.040 0.000 2.118 385 I HA -0.293 3.878 4.170 0.002 0.000 0.241 385 I C 2.355 178.495 176.117 0.038 0.000 1.070 385 I CA 0.968 62.291 61.300 0.038 0.000 1.327 385 I CB -0.341 37.686 38.000 0.045 0.000 1.034 385 I HN 0.105 nan 8.210 nan 0.000 0.405 386 I N 0.775 121.373 120.570 0.047 0.000 2.127 386 I HA -0.315 3.856 4.170 0.002 0.000 0.241 386 I C 2.825 178.960 176.117 0.031 0.000 1.075 386 I CA 1.534 62.859 61.300 0.042 0.000 1.334 386 I CB -0.585 37.445 38.000 0.049 0.000 1.040 386 I HN 0.212 nan 8.210 nan 0.000 0.405 387 A N 0.279 123.116 122.820 0.029 0.000 1.908 387 A HA -0.219 4.102 4.320 0.002 0.000 0.218 387 A C 2.389 179.984 177.584 0.018 0.000 1.181 387 A CA 2.555 54.605 52.037 0.020 0.000 0.627 387 A CB -1.140 17.871 19.000 0.019 0.000 0.818 387 A HN 0.423 nan 8.150 nan 0.000 0.445 388 T N 0.222 114.788 114.554 0.020 0.000 2.737 388 T HA 0.010 4.361 4.350 0.002 0.000 0.265 388 T C 2.257 176.967 174.700 0.017 0.000 1.038 388 T CA 1.538 63.648 62.100 0.017 0.000 1.144 388 T CB -0.489 68.389 68.868 0.017 0.000 0.866 388 T HN 0.610 nan 8.240 nan 0.000 0.434 389 A N 1.399 124.231 122.820 0.020 0.000 1.908 389 A HA -0.021 4.300 4.320 0.002 0.000 0.218 389 A C 2.242 179.836 177.584 0.018 0.000 1.181 389 A CA 1.322 53.371 52.037 0.020 0.000 0.627 389 A CB -0.839 18.176 19.000 0.026 0.000 0.818 389 A HN 0.504 nan 8.150 nan 0.000 0.445 390 L N -1.593 119.640 121.223 0.017 0.000 2.313 390 L HA 0.003 4.343 4.340 0.002 0.000 0.214 390 L C 2.622 179.498 176.870 0.009 0.000 1.119 390 L CA 0.748 55.595 54.840 0.013 0.000 0.809 390 L CB -0.269 41.797 42.059 0.011 0.000 0.933 390 L HN 0.439 nan 8.230 nan 0.000 0.449 391 A N -0.495 122.331 122.820 0.010 0.000 2.197 391 A HA 0.007 4.328 4.320 0.002 0.000 0.210 391 A C 2.063 179.651 177.584 0.007 0.000 1.180 391 A CA 0.878 52.920 52.037 0.007 0.000 0.846 391 A CB -0.291 18.713 19.000 0.007 0.000 0.884 391 A HN 0.379 nan 8.150 nan 0.000 0.487 392 T N -3.680 110.879 114.554 0.009 0.000 3.107 392 T HA 0.428 4.779 4.350 0.002 0.000 0.249 392 T C 1.421 176.125 174.700 0.007 0.000 1.096 392 T CA 1.051 63.156 62.100 0.008 0.000 1.012 392 T CB -0.226 68.648 68.868 0.009 0.000 0.977 392 T HN 1.510 nan 8.240 nan 0.000 0.527 393 G N 2.374 111.179 108.800 0.008 0.000 2.596 393 G HA2 -0.395 3.566 3.960 0.002 0.000 0.295 393 G HA3 -0.395 3.566 3.960 0.002 0.000 0.295 393 G C 1.223 176.127 174.900 0.008 0.000 1.240 393 G CA 1.374 46.478 45.100 0.007 0.000 0.985 393 G HN 1.188 nan 8.290 nan 0.000 0.555 394 S N -0.828 114.876 115.700 0.007 0.000 2.547 394 S HA 0.146 4.617 4.470 0.002 0.000 0.235 394 S C 1.972 176.576 174.600 0.007 0.000 0.980 394 S CA 1.788 59.992 58.200 0.007 0.000 0.941 394 S CB 0.036 63.239 63.200 0.006 0.000 0.763 394 S HN 1.030 nan 8.310 nan 0.000 0.532 395 S N 0.863 116.568 115.700 0.007 0.000 2.593 395 S HA 0.239 4.710 4.470 0.002 0.000 0.217 395 S C 0.544 175.149 174.600 0.008 0.000 0.966 395 S CA -0.168 58.036 58.200 0.007 0.000 0.914 395 S CB -0.059 63.145 63.200 0.006 0.000 0.776 395 S HN 0.509 nan 8.310 nan 0.000 0.523 396 V N 3.132 123.052 119.914 0.010 0.000 2.720 396 V HA -0.009 4.112 4.120 0.002 0.000 0.307 396 V C -0.074 176.027 176.094 0.011 0.000 1.071 396 V CA 0.329 62.636 62.300 0.011 0.000 1.199 396 V CB 0.739 32.570 31.823 0.014 0.000 0.900 396 V HN 0.188 nan 8.190 nan 0.000 0.494 397 D N 5.393 125.799 120.400 0.011 0.000 2.499 397 D HA 0.217 4.858 4.640 0.002 0.000 0.225 397 D C 0.791 177.098 176.300 0.012 0.000 1.124 397 D CA -0.128 53.878 54.000 0.011 0.000 0.938 397 D CB 1.350 42.156 40.800 0.009 0.000 1.014 397 D HN 0.353 nan 8.370 nan 0.000 0.517 398 V N 2.753 122.675 119.914 0.013 0.000 2.407 398 V HA -0.199 3.922 4.120 0.002 0.000 0.248 398 V C 2.481 178.581 176.094 0.011 0.000 1.055 398 V CA 1.876 64.184 62.300 0.014 0.000 1.049 398 V CB -0.423 31.410 31.823 0.016 0.000 0.662 398 V HN 0.543 nan 8.190 nan 0.000 0.455 399 S N 0.183 115.888 115.700 0.009 0.000 2.356 399 S HA -0.197 4.274 4.470 0.002 0.000 0.223 399 S C 2.137 176.742 174.600 0.007 0.000 1.032 399 S CA 1.748 59.952 58.200 0.007 0.000 1.005 399 S CB -0.325 62.879 63.200 0.007 0.000 0.867 399 S HN 0.605 nan 8.310 nan 0.000 0.449 400 A N 1.284 124.109 122.820 0.008 0.000 1.933 400 A HA 0.106 4.427 4.320 0.002 0.000 0.218 400 A C 2.265 179.856 177.584 0.010 0.000 1.175 400 A CA 1.397 53.439 52.037 0.008 0.000 0.628 400 A CB -0.720 18.285 19.000 0.008 0.000 0.814 400 A HN 0.589 nan 8.150 nan 0.000 0.444 401 L N -0.889 120.341 121.223 0.012 0.000 2.072 401 L HA -0.132 4.209 4.340 0.002 0.000 0.205 401 L C 2.611 179.490 176.870 0.015 0.000 1.079 401 L CA 1.734 56.583 54.840 0.016 0.000 0.752 401 L CB -0.435 41.635 42.059 0.018 0.000 0.906 401 L HN 0.436 nan 8.230 nan 0.000 0.436 402 K N 0.309 120.716 120.400 0.011 0.000 2.057 402 K HA -0.212 4.109 4.320 0.002 0.000 0.207 402 K C 1.641 178.246 176.600 0.009 0.000 1.049 402 K CA 1.789 58.080 56.287 0.006 0.000 0.931 402 K CB 0.019 32.518 32.500 -0.001 0.000 0.714 402 K HN 0.195 nan 8.250 nan 0.000 0.440 403 D N 0.338 120.743 120.400 0.009 0.000 2.149 403 D HA -0.139 4.502 4.640 0.002 0.000 0.198 403 D C 1.979 178.287 176.300 0.014 0.000 0.990 403 D CA 1.103 55.109 54.000 0.010 0.000 0.839 403 D CB -0.027 40.778 40.800 0.007 0.000 0.948 403 D HN 0.243 nan 8.370 nan 0.000 0.460 404 R N 0.381 120.891 120.500 0.016 0.000 2.092 404 R HA 0.033 4.374 4.340 0.002 0.000 0.231 404 R C 2.258 178.576 176.300 0.029 0.000 1.119 404 R CA 1.139 57.250 56.100 0.018 0.000 0.970 404 R CB -0.176 30.134 30.300 0.017 0.000 0.864 404 R HN 0.100 nan 8.270 nan 0.000 0.440 405 A N 0.090 122.931 122.820 0.036 0.000 1.873 405 A HA -0.179 4.142 4.320 0.002 0.000 0.215 405 A C 2.218 179.839 177.584 0.061 0.000 1.186 405 A CA 2.020 54.089 52.037 0.055 0.000 0.616 405 A CB -0.929 18.098 19.000 0.044 0.000 0.823 405 A HN 0.349 nan 8.150 nan 0.000 0.442 406 T N -1.185 113.393 114.554 0.040 0.000 2.788 406 T HA -0.182 4.169 4.350 0.002 0.000 0.268 406 T C 2.064 176.791 174.700 0.045 0.000 1.044 406 T CA 1.674 63.797 62.100 0.039 0.000 1.139 406 T CB -0.349 68.531 68.868 0.020 0.000 0.867 406 T HN 0.530 nan 8.240 nan 0.000 0.454 407 R N -0.130 120.393 120.500 0.037 0.000 2.094 407 R HA -0.049 4.292 4.340 0.002 0.000 0.239 407 R C 2.530 178.866 176.300 0.060 0.000 1.137 407 R CA 1.759 57.879 56.100 0.033 0.000 0.943 407 R CB -0.511 29.799 30.300 0.017 0.000 0.850 407 R HN 0.438 nan 8.270 nan 0.000 0.433 408 L N 0.034 121.305 121.223 0.079 0.000 2.012 408 L HA -0.190 4.151 4.340 0.002 0.000 0.210 408 L C 2.731 179.762 176.870 0.267 0.000 1.073 408 L CA 1.457 56.379 54.840 0.136 0.000 0.748 408 L CB -0.585 41.531 42.059 0.096 0.000 0.891 408 L HN 0.365 nan 8.230 nan 0.000 0.431 409 A N -0.005 122.939 122.820 0.206 0.000 1.908 409 A HA -0.227 4.094 4.320 0.002 0.000 0.218 409 A C 2.365 180.031 177.584 0.136 0.000 1.181 409 A CA 1.677 53.822 52.037 0.179 0.000 0.627 409 A CB -0.504 18.558 19.000 0.102 0.000 0.818 409 A HN 0.351 nan 8.150 nan 0.000 0.445 410 R N -0.783 119.769 120.500 0.087 0.000 2.115 410 R HA 0.015 4.356 4.340 0.002 0.000 0.226 410 R C 2.302 178.609 176.300 0.011 0.000 1.100 410 R CA 0.984 57.106 56.100 0.037 0.000 0.980 410 R CB -0.343 29.966 30.300 0.014 0.000 0.875 410 R HN 0.506 nan 8.270 nan 0.000 0.445 411 A N 0.219 123.056 122.820 0.027 0.000 2.066 411 A HA -0.011 4.310 4.320 0.002 0.000 0.218 411 A C 0.444 177.807 177.584 -0.368 0.000 1.157 411 A CA 0.713 52.672 52.037 -0.131 0.000 0.670 411 A CB 0.112 19.051 19.000 -0.102 0.000 0.804 411 A HN 0.166 nan 8.150 nan 0.000 0.453 412 F N 0.384 120.347 119.950 0.022 0.000 2.449 412 F HA 0.340 4.868 4.527 0.001 0.000 0.344 412 F C -2.573 173.232 175.800 0.008 0.000 1.180 412 F CA -2.616 55.412 58.000 0.047 0.000 1.209 412 F CB 1.039 40.145 39.000 0.178 0.000 1.440 412 F HN -0.044 nan 8.300 nan 0.000 0.526 413 P HA 0.017 nan 4.420 nan 0.000 0.266 413 P C -0.651 176.627 177.300 -0.037 0.000 1.195 413 P CA -0.074 63.028 63.100 0.004 0.000 0.768 413 P CB 1.001 32.689 31.700 -0.020 0.000 0.838 414 L N 5.179 126.338 121.223 -0.107 0.000 2.307 414 L HA 0.382 4.723 4.340 0.002 0.000 0.284 414 L C -0.602 176.184 176.870 -0.140 0.000 1.023 414 L CA -0.406 54.271 54.840 -0.271 0.000 0.810 414 L CB -0.156 41.640 42.059 -0.438 0.000 1.231 414 L HN 0.322 nan 8.230 nan 0.000 0.423 415 Y N 1.881 122.144 120.300 -0.062 0.000 3.305 415 Y HA -0.262 4.289 4.550 0.001 0.000 0.212 415 Y C 0.273 176.064 175.900 -0.183 0.000 1.248 415 Y CA 0.869 58.936 58.100 -0.054 0.000 1.359 415 Y CB -2.071 36.321 38.460 -0.112 0.000 1.407 415 Y HN 0.712 nan 8.280 nan 0.000 0.572 416 D N 0.685 121.105 120.400 0.034 0.000 2.382 416 D HA 0.414 5.055 4.640 0.002 0.000 0.259 416 D C 1.252 177.507 176.300 -0.076 0.000 1.224 416 D CA 1.825 55.808 54.000 -0.028 0.000 0.894 416 D CB 0.400 41.209 40.800 0.015 0.000 1.127 416 D HN 0.642 nan 8.370 nan 0.000 0.487 417 G N 3.311 111.966 108.800 -0.241 0.000 2.176 417 G HA2 -0.300 3.661 3.960 0.002 0.000 0.232 417 G HA3 -0.300 3.661 3.960 0.002 0.000 0.232 417 G C 1.077 175.348 174.900 -1.048 0.000 0.986 417 G CA 0.303 45.182 45.100 -0.368 0.000 0.643 417 G HN 0.582 nan 8.290 nan 0.000 0.522 418 L N 0.375 120.819 121.223 -1.297 0.000 2.081 418 L HA -0.008 4.333 4.340 0.002 0.000 0.212 418 L C 2.497 178.934 176.870 -0.721 0.000 1.080 418 L CA 2.735 56.664 54.840 -1.518 0.000 0.754 418 L CB -0.144 41.395 42.059 -0.867 0.000 0.893 418 L HN 0.331 nan 8.230 nan 0.000 0.433 419 E N -0.084 119.849 120.200 -0.444 0.000 2.401 419 E HA -0.216 4.135 4.350 0.002 0.000 0.199 419 E C 1.558 178.063 176.600 -0.159 0.000 1.023 419 E CA 1.015 57.276 56.400 -0.232 0.000 0.859 419 E CB 0.085 29.686 29.700 -0.165 0.000 0.780 419 E HN 0.556 nan 8.360 nan 0.000 0.523 420 E N -1.416 118.666 120.200 -0.196 0.000 2.473 420 E HA 0.048 4.399 4.350 0.002 0.000 0.204 420 E C -0.456 176.220 176.600 0.127 0.000 0.994 420 E CA -0.224 56.156 56.400 -0.034 0.000 0.945 420 E CB 0.224 29.920 29.700 -0.008 0.000 0.990 420 E HN 0.145 nan 8.360 nan 0.000 0.493 421 W N 1.360 122.659 121.300 -0.001 0.000 2.170 421 W HA 0.332 4.993 4.660 0.002 0.000 0.336 421 W C 0.951 177.466 176.519 -0.007 0.000 1.283 421 W CA -1.185 56.160 57.345 -0.001 0.000 1.224 421 W CB 0.258 29.718 29.460 0.001 0.000 1.132 421 W HN -0.184 nan 8.180 nan 0.000 0.571 422 S N 1.948 117.776 115.700 0.215 0.000 2.646 422 S HA 0.344 4.815 4.470 0.002 0.000 0.276 422 S C 1.206 175.856 174.600 0.083 0.000 1.222 422 S CA -0.693 57.572 58.200 0.108 0.000 1.014 422 S CB 0.785 64.025 63.200 0.066 0.000 0.991 422 S HN 0.440 nan 8.310 nan 0.000 0.533 423 L N 2.546 123.801 121.223 0.053 0.000 2.012 423 L HA -0.007 4.334 4.340 0.002 0.000 0.210 423 L C 0.702 177.582 176.870 0.016 0.000 1.073 423 L CA 1.217 56.077 54.840 0.034 0.000 0.748 423 L CB -0.414 41.657 42.059 0.020 0.000 0.891 423 L HN 0.667 nan 8.230 nan 0.000 0.431 424 V N -3.953 115.966 119.914 0.009 0.000 3.001 424 V HA 0.918 5.039 4.120 0.002 0.000 0.314 424 V C 0.193 176.283 176.094 -0.008 0.000 1.099 424 V CA -0.411 61.886 62.300 -0.005 0.000 0.989 424 V CB 0.934 32.751 31.823 -0.010 0.000 1.040 424 V HN 0.414 nan 8.190 nan 0.000 0.434 425 G N 0.897 109.685 108.800 -0.019 0.000 2.645 425 G HA2 0.349 4.310 3.960 0.002 0.000 0.239 425 G HA3 0.349 4.310 3.960 0.002 0.000 0.239 425 G C -0.111 174.771 174.900 -0.030 0.000 1.331 425 G CA 1.062 46.149 45.100 -0.022 0.000 0.890 425 G HN 2.168 nan 8.290 nan 0.000 0.572 426 R N 0.000 120.486 120.500 -0.023 0.000 2.786 426 R HA 0.000 4.341 4.340 0.002 0.000 0.208 426 R CA 0.000 56.081 56.100 -0.032 0.000 0.921 426 R CB 0.000 30.281 30.300 -0.031 0.000 0.687 426 R HN 0.000 nan 8.270 nan 0.000 0.535