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 3etf_1_D DATA FIRST_RESID 9 DATA SEQUENCE ALSVNPATGQ TLAAXPWANA QEIEHALSLA ASGFKKWKXT SVAQRAQTLR DATA SEQUENCE DIGQALRAHA EEXAQCITRE XGKPIKQARA EVTKSAALCD WYAEHGPAXL DATA SEQUENCE NPEPTLVENQ QAVIEYRPLG VILAIXPWNF PLWQVLRGAV PILLAGNSYL DATA SEQUENCE LKHAPNVTGC AQXIARILAE AGTPAGVYGW VNANNEGVSQ XINDPRIAAV DATA SEQUENCE TVTGSVRAGA AIGAQAGAAL KKCVLELGGS DPFIVLNDAD LELAVKAAVA DATA SEQUENCE GRYQNTGQVC AAAKRFIVEE GIAQAFTDRF VAAAAALKXG DPLVEENDLG DATA SEQUENCE PXARFDLRDE LHQQVQASVA EGARLLLGGE KIAGEGNYYA ATVLADVTPD DATA SEQUENCE XTAFRQELFG PVAAITVAKD AAHALALAND SEFGLSATIF TADDTLAAEX DATA SEQUENCE AARLECGGVF INGYSASDAR VAFGGVKKSG FGRELSHFGL HEFCNVQTVW DATA SEQUENCE KNRV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.425 177.584 -0.266 0.000 1.274 9 A CA 0.000 51.721 52.037 -0.526 0.000 0.836 9 A CB 0.000 18.547 19.000 -0.755 0.000 0.831 10 L N 1.388 122.530 121.223 -0.135 0.000 2.346 10 L HA 0.865 5.205 4.340 0.000 0.000 0.276 10 L C -0.252 176.585 176.870 -0.056 0.000 1.006 10 L CA 0.103 54.891 54.840 -0.088 0.000 0.817 10 L CB 2.194 44.215 42.059 -0.064 0.000 1.272 10 L HN 0.440 nan 8.230 nan 0.000 0.421 11 S N 3.422 119.092 115.700 -0.050 0.000 2.462 11 S HA 0.808 5.278 4.470 0.000 0.000 0.294 11 S C -0.835 173.748 174.600 -0.029 0.000 1.144 11 S CA -0.553 57.622 58.200 -0.041 0.000 1.088 11 S CB 1.526 64.702 63.200 -0.040 0.000 1.009 11 S HN 0.425 nan 8.310 nan 0.000 0.484 12 V N 3.530 123.433 119.914 -0.018 0.000 2.686 12 V HA 0.372 4.493 4.120 0.000 0.000 0.306 12 V C -0.252 175.848 176.094 0.011 0.000 1.065 12 V CA -1.083 61.225 62.300 0.014 0.000 0.894 12 V CB 2.075 33.935 31.823 0.063 0.000 1.004 12 V HN 0.833 nan 8.190 nan 0.000 0.424 13 N N 6.878 125.586 118.700 0.014 0.000 2.431 13 N HA 0.185 4.925 4.740 0.000 0.000 0.265 13 N C -1.418 174.094 175.510 0.003 0.000 1.184 13 N CA -1.666 51.379 53.050 -0.008 0.000 0.943 13 N CB 1.769 40.256 38.487 -0.001 0.000 1.080 13 N HN 0.338 nan 8.380 nan 0.000 0.477 14 P HA -0.039 nan 4.420 nan 0.000 0.226 14 P C 0.606 177.764 177.300 -0.238 0.000 1.153 14 P CA 0.628 63.589 63.100 -0.230 0.000 0.777 14 P CB 0.239 31.702 31.700 -0.396 0.000 0.794 15 A N 0.225 122.963 122.820 -0.137 0.000 2.016 15 A HA -0.036 4.284 4.320 0.000 0.000 0.217 15 A C 2.075 179.713 177.584 0.090 0.000 1.162 15 A CA 2.041 54.047 52.037 -0.053 0.000 0.662 15 A CB -1.224 17.789 19.000 0.021 0.000 0.812 15 A HN 0.370 nan 8.150 nan 0.000 0.450 16 T N -6.453 108.148 114.554 0.077 0.000 2.955 16 T HA 0.421 4.771 4.350 0.000 0.000 0.251 16 T C 1.425 176.199 174.700 0.123 0.000 1.002 16 T CA 1.121 63.280 62.100 0.098 0.000 0.970 16 T CB 0.297 69.201 68.868 0.059 0.000 1.091 16 T HN 1.635 nan 8.240 nan 0.000 0.495 17 G N 1.694 110.604 108.800 0.183 0.000 2.162 17 G HA2 -0.207 3.753 3.960 0.000 0.000 0.260 17 G HA3 -0.207 3.753 3.960 0.000 0.000 0.260 17 G C -0.160 174.767 174.900 0.046 0.000 0.976 17 G CA 0.091 45.305 45.100 0.190 0.000 0.655 17 G HN 0.676 nan 8.290 nan 0.000 0.533 18 Q N 0.900 120.726 119.800 0.044 0.000 2.230 18 Q HA 0.507 4.847 4.340 0.000 0.000 0.253 18 Q C 0.378 176.379 176.000 0.003 0.000 0.919 18 Q CA -0.243 55.565 55.803 0.009 0.000 0.908 18 Q CB 1.104 29.847 28.738 0.008 0.000 1.245 18 Q HN 0.238 nan 8.270 nan 0.000 0.437 19 T N 2.945 117.490 114.554 -0.015 0.000 2.908 19 T HA 0.076 4.426 4.350 0.000 0.000 0.301 19 T C 1.414 176.105 174.700 -0.016 0.000 1.019 19 T CA 0.322 62.410 62.100 -0.020 0.000 1.152 19 T CB 0.267 69.118 68.868 -0.029 0.000 0.966 19 T HN 0.413 nan 8.240 nan 0.000 0.540 20 L N 1.751 122.964 121.223 -0.018 0.000 2.362 20 L HA 0.511 4.851 4.340 0.000 0.000 0.204 20 L C 1.097 177.955 176.870 -0.020 0.000 1.060 20 L CA 0.177 55.007 54.840 -0.017 0.000 0.827 20 L CB -0.016 42.032 42.059 -0.020 0.000 1.027 20 L HN 0.774 nan 8.230 nan 0.000 0.474 21 A N -0.943 121.861 122.820 -0.027 0.000 2.549 21 A HA 0.761 5.081 4.320 0.000 0.000 0.291 21 A C -1.663 175.893 177.584 -0.047 0.000 1.034 21 A CA 0.049 52.068 52.037 -0.030 0.000 0.655 21 A CB 0.618 19.606 19.000 -0.020 0.000 1.299 21 A HN 0.037 nan 8.150 nan 0.000 0.427 25 W N 1.067 122.366 121.300 -0.002 0.000 2.137 25 W HA 0.524 5.184 4.660 0.000 0.000 0.344 25 W C 1.017 177.512 176.519 -0.039 0.000 1.286 25 W CA -0.314 57.022 57.345 -0.014 0.000 1.240 25 W CB 0.559 30.015 29.460 -0.006 0.000 1.141 25 W HN 0.521 nan 8.180 nan 0.000 0.579 26 A N 3.286 126.233 122.820 0.212 0.000 2.511 26 A HA 0.116 4.436 4.320 0.000 0.000 0.242 26 A C 0.199 177.824 177.584 0.068 0.000 1.069 26 A CA -0.387 51.689 52.037 0.064 0.000 0.763 26 A CB -0.283 18.712 19.000 -0.008 0.000 1.001 26 A HN 0.698 nan 8.150 nan 0.000 0.498 27 N N 1.509 120.229 118.700 0.033 0.000 2.418 27 N HA 0.496 5.236 4.740 0.000 0.000 0.283 27 N C 0.994 176.508 175.510 0.007 0.000 1.267 27 N CA 0.023 53.089 53.050 0.026 0.000 0.975 27 N CB 0.330 38.829 38.487 0.019 0.000 1.167 27 N HN 0.512 nan 8.380 nan 0.000 0.581 28 A N -0.653 122.168 122.820 0.003 0.000 1.940 28 A HA -0.229 4.091 4.320 0.000 0.000 0.219 28 A C 2.012 179.595 177.584 -0.000 0.000 1.176 28 A CA 1.584 53.619 52.037 -0.003 0.000 0.631 28 A CB -1.025 17.972 19.000 -0.004 0.000 0.814 28 A HN 0.786 nan 8.150 nan 0.000 0.446 29 Q N -0.756 119.045 119.800 0.001 0.000 2.119 29 Q HA -0.162 4.179 4.340 0.000 0.000 0.201 29 Q C 1.952 177.964 176.000 0.021 0.000 0.972 29 Q CA 1.516 57.322 55.803 0.006 0.000 0.847 29 Q CB -0.123 28.611 28.738 -0.007 0.000 0.903 29 Q HN 0.788 nan 8.270 nan 0.000 0.433 30 E N 0.268 120.471 120.200 0.006 0.000 2.072 30 E HA -0.152 4.198 4.350 0.000 0.000 0.190 30 E C 1.933 178.541 176.600 0.012 0.000 0.982 30 E CA 0.649 57.056 56.400 0.012 0.000 0.803 30 E CB 0.084 29.768 29.700 -0.026 0.000 0.755 30 E HN 0.257 nan 8.360 nan 0.000 0.453 31 I N 1.391 121.954 120.570 -0.011 0.000 2.163 31 I HA -0.243 3.928 4.170 0.000 0.000 0.243 31 I C 2.532 178.636 176.117 -0.022 0.000 1.085 31 I CA 1.415 62.697 61.300 -0.031 0.000 1.347 31 I CB -1.061 36.918 38.000 -0.034 0.000 1.044 31 I HN 0.127 nan 8.210 nan 0.000 0.408 32 E N 0.753 120.954 120.200 0.001 0.000 2.085 32 E HA -0.302 4.048 4.350 0.000 0.000 0.194 32 E C 2.280 178.894 176.600 0.023 0.000 0.994 32 E CA 1.825 58.229 56.400 0.007 0.000 0.801 32 E CB -0.422 29.289 29.700 0.018 0.000 0.743 32 E HN 0.581 nan 8.360 nan 0.000 0.453 33 H N -0.429 118.616 119.070 -0.041 0.000 2.357 33 H HA 0.081 4.637 4.556 0.000 0.000 0.301 33 H C 1.775 177.074 175.328 -0.049 0.000 1.082 33 H CA 2.175 58.200 56.048 -0.039 0.000 1.342 33 H CB -0.455 29.283 29.762 -0.041 0.000 1.389 33 H HN 0.219 nan 8.280 nan 0.000 0.511 34 A N 0.680 123.400 122.820 -0.167 0.000 1.908 34 A HA -0.115 4.205 4.320 0.000 0.000 0.218 34 A C 2.540 180.008 177.584 -0.194 0.000 1.181 34 A CA 1.666 53.569 52.037 -0.222 0.000 0.627 34 A CB -0.932 17.978 19.000 -0.150 0.000 0.818 34 A HN 0.485 nan 8.150 nan 0.000 0.445 35 L N -0.557 120.587 121.223 -0.131 0.000 2.056 35 L HA -0.140 4.200 4.340 0.000 0.000 0.207 35 L C 2.867 179.682 176.870 -0.091 0.000 1.078 35 L CA 1.375 56.154 54.840 -0.102 0.000 0.749 35 L CB -0.407 41.610 42.059 -0.071 0.000 0.901 35 L HN 0.323 nan 8.230 nan 0.000 0.433 36 S N 0.056 115.698 115.700 -0.097 0.000 2.356 36 S HA -0.175 4.296 4.470 0.000 0.000 0.223 36 S C 1.860 176.405 174.600 -0.092 0.000 1.032 36 S CA 1.197 59.355 58.200 -0.069 0.000 1.005 36 S CB -0.341 62.835 63.200 -0.040 0.000 0.867 36 S HN 0.202 nan 8.310 nan 0.000 0.449 37 L N 1.791 122.893 121.223 -0.202 0.000 2.046 37 L HA 0.022 4.363 4.340 0.000 0.000 0.208 37 L C 2.414 179.226 176.870 -0.096 0.000 1.077 37 L CA 1.699 56.428 54.840 -0.185 0.000 0.747 37 L CB -1.042 40.806 42.059 -0.351 0.000 0.896 37 L HN 0.265 nan 8.230 nan 0.000 0.432 38 A N -0.723 122.034 122.820 -0.105 0.000 1.902 38 A HA -0.153 4.167 4.320 0.000 0.000 0.217 38 A C 2.435 180.037 177.584 0.030 0.000 1.181 38 A CA 1.897 53.900 52.037 -0.057 0.000 0.623 38 A CB -1.110 17.832 19.000 -0.097 0.000 0.818 38 A HN 0.521 nan 8.150 nan 0.000 0.443 39 A N 0.172 123.008 122.820 0.027 0.000 1.898 39 A HA -0.063 4.257 4.320 0.000 0.000 0.216 39 A C 2.513 180.184 177.584 0.144 0.000 1.181 39 A CA 2.295 54.394 52.037 0.103 0.000 0.620 39 A CB -0.901 18.133 19.000 0.056 0.000 0.819 39 A HN 0.973 nan 8.150 nan 0.000 0.442 40 S N -0.537 115.207 115.700 0.074 0.000 2.406 40 S HA 0.065 4.535 4.470 0.000 0.000 0.228 40 S C 2.020 176.667 174.600 0.079 0.000 1.020 40 S CA 1.162 59.402 58.200 0.066 0.000 0.965 40 S CB -0.993 62.228 63.200 0.035 0.000 0.798 40 S HN 0.623 nan 8.310 nan 0.000 0.488 41 G N 1.080 109.927 108.800 0.079 0.000 2.421 41 G HA2 -0.140 3.820 3.960 0.000 0.000 0.216 41 G HA3 -0.140 3.820 3.960 0.000 0.000 0.216 41 G C 1.186 176.191 174.900 0.176 0.000 1.171 41 G CA 0.820 45.972 45.100 0.087 0.000 0.775 41 G HN 0.510 nan 8.290 nan 0.000 0.543 42 F N 1.695 121.691 119.950 0.077 0.000 2.095 42 F HA -0.038 4.490 4.527 0.000 0.000 0.298 42 F C 2.522 178.418 175.800 0.160 0.000 1.104 42 F CA 2.056 60.144 58.000 0.147 0.000 1.232 42 F CB -0.261 38.796 39.000 0.095 0.000 0.987 42 F HN 0.141 nan 8.300 nan 0.000 0.475 43 K N 0.247 120.599 120.400 -0.081 0.000 2.113 43 K HA -0.238 4.082 4.320 0.000 0.000 0.208 43 K C 2.037 178.542 176.600 -0.159 0.000 1.047 43 K CA 1.912 58.088 56.287 -0.186 0.000 0.928 43 K CB -0.075 32.418 32.500 -0.011 0.000 0.716 43 K HN 0.315 nan 8.250 nan 0.000 0.446 44 K N -0.643 119.736 120.400 -0.034 0.000 2.098 44 K HA -0.097 4.224 4.320 0.000 0.000 0.203 44 K C 1.873 178.506 176.600 0.055 0.000 1.051 44 K CA 1.001 57.298 56.287 0.017 0.000 0.957 44 K CB -0.276 32.269 32.500 0.076 0.000 0.738 44 K HN 0.327 nan 8.250 nan 0.000 0.447 45 W N 4.680 125.914 121.300 -0.110 0.000 2.363 45 W HA -0.152 4.508 4.660 0.000 0.000 0.296 45 W C 0.527 176.979 176.519 -0.112 0.000 1.212 45 W CA 1.119 58.427 57.345 -0.061 0.000 1.260 45 W CB 0.204 29.680 29.460 0.027 0.000 1.131 45 W HN -0.002 nan 8.180 nan 0.000 0.530 49 S N 0.251 115.837 115.700 -0.190 0.000 2.617 49 S HA 0.479 4.949 4.470 0.000 0.000 0.269 49 S C 1.481 175.972 174.600 -0.182 0.000 1.292 49 S CA -0.235 57.876 58.200 -0.148 0.000 1.010 49 S CB 0.953 64.096 63.200 -0.096 0.000 0.944 49 S HN 0.900 nan 8.310 nan 0.000 0.536 50 V N 2.052 121.889 119.914 -0.128 0.000 2.490 50 V HA -0.149 3.971 4.120 0.000 0.000 0.250 50 V C 2.916 178.960 176.094 -0.084 0.000 1.061 50 V CA 2.152 64.388 62.300 -0.106 0.000 1.064 50 V CB -1.900 29.891 31.823 -0.052 0.000 0.670 50 V HN 1.009 nan 8.190 nan 0.000 0.461 51 A N -0.536 122.241 122.820 -0.072 0.000 1.877 51 A HA -0.291 4.029 4.320 0.000 0.000 0.216 51 A C 2.221 179.775 177.584 -0.050 0.000 1.186 51 A CA 1.972 53.978 52.037 -0.052 0.000 0.620 51 A CB -0.483 18.491 19.000 -0.044 0.000 0.822 51 A HN 0.598 nan 8.150 nan 0.000 0.443 52 Q N -0.713 119.040 119.800 -0.078 0.000 2.084 52 Q HA -0.175 4.166 4.340 0.000 0.000 0.202 52 Q C 2.375 178.339 176.000 -0.060 0.000 0.978 52 Q CA 1.607 57.369 55.803 -0.068 0.000 0.844 52 Q CB -0.188 28.487 28.738 -0.105 0.000 0.898 52 Q HN 0.627 nan 8.270 nan 0.000 0.426 53 R N 0.058 120.459 120.500 -0.166 0.000 2.092 53 R HA -0.047 4.294 4.340 0.000 0.000 0.231 53 R C 2.254 178.601 176.300 0.078 0.000 1.119 53 R CA 1.069 57.111 56.100 -0.097 0.000 0.970 53 R CB -0.337 29.784 30.300 -0.298 0.000 0.864 53 R HN 0.179 nan 8.270 nan 0.000 0.440 54 A N 1.138 123.975 122.820 0.027 0.000 1.930 54 A HA -0.222 4.098 4.320 0.000 0.000 0.217 54 A C 2.144 179.763 177.584 0.059 0.000 1.175 54 A CA 1.328 53.395 52.037 0.051 0.000 0.627 54 A CB -0.329 18.679 19.000 0.014 0.000 0.815 54 A HN 0.194 nan 8.150 nan 0.000 0.443 55 Q N -0.160 119.667 119.800 0.045 0.000 2.124 55 Q HA -0.110 4.231 4.340 0.000 0.000 0.202 55 Q C 1.948 177.999 176.000 0.084 0.000 0.977 55 Q CA 2.490 58.324 55.803 0.051 0.000 0.850 55 Q CB -0.959 27.802 28.738 0.037 0.000 0.901 55 Q HN 0.550 nan 8.270 nan 0.000 0.429 56 T N 1.098 115.732 114.554 0.133 0.000 2.720 56 T HA -0.132 4.218 4.350 0.000 0.000 0.268 56 T C 1.676 176.452 174.700 0.128 0.000 1.037 56 T CA 1.422 63.625 62.100 0.171 0.000 1.144 56 T CB -0.296 68.775 68.868 0.339 0.000 0.864 56 T HN 0.246 nan 8.240 nan 0.000 0.444 57 L N 0.337 121.640 121.223 0.134 0.000 2.042 57 L HA -0.148 4.192 4.340 0.000 0.000 0.210 57 L C 2.934 179.855 176.870 0.085 0.000 1.076 57 L CA 1.545 56.448 54.840 0.106 0.000 0.749 57 L CB -0.531 41.605 42.059 0.128 0.000 0.893 57 L HN 0.197 nan 8.230 nan 0.000 0.432 58 R N -0.167 120.379 120.500 0.077 0.000 2.096 58 R HA -0.152 4.189 4.340 0.000 0.000 0.235 58 R C 1.913 178.246 176.300 0.054 0.000 1.127 58 R CA 1.465 57.602 56.100 0.061 0.000 0.968 58 R CB -0.322 30.005 30.300 0.046 0.000 0.861 58 R HN 0.388 nan 8.270 nan 0.000 0.440 59 D N 0.674 121.107 120.400 0.055 0.000 2.117 59 D HA -0.130 4.510 4.640 0.000 0.000 0.197 59 D C 1.895 178.220 176.300 0.042 0.000 0.987 59 D CA 1.067 55.096 54.000 0.049 0.000 0.829 59 D CB -0.157 40.676 40.800 0.055 0.000 0.961 59 D HN 0.217 nan 8.370 nan 0.000 0.460 60 I N 0.972 121.563 120.570 0.035 0.000 2.179 60 I HA -0.184 3.986 4.170 0.000 0.000 0.242 60 I C 2.563 178.696 176.117 0.026 0.000 1.088 60 I CA 1.400 62.706 61.300 0.010 0.000 1.357 60 I CB -0.516 37.471 38.000 -0.021 0.000 1.051 60 I HN 0.024 nan 8.210 nan 0.000 0.409 61 G N -0.183 108.644 108.800 0.046 0.000 2.440 61 G HA2 -0.317 3.643 3.960 0.000 0.000 0.218 61 G HA3 -0.317 3.643 3.960 0.000 0.000 0.218 61 G C 1.563 176.493 174.900 0.050 0.000 1.154 61 G CA 0.758 45.892 45.100 0.057 0.000 0.767 61 G HN 0.424 nan 8.290 nan 0.000 0.552 62 Q N 0.140 119.967 119.800 0.045 0.000 2.050 62 Q HA -0.020 4.321 4.340 0.000 0.000 0.202 62 Q C 2.842 178.868 176.000 0.043 0.000 0.980 62 Q CA 1.570 57.396 55.803 0.038 0.000 0.840 62 Q CB -0.334 28.424 28.738 0.034 0.000 0.898 62 Q HN 0.391 nan 8.270 nan 0.000 0.424 63 A N 0.882 123.738 122.820 0.059 0.000 1.908 63 A HA -0.173 4.147 4.320 0.000 0.000 0.218 63 A C 2.086 179.759 177.584 0.148 0.000 1.181 63 A CA 1.216 53.318 52.037 0.108 0.000 0.627 63 A CB -0.764 18.293 19.000 0.095 0.000 0.818 63 A HN 0.470 nan 8.150 nan 0.000 0.445 64 L N -1.117 120.159 121.223 0.088 0.000 2.017 64 L HA -0.217 4.123 4.340 0.000 0.000 0.208 64 L C 2.919 179.837 176.870 0.081 0.000 1.073 64 L CA 1.611 56.502 54.840 0.085 0.000 0.745 64 L CB -0.413 41.679 42.059 0.055 0.000 0.894 64 L HN 0.377 nan 8.230 nan 0.000 0.432 65 R N -0.404 120.128 120.500 0.053 0.000 2.105 65 R HA -0.156 4.184 4.340 0.000 0.000 0.239 65 R C 2.286 178.585 176.300 -0.001 0.000 1.135 65 R CA 1.327 57.444 56.100 0.029 0.000 0.967 65 R CB -0.463 29.850 30.300 0.022 0.000 0.861 65 R HN 0.362 nan 8.270 nan 0.000 0.442 66 A N 0.115 122.917 122.820 -0.029 0.000 2.067 66 A HA -0.123 4.197 4.320 0.000 0.000 0.219 66 A C 0.728 178.130 177.584 -0.303 0.000 1.158 66 A CA 1.195 53.135 52.037 -0.161 0.000 0.661 66 A CB -0.233 18.644 19.000 -0.205 0.000 0.801 66 A HN 0.385 nan 8.150 nan 0.000 0.452 67 H N -1.898 117.176 119.070 0.007 0.000 2.510 67 H HA 0.514 5.070 4.556 0.000 0.000 0.266 67 H C 1.653 176.985 175.328 0.007 0.000 1.146 67 H CA 0.223 56.274 56.048 0.006 0.000 0.993 67 H CB 0.471 30.235 29.762 0.003 0.000 1.727 67 H HN 0.420 nan 8.280 nan 0.000 0.590 68 A N 0.665 123.531 122.820 0.076 0.000 1.902 68 A HA -0.224 4.096 4.320 0.000 0.000 0.217 68 A C 2.148 179.762 177.584 0.049 0.000 1.181 68 A CA 2.030 54.102 52.037 0.058 0.000 0.623 68 A CB -0.046 18.975 19.000 0.034 0.000 0.818 68 A HN 0.401 nan 8.150 nan 0.000 0.443 69 E N 0.568 120.791 120.200 0.038 0.000 2.072 69 E HA -0.075 4.275 4.350 0.000 0.000 0.190 69 E C 1.246 177.869 176.600 0.038 0.000 0.982 69 E CA 0.885 57.303 56.400 0.030 0.000 0.803 69 E CB -0.189 29.523 29.700 0.019 0.000 0.755 69 E HN 0.696 nan 8.360 nan 0.000 0.453 73 Q N -0.060 119.749 119.800 0.015 0.000 2.084 73 Q HA -0.196 4.144 4.340 0.000 0.000 0.202 73 Q C 2.226 178.227 176.000 0.002 0.000 0.978 73 Q CA 1.872 57.680 55.803 0.008 0.000 0.844 73 Q CB -0.763 27.981 28.738 0.011 0.000 0.898 73 Q HN 0.787 nan 8.270 nan 0.000 0.426 74 C N 0.509 119.810 119.300 0.002 0.000 2.432 74 C HA -0.119 4.341 4.460 0.000 0.000 0.277 74 C C 2.761 177.743 174.990 -0.014 0.000 1.249 74 C CA 0.331 59.344 59.018 -0.009 0.000 1.725 74 C CB -1.104 26.627 27.740 -0.014 0.000 2.028 74 C HN 0.457 nan 8.230 nan 0.000 0.477 75 I N 0.497 121.066 120.570 -0.002 0.000 2.127 75 I HA -0.222 3.948 4.170 0.000 0.000 0.241 75 I C 2.679 178.789 176.117 -0.011 0.000 1.075 75 I CA 2.263 63.564 61.300 0.003 0.000 1.334 75 I CB -0.897 37.119 38.000 0.026 0.000 1.040 75 I HN 0.340 nan 8.210 nan 0.000 0.405 76 T N 0.090 114.637 114.554 -0.012 0.000 2.746 76 T HA -0.223 4.128 4.350 0.000 0.000 0.267 76 T C 2.014 176.695 174.700 -0.032 0.000 1.039 76 T CA 1.437 63.524 62.100 -0.022 0.000 1.142 76 T CB -0.293 68.567 68.868 -0.013 0.000 0.866 76 T HN 0.289 nan 8.240 nan 0.000 0.444 77 R N 1.025 121.511 120.500 -0.024 0.000 2.083 77 R HA -0.036 4.304 4.340 0.000 0.000 0.237 77 R C 1.041 177.316 176.300 -0.042 0.000 1.137 77 R CA 1.139 57.222 56.100 -0.027 0.000 0.951 77 R CB 0.035 30.324 30.300 -0.018 0.000 0.851 77 R HN 0.487 nan 8.270 nan 0.000 0.434 81 K N 1.811 122.171 120.400 -0.066 0.000 2.451 81 K HA 0.294 4.614 4.320 0.000 0.000 0.280 81 K C -2.278 174.302 176.600 -0.034 0.000 1.020 81 K CA -1.178 55.074 56.287 -0.058 0.000 1.008 81 K CB 0.558 33.016 32.500 -0.070 0.000 0.917 81 K HN -0.067 nan 8.250 nan 0.000 0.478 82 P HA -0.126 nan 4.420 nan 0.000 0.263 82 P C 0.486 177.780 177.300 -0.010 0.000 1.175 82 P CA 0.104 63.198 63.100 -0.009 0.000 0.761 82 P CB 0.392 32.089 31.700 -0.006 0.000 0.794 83 I N 4.266 124.833 120.570 -0.005 0.000 2.335 83 I HA -0.266 3.905 4.170 0.000 0.000 0.251 83 I C 1.797 177.912 176.117 -0.004 0.000 1.129 83 I CA 1.830 63.128 61.300 -0.004 0.000 1.402 83 I CB -0.294 37.705 38.000 -0.001 0.000 1.069 83 I HN 0.288 nan 8.210 nan 0.000 0.424 84 K N -0.299 120.097 120.400 -0.007 0.000 2.097 84 K HA -0.194 4.127 4.320 0.000 0.000 0.206 84 K C 2.094 178.689 176.600 -0.009 0.000 1.049 84 K CA 1.611 57.892 56.287 -0.010 0.000 0.933 84 K CB -0.177 32.315 32.500 -0.014 0.000 0.717 84 K HN 0.512 nan 8.250 nan 0.000 0.442 85 Q N -0.169 119.626 119.800 -0.007 0.000 2.172 85 Q HA -0.057 4.284 4.340 0.000 0.000 0.200 85 Q C 2.130 178.136 176.000 0.011 0.000 0.964 85 Q CA 1.105 56.907 55.803 -0.001 0.000 0.855 85 Q CB -0.030 28.704 28.738 -0.007 0.000 0.918 85 Q HN 0.309 nan 8.270 nan 0.000 0.444 86 A N 1.332 124.156 122.820 0.006 0.000 1.930 86 A HA -0.184 4.136 4.320 0.000 0.000 0.217 86 A C 1.992 179.593 177.584 0.029 0.000 1.175 86 A CA 1.188 53.238 52.037 0.021 0.000 0.627 86 A CB -0.306 18.701 19.000 0.012 0.000 0.815 86 A HN 0.189 nan 8.150 nan 0.000 0.443 87 R N -0.506 120.003 120.500 0.015 0.000 2.075 87 R HA -0.040 4.300 4.340 0.000 0.000 0.232 87 R C 2.432 178.736 176.300 0.007 0.000 1.126 87 R CA 1.164 57.272 56.100 0.013 0.000 0.963 87 R CB -0.436 29.866 30.300 0.004 0.000 0.858 87 R HN 0.499 nan 8.270 nan 0.000 0.435 88 A N 1.007 123.825 122.820 -0.005 0.000 1.972 88 A HA -0.215 4.106 4.320 0.000 0.000 0.219 88 A C 2.023 179.586 177.584 -0.036 0.000 1.169 88 A CA 1.438 53.458 52.037 -0.030 0.000 0.635 88 A CB -0.369 18.605 19.000 -0.044 0.000 0.810 88 A HN 0.421 nan 8.150 nan 0.000 0.446 89 E N -0.117 120.091 120.200 0.014 0.000 2.072 89 E HA -0.126 4.224 4.350 0.000 0.000 0.191 89 E C 1.826 178.473 176.600 0.079 0.000 0.985 89 E CA 1.426 57.861 56.400 0.058 0.000 0.801 89 E CB -0.106 29.704 29.700 0.182 0.000 0.750 89 E HN 0.325 nan 8.360 nan 0.000 0.452 90 V N 0.842 120.798 119.914 0.071 0.000 2.343 90 V HA -0.246 3.874 4.120 0.000 0.000 0.247 90 V C 2.389 178.518 176.094 0.058 0.000 1.051 90 V CA 2.154 64.499 62.300 0.075 0.000 1.036 90 V CB -0.785 31.073 31.823 0.059 0.000 0.654 90 V HN 0.373 nan 8.190 nan 0.000 0.451 91 T N -0.464 114.105 114.554 0.026 0.000 2.746 91 T HA -0.260 4.090 4.350 0.000 0.000 0.267 91 T C 1.965 176.671 174.700 0.010 0.000 1.039 91 T CA 1.927 64.034 62.100 0.013 0.000 1.142 91 T CB -0.204 68.658 68.868 -0.010 0.000 0.866 91 T HN 0.448 nan 8.240 nan 0.000 0.444 92 K N 0.672 121.048 120.400 -0.039 0.000 2.097 92 K HA -0.043 4.277 4.320 0.000 0.000 0.205 92 K C 2.511 179.176 176.600 0.108 0.000 1.050 92 K CA 1.196 57.426 56.287 -0.095 0.000 0.938 92 K CB -0.071 32.190 32.500 -0.398 0.000 0.718 92 K HN 0.164 nan 8.250 nan 0.000 0.442 93 S N 0.497 116.322 115.700 0.208 0.000 2.368 93 S HA -0.092 4.378 4.470 0.000 0.000 0.224 93 S C 1.996 176.714 174.600 0.197 0.000 1.029 93 S CA 1.076 59.468 58.200 0.320 0.000 0.988 93 S CB -0.147 63.214 63.200 0.267 0.000 0.838 93 S HN 0.504 nan 8.310 nan 0.000 0.462 94 A N 1.596 124.496 122.820 0.134 0.000 1.898 94 A HA 0.182 4.503 4.320 0.000 0.000 0.216 94 A C 2.339 180.000 177.584 0.129 0.000 1.181 94 A CA 1.556 53.657 52.037 0.108 0.000 0.620 94 A CB -1.019 18.027 19.000 0.077 0.000 0.819 94 A HN 0.499 nan 8.150 nan 0.000 0.442 95 A N -0.428 122.470 122.820 0.129 0.000 1.972 95 A HA -0.037 4.284 4.320 0.000 0.000 0.219 95 A C 2.111 179.830 177.584 0.225 0.000 1.169 95 A CA 1.661 53.786 52.037 0.147 0.000 0.635 95 A CB -0.576 18.485 19.000 0.101 0.000 0.810 95 A HN 0.718 nan 8.150 nan 0.000 0.446 96 L N -0.269 121.109 121.223 0.259 0.000 2.046 96 L HA -0.173 4.167 4.340 0.000 0.000 0.208 96 L C 2.422 179.518 176.870 0.378 0.000 1.077 96 L CA 2.202 57.248 54.840 0.343 0.000 0.747 96 L CB -0.779 41.508 42.059 0.380 0.000 0.896 96 L HN 0.454 nan 8.230 nan 0.000 0.432 97 C N -0.065 119.390 119.300 0.259 0.000 2.413 97 C HA -0.161 4.299 4.460 0.000 0.000 0.276 97 C C 2.377 177.506 174.990 0.231 0.000 1.236 97 C CA 0.950 60.097 59.018 0.216 0.000 1.735 97 C CB -1.147 26.669 27.740 0.128 0.000 2.031 97 C HN 0.597 nan 8.230 nan 0.000 0.474 98 D N -1.064 119.458 120.400 0.204 0.000 2.144 98 D HA -0.135 4.505 4.640 0.000 0.000 0.200 98 D C 1.710 178.125 176.300 0.192 0.000 0.978 98 D CA 0.991 55.087 54.000 0.162 0.000 0.833 98 D CB -0.431 40.447 40.800 0.130 0.000 0.961 98 D HN 0.749 nan 8.370 nan 0.000 0.470 99 W N 0.746 122.108 121.300 0.103 0.000 2.333 99 W HA -0.249 4.411 4.660 0.000 0.000 0.316 99 W C 2.121 178.686 176.519 0.077 0.000 1.215 99 W CA 1.456 58.864 57.345 0.104 0.000 1.278 99 W CB -0.636 28.843 29.460 0.031 0.000 1.154 99 W HN -0.024 nan 8.180 nan 0.000 0.486 100 Y N 0.035 120.576 120.300 0.401 0.000 2.224 100 Y HA -0.193 4.358 4.550 0.000 0.000 0.289 100 Y C 2.580 178.489 175.900 0.016 0.000 1.146 100 Y CA 1.809 60.033 58.100 0.207 0.000 1.182 100 Y CB -1.062 37.548 38.460 0.251 0.000 0.983 100 Y HN 0.038 nan 8.280 nan 0.000 0.524 101 A N -0.080 122.838 122.820 0.164 0.000 1.940 101 A HA -0.278 4.043 4.320 0.000 0.000 0.219 101 A C 2.109 179.645 177.584 -0.081 0.000 1.176 101 A CA 2.124 54.192 52.037 0.052 0.000 0.631 101 A CB -0.596 18.434 19.000 0.051 0.000 0.814 101 A HN 0.572 nan 8.150 nan 0.000 0.446 102 E N -1.553 118.519 120.200 -0.213 0.000 2.042 102 E HA -0.144 4.207 4.350 0.000 0.000 0.189 102 E C 1.732 177.966 176.600 -0.610 0.000 0.974 102 E CA 0.777 56.908 56.400 -0.448 0.000 0.806 102 E CB -0.140 29.178 29.700 -0.636 0.000 0.769 102 E HN 0.765 nan 8.360 nan 0.000 0.451 103 H N -1.209 117.533 119.070 -0.547 0.000 2.562 103 H HA 0.156 4.712 4.556 0.000 0.000 0.267 103 H C 1.868 176.971 175.328 -0.375 0.000 0.959 103 H CA 0.734 56.405 56.048 -0.629 0.000 1.204 103 H CB 0.515 29.496 29.762 -1.302 0.000 1.430 103 H HN 0.300 nan 8.280 nan 0.000 0.545 104 G N 2.428 111.167 108.800 -0.102 0.000 2.404 104 G HA2 -0.164 3.796 3.960 0.000 0.000 0.215 104 G HA3 -0.164 3.796 3.960 0.000 0.000 0.215 104 G C -0.573 174.351 174.900 0.041 0.000 1.174 104 G CA 0.199 45.367 45.100 0.113 0.000 0.780 104 G HN 0.326 nan 8.290 nan 0.000 0.537 105 P HA -0.010 nan 4.420 nan 0.000 0.216 105 P C 1.373 178.665 177.300 -0.012 0.000 1.153 105 P CA 1.535 64.629 63.100 -0.009 0.000 0.858 105 P CB -0.104 31.575 31.700 -0.035 0.000 0.789 109 N N 3.229 121.979 118.700 0.083 0.000 2.492 109 N HA 0.205 4.945 4.740 0.000 0.000 0.260 109 N C -2.216 173.380 175.510 0.144 0.000 1.215 109 N CA -0.814 52.285 53.050 0.081 0.000 0.923 109 N CB 0.342 38.852 38.487 0.038 0.000 1.092 109 N HN -0.010 nan 8.380 nan 0.000 0.448 110 P HA 0.062 nan 4.420 nan 0.000 0.269 110 P C -0.580 176.750 177.300 0.049 0.000 1.209 110 P CA 0.196 63.335 63.100 0.065 0.000 0.776 110 P CB 0.791 32.498 31.700 0.012 0.000 0.876 111 E N 3.286 123.498 120.200 0.020 0.000 2.197 111 E HA 0.274 4.624 4.350 0.000 0.000 0.281 111 E C -1.954 174.615 176.600 -0.051 0.000 0.995 111 E CA -2.045 54.355 56.400 0.001 0.000 0.808 111 E CB 0.811 30.510 29.700 -0.001 0.000 1.093 111 E HN 0.401 nan 8.360 nan 0.000 0.394 112 P HA -0.001 nan 4.420 nan 0.000 0.272 112 P C -0.384 176.858 177.300 -0.097 0.000 1.240 112 P CA -0.190 62.865 63.100 -0.075 0.000 0.791 112 P CB 0.843 32.508 31.700 -0.059 0.000 0.978 113 T N -2.577 111.896 114.554 -0.135 0.000 2.888 113 T HA 0.408 4.758 4.350 0.000 0.000 0.288 113 T C 1.126 175.737 174.700 -0.147 0.000 1.063 113 T CA -0.868 61.139 62.100 -0.156 0.000 1.010 113 T CB 0.525 69.248 68.868 -0.241 0.000 1.214 113 T HN 0.147 nan 8.240 nan 0.000 0.533 114 L N 0.739 121.879 121.223 -0.139 0.000 2.552 114 L HA 0.188 4.528 4.340 0.000 0.000 0.227 114 L C 0.630 177.419 176.870 -0.135 0.000 1.146 114 L CA -0.111 54.663 54.840 -0.110 0.000 0.858 114 L CB -0.160 41.853 42.059 -0.076 0.000 0.969 114 L HN 0.474 nan 8.230 nan 0.000 0.451 115 V N 1.136 120.910 119.914 -0.234 0.000 2.617 115 V HA -0.101 4.019 4.120 0.000 0.000 0.304 115 V C 0.777 176.776 176.094 -0.159 0.000 1.040 115 V CA -0.004 62.135 62.300 -0.268 0.000 1.149 115 V CB 0.324 31.769 31.823 -0.631 0.000 0.914 115 V HN 0.288 nan 8.190 nan 0.000 0.487 116 E N 3.930 124.087 120.200 -0.072 0.000 2.398 116 E HA 0.058 4.408 4.350 0.000 0.000 0.263 116 E C 0.847 177.425 176.600 -0.036 0.000 1.046 116 E CA 0.127 56.504 56.400 -0.039 0.000 0.908 116 E CB 0.041 29.740 29.700 -0.002 0.000 0.963 116 E HN 0.715 nan 8.360 nan 0.000 0.431 117 N N 1.930 120.612 118.700 -0.031 0.000 2.754 117 N HA -0.238 4.502 4.740 0.000 0.000 0.248 117 N C -1.085 174.407 175.510 -0.029 0.000 1.093 117 N CA 1.052 54.090 53.050 -0.019 0.000 0.699 117 N CB -1.040 37.448 38.487 0.002 0.000 1.016 117 N HN 0.619 nan 8.380 nan 0.000 0.552 118 Q N -2.272 117.494 119.800 -0.057 0.000 2.457 118 Q HA -0.264 4.076 4.340 0.000 0.000 0.283 118 Q C 0.643 176.604 176.000 -0.066 0.000 1.234 118 Q CA 1.484 57.247 55.803 -0.067 0.000 0.877 118 Q CB -1.263 27.450 28.738 -0.042 0.000 1.250 118 Q HN 0.627 nan 8.270 nan 0.000 0.481 119 Q N -1.555 118.190 119.800 -0.091 0.000 2.398 119 Q HA 0.355 4.695 4.340 0.000 0.000 0.204 119 Q C 0.299 176.202 176.000 -0.162 0.000 0.932 119 Q CA 1.174 56.949 55.803 -0.046 0.000 0.916 119 Q CB 0.771 29.553 28.738 0.073 0.000 1.024 119 Q HN 0.495 nan 8.270 nan 0.000 0.504 120 A N 0.662 123.266 122.820 -0.360 0.000 2.393 120 A HA 0.653 4.973 4.320 0.000 0.000 0.306 120 A C -0.477 176.946 177.584 -0.268 0.000 1.050 120 A CA -0.635 51.142 52.037 -0.435 0.000 0.724 120 A CB 1.608 20.010 19.000 -0.998 0.000 1.248 120 A HN 0.001 nan 8.150 nan 0.000 0.424 121 V N -0.344 119.468 119.914 -0.170 0.000 3.102 121 V HA 0.778 4.899 4.120 0.000 0.000 0.312 121 V C -0.904 175.109 176.094 -0.135 0.000 1.135 121 V CA -1.040 61.179 62.300 -0.135 0.000 1.022 121 V CB 1.873 33.644 31.823 -0.087 0.000 1.056 121 V HN 0.661 nan 8.190 nan 0.000 0.436 122 I N 2.002 122.479 120.570 -0.155 0.000 2.354 122 I HA 0.614 4.784 4.170 0.000 0.000 0.292 122 I C 0.016 175.971 176.117 -0.271 0.000 0.989 122 I CA -0.239 60.924 61.300 -0.228 0.000 1.188 122 I CB 1.341 39.167 38.000 -0.289 0.000 1.342 122 I HN 0.790 nan 8.210 nan 0.000 0.457 123 E N 5.212 125.247 120.200 -0.276 0.000 2.207 123 E HA 0.373 4.723 4.350 0.000 0.000 0.270 123 E C -1.444 174.945 176.600 -0.350 0.000 0.927 123 E CA -0.684 55.592 56.400 -0.206 0.000 0.799 123 E CB 2.309 31.963 29.700 -0.077 0.000 1.172 123 E HN 0.309 nan 8.360 nan 0.000 0.404 124 Y N 1.783 122.070 120.300 -0.021 0.000 2.593 124 Y HA 0.226 4.777 4.550 0.000 0.000 0.331 124 Y C 0.457 176.384 175.900 0.046 0.000 0.986 124 Y CA -0.661 57.436 58.100 -0.006 0.000 1.262 124 Y CB 0.628 39.079 38.460 -0.014 0.000 1.098 124 Y HN 0.001 nan 8.280 nan 0.000 0.506 125 R N 3.036 123.620 120.500 0.140 0.000 2.536 125 R HA 0.442 4.782 4.340 0.000 0.000 0.279 125 R C -2.746 173.674 176.300 0.200 0.000 1.001 125 R CA -2.641 53.544 56.100 0.142 0.000 1.027 125 R CB 0.252 30.613 30.300 0.103 0.000 1.096 125 R HN 0.324 nan 8.270 nan 0.000 0.502 126 P HA -0.006 nan 4.420 nan 0.000 0.269 126 P C 0.473 177.955 177.300 0.303 0.000 1.209 126 P CA -0.155 63.143 63.100 0.330 0.000 0.776 126 P CB 0.579 32.565 31.700 0.476 0.000 0.876 127 L N 1.992 123.340 121.223 0.208 0.000 2.221 127 L HA 0.393 4.733 4.340 0.000 0.000 0.202 127 L C 1.166 177.924 176.870 -0.188 0.000 1.074 127 L CA 2.191 57.081 54.840 0.083 0.000 0.795 127 L CB -0.836 41.295 42.059 0.120 0.000 0.960 127 L HN 0.722 nan 8.230 nan 0.000 0.458 128 G N -1.845 106.608 108.800 -0.577 0.000 2.366 128 G HA2 0.075 4.035 3.960 0.000 0.000 0.190 128 G HA3 0.075 4.035 3.960 0.000 0.000 0.190 128 G C -1.471 172.915 174.900 -0.858 0.000 1.299 128 G CA -0.280 43.976 45.100 -1.408 0.000 1.056 128 G HN -0.098 nan 8.290 nan 0.000 0.468 129 V N 2.089 121.674 119.914 -0.548 0.000 2.461 129 V HA 0.458 4.578 4.120 0.000 0.000 0.275 129 V C 0.137 176.082 176.094 -0.249 0.000 1.047 129 V CA -0.490 61.635 62.300 -0.292 0.000 0.955 129 V CB 1.125 32.826 31.823 -0.202 0.000 0.988 129 V HN 0.488 nan 8.190 nan 0.000 0.471 130 I N 5.914 126.332 120.570 -0.255 0.000 2.321 130 I HA 0.319 4.489 4.170 0.000 0.000 0.291 130 I C -0.140 175.738 176.117 -0.397 0.000 0.998 130 I CA -0.757 60.338 61.300 -0.342 0.000 1.227 130 I CB 1.246 38.947 38.000 -0.498 0.000 1.368 130 I HN 0.447 nan 8.210 nan 0.000 0.466 131 L N 6.802 127.824 121.223 -0.334 0.000 2.290 131 L HA 0.657 4.997 4.340 0.000 0.000 0.284 131 L C 0.083 176.721 176.870 -0.387 0.000 1.078 131 L CA 0.128 54.767 54.840 -0.335 0.000 0.815 131 L CB 0.907 42.842 42.059 -0.207 0.000 1.162 131 L HN 0.725 nan 8.230 nan 0.000 0.435 132 A N 5.877 128.394 122.820 -0.504 0.000 2.331 132 A HA 0.812 5.132 4.320 0.000 0.000 0.320 132 A C -0.709 176.731 177.584 -0.240 0.000 1.138 132 A CA -0.500 51.282 52.037 -0.425 0.000 0.790 132 A CB 0.679 19.253 19.000 -0.709 0.000 1.206 132 A HN 0.670 nan 8.150 nan 0.000 0.470 136 W N 0.936 122.343 121.300 0.179 0.000 3.197 136 W HA 0.039 4.699 4.660 0.000 0.000 0.274 136 W C 0.752 177.323 176.519 0.086 0.000 1.297 136 W CA 0.663 58.069 57.345 0.103 0.000 1.662 136 W CB -0.905 28.577 29.460 0.035 0.000 1.106 136 W HN 0.354 nan 8.180 nan 0.000 0.663 137 N N 1.914 120.473 118.700 -0.235 0.000 2.270 137 N HA -0.158 4.582 4.740 0.000 0.000 0.181 137 N C -0.253 175.079 175.510 -0.298 0.000 1.016 137 N CA 0.726 53.658 53.050 -0.196 0.000 0.870 137 N CB -1.084 37.166 38.487 -0.395 0.000 0.979 137 N HN 0.079 nan 8.380 nan 0.000 0.431 138 F N -0.048 119.982 119.950 0.133 0.000 2.660 138 F HA 0.434 4.961 4.527 0.000 0.000 0.352 138 F C -1.855 174.072 175.800 0.213 0.000 1.257 138 F CA -2.062 56.050 58.000 0.187 0.000 1.200 138 F CB 2.249 41.408 39.000 0.266 0.000 1.473 138 F HN -0.151 nan 8.300 nan 0.000 0.561 139 P HA -0.157 nan 4.420 nan 0.000 0.222 139 P C 1.599 179.110 177.300 0.352 0.000 1.147 139 P CA 0.931 64.233 63.100 0.338 0.000 0.790 139 P CB 0.586 32.361 31.700 0.126 0.000 0.780 140 L N -1.874 119.514 121.223 0.274 0.000 2.262 140 L HA 0.179 4.519 4.340 0.000 0.000 0.197 140 L C 2.175 179.172 176.870 0.211 0.000 1.073 140 L CA 1.055 56.019 54.840 0.207 0.000 0.800 140 L CB -1.381 40.780 42.059 0.170 0.000 0.987 140 L HN -0.012 nan 8.230 nan 0.000 0.470 141 W N 0.631 121.996 121.300 0.109 0.000 2.358 141 W HA -0.236 4.424 4.660 0.000 0.000 0.303 141 W C 2.019 178.531 176.519 -0.012 0.000 1.208 141 W CA 1.772 59.131 57.345 0.024 0.000 1.274 141 W CB -0.127 29.320 29.460 -0.022 0.000 1.138 141 W HN 0.347 nan 8.180 nan 0.000 0.515 142 Q N 0.169 119.948 119.800 -0.034 0.000 2.124 142 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 142 Q C 2.237 178.118 176.000 -0.198 0.000 0.977 142 Q CA 2.179 57.867 55.803 -0.193 0.000 0.850 142 Q CB -0.287 28.474 28.738 0.038 0.000 0.901 142 Q HN 0.126 nan 8.270 nan 0.000 0.429 143 V N 0.626 120.478 119.914 -0.104 0.000 2.261 143 V HA -0.259 3.861 4.120 0.000 0.000 0.246 143 V C 2.071 178.029 176.094 -0.225 0.000 1.047 143 V CA 1.594 63.845 62.300 -0.082 0.000 1.015 143 V CB -0.438 31.379 31.823 -0.009 0.000 0.642 143 V HN 0.388 nan 8.190 nan 0.000 0.446 144 L N -0.484 120.590 121.223 -0.249 0.000 2.217 144 L HA -0.088 4.252 4.340 0.000 0.000 0.211 144 L C 2.676 179.304 176.870 -0.405 0.000 1.107 144 L CA 1.172 55.834 54.840 -0.297 0.000 0.783 144 L CB -0.602 41.360 42.059 -0.163 0.000 0.919 144 L HN 0.294 nan 8.230 nan 0.000 0.442 145 R N 0.436 120.541 120.500 -0.658 0.000 2.117 145 R HA -0.174 4.166 4.340 0.000 0.000 0.243 145 R C 2.079 178.149 176.300 -0.382 0.000 1.143 145 R CA 1.746 57.373 56.100 -0.789 0.000 0.968 145 R CB -0.238 29.376 30.300 -1.143 0.000 0.863 145 R HN 0.385 nan 8.270 nan 0.000 0.444 146 G N -0.977 107.653 108.800 -0.283 0.000 2.486 146 G HA2 -0.025 3.935 3.960 0.000 0.000 0.210 146 G HA3 -0.025 3.935 3.960 0.000 0.000 0.210 146 G C 1.430 176.207 174.900 -0.204 0.000 1.168 146 G CA 0.370 45.397 45.100 -0.121 0.000 0.820 146 G HN 0.401 nan 8.290 nan 0.000 0.544 147 A N 0.464 123.004 122.820 -0.468 0.000 1.933 147 A HA 0.090 4.411 4.320 0.000 0.000 0.218 147 A C 2.555 179.921 177.584 -0.364 0.000 1.175 147 A CA 1.761 53.346 52.037 -0.753 0.000 0.628 147 A CB -0.610 17.640 19.000 -1.250 0.000 0.814 147 A HN 0.227 nan 8.150 nan 0.000 0.444 148 V N 1.075 120.806 119.914 -0.305 0.000 2.237 148 V HA -0.166 3.955 4.120 0.000 0.000 0.245 148 V C -0.056 175.858 176.094 -0.299 0.000 1.046 148 V CA 2.538 64.702 62.300 -0.227 0.000 1.007 148 V CB -1.501 30.233 31.823 -0.148 0.000 0.638 148 V HN 0.446 nan 8.190 nan 0.000 0.445 149 P HA -0.124 nan 4.420 nan 0.000 0.217 149 P C 1.851 179.094 177.300 -0.095 0.000 1.150 149 P CA 1.574 64.388 63.100 -0.478 0.000 0.832 149 P CB -0.035 31.342 31.700 -0.538 0.000 0.787 150 I N -0.604 119.951 120.570 -0.026 0.000 2.163 150 I HA -0.231 3.939 4.170 0.000 0.000 0.243 150 I C 2.600 178.816 176.117 0.164 0.000 1.085 150 I CA 1.353 62.712 61.300 0.099 0.000 1.347 150 I CB -0.621 37.425 38.000 0.076 0.000 1.044 150 I HN -0.147 nan 8.210 nan 0.000 0.408 151 L N -0.315 120.987 121.223 0.133 0.000 2.093 151 L HA -0.215 4.125 4.340 0.000 0.000 0.208 151 L C 2.564 179.708 176.870 0.455 0.000 1.085 151 L CA 0.925 55.960 54.840 0.325 0.000 0.755 151 L CB -0.560 41.616 42.059 0.195 0.000 0.904 151 L HN 0.297 nan 8.230 nan 0.000 0.435 152 L N 0.523 121.879 121.223 0.221 0.000 2.131 152 L HA -0.104 4.236 4.340 0.000 0.000 0.210 152 L C 2.498 179.449 176.870 0.135 0.000 1.092 152 L CA 1.746 56.681 54.840 0.159 0.000 0.759 152 L CB -0.602 41.506 42.059 0.082 0.000 0.903 152 L HN 0.136 nan 8.230 nan 0.000 0.435 153 A N -1.138 121.785 122.820 0.171 0.000 2.209 153 A HA 0.319 4.639 4.320 0.000 0.000 0.212 153 A C 1.761 179.472 177.584 0.211 0.000 1.158 153 A CA 0.827 52.977 52.037 0.188 0.000 0.742 153 A CB -0.858 18.279 19.000 0.227 0.000 0.790 153 A HN 0.829 nan 8.150 nan 0.000 0.472 154 G N -1.156 107.800 108.800 0.260 0.000 2.159 154 G HA2 -0.224 3.736 3.960 0.000 0.000 0.227 154 G HA3 -0.224 3.736 3.960 0.000 0.000 0.227 154 G C -0.067 175.217 174.900 0.639 0.000 0.986 154 G CA 0.099 45.349 45.100 0.251 0.000 0.651 154 G HN 0.634 nan 8.290 nan 0.000 0.523 155 N N 0.292 119.338 118.700 0.576 0.000 2.434 155 N HA 0.626 5.367 4.740 0.000 0.000 0.266 155 N C 0.414 176.180 175.510 0.427 0.000 1.223 155 N CA 0.173 53.507 53.050 0.474 0.000 0.972 155 N CB 0.929 39.543 38.487 0.211 0.000 1.207 155 N HN 0.440 nan 8.380 nan 0.000 0.525 156 S N -0.432 115.409 115.700 0.234 0.000 2.593 156 S HA 0.397 4.868 4.470 0.000 0.000 0.297 156 S C -1.280 173.338 174.600 0.031 0.000 1.112 156 S CA -0.744 57.502 58.200 0.076 0.000 1.043 156 S CB 0.888 64.131 63.200 0.072 0.000 1.054 156 S HN 0.594 nan 8.310 nan 0.000 0.516 157 Y N 1.758 121.971 120.300 -0.145 0.000 2.331 157 Y HA 0.664 5.214 4.550 0.000 0.000 0.334 157 Y C -1.426 174.310 175.900 -0.273 0.000 0.960 157 Y CA -1.224 56.764 58.100 -0.187 0.000 1.130 157 Y CB 1.452 39.846 38.460 -0.111 0.000 1.164 157 Y HN 0.784 nan 8.280 nan 0.000 0.458 158 L N 8.165 129.090 121.223 -0.497 0.000 2.342 158 L HA 0.536 4.876 4.340 0.000 0.000 0.276 158 L C -2.045 174.523 176.870 -0.503 0.000 0.997 158 L CA -0.819 53.775 54.840 -0.410 0.000 0.838 158 L CB 1.243 43.136 42.059 -0.275 0.000 1.224 158 L HN 0.703 nan 8.230 nan 0.000 0.416 159 L N 5.157 126.160 121.223 -0.366 0.000 2.309 159 L HA 0.559 4.899 4.340 0.000 0.000 0.282 159 L C -0.563 176.326 176.870 0.033 0.000 1.036 159 L CA -0.013 54.694 54.840 -0.221 0.000 0.806 159 L CB 0.872 42.912 42.059 -0.031 0.000 1.220 159 L HN 0.614 nan 8.230 nan 0.000 0.429 160 K N 4.776 125.190 120.400 0.023 0.000 2.367 160 K HA 0.272 4.592 4.320 0.000 0.000 0.263 160 K C -1.227 175.507 176.600 0.225 0.000 1.000 160 K CA -0.346 56.040 56.287 0.165 0.000 0.891 160 K CB 0.419 32.965 32.500 0.076 0.000 1.117 160 K HN 0.936 nan 8.250 nan 0.000 0.443 161 H N 1.064 120.311 119.070 0.296 0.000 2.508 161 H HA 0.466 5.023 4.556 0.000 0.000 0.344 161 H C -0.203 175.262 175.328 0.229 0.000 1.192 161 H CA -0.620 55.549 56.048 0.203 0.000 1.290 161 H CB 1.548 31.367 29.762 0.096 0.000 1.571 161 H HN 0.774 nan 8.280 nan 0.000 0.555 162 A N 3.021 126.153 122.820 0.521 0.000 2.540 162 A HA 0.036 4.357 4.320 0.000 0.000 0.239 162 A C -1.520 176.218 177.584 0.257 0.000 1.061 162 A CA -0.915 51.336 52.037 0.356 0.000 0.758 162 A CB -0.096 19.151 19.000 0.411 0.000 0.991 162 A HN 0.715 nan 8.150 nan 0.000 0.502 163 P HA -0.161 nan 4.420 nan 0.000 0.222 163 P C 0.642 177.991 177.300 0.081 0.000 1.147 163 P CA 1.298 64.523 63.100 0.208 0.000 0.790 163 P CB -0.065 31.805 31.700 0.284 0.000 0.780 164 N N 0.594 119.335 118.700 0.067 0.000 2.461 164 N HA -0.028 4.712 4.740 0.000 0.000 0.188 164 N C 0.957 176.440 175.510 -0.045 0.000 1.134 164 N CA 0.657 53.696 53.050 -0.018 0.000 0.878 164 N CB -0.633 37.797 38.487 -0.094 0.000 0.972 164 N HN 0.171 nan 8.380 nan 0.000 0.456 165 V N -2.429 117.447 119.914 -0.062 0.000 2.915 165 V HA 0.293 4.413 4.120 0.000 0.000 0.364 165 V C 1.451 177.404 176.094 -0.236 0.000 1.354 165 V CA 0.095 62.294 62.300 -0.168 0.000 1.213 165 V CB -0.582 31.095 31.823 -0.243 0.000 1.268 165 V HN 0.188 nan 8.190 nan 0.000 0.557 166 T N -2.487 112.001 114.554 -0.111 0.000 2.915 166 T HA -0.015 4.335 4.350 0.000 0.000 0.269 166 T C 1.941 176.559 174.700 -0.136 0.000 1.071 166 T CA 1.678 63.725 62.100 -0.088 0.000 1.132 166 T CB -0.380 68.585 68.868 0.161 0.000 0.878 166 T HN 0.678 nan 8.240 nan 0.000 0.479 167 G N 0.438 109.182 108.800 -0.093 0.000 2.404 167 G HA2 -0.177 3.783 3.960 0.000 0.000 0.215 167 G HA3 -0.177 3.783 3.960 0.000 0.000 0.215 167 G C 1.830 176.659 174.900 -0.118 0.000 1.174 167 G CA 0.864 45.920 45.100 -0.073 0.000 0.780 167 G HN 0.611 nan 8.290 nan 0.000 0.537 168 C N 0.998 120.209 119.300 -0.149 0.000 2.413 168 C HA 0.120 4.580 4.460 0.000 0.000 0.276 168 C C 3.549 178.416 174.990 -0.205 0.000 1.248 168 C CA 0.914 59.845 59.018 -0.144 0.000 1.742 168 C CB -0.987 26.671 27.740 -0.137 0.000 2.017 168 C HN 0.568 nan 8.230 nan 0.000 0.481 169 A N -0.158 122.438 122.820 -0.373 0.000 1.902 169 A HA -0.152 4.168 4.320 0.000 0.000 0.217 169 A C 1.422 178.570 177.584 -0.728 0.000 1.181 169 A CA 1.178 52.831 52.037 -0.640 0.000 0.623 169 A CB -0.548 17.704 19.000 -1.246 0.000 0.818 169 A HN 0.769 nan 8.150 nan 0.000 0.443 173 A N 1.533 124.359 122.820 0.009 0.000 1.902 173 A HA -0.138 4.182 4.320 0.000 0.000 0.217 173 A C 2.185 179.815 177.584 0.076 0.000 1.181 173 A CA 1.874 54.019 52.037 0.180 0.000 0.623 173 A CB -0.523 18.707 19.000 0.382 0.000 0.818 173 A HN 0.350 nan 8.150 nan 0.000 0.443 174 R N -0.632 119.880 120.500 0.021 0.000 2.073 174 R HA -0.055 4.285 4.340 0.000 0.000 0.234 174 R C 2.033 178.287 176.300 -0.077 0.000 1.134 174 R CA 1.633 57.722 56.100 -0.018 0.000 0.952 174 R CB -0.515 29.753 30.300 -0.053 0.000 0.850 174 R HN 0.580 nan 8.270 nan 0.000 0.433 175 I N 0.654 121.145 120.570 -0.132 0.000 2.226 175 I HA -0.280 3.890 4.170 0.000 0.000 0.245 175 I C 1.914 177.978 176.117 -0.087 0.000 1.100 175 I CA 1.067 62.284 61.300 -0.138 0.000 1.374 175 I CB -0.188 37.730 38.000 -0.136 0.000 1.057 175 I HN 0.082 nan 8.210 nan 0.000 0.413 176 L N 0.597 121.740 121.223 -0.133 0.000 2.141 176 L HA -0.103 4.237 4.340 0.000 0.000 0.209 176 L C 2.638 179.475 176.870 -0.055 0.000 1.094 176 L CA 1.846 56.595 54.840 -0.151 0.000 0.763 176 L CB -1.056 40.786 42.059 -0.362 0.000 0.908 176 L HN 0.178 nan 8.230 nan 0.000 0.437 177 A N -0.705 122.109 122.820 -0.010 0.000 1.898 177 A HA -0.248 4.072 4.320 0.000 0.000 0.216 177 A C 2.337 179.935 177.584 0.022 0.000 1.181 177 A CA 1.645 53.698 52.037 0.026 0.000 0.620 177 A CB -0.568 18.464 19.000 0.053 0.000 0.819 177 A HN 0.495 nan 8.150 nan 0.000 0.442 178 E N 0.109 120.317 120.200 0.014 0.000 2.118 178 E HA -0.142 4.208 4.350 0.000 0.000 0.195 178 E C 1.857 178.482 176.600 0.041 0.000 0.992 178 E CA 1.095 57.516 56.400 0.035 0.000 0.804 178 E CB -0.267 29.463 29.700 0.050 0.000 0.741 178 E HN 0.519 nan 8.360 nan 0.000 0.458 179 A N 0.054 122.890 122.820 0.026 0.000 2.209 179 A HA 0.141 4.461 4.320 0.000 0.000 0.212 179 A C 1.768 179.374 177.584 0.036 0.000 1.158 179 A CA 1.106 53.161 52.037 0.030 0.000 0.742 179 A CB -0.535 18.472 19.000 0.012 0.000 0.790 179 A HN 0.563 nan 8.150 nan 0.000 0.472 180 G N -1.582 107.239 108.800 0.034 0.000 2.131 180 G HA2 -0.202 3.758 3.960 0.000 0.000 0.223 180 G HA3 -0.202 3.758 3.960 0.000 0.000 0.223 180 G C 0.223 175.149 174.900 0.042 0.000 0.990 180 G CA 0.188 45.315 45.100 0.046 0.000 0.671 180 G HN 0.631 nan 8.290 nan 0.000 0.521 181 T N 2.902 117.459 114.554 0.005 0.000 2.793 181 T HA 0.416 4.766 4.350 0.000 0.000 0.289 181 T C -1.589 173.083 174.700 -0.046 0.000 0.956 181 T CA -0.136 61.931 62.100 -0.054 0.000 1.177 181 T CB 1.129 69.944 68.868 -0.087 0.000 0.897 181 T HN 0.211 nan 8.240 nan 0.000 0.533 182 P HA 0.211 nan 4.420 nan 0.000 0.268 182 P C -0.367 176.913 177.300 -0.033 0.000 1.208 182 P CA -0.393 62.697 63.100 -0.018 0.000 0.777 182 P CB 0.337 32.052 31.700 0.025 0.000 0.875 183 A N 2.404 125.230 122.820 0.010 0.000 2.540 183 A HA 0.399 4.719 4.320 0.000 0.000 0.239 183 A C 1.628 179.203 177.584 -0.016 0.000 1.061 183 A CA 0.814 52.859 52.037 0.014 0.000 0.758 183 A CB -1.339 17.680 19.000 0.032 0.000 0.991 183 A HN 0.885 nan 8.150 nan 0.000 0.502 184 G N 1.036 109.817 108.800 -0.032 0.000 2.284 184 G HA2 -0.302 3.659 3.960 0.000 0.000 0.247 184 G HA3 -0.302 3.659 3.960 0.000 0.000 0.247 184 G C 1.056 175.910 174.900 -0.076 0.000 1.012 184 G CA 0.745 45.809 45.100 -0.060 0.000 0.618 184 G HN 1.244 nan 8.290 nan 0.000 0.521 185 V N -0.537 119.297 119.914 -0.132 0.000 2.358 185 V HA 0.175 4.295 4.120 0.000 0.000 0.246 185 V C 1.166 177.171 176.094 -0.148 0.000 1.047 185 V CA 2.094 64.216 62.300 -0.297 0.000 1.035 185 V CB -0.229 31.149 31.823 -0.741 0.000 0.658 185 V HN 0.581 nan 8.190 nan 0.000 0.452 186 Y N -0.361 119.843 120.300 -0.161 0.000 2.376 186 Y HA 0.685 5.235 4.550 0.000 0.000 0.340 186 Y C 0.004 175.928 175.900 0.040 0.000 0.965 186 Y CA -0.212 57.874 58.100 -0.025 0.000 1.078 186 Y CB 1.597 40.023 38.460 -0.056 0.000 1.193 186 Y HN 0.082 nan 8.280 nan 0.000 0.452 187 G N 4.559 113.045 108.800 -0.524 0.000 2.660 187 G HA2 0.510 4.470 3.960 0.000 0.000 0.290 187 G HA3 0.510 4.470 3.960 0.000 0.000 0.290 187 G C -2.285 172.469 174.900 -0.243 0.000 1.432 187 G CA -0.783 44.177 45.100 -0.233 0.000 0.807 187 G HN 0.817 nan 8.290 nan 0.000 0.485 188 W N -0.420 120.752 121.300 -0.213 0.000 3.118 188 W HA 0.782 5.443 4.660 0.000 0.000 0.328 188 W C -2.394 174.100 176.519 -0.042 0.000 1.239 188 W CA -1.462 55.801 57.345 -0.137 0.000 1.176 188 W CB 1.204 30.645 29.460 -0.031 0.000 1.433 188 W HN 0.928 nan 8.180 nan 0.000 0.562 189 V N 2.908 122.631 119.914 -0.319 0.000 2.851 189 V HA 0.264 4.384 4.120 0.000 0.000 0.307 189 V C -0.997 174.891 176.094 -0.344 0.000 1.129 189 V CA -0.607 61.383 62.300 -0.518 0.000 0.932 189 V CB 2.031 33.706 31.823 -0.246 0.000 1.024 189 V HN 0.622 nan 8.190 nan 0.000 0.426 190 N N 4.989 123.424 118.700 -0.441 0.000 3.254 190 N HA 0.437 5.177 4.740 0.000 0.000 0.308 190 N C 0.029 175.686 175.510 0.245 0.000 1.281 190 N CA 0.500 53.559 53.050 0.015 0.000 1.212 190 N CB 0.346 38.825 38.487 -0.013 0.000 1.478 190 N HN 0.909 nan 8.380 nan 0.000 0.548 191 A N 1.773 124.691 122.820 0.162 0.000 2.354 191 A HA 0.344 4.664 4.320 0.000 0.000 0.269 191 A C 0.517 178.079 177.584 -0.036 0.000 1.109 191 A CA -0.747 51.336 52.037 0.077 0.000 0.800 191 A CB 0.181 19.170 19.000 -0.019 0.000 1.045 191 A HN 0.768 nan 8.150 nan 0.000 0.489 192 N N 1.783 120.257 118.700 -0.376 0.000 2.364 192 N HA 0.066 4.806 4.740 0.000 0.000 0.264 192 N C 0.393 175.631 175.510 -0.452 0.000 1.263 192 N CA -0.482 52.004 53.050 -0.939 0.000 0.959 192 N CB 0.049 37.672 38.487 -1.439 0.000 1.204 192 N HN 0.485 nan 8.380 nan 0.000 0.550 193 N N 0.072 118.526 118.700 -0.409 0.000 2.149 193 N HA -0.160 4.580 4.740 0.000 0.000 0.188 193 N C 1.005 176.413 175.510 -0.170 0.000 1.019 193 N CA 1.200 54.119 53.050 -0.219 0.000 0.857 193 N CB -0.272 38.113 38.487 -0.171 0.000 0.997 193 N HN 0.677 nan 8.380 nan 0.000 0.426 194 E N -0.094 119.991 120.200 -0.191 0.000 2.077 194 E HA -0.085 4.265 4.350 0.000 0.000 0.193 194 E C 2.074 178.606 176.600 -0.114 0.000 0.989 194 E CA 1.099 57.419 56.400 -0.133 0.000 0.800 194 E CB -0.281 29.342 29.700 -0.128 0.000 0.746 194 E HN 0.419 nan 8.360 nan 0.000 0.452 195 G N 0.819 109.538 108.800 -0.135 0.000 2.418 195 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 195 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 195 G C 1.747 176.595 174.900 -0.086 0.000 1.158 195 G CA 0.713 45.754 45.100 -0.098 0.000 0.771 195 G HN 0.116 nan 8.290 nan 0.000 0.545 196 V N 1.192 121.048 119.914 -0.096 0.000 2.287 196 V HA -0.207 3.913 4.120 0.000 0.000 0.248 196 V C 3.128 179.181 176.094 -0.069 0.000 1.053 196 V CA 2.277 64.530 62.300 -0.078 0.000 1.027 196 V CB -0.713 31.066 31.823 -0.074 0.000 0.646 196 V HN 0.365 nan 8.190 nan 0.000 0.447 197 S N -1.157 114.502 115.700 -0.069 0.000 2.370 197 S HA -0.220 4.250 4.470 0.000 0.000 0.226 197 S C 1.266 175.837 174.600 -0.050 0.000 1.033 197 S CA 1.154 59.321 58.200 -0.055 0.000 1.011 197 S CB -0.287 62.880 63.200 -0.054 0.000 0.852 197 S HN 0.728 nan 8.310 nan 0.000 0.457 201 N N 1.218 119.899 118.700 -0.032 0.000 2.398 201 N HA -0.002 4.738 4.740 0.000 0.000 0.188 201 N C 0.233 175.728 175.510 -0.025 0.000 1.122 201 N CA 0.214 53.249 53.050 -0.025 0.000 0.866 201 N CB 0.416 38.890 38.487 -0.023 0.000 0.970 201 N HN 0.249 nan 8.380 nan 0.000 0.462 202 D N 0.812 121.192 120.400 -0.032 0.000 2.264 202 D HA 0.058 4.698 4.640 0.000 0.000 0.250 202 D C -1.547 174.735 176.300 -0.030 0.000 1.113 202 D CA -2.042 51.939 54.000 -0.031 0.000 0.871 202 D CB 1.573 42.350 40.800 -0.038 0.000 1.167 202 D HN 0.041 nan 8.370 nan 0.000 0.447 203 P HA -0.089 nan 4.420 nan 0.000 0.225 203 P C 0.949 178.234 177.300 -0.026 0.000 1.148 203 P CA 0.700 63.789 63.100 -0.017 0.000 0.779 203 P CB 0.337 32.033 31.700 -0.006 0.000 0.780 204 R N -0.963 119.517 120.500 -0.032 0.000 2.189 204 R HA 0.057 4.397 4.340 0.000 0.000 0.218 204 R C 0.802 177.052 176.300 -0.083 0.000 1.074 204 R CA 0.326 56.400 56.100 -0.045 0.000 0.991 204 R CB -0.195 30.085 30.300 -0.035 0.000 0.883 204 R HN 0.165 nan 8.270 nan 0.000 0.457 205 I N 0.843 121.365 120.570 -0.080 0.000 2.352 205 I HA 0.069 4.239 4.170 0.000 0.000 0.290 205 I C 1.137 177.203 176.117 -0.084 0.000 1.036 205 I CA -0.062 61.178 61.300 -0.101 0.000 1.336 205 I CB 0.989 38.934 38.000 -0.093 0.000 1.407 205 I HN 0.083 nan 8.210 nan 0.000 0.497 206 A N 5.609 128.363 122.820 -0.108 0.000 1.943 206 A HA 0.587 4.907 4.320 0.000 0.000 0.213 206 A C 0.995 178.577 177.584 -0.002 0.000 1.181 206 A CA 1.049 53.046 52.037 -0.068 0.000 0.653 206 A CB 0.199 19.130 19.000 -0.116 0.000 0.833 206 A HN 0.778 nan 8.150 nan 0.000 0.451 207 A N -2.209 120.608 122.820 -0.005 0.000 2.581 207 A HA 0.620 4.940 4.320 0.000 0.000 0.290 207 A C -1.461 176.126 177.584 0.006 0.000 1.119 207 A CA -0.243 51.848 52.037 0.090 0.000 0.670 207 A CB 0.628 19.816 19.000 0.313 0.000 1.280 207 A HN 0.600 nan 8.150 nan 0.000 0.425 208 V N -0.133 119.837 119.914 0.094 0.000 2.925 208 V HA 0.826 4.946 4.120 0.000 0.000 0.311 208 V C -0.280 175.855 176.094 0.068 0.000 1.104 208 V CA -0.348 61.948 62.300 -0.006 0.000 0.954 208 V CB 1.998 33.825 31.823 0.007 0.000 1.022 208 V HN 1.110 nan 8.190 nan 0.000 0.427 209 T N 2.878 117.398 114.554 -0.056 0.000 2.881 209 T HA 0.745 5.095 4.350 0.000 0.000 0.290 209 T C -1.418 173.266 174.700 -0.027 0.000 1.000 209 T CA -0.278 61.844 62.100 0.038 0.000 0.978 209 T CB 1.364 70.248 68.868 0.026 0.000 0.997 209 T HN 0.477 nan 8.240 nan 0.000 0.443 210 V N 4.510 124.417 119.914 -0.012 0.000 2.638 210 V HA 0.633 4.753 4.120 0.000 0.000 0.306 210 V C -0.153 175.922 176.094 -0.032 0.000 1.052 210 V CA -0.769 61.508 62.300 -0.038 0.000 0.885 210 V CB 2.263 34.054 31.823 -0.053 0.000 0.999 210 V HN 0.999 nan 8.190 nan 0.000 0.424 211 T N 3.320 117.859 114.554 -0.026 0.000 2.840 211 T HA 0.854 5.204 4.350 0.000 0.000 0.287 211 T C 0.267 174.944 174.700 -0.039 0.000 0.991 211 T CA 0.158 62.250 62.100 -0.014 0.000 0.964 211 T CB 1.559 70.433 68.868 0.009 0.000 0.954 211 T HN 1.294 nan 8.240 nan 0.000 0.438 212 G N 1.911 110.674 108.800 -0.061 0.000 2.399 212 G HA2 0.458 4.418 3.960 0.000 0.000 0.256 212 G HA3 0.458 4.418 3.960 0.000 0.000 0.256 212 G C -0.610 174.214 174.900 -0.127 0.000 1.236 212 G CA -0.233 44.803 45.100 -0.108 0.000 0.914 212 G HN 0.919 nan 8.290 nan 0.000 0.482 213 S N -0.664 114.963 115.700 -0.121 0.000 2.632 213 S HA 0.486 4.956 4.470 0.000 0.000 0.267 213 S C 1.469 176.044 174.600 -0.040 0.000 1.276 213 S CA 0.233 58.370 58.200 -0.106 0.000 0.998 213 S CB 1.526 64.673 63.200 -0.089 0.000 0.953 213 S HN 1.163 nan 8.310 nan 0.000 0.547 214 V N 1.999 121.916 119.914 0.006 0.000 2.332 214 V HA -0.175 3.945 4.120 0.000 0.000 0.248 214 V C 2.915 179.010 176.094 0.003 0.000 1.055 214 V CA 2.108 64.423 62.300 0.025 0.000 1.038 214 V CB -1.061 30.809 31.823 0.080 0.000 0.651 214 V HN 0.826 nan 8.190 nan 0.000 0.450 215 R N -0.095 120.408 120.500 0.005 0.000 2.073 215 R HA -0.144 4.197 4.340 0.000 0.000 0.234 215 R C 2.461 178.759 176.300 -0.004 0.000 1.134 215 R CA 1.594 57.696 56.100 0.003 0.000 0.952 215 R CB -0.632 29.674 30.300 0.010 0.000 0.850 215 R HN 0.544 nan 8.270 nan 0.000 0.433 216 A N 0.468 123.282 122.820 -0.010 0.000 1.877 216 A HA -0.096 4.224 4.320 0.000 0.000 0.216 216 A C 2.381 179.952 177.584 -0.022 0.000 1.186 216 A CA 1.816 53.846 52.037 -0.013 0.000 0.620 216 A CB -1.249 17.743 19.000 -0.014 0.000 0.822 216 A HN 0.493 nan 8.150 nan 0.000 0.443 217 G N -0.538 108.243 108.800 -0.033 0.000 2.440 217 G HA2 -0.023 3.937 3.960 0.000 0.000 0.218 217 G HA3 -0.023 3.937 3.960 0.000 0.000 0.218 217 G C 1.744 176.628 174.900 -0.027 0.000 1.154 217 G CA 1.562 46.632 45.100 -0.050 0.000 0.767 217 G HN 0.825 nan 8.290 nan 0.000 0.552 218 A N 1.052 123.866 122.820 -0.011 0.000 1.898 218 A HA 0.310 4.630 4.320 0.000 0.000 0.216 218 A C 2.807 180.397 177.584 0.010 0.000 1.181 218 A CA 2.198 54.239 52.037 0.008 0.000 0.620 218 A CB -0.727 18.276 19.000 0.006 0.000 0.819 218 A HN 0.760 nan 8.150 nan 0.000 0.442 219 A N -0.153 122.667 122.820 0.000 0.000 1.898 219 A HA -0.035 4.285 4.320 0.000 0.000 0.216 219 A C 2.116 179.699 177.584 -0.002 0.000 1.181 219 A CA 1.526 53.561 52.037 -0.003 0.000 0.620 219 A CB -0.547 18.447 19.000 -0.009 0.000 0.819 219 A HN 0.478 nan 8.150 nan 0.000 0.442 220 I N -0.428 120.138 120.570 -0.006 0.000 2.286 220 I HA -0.119 4.051 4.170 0.000 0.000 0.245 220 I C 2.716 178.843 176.117 0.016 0.000 1.104 220 I CA 0.971 62.267 61.300 -0.006 0.000 1.397 220 I CB -0.599 37.391 38.000 -0.017 0.000 1.072 220 I HN 0.374 nan 8.210 nan 0.000 0.417 221 G N 0.695 109.512 108.800 0.029 0.000 2.469 221 G HA2 -0.295 3.665 3.960 0.000 0.000 0.219 221 G HA3 -0.295 3.665 3.960 0.000 0.000 0.219 221 G C 1.862 176.807 174.900 0.076 0.000 1.150 221 G CA 0.936 46.085 45.100 0.081 0.000 0.763 221 G HN 0.489 nan 8.290 nan 0.000 0.561 222 A N 0.465 123.314 122.820 0.047 0.000 1.902 222 A HA -0.107 4.213 4.320 0.000 0.000 0.217 222 A C 2.374 179.971 177.584 0.022 0.000 1.181 222 A CA 1.993 54.049 52.037 0.032 0.000 0.623 222 A CB -0.415 18.596 19.000 0.019 0.000 0.818 222 A HN 0.502 nan 8.150 nan 0.000 0.443 223 Q N -0.609 119.200 119.800 0.015 0.000 2.079 223 Q HA -0.039 4.301 4.340 0.000 0.000 0.200 223 Q C 2.441 178.448 176.000 0.013 0.000 0.974 223 Q CA 1.255 57.062 55.803 0.006 0.000 0.840 223 Q CB -0.400 28.334 28.738 -0.006 0.000 0.898 223 Q HN 0.657 nan 8.270 nan 0.000 0.430 224 A N 1.400 124.236 122.820 0.026 0.000 1.902 224 A HA -0.110 4.211 4.320 0.000 0.000 0.217 224 A C 2.345 179.953 177.584 0.040 0.000 1.181 224 A CA 1.650 53.710 52.037 0.037 0.000 0.623 224 A CB -1.313 17.724 19.000 0.062 0.000 0.818 224 A HN 0.468 nan 8.150 nan 0.000 0.443 225 G N -0.415 108.413 108.800 0.047 0.000 2.446 225 G HA2 -0.040 3.920 3.960 0.000 0.000 0.217 225 G HA3 -0.040 3.920 3.960 0.000 0.000 0.217 225 G C 1.746 176.657 174.900 0.017 0.000 1.168 225 G CA 1.551 46.672 45.100 0.034 0.000 0.771 225 G HN 0.860 nan 8.290 nan 0.000 0.551 226 A N 0.770 123.599 122.820 0.014 0.000 2.019 226 A HA 0.348 4.668 4.320 0.000 0.000 0.219 226 A C 2.537 180.123 177.584 0.004 0.000 1.164 226 A CA 2.018 54.059 52.037 0.006 0.000 0.644 226 A CB -0.413 18.589 19.000 0.003 0.000 0.805 226 A HN 0.856 nan 8.150 nan 0.000 0.449 227 A N -1.260 121.564 122.820 0.007 0.000 2.251 227 A HA 0.509 4.829 4.320 0.000 0.000 0.209 227 A C 0.927 178.516 177.584 0.008 0.000 1.187 227 A CA 0.360 52.400 52.037 0.004 0.000 0.823 227 A CB -0.624 18.377 19.000 0.001 0.000 0.846 227 A HN 0.849 nan 8.150 nan 0.000 0.486 228 L N -1.591 119.639 121.223 0.012 0.000 3.717 228 L HA -0.216 4.124 4.340 0.000 0.000 0.411 228 L C -0.416 176.468 176.870 0.023 0.000 1.233 228 L CA 0.668 55.516 54.840 0.013 0.000 0.917 228 L CB -1.870 40.194 42.059 0.008 0.000 1.902 228 L HN 0.416 nan 8.230 nan 0.000 0.894 229 K N 0.981 121.401 120.400 0.033 0.000 2.270 229 K HA 0.516 4.836 4.320 0.000 0.000 0.255 229 K C 0.100 176.748 176.600 0.080 0.000 0.936 229 K CA -0.945 55.372 56.287 0.050 0.000 0.809 229 K CB 2.179 34.703 32.500 0.040 0.000 1.131 229 K HN 0.113 nan 8.250 nan 0.000 0.427 230 K N 0.790 121.252 120.400 0.103 0.000 2.168 230 K HA 0.413 4.733 4.320 0.000 0.000 0.258 230 K C -0.291 176.435 176.600 0.210 0.000 1.010 230 K CA -0.645 55.720 56.287 0.131 0.000 0.929 230 K CB 0.625 33.179 32.500 0.091 0.000 0.998 230 K HN 0.757 nan 8.250 nan 0.000 0.479 231 C N -1.088 118.369 119.300 0.261 0.000 3.090 231 C HA 0.736 5.196 4.460 0.000 0.000 0.305 231 C C -0.686 174.478 174.990 0.290 0.000 1.292 231 C CA -1.053 58.137 59.018 0.287 0.000 1.482 231 C CB 0.853 28.713 27.740 0.200 0.000 1.897 231 C HN 0.596 nan 8.230 nan 0.000 0.469 232 V N 2.173 122.211 119.914 0.207 0.000 2.448 232 V HA 0.563 4.683 4.120 0.000 0.000 0.295 232 V C -0.386 175.640 176.094 -0.114 0.000 1.025 232 V CA -0.283 62.056 62.300 0.066 0.000 0.859 232 V CB 1.523 33.447 31.823 0.168 0.000 0.988 232 V HN 0.798 nan 8.190 nan 0.000 0.431 233 L N 4.999 125.969 121.223 -0.422 0.000 2.342 233 L HA 0.595 4.935 4.340 0.000 0.000 0.276 233 L C -0.272 176.439 176.870 -0.265 0.000 0.997 233 L CA -0.419 54.181 54.840 -0.401 0.000 0.838 233 L CB 1.741 43.394 42.059 -0.676 0.000 1.224 233 L HN 0.532 nan 8.230 nan 0.000 0.416 234 E N 5.746 125.878 120.200 -0.112 0.000 2.121 234 E HA 0.459 4.809 4.350 0.000 0.000 0.255 234 E C -0.533 176.055 176.600 -0.020 0.000 0.906 234 E CA -0.210 56.169 56.400 -0.034 0.000 0.745 234 E CB 2.042 31.791 29.700 0.082 0.000 1.155 234 E HN 0.523 nan 8.360 nan 0.000 0.424 235 L N 0.040 121.242 121.223 -0.034 0.000 2.793 235 L HA 0.600 4.940 4.340 0.000 0.000 0.242 235 L C 1.264 178.146 176.870 0.021 0.000 1.315 235 L CA -1.165 53.667 54.840 -0.014 0.000 1.263 235 L CB 0.072 42.123 42.059 -0.014 0.000 2.076 235 L HN 0.370 nan 8.230 nan 0.000 0.575 236 G N -1.415 107.407 108.800 0.036 0.000 2.653 236 G HA2 0.486 4.447 3.960 0.000 0.000 0.265 236 G HA3 0.486 4.447 3.960 0.000 0.000 0.265 236 G C -0.463 174.410 174.900 -0.045 0.000 1.237 236 G CA 0.249 45.328 45.100 -0.035 0.000 0.946 236 G HN 0.777 nan 8.290 nan 0.000 0.522 237 G N -2.348 106.301 108.800 -0.251 0.000 2.695 237 G HA2 0.470 4.430 3.960 0.000 0.000 0.290 237 G HA3 0.470 4.430 3.960 0.000 0.000 0.290 237 G C -0.857 173.703 174.900 -0.566 0.000 1.410 237 G CA 0.159 45.084 45.100 -0.293 0.000 0.844 237 G HN 1.036 nan 8.290 nan 0.000 0.478 238 S N 0.363 115.812 115.700 -0.419 0.000 2.235 238 S HA 0.307 4.777 4.470 0.000 0.000 0.152 238 S C -0.998 173.471 174.600 -0.218 0.000 1.649 238 S CA -0.611 57.377 58.200 -0.354 0.000 1.277 238 S CB -0.272 62.717 63.200 -0.352 0.000 1.299 238 S HN 0.440 nan 8.310 nan 0.000 0.388 239 D N 4.717 125.012 120.400 -0.175 0.000 2.458 239 D HA 0.224 4.864 4.640 0.000 0.000 0.243 239 D C -2.137 174.056 176.300 -0.178 0.000 1.146 239 D CA -0.854 53.072 54.000 -0.124 0.000 0.877 239 D CB 0.921 41.682 40.800 -0.064 0.000 1.176 239 D HN 0.329 nan 8.370 nan 0.000 0.461 240 P HA 0.247 nan 4.420 nan 0.000 0.282 240 P C -0.969 176.288 177.300 -0.072 0.000 1.249 240 P CA -0.545 62.464 63.100 -0.151 0.000 0.806 240 P CB 0.583 32.219 31.700 -0.107 0.000 0.984 241 F N 3.435 123.218 119.950 -0.278 0.000 2.610 241 F HA 0.476 5.003 4.527 0.000 0.000 0.355 241 F C -0.690 175.060 175.800 -0.083 0.000 1.140 241 F CA -0.911 56.995 58.000 -0.157 0.000 1.037 241 F CB 0.648 39.476 39.000 -0.287 0.000 1.287 241 F HN 0.093 nan 8.300 nan 0.000 0.457 242 I N 6.580 127.125 120.570 -0.042 0.000 2.353 242 I HA 0.400 4.570 4.170 0.000 0.000 0.293 242 I C -0.865 175.253 176.117 0.001 0.000 0.992 242 I CA -0.959 60.330 61.300 -0.017 0.000 1.268 242 I CB 1.620 39.591 38.000 -0.047 0.000 1.387 242 I HN 0.217 nan 8.210 nan 0.000 0.478 243 V N 7.459 127.366 119.914 -0.012 0.000 2.376 243 V HA 0.392 4.512 4.120 0.000 0.000 0.287 243 V C 0.144 176.235 176.094 -0.006 0.000 1.015 243 V CA -0.525 61.773 62.300 -0.003 0.000 0.834 243 V CB 1.320 33.041 31.823 -0.170 0.000 1.001 243 V HN 0.516 nan 8.190 nan 0.000 0.428 244 L N 2.978 124.225 121.223 0.040 0.000 2.431 244 L HA 0.486 4.826 4.340 0.000 0.000 0.260 244 L C 1.493 178.392 176.870 0.047 0.000 1.098 244 L CA -0.733 54.126 54.840 0.032 0.000 0.800 244 L CB 0.648 42.725 42.059 0.029 0.000 1.210 244 L HN 0.479 nan 8.230 nan 0.000 0.465 245 N N 1.175 119.900 118.700 0.041 0.000 2.192 245 N HA -0.187 4.553 4.740 0.000 0.000 0.188 245 N C 0.860 176.405 175.510 0.057 0.000 1.013 245 N CA 1.416 54.495 53.050 0.048 0.000 0.863 245 N CB -0.340 38.171 38.487 0.040 0.000 0.990 245 N HN 0.653 nan 8.380 nan 0.000 0.430 246 D N -0.651 119.783 120.400 0.057 0.000 2.358 246 D HA 0.161 4.802 4.640 0.000 0.000 0.224 246 D C 0.219 176.570 176.300 0.085 0.000 1.123 246 D CA -0.299 53.738 54.000 0.061 0.000 0.833 246 D CB -0.433 40.394 40.800 0.046 0.000 0.946 246 D HN 0.085 nan 8.370 nan 0.000 0.505 247 A N 0.500 123.387 122.820 0.112 0.000 2.406 247 A HA 0.167 4.487 4.320 0.000 0.000 0.243 247 A C 0.328 178.015 177.584 0.171 0.000 1.082 247 A CA -0.340 51.803 52.037 0.176 0.000 0.786 247 A CB 0.204 19.337 19.000 0.221 0.000 1.029 247 A HN 0.147 nan 8.150 nan 0.000 0.495 248 D N 1.615 122.152 120.400 0.229 0.000 2.367 248 D HA 0.067 4.707 4.640 0.000 0.000 0.255 248 D C 0.922 177.315 176.300 0.154 0.000 1.300 248 D CA -0.250 53.864 54.000 0.189 0.000 0.959 248 D CB 0.264 41.202 40.800 0.230 0.000 1.064 248 D HN 0.371 nan 8.370 nan 0.000 0.509 249 L N 4.495 125.785 121.223 0.112 0.000 2.046 249 L HA -0.106 4.235 4.340 0.000 0.000 0.208 249 L C 2.038 178.937 176.870 0.049 0.000 1.077 249 L CA 1.885 56.782 54.840 0.096 0.000 0.747 249 L CB -0.520 41.598 42.059 0.099 0.000 0.896 249 L HN 0.564 nan 8.230 nan 0.000 0.432 250 E N -0.829 119.397 120.200 0.044 0.000 2.038 250 E HA -0.285 4.065 4.350 0.000 0.000 0.195 250 E C 2.196 178.803 176.600 0.011 0.000 1.000 250 E CA 1.735 58.148 56.400 0.022 0.000 0.803 250 E CB -0.295 29.427 29.700 0.038 0.000 0.750 250 E HN 0.427 nan 8.360 nan 0.000 0.448 251 L N 0.707 121.958 121.223 0.047 0.000 2.093 251 L HA -0.026 4.315 4.340 0.000 0.000 0.208 251 L C 2.240 178.989 176.870 -0.202 0.000 1.085 251 L CA 2.022 56.898 54.840 0.061 0.000 0.755 251 L CB -0.655 41.558 42.059 0.257 0.000 0.904 251 L HN 0.208 nan 8.230 nan 0.000 0.435 252 A N -1.105 121.447 122.820 -0.447 0.000 1.908 252 A HA -0.160 4.160 4.320 0.000 0.000 0.218 252 A C 2.254 179.739 177.584 -0.165 0.000 1.181 252 A CA 2.084 53.602 52.037 -0.864 0.000 0.627 252 A CB -1.093 17.612 19.000 -0.493 0.000 0.818 252 A HN 0.292 nan 8.150 nan 0.000 0.445 253 V N 0.085 119.959 119.914 -0.066 0.000 2.358 253 V HA -0.270 3.850 4.120 0.000 0.000 0.246 253 V C 2.451 178.470 176.094 -0.124 0.000 1.047 253 V CA 2.339 64.564 62.300 -0.126 0.000 1.035 253 V CB -0.693 31.004 31.823 -0.211 0.000 0.658 253 V HN 0.544 nan 8.190 nan 0.000 0.452 254 K N 0.370 120.722 120.400 -0.080 0.000 2.032 254 K HA -0.155 4.165 4.320 0.000 0.000 0.209 254 K C 2.283 178.890 176.600 0.011 0.000 1.048 254 K CA 1.616 57.903 56.287 0.001 0.000 0.927 254 K CB -0.441 32.125 32.500 0.110 0.000 0.712 254 K HN 0.473 nan 8.250 nan 0.000 0.441 255 A N 1.265 123.975 122.820 -0.184 0.000 1.969 255 A HA -0.046 4.274 4.320 0.000 0.000 0.218 255 A C 2.303 179.920 177.584 0.055 0.000 1.169 255 A CA 1.617 53.481 52.037 -0.288 0.000 0.635 255 A CB -0.507 18.330 19.000 -0.270 0.000 0.810 255 A HN 0.337 nan 8.150 nan 0.000 0.445 256 A N -0.480 122.276 122.820 -0.106 0.000 1.873 256 A HA 0.028 4.348 4.320 0.000 0.000 0.215 256 A C 2.210 179.856 177.584 0.103 0.000 1.186 256 A CA 1.714 53.559 52.037 -0.320 0.000 0.616 256 A CB -0.894 17.915 19.000 -0.319 0.000 0.823 256 A HN 0.351 nan 8.150 nan 0.000 0.442 257 V N -0.083 119.844 119.914 0.021 0.000 2.295 257 V HA -0.225 3.895 4.120 0.000 0.000 0.246 257 V C 3.057 179.253 176.094 0.169 0.000 1.049 257 V CA 1.939 64.236 62.300 -0.004 0.000 1.024 257 V CB -1.225 30.455 31.823 -0.238 0.000 0.648 257 V HN 0.605 nan 8.190 nan 0.000 0.447 258 A N 0.482 123.402 122.820 0.168 0.000 1.933 258 A HA -0.074 4.247 4.320 0.000 0.000 0.218 258 A C 2.408 180.109 177.584 0.196 0.000 1.175 258 A CA 1.907 54.072 52.037 0.214 0.000 0.628 258 A CB -1.183 18.027 19.000 0.350 0.000 0.814 258 A HN 0.526 nan 8.150 nan 0.000 0.444 259 G N -0.469 108.454 108.800 0.206 0.000 2.418 259 G HA2 -0.235 3.726 3.960 0.000 0.000 0.217 259 G HA3 -0.235 3.726 3.960 0.000 0.000 0.217 259 G C 1.734 176.690 174.900 0.094 0.000 1.158 259 G CA 1.287 46.493 45.100 0.176 0.000 0.771 259 G HN 0.545 nan 8.290 nan 0.000 0.545 260 R N -0.476 120.075 120.500 0.085 0.000 2.075 260 R HA 0.075 4.415 4.340 0.000 0.000 0.226 260 R C 1.880 177.998 176.300 -0.303 0.000 1.114 260 R CA 1.046 57.064 56.100 -0.137 0.000 0.972 260 R CB -0.599 29.586 30.300 -0.192 0.000 0.869 260 R HN 0.434 nan 8.270 nan 0.000 0.437 261 Y N 1.603 121.951 120.300 0.079 0.000 2.462 261 Y HA 0.191 4.741 4.550 0.000 0.000 0.261 261 Y C 0.114 176.016 175.900 0.003 0.000 1.146 261 Y CA -0.299 57.815 58.100 0.023 0.000 1.283 261 Y CB -0.306 38.146 38.460 -0.014 0.000 1.090 261 Y HN 0.173 nan 8.280 nan 0.000 0.526 262 Q N 0.757 120.626 119.800 0.115 0.000 2.326 262 Q HA -0.124 4.216 4.340 0.000 0.000 0.314 262 Q C 0.205 176.221 176.000 0.025 0.000 1.091 262 Q CA 0.382 56.230 55.803 0.074 0.000 0.974 262 Q CB 0.067 28.855 28.738 0.084 0.000 1.220 262 Q HN 0.265 nan 8.270 nan 0.000 0.398 263 N N 0.815 119.512 118.700 -0.005 0.000 2.721 263 N HA -0.213 4.527 4.740 0.000 0.000 0.249 263 N C -0.993 174.478 175.510 -0.066 0.000 1.072 263 N CA 1.365 54.364 53.050 -0.086 0.000 0.710 263 N CB -1.551 36.806 38.487 -0.217 0.000 0.993 263 N HN 0.899 nan 8.380 nan 0.000 0.547 264 T N -1.910 112.645 114.554 0.002 0.000 3.897 264 T HA -0.118 4.232 4.350 0.000 0.000 0.353 264 T C 1.382 176.082 174.700 -0.001 0.000 0.758 264 T CA 1.875 63.999 62.100 0.040 0.000 1.883 264 T CB -1.950 66.928 68.868 0.017 0.000 1.849 264 T HN 1.603 nan 8.240 nan 0.000 0.791 265 G N 0.160 108.930 108.800 -0.051 0.000 2.205 265 G HA2 -0.330 3.630 3.960 0.000 0.000 0.261 265 G HA3 -0.330 3.630 3.960 0.000 0.000 0.261 265 G C 0.062 174.712 174.900 -0.417 0.000 0.980 265 G CA 0.427 45.424 45.100 -0.172 0.000 0.632 265 G HN 0.708 nan 8.290 nan 0.000 0.533 266 Q N 0.461 119.974 119.800 -0.478 0.000 3.207 266 Q HA 0.517 4.857 4.340 0.000 0.000 0.335 266 Q C -0.411 175.082 176.000 -0.845 0.000 1.374 266 Q CA -0.086 55.093 55.803 -1.041 0.000 1.023 266 Q CB 1.047 29.603 28.738 -0.304 0.000 1.576 266 Q HN 0.297 nan 8.270 nan 0.000 0.515 267 V N -0.316 119.198 119.914 -0.668 0.000 2.638 267 V HA 0.078 4.198 4.120 0.000 0.000 0.306 267 V C 0.647 176.825 176.094 0.141 0.000 1.052 267 V CA -0.769 61.521 62.300 -0.017 0.000 0.885 267 V CB 1.709 33.593 31.823 0.101 0.000 0.999 267 V HN 0.656 nan 8.190 nan 0.000 0.424 268 C N 2.853 122.376 119.300 0.372 0.000 2.425 268 C HA -0.038 4.422 4.460 0.000 0.000 0.277 268 C C 2.203 177.296 174.990 0.173 0.000 1.280 268 C CA 1.256 60.468 59.018 0.324 0.000 1.744 268 C CB -0.716 27.181 27.740 0.263 0.000 1.989 268 C HN 0.984 nan 8.230 nan 0.000 0.491 269 A N 0.252 123.194 122.820 0.203 0.000 2.476 269 A HA 0.613 4.933 4.320 0.000 0.000 0.263 269 A C 0.884 178.513 177.584 0.075 0.000 1.342 269 A CA 0.428 52.553 52.037 0.147 0.000 0.926 269 A CB -0.577 18.589 19.000 0.278 0.000 1.019 269 A HN 0.507 nan 8.150 nan 0.000 0.515 270 A N 0.089 122.929 122.820 0.033 0.000 2.466 270 A HA 0.533 4.853 4.320 0.000 0.000 0.238 270 A C 0.861 178.417 177.584 -0.047 0.000 1.074 270 A CA 0.275 52.303 52.037 -0.015 0.000 0.774 270 A CB -0.030 18.922 19.000 -0.080 0.000 1.015 270 A HN 1.461 nan 8.150 nan 0.000 0.498 271 A N 1.444 124.243 122.820 -0.035 0.000 2.444 271 A HA 0.405 4.726 4.320 0.000 0.000 0.273 271 A C 0.856 178.233 177.584 -0.344 0.000 1.136 271 A CA -0.005 51.937 52.037 -0.158 0.000 0.799 271 A CB -0.048 18.918 19.000 -0.057 0.000 1.081 271 A HN 0.849 nan 8.150 nan 0.000 0.509 272 K N 1.771 121.925 120.400 -0.409 0.000 2.424 272 K HA 0.111 4.431 4.320 0.000 0.000 0.198 272 K C 0.110 176.470 176.600 -0.400 0.000 1.190 272 K CA 0.372 56.460 56.287 -0.331 0.000 0.935 272 K CB 0.669 33.032 32.500 -0.228 0.000 1.087 272 K HN 0.650 nan 8.250 nan 0.000 0.524 273 R N 1.249 121.435 120.500 -0.523 0.000 2.320 273 R HA 0.284 4.625 4.340 0.000 0.000 0.319 273 R C -1.280 174.737 176.300 -0.471 0.000 0.969 273 R CA -0.455 55.404 56.100 -0.402 0.000 0.857 273 R CB 0.650 30.696 30.300 -0.423 0.000 1.160 273 R HN -0.111 nan 8.270 nan 0.000 0.491 274 F N 3.998 123.899 119.950 -0.083 0.000 2.421 274 F HA 0.332 4.859 4.527 0.000 0.000 0.358 274 F C 0.640 176.393 175.800 -0.080 0.000 1.115 274 F CA -0.394 57.543 58.000 -0.105 0.000 1.160 274 F CB 0.662 39.526 39.000 -0.228 0.000 1.123 274 F HN 0.256 nan 8.300 nan 0.000 0.508 275 I N 5.336 125.927 120.570 0.035 0.000 2.359 275 I HA 0.338 4.508 4.170 0.000 0.000 0.284 275 I C -0.838 175.245 176.117 -0.057 0.000 1.018 275 I CA -0.900 60.401 61.300 0.002 0.000 1.173 275 I CB 1.080 39.080 38.000 -0.001 0.000 1.326 275 I HN 0.314 nan 8.210 nan 0.000 0.462 276 V N 2.083 121.949 119.914 -0.081 0.000 2.495 276 V HA 0.516 4.637 4.120 0.000 0.000 0.298 276 V C -0.127 175.940 176.094 -0.045 0.000 1.031 276 V CA -0.782 61.442 62.300 -0.128 0.000 0.871 276 V CB 1.663 33.345 31.823 -0.236 0.000 0.988 276 V HN 0.724 nan 8.190 nan 0.000 0.432 277 E N 2.567 122.752 120.200 -0.026 0.000 2.398 277 E HA 0.091 4.441 4.350 0.000 0.000 0.263 277 E C 0.906 177.523 176.600 0.028 0.000 1.046 277 E CA 0.206 56.613 56.400 0.012 0.000 0.908 277 E CB 0.904 30.616 29.700 0.020 0.000 0.963 277 E HN 0.875 nan 8.360 nan 0.000 0.431 278 E N 2.347 122.573 120.200 0.043 0.000 2.065 278 E HA -0.280 4.071 4.350 0.000 0.000 0.201 278 E C 1.762 178.389 176.600 0.045 0.000 1.016 278 E CA 1.415 57.843 56.400 0.047 0.000 0.818 278 E CB -0.253 29.476 29.700 0.048 0.000 0.749 278 E HN 0.849 nan 8.360 nan 0.000 0.453 279 G N 0.842 109.667 108.800 0.043 0.000 2.469 279 G HA2 -0.269 3.691 3.960 0.000 0.000 0.220 279 G HA3 -0.269 3.691 3.960 0.000 0.000 0.220 279 G C 1.513 176.445 174.900 0.052 0.000 1.136 279 G CA 0.795 45.921 45.100 0.043 0.000 0.759 279 G HN 0.304 nan 8.290 nan 0.000 0.562 280 I N 0.101 120.706 120.570 0.058 0.000 4.057 280 I HA 0.353 4.523 4.170 0.000 0.000 0.334 280 I C 2.679 178.862 176.117 0.111 0.000 1.308 280 I CA 0.621 61.970 61.300 0.082 0.000 1.125 280 I CB 0.202 38.251 38.000 0.082 0.000 1.034 280 I HN 0.184 nan 8.210 nan 0.000 0.401 281 A N 0.691 123.563 122.820 0.086 0.000 1.873 281 A HA -0.331 3.989 4.320 0.000 0.000 0.218 281 A C 2.159 179.829 177.584 0.144 0.000 1.193 281 A CA 2.348 54.447 52.037 0.105 0.000 0.629 281 A CB -0.656 18.386 19.000 0.069 0.000 0.826 281 A HN 0.511 nan 8.150 nan 0.000 0.447 282 Q N -0.613 119.248 119.800 0.101 0.000 2.079 282 Q HA 0.040 4.380 4.340 0.000 0.000 0.200 282 Q C 2.099 178.150 176.000 0.085 0.000 0.974 282 Q CA 2.057 57.910 55.803 0.084 0.000 0.840 282 Q CB -0.608 28.164 28.738 0.057 0.000 0.898 282 Q HN 0.575 nan 8.270 nan 0.000 0.430 283 A N -0.337 122.539 122.820 0.092 0.000 1.877 283 A HA -0.161 4.160 4.320 0.000 0.000 0.216 283 A C 2.021 179.660 177.584 0.092 0.000 1.186 283 A CA 1.422 53.505 52.037 0.077 0.000 0.620 283 A CB -1.074 17.973 19.000 0.077 0.000 0.822 283 A HN 0.563 nan 8.150 nan 0.000 0.443 284 F N 1.398 121.354 119.950 0.010 0.000 2.095 284 F HA -0.190 4.337 4.527 0.000 0.000 0.298 284 F C 2.487 178.293 175.800 0.009 0.000 1.104 284 F CA 2.435 60.436 58.000 0.002 0.000 1.232 284 F CB -0.667 38.329 39.000 -0.006 0.000 0.987 284 F HN 0.214 nan 8.300 nan 0.000 0.475 285 T N 0.224 114.855 114.554 0.128 0.000 2.708 285 T HA -0.199 4.152 4.350 0.000 0.000 0.266 285 T C 1.444 176.128 174.700 -0.026 0.000 1.037 285 T CA 1.681 63.808 62.100 0.044 0.000 1.146 285 T CB -0.470 68.463 68.868 0.108 0.000 0.865 285 T HN 0.276 nan 8.240 nan 0.000 0.435 286 D N 0.867 121.256 120.400 -0.017 0.000 2.123 286 D HA -0.062 4.578 4.640 0.000 0.000 0.196 286 D C 2.447 178.698 176.300 -0.083 0.000 0.992 286 D CA 0.879 54.859 54.000 -0.033 0.000 0.833 286 D CB -0.174 40.616 40.800 -0.017 0.000 0.954 286 D HN 0.258 nan 8.370 nan 0.000 0.455 287 R N -0.232 120.191 120.500 -0.128 0.000 2.090 287 R HA -0.050 4.290 4.340 0.000 0.000 0.228 287 R C 2.337 178.483 176.300 -0.257 0.000 1.110 287 R CA 0.265 56.258 56.100 -0.178 0.000 0.973 287 R CB -0.886 29.303 30.300 -0.185 0.000 0.869 287 R HN 0.268 nan 8.270 nan 0.000 0.440 288 F N 1.543 121.184 119.950 -0.514 0.000 2.075 288 F HA -0.200 4.328 4.527 0.000 0.000 0.297 288 F C 2.292 177.901 175.800 -0.318 0.000 1.113 288 F CA 1.240 58.903 58.000 -0.561 0.000 1.218 288 F CB -0.215 38.273 39.000 -0.853 0.000 0.984 288 F HN -0.306 nan 8.300 nan 0.000 0.472 289 V N 0.527 120.428 119.914 -0.023 0.000 2.287 289 V HA -0.350 3.771 4.120 0.000 0.000 0.248 289 V C 2.700 178.702 176.094 -0.153 0.000 1.053 289 V CA 1.866 64.144 62.300 -0.037 0.000 1.027 289 V CB -1.601 30.229 31.823 0.012 0.000 0.646 289 V HN 0.492 nan 8.190 nan 0.000 0.447 290 A N -0.069 122.657 122.820 -0.157 0.000 1.902 290 A HA -0.132 4.189 4.320 0.000 0.000 0.217 290 A C 2.428 179.880 177.584 -0.220 0.000 1.181 290 A CA 2.204 54.145 52.037 -0.159 0.000 0.623 290 A CB -0.814 18.109 19.000 -0.129 0.000 0.818 290 A HN 0.584 nan 8.150 nan 0.000 0.443 291 A N -0.218 122.422 122.820 -0.300 0.000 1.902 291 A HA 0.179 4.499 4.320 0.000 0.000 0.217 291 A C 2.509 179.840 177.584 -0.421 0.000 1.181 291 A CA 2.066 53.894 52.037 -0.348 0.000 0.623 291 A CB -1.013 17.741 19.000 -0.410 0.000 0.818 291 A HN 1.064 nan 8.150 nan 0.000 0.443 292 A N -0.136 122.358 122.820 -0.544 0.000 1.902 292 A HA 0.164 4.484 4.320 0.000 0.000 0.217 292 A C 2.460 179.798 177.584 -0.409 0.000 1.181 292 A CA 2.017 53.689 52.037 -0.608 0.000 0.623 292 A CB -0.947 17.735 19.000 -0.531 0.000 0.818 292 A HN 1.080 nan 8.150 nan 0.000 0.443 293 A N -0.480 122.175 122.820 -0.275 0.000 2.015 293 A HA 0.261 4.581 4.320 0.000 0.000 0.219 293 A C 2.284 179.757 177.584 -0.185 0.000 1.163 293 A CA 1.681 53.602 52.037 -0.194 0.000 0.646 293 A CB -0.654 18.263 19.000 -0.138 0.000 0.806 293 A HN 1.017 nan 8.150 nan 0.000 0.448 294 A N -0.631 122.068 122.820 -0.201 0.000 2.169 294 A HA 0.366 4.686 4.320 0.000 0.000 0.212 294 A C 0.919 178.398 177.584 -0.174 0.000 1.153 294 A CA -0.154 51.783 52.037 -0.167 0.000 0.756 294 A CB -0.382 18.526 19.000 -0.155 0.000 0.813 294 A HN 0.433 nan 8.150 nan 0.000 0.471 295 L N 0.949 122.036 121.223 -0.227 0.000 2.490 295 L HA 0.075 4.416 4.340 0.000 0.000 0.274 295 L C 0.506 177.281 176.870 -0.159 0.000 1.201 295 L CA 0.149 54.862 54.840 -0.212 0.000 0.869 295 L CB 0.451 42.324 42.059 -0.310 0.000 1.123 295 L HN 0.274 nan 8.230 nan 0.000 0.484 299 D N 1.286 121.726 120.400 0.066 0.000 2.982 299 D HA 0.018 4.658 4.640 0.000 0.000 0.222 299 D C -0.771 175.576 176.300 0.077 0.000 1.124 299 D CA -0.568 53.495 54.000 0.105 0.000 0.810 299 D CB 1.270 42.093 40.800 0.038 0.000 1.152 299 D HN 0.084 nan 8.370 nan 0.000 0.538 300 P HA -0.032 nan 4.420 nan 0.000 0.245 300 P C 1.337 178.647 177.300 0.016 0.000 1.212 300 P CA 0.366 63.488 63.100 0.037 0.000 0.774 300 P CB 0.214 31.923 31.700 0.015 0.000 0.999 301 L N -1.090 120.143 121.223 0.018 0.000 2.509 301 L HA 0.090 4.430 4.340 0.000 0.000 0.222 301 L C 0.793 177.665 176.870 0.003 0.000 1.123 301 L CA 0.166 55.010 54.840 0.008 0.000 0.856 301 L CB -0.020 42.044 42.059 0.008 0.000 0.985 301 L HN -0.250 nan 8.230 nan 0.000 0.456 302 V N 0.784 120.700 119.914 0.004 0.000 2.368 302 V HA 0.049 4.169 4.120 0.000 0.000 0.266 302 V C 1.128 177.217 176.094 -0.008 0.000 1.045 302 V CA -0.177 62.120 62.300 -0.005 0.000 0.899 302 V CB 1.135 32.952 31.823 -0.011 0.000 1.006 302 V HN 0.281 nan 8.190 nan 0.000 0.470 303 E N 3.118 123.311 120.200 -0.011 0.000 2.265 303 E HA -0.238 4.113 4.350 0.000 0.000 0.196 303 E C 1.851 178.439 176.600 -0.019 0.000 0.996 303 E CA 1.218 57.610 56.400 -0.013 0.000 0.832 303 E CB 0.228 29.920 29.700 -0.014 0.000 0.756 303 E HN 0.951 nan 8.360 nan 0.000 0.491 304 E N 1.100 121.286 120.200 -0.023 0.000 2.338 304 E HA -0.098 4.252 4.350 0.000 0.000 0.197 304 E C 0.250 176.830 176.600 -0.033 0.000 1.007 304 E CA 0.318 56.700 56.400 -0.030 0.000 0.849 304 E CB -0.020 29.660 29.700 -0.034 0.000 0.774 304 E HN 0.011 nan 8.360 nan 0.000 0.506 305 N N 2.170 120.855 118.700 -0.026 0.000 2.442 305 N HA 0.000 4.740 4.740 0.000 0.000 0.265 305 N C -0.134 175.365 175.510 -0.019 0.000 1.138 305 N CA 0.048 53.084 53.050 -0.023 0.000 0.956 305 N CB 1.277 39.760 38.487 -0.006 0.000 1.067 305 N HN 0.181 nan 8.380 nan 0.000 0.474 306 D N 1.447 121.828 120.400 -0.031 0.000 2.249 306 D HA 0.046 4.686 4.640 0.000 0.000 0.205 306 D C 0.287 176.582 176.300 -0.008 0.000 0.962 306 D CA 0.918 54.900 54.000 -0.029 0.000 0.860 306 D CB 0.748 41.512 40.800 -0.060 0.000 0.955 306 D HN 0.384 nan 8.370 nan 0.000 0.505 307 L N -0.012 121.212 121.223 0.003 0.000 2.386 307 L HA 0.539 4.880 4.340 0.000 0.000 0.271 307 L C 0.710 177.629 176.870 0.082 0.000 0.993 307 L CA -0.852 54.011 54.840 0.038 0.000 0.819 307 L CB 2.553 44.634 42.059 0.037 0.000 1.294 307 L HN -0.181 nan 8.230 nan 0.000 0.414 308 G N 1.466 110.306 108.800 0.067 0.000 2.702 308 G HA2 0.714 4.674 3.960 0.000 0.000 0.254 308 G HA3 0.714 4.674 3.960 0.000 0.000 0.254 308 G C -2.737 172.143 174.900 -0.034 0.000 1.380 308 G CA -1.114 44.033 45.100 0.077 0.000 1.042 308 G HN 0.348 nan 8.290 nan 0.000 0.557 312 R N -0.817 119.334 120.500 -0.582 0.000 2.561 312 R HA 0.590 4.930 4.340 0.000 0.000 0.297 312 R C -0.196 175.952 176.300 -0.252 0.000 0.969 312 R CA -0.720 55.155 56.100 -0.375 0.000 0.879 312 R CB 1.035 31.140 30.300 -0.324 0.000 1.178 312 R HN 0.212 nan 8.270 nan 0.000 0.445 313 F N 1.553 121.432 119.950 -0.118 0.000 2.134 313 F HA -0.244 4.283 4.527 0.000 0.000 0.299 313 F C 2.307 178.089 175.800 -0.029 0.000 1.097 313 F CA 1.816 59.778 58.000 -0.063 0.000 1.264 313 F CB -0.005 38.966 39.000 -0.049 0.000 1.001 313 F HN 0.638 nan 8.300 nan 0.000 0.479 314 D N 0.415 120.909 120.400 0.156 0.000 2.178 314 D HA -0.177 4.463 4.640 0.000 0.000 0.202 314 D C 1.919 178.262 176.300 0.072 0.000 0.974 314 D CA 1.283 55.345 54.000 0.104 0.000 0.841 314 D CB -0.985 39.868 40.800 0.087 0.000 0.953 314 D HN 0.310 nan 8.370 nan 0.000 0.478 315 L N -0.403 120.847 121.223 0.044 0.000 2.156 315 L HA 0.034 4.374 4.340 0.000 0.000 0.208 315 L C 2.917 179.799 176.870 0.019 0.000 1.095 315 L CA 0.628 55.502 54.840 0.056 0.000 0.770 315 L CB -0.438 41.685 42.059 0.106 0.000 0.914 315 L HN 0.025 nan 8.230 nan 0.000 0.439 316 R N 0.507 120.993 120.500 -0.024 0.000 2.081 316 R HA -0.168 4.172 4.340 0.000 0.000 0.235 316 R C 1.798 178.100 176.300 0.003 0.000 1.131 316 R CA 1.704 57.772 56.100 -0.054 0.000 0.960 316 R CB -0.083 30.191 30.300 -0.044 0.000 0.856 316 R HN 0.330 nan 8.270 nan 0.000 0.436 317 D N 0.351 120.793 120.400 0.070 0.000 2.104 317 D HA -0.221 4.419 4.640 0.000 0.000 0.194 317 D C 1.672 178.029 176.300 0.095 0.000 0.994 317 D CA 1.405 55.473 54.000 0.114 0.000 0.830 317 D CB -0.206 40.661 40.800 0.111 0.000 0.959 317 D HN 0.480 nan 8.370 nan 0.000 0.452 318 E N 0.221 120.457 120.200 0.061 0.000 2.051 318 E HA -0.170 4.180 4.350 0.000 0.000 0.192 318 E C 2.210 178.822 176.600 0.019 0.000 0.991 318 E CA 0.443 56.872 56.400 0.048 0.000 0.799 318 E CB -0.092 29.640 29.700 0.054 0.000 0.748 318 E HN 0.064 nan 8.360 nan 0.000 0.449 319 L N 0.794 122.001 121.223 -0.027 0.000 2.012 319 L HA -0.198 4.143 4.340 0.000 0.000 0.210 319 L C 2.377 179.172 176.870 -0.125 0.000 1.073 319 L CA 2.392 57.168 54.840 -0.106 0.000 0.748 319 L CB -0.787 41.127 42.059 -0.241 0.000 0.891 319 L HN 0.283 nan 8.230 nan 0.000 0.431 320 H N -0.658 118.285 119.070 -0.212 0.000 2.352 320 H HA -0.172 4.384 4.556 0.000 0.000 0.299 320 H C 2.228 177.585 175.328 0.050 0.000 1.097 320 H CA 2.272 58.304 56.048 -0.027 0.000 1.311 320 H CB -0.017 29.832 29.762 0.146 0.000 1.377 320 H HN 0.505 nan 8.280 nan 0.000 0.504 321 Q N -0.251 119.531 119.800 -0.031 0.000 2.124 321 Q HA -0.189 4.152 4.340 0.000 0.000 0.202 321 Q C 2.336 178.305 176.000 -0.052 0.000 0.977 321 Q CA 1.578 57.344 55.803 -0.061 0.000 0.850 321 Q CB -0.008 28.737 28.738 0.010 0.000 0.901 321 Q HN 0.689 nan 8.270 nan 0.000 0.429 322 Q N -0.325 119.461 119.800 -0.023 0.000 2.124 322 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 322 Q C 2.201 178.202 176.000 0.001 0.000 0.977 322 Q CA 1.330 57.134 55.803 0.002 0.000 0.850 322 Q CB 0.038 28.786 28.738 0.017 0.000 0.901 322 Q HN 0.197 nan 8.270 nan 0.000 0.429 323 V N 1.055 120.961 119.914 -0.013 0.000 2.270 323 V HA -0.292 3.828 4.120 0.000 0.000 0.245 323 V C 2.150 178.227 176.094 -0.027 0.000 1.043 323 V CA 1.911 64.224 62.300 0.022 0.000 1.014 323 V CB -0.606 31.285 31.823 0.114 0.000 0.645 323 V HN 0.379 nan 8.190 nan 0.000 0.447 324 Q N -0.116 119.600 119.800 -0.140 0.000 2.112 324 Q HA -0.236 4.104 4.340 0.000 0.000 0.206 324 Q C 2.401 178.377 176.000 -0.039 0.000 0.987 324 Q CA 1.974 57.705 55.803 -0.120 0.000 0.858 324 Q CB -0.466 28.154 28.738 -0.196 0.000 0.905 324 Q HN 0.685 nan 8.270 nan 0.000 0.420 325 A N 0.448 123.252 122.820 -0.026 0.000 1.902 325 A HA -0.186 4.134 4.320 0.000 0.000 0.217 325 A C 2.283 179.879 177.584 0.020 0.000 1.181 325 A CA 1.736 53.776 52.037 0.004 0.000 0.623 325 A CB -0.564 18.445 19.000 0.014 0.000 0.818 325 A HN 0.269 nan 8.150 nan 0.000 0.443 326 S N -0.376 115.341 115.700 0.029 0.000 2.368 326 S HA -0.140 4.330 4.470 0.000 0.000 0.225 326 S C 1.908 176.533 174.600 0.042 0.000 1.030 326 S CA 1.459 59.687 58.200 0.047 0.000 0.999 326 S CB -0.537 62.701 63.200 0.063 0.000 0.844 326 S HN 0.343 nan 8.310 nan 0.000 0.459 327 V N 2.126 122.062 119.914 0.036 0.000 2.295 327 V HA -0.224 3.896 4.120 0.000 0.000 0.246 327 V C 2.676 178.787 176.094 0.028 0.000 1.049 327 V CA 1.755 64.076 62.300 0.036 0.000 1.024 327 V CB -1.256 30.589 31.823 0.036 0.000 0.648 327 V HN 0.554 nan 8.190 nan 0.000 0.447 328 A N -0.366 122.467 122.820 0.021 0.000 1.978 328 A HA -0.259 4.061 4.320 0.000 0.000 0.220 328 A C 2.077 179.673 177.584 0.021 0.000 1.170 328 A CA 1.967 54.016 52.037 0.019 0.000 0.636 328 A CB -0.473 18.536 19.000 0.015 0.000 0.810 328 A HN 0.671 nan 8.150 nan 0.000 0.448 329 E N -2.035 118.180 120.200 0.024 0.000 2.427 329 E HA 0.250 4.600 4.350 0.000 0.000 0.196 329 E C 1.180 177.794 176.600 0.023 0.000 1.028 329 E CA 0.426 56.841 56.400 0.024 0.000 0.864 329 E CB 0.012 29.730 29.700 0.029 0.000 0.813 329 E HN 0.733 nan 8.360 nan 0.000 0.514 330 G N 0.347 109.163 108.800 0.026 0.000 2.227 330 G HA2 -0.154 3.806 3.960 0.000 0.000 0.168 330 G HA3 -0.154 3.806 3.960 0.000 0.000 0.168 330 G C 0.319 175.238 174.900 0.032 0.000 1.006 330 G CA -0.285 44.830 45.100 0.025 0.000 0.684 330 G HN 0.404 nan 8.290 nan 0.000 0.489 331 A N 0.270 123.114 122.820 0.040 0.000 2.445 331 A HA 0.671 4.991 4.320 0.000 0.000 0.242 331 A C 0.646 178.260 177.584 0.050 0.000 1.075 331 A CA 0.569 52.636 52.037 0.050 0.000 0.777 331 A CB 0.279 19.318 19.000 0.065 0.000 1.013 331 A HN 0.670 nan 8.150 nan 0.000 0.493 332 R N 1.625 122.157 120.500 0.053 0.000 2.229 332 R HA 0.419 4.759 4.340 0.000 0.000 0.328 332 R C -1.126 175.211 176.300 0.061 0.000 1.009 332 R CA -0.664 55.466 56.100 0.051 0.000 0.864 332 R CB 0.517 30.844 30.300 0.046 0.000 1.085 332 R HN 0.602 nan 8.270 nan 0.000 0.453 333 L N 6.685 127.944 121.223 0.060 0.000 2.325 333 L HA 0.175 4.515 4.340 0.000 0.000 0.284 333 L C 0.072 176.978 176.870 0.059 0.000 1.089 333 L CA 0.437 55.318 54.840 0.069 0.000 0.836 333 L CB 0.873 42.974 42.059 0.069 0.000 1.184 333 L HN 0.845 nan 8.230 nan 0.000 0.444 334 L N 5.074 126.337 121.223 0.067 0.000 2.513 334 L HA 0.277 4.617 4.340 0.000 0.000 0.222 334 L C -0.215 176.682 176.870 0.045 0.000 1.096 334 L CA 0.082 54.954 54.840 0.054 0.000 0.857 334 L CB 0.153 42.248 42.059 0.061 0.000 1.026 334 L HN 0.507 nan 8.230 nan 0.000 0.469 335 L N -1.290 119.968 121.223 0.058 0.000 2.612 335 L HA 0.644 4.984 4.340 0.000 0.000 0.256 335 L C 0.253 177.152 176.870 0.048 0.000 0.949 335 L CA 0.361 55.223 54.840 0.037 0.000 0.867 335 L CB 1.544 43.624 42.059 0.034 0.000 1.417 335 L HN 0.124 nan 8.230 nan 0.000 0.414 336 G N 2.688 111.491 108.800 0.005 0.000 2.622 336 G HA2 0.150 4.110 3.960 0.000 0.000 0.307 336 G HA3 0.150 4.110 3.960 0.000 0.000 0.307 336 G C 0.945 175.842 174.900 -0.006 0.000 1.226 336 G CA 0.792 45.875 45.100 -0.027 0.000 0.997 336 G HN 2.492 nan 8.290 nan 0.000 0.551 337 G N -1.413 107.395 108.800 0.013 0.000 2.160 337 G HA2 0.117 4.077 3.960 0.000 0.000 0.244 337 G HA3 0.117 4.077 3.960 0.000 0.000 0.244 337 G C -0.042 174.910 174.900 0.086 0.000 1.022 337 G CA 1.543 46.738 45.100 0.159 0.000 0.741 337 G HN 1.390 nan 8.290 nan 0.000 0.508 338 E N -0.357 119.623 120.200 -0.367 0.000 2.356 338 E HA 0.384 4.734 4.350 0.000 0.000 0.275 338 E C -0.082 176.075 176.600 -0.739 0.000 0.904 338 E CA -0.889 55.285 56.400 -0.376 0.000 0.757 338 E CB 1.430 31.012 29.700 -0.196 0.000 1.232 338 E HN 0.349 nan 8.360 nan 0.000 0.442 339 K N 1.392 121.534 120.400 -0.430 0.000 2.326 339 K HA 0.299 4.619 4.320 0.000 0.000 0.275 339 K C 0.221 176.741 176.600 -0.134 0.000 1.018 339 K CA -0.434 55.748 56.287 -0.175 0.000 0.962 339 K CB 0.650 33.116 32.500 -0.057 0.000 0.953 339 K HN 0.283 nan 8.250 nan 0.000 0.475 340 I N 2.543 123.088 120.570 -0.042 0.000 2.342 340 I HA 0.121 4.291 4.170 0.000 0.000 0.291 340 I C 0.773 176.902 176.117 0.021 0.000 1.010 340 I CA -0.590 60.695 61.300 -0.025 0.000 1.308 340 I CB 0.574 38.569 38.000 -0.009 0.000 1.400 340 I HN 0.683 nan 8.210 nan 0.000 0.488 341 A N 4.736 127.552 122.820 -0.006 0.000 2.531 341 A HA 0.556 4.876 4.320 0.000 0.000 0.236 341 A C 0.776 178.379 177.584 0.032 0.000 1.062 341 A CA 0.812 52.856 52.037 0.012 0.000 0.760 341 A CB -0.089 18.907 19.000 -0.007 0.000 0.995 341 A HN 1.271 nan 8.150 nan 0.000 0.501 342 G N 0.887 109.720 108.800 0.055 0.000 2.347 342 G HA2 0.133 4.093 3.960 0.000 0.000 0.477 342 G HA3 0.133 4.093 3.960 0.000 0.000 0.477 342 G C -0.131 174.839 174.900 0.117 0.000 1.349 342 G CA -0.028 45.115 45.100 0.072 0.000 1.000 342 G HN 0.610 nan 8.290 nan 0.000 0.605 343 E N -0.534 119.738 120.200 0.121 0.000 2.442 343 E HA 0.225 4.575 4.350 0.000 0.000 0.195 343 E C 1.707 178.460 176.600 0.256 0.000 1.030 343 E CA 0.441 56.925 56.400 0.141 0.000 0.869 343 E CB 0.316 30.065 29.700 0.080 0.000 0.857 343 E HN 0.735 nan 8.360 nan 0.000 0.505 344 G N 0.929 109.891 108.800 0.270 0.000 2.621 344 G HA2 -0.002 3.959 3.960 0.000 0.000 0.271 344 G HA3 -0.002 3.959 3.960 0.000 0.000 0.271 344 G C -0.032 174.950 174.900 0.136 0.000 1.236 344 G CA -0.455 44.791 45.100 0.243 0.000 0.958 344 G HN 0.023 nan 8.290 nan 0.000 0.512 345 N N -0.891 117.603 118.700 -0.343 0.000 2.839 345 N HA 0.217 4.957 4.740 0.000 0.000 0.314 345 N C -1.305 173.962 175.510 -0.406 0.000 1.449 345 N CA -0.457 52.259 53.050 -0.557 0.000 1.050 345 N CB -0.249 37.472 38.487 -1.277 0.000 1.364 345 N HN 0.366 nan 8.380 nan 0.000 0.512 346 Y N 0.343 120.606 120.300 -0.062 0.000 2.310 346 Y HA 0.333 4.884 4.550 0.000 0.000 0.326 346 Y C -0.457 175.476 175.900 0.055 0.000 1.151 346 Y CA -0.459 57.631 58.100 -0.017 0.000 1.195 346 Y CB 0.817 39.259 38.460 -0.030 0.000 1.210 346 Y HN 0.147 nan 8.280 nan 0.000 0.483 347 Y N 1.708 122.066 120.300 0.096 0.000 2.391 347 Y HA 0.683 5.233 4.550 0.000 0.000 0.341 347 Y C -0.250 175.699 175.900 0.083 0.000 0.965 347 Y CA -1.455 56.685 58.100 0.067 0.000 1.067 347 Y CB 1.128 39.618 38.460 0.051 0.000 1.199 347 Y HN 0.764 nan 8.280 nan 0.000 0.450 348 A N 3.930 126.544 122.820 -0.344 0.000 2.483 348 A HA 0.515 4.836 4.320 0.000 0.000 0.238 348 A C 0.121 177.711 177.584 0.009 0.000 1.070 348 A CA 0.066 52.002 52.037 -0.168 0.000 0.770 348 A CB -0.401 18.451 19.000 -0.246 0.000 1.008 348 A HN 1.131 nan 8.150 nan 0.000 0.497 349 A N 2.625 125.455 122.820 0.017 0.000 2.548 349 A HA 0.486 4.806 4.320 0.000 0.000 0.247 349 A C 0.602 178.258 177.584 0.119 0.000 1.067 349 A CA 0.719 52.793 52.037 0.061 0.000 0.757 349 A CB -0.448 18.420 19.000 -0.220 0.000 0.996 349 A HN 0.894 nan 8.150 nan 0.000 0.504 350 T N 1.925 116.657 114.554 0.296 0.000 2.876 350 T HA 0.572 4.923 4.350 0.000 0.000 0.289 350 T C -0.709 174.179 174.700 0.313 0.000 1.014 350 T CA -0.406 61.854 62.100 0.267 0.000 0.986 350 T CB 1.598 70.666 68.868 0.333 0.000 1.021 350 T HN 0.535 nan 8.240 nan 0.000 0.458 351 V N 3.766 123.819 119.914 0.232 0.000 2.525 351 V HA 0.511 4.632 4.120 0.000 0.000 0.299 351 V C -0.727 175.457 176.094 0.150 0.000 1.034 351 V CA -0.819 61.612 62.300 0.219 0.000 0.863 351 V CB 1.588 33.548 31.823 0.228 0.000 0.999 351 V HN 0.713 nan 8.190 nan 0.000 0.423 352 L N 4.267 125.571 121.223 0.136 0.000 2.313 352 L HA 0.909 5.249 4.340 0.000 0.000 0.283 352 L C 0.341 177.269 176.870 0.096 0.000 1.013 352 L CA -0.244 54.663 54.840 0.111 0.000 0.816 352 L CB 1.773 43.900 42.059 0.114 0.000 1.236 352 L HN 0.797 nan 8.230 nan 0.000 0.419 353 A N 1.219 124.088 122.820 0.082 0.000 2.347 353 A HA 0.632 4.952 4.320 0.000 0.000 0.301 353 A C -0.253 177.371 177.584 0.067 0.000 1.163 353 A CA -0.427 51.655 52.037 0.074 0.000 0.860 353 A CB 0.776 19.816 19.000 0.066 0.000 1.367 353 A HN 0.805 nan 8.150 nan 0.000 0.461 354 D N -1.056 119.380 120.400 0.061 0.000 2.811 354 D HA -0.129 4.512 4.640 0.000 0.000 0.231 354 D C -0.193 176.134 176.300 0.045 0.000 1.157 354 D CA 1.105 55.134 54.000 0.047 0.000 0.716 354 D CB -1.854 38.970 40.800 0.039 0.000 1.077 354 D HN 0.322 nan 8.370 nan 0.000 0.428 355 V N 0.928 120.881 119.914 0.065 0.000 2.508 355 V HA 0.294 4.414 4.120 0.000 0.000 0.281 355 V C 1.302 177.396 176.094 0.000 0.000 1.041 355 V CA 0.406 62.752 62.300 0.076 0.000 1.016 355 V CB 1.340 33.259 31.823 0.161 0.000 0.984 355 V HN 0.345 nan 8.190 nan 0.000 0.478 356 T N 3.178 117.693 114.554 -0.066 0.000 2.952 356 T HA 0.472 4.822 4.350 0.000 0.000 0.286 356 T C -1.956 172.497 174.700 -0.412 0.000 1.024 356 T CA -2.177 59.798 62.100 -0.208 0.000 1.029 356 T CB 1.869 70.669 68.868 -0.113 0.000 1.094 356 T HN 0.378 nan 8.240 nan 0.000 0.515 357 P HA -0.003 nan 4.420 nan 0.000 0.225 357 P C 0.472 177.647 177.300 -0.208 0.000 1.148 357 P CA 0.778 63.356 63.100 -0.870 0.000 0.779 357 P CB -0.076 31.245 31.700 -0.631 0.000 0.780 361 A N 0.227 123.120 122.820 0.122 0.000 2.125 361 A HA 0.213 4.534 4.320 0.000 0.000 0.219 361 A C 1.612 179.281 177.584 0.142 0.000 1.156 361 A CA 1.309 53.416 52.037 0.116 0.000 0.671 361 A CB -0.678 18.393 19.000 0.118 0.000 0.794 361 A HN 0.492 nan 8.150 nan 0.000 0.459 362 F N -0.638 119.335 119.950 0.038 0.000 2.505 362 F HA 0.158 4.686 4.527 0.000 0.000 0.289 362 F C 2.282 178.120 175.800 0.064 0.000 1.101 362 F CA 0.566 58.588 58.000 0.036 0.000 1.446 362 F CB 0.246 39.264 39.000 0.030 0.000 1.123 362 F HN 0.040 nan 8.300 nan 0.000 0.564 363 R N -0.225 120.427 120.500 0.254 0.000 2.223 363 R HA 0.162 4.502 4.340 0.000 0.000 0.198 363 R C 0.167 176.601 176.300 0.223 0.000 0.984 363 R CA 0.277 56.510 56.100 0.220 0.000 1.018 363 R CB 0.041 30.460 30.300 0.199 0.000 0.945 363 R HN 0.329 nan 8.270 nan 0.000 0.479 364 Q N 0.638 120.540 119.800 0.170 0.000 2.248 364 Q HA 0.200 4.541 4.340 0.000 0.000 0.263 364 Q C -0.836 175.188 176.000 0.040 0.000 1.007 364 Q CA -0.504 55.407 55.803 0.181 0.000 0.877 364 Q CB 2.136 30.948 28.738 0.123 0.000 1.315 364 Q HN 0.008 nan 8.270 nan 0.000 0.454 365 E N 1.905 122.067 120.200 -0.063 0.000 2.217 365 E HA 0.116 4.466 4.350 0.000 0.000 0.279 365 E C -1.081 175.498 176.600 -0.035 0.000 1.068 365 E CA -0.157 56.104 56.400 -0.232 0.000 0.882 365 E CB 0.388 29.843 29.700 -0.409 0.000 1.039 365 E HN 0.409 nan 8.360 nan 0.000 0.418 366 L N 6.288 127.497 121.223 -0.023 0.000 2.288 366 L HA 0.253 4.593 4.340 0.000 0.000 0.283 366 L C -0.186 176.731 176.870 0.079 0.000 1.072 366 L CA -0.555 54.305 54.840 0.033 0.000 0.862 366 L CB 0.130 42.194 42.059 0.009 0.000 1.245 366 L HN 0.640 nan 8.230 nan 0.000 0.432 367 F N 3.352 123.276 119.950 -0.043 0.000 2.660 367 F HA 0.556 5.083 4.527 0.000 0.000 0.342 367 F C 0.827 176.641 175.800 0.024 0.000 1.195 367 F CA -0.214 57.779 58.000 -0.012 0.000 1.300 367 F CB 0.177 39.187 39.000 0.015 0.000 1.616 367 F HN 0.437 nan 8.300 nan 0.000 0.592 368 G N 1.942 110.695 108.800 -0.078 0.000 2.430 368 G HA2 0.240 4.200 3.960 0.000 0.000 0.300 368 G HA3 0.240 4.200 3.960 0.000 0.000 0.300 368 G C -3.128 171.769 174.900 -0.005 0.000 1.330 368 G CA -0.840 44.233 45.100 -0.046 0.000 0.813 368 G HN -0.144 nan 8.290 nan 0.000 0.487 369 P HA 0.377 nan 4.420 nan 0.000 0.220 369 P C -0.638 176.857 177.300 0.326 0.000 1.806 369 P CA -0.099 63.159 63.100 0.264 0.000 0.976 369 P CB 0.339 32.289 31.700 0.417 0.000 1.952 370 V N 1.511 121.513 119.914 0.146 0.000 2.447 370 V HA 0.536 4.656 4.120 0.000 0.000 0.292 370 V C 0.311 176.472 176.094 0.113 0.000 1.021 370 V CA -1.055 61.355 62.300 0.184 0.000 0.850 370 V CB 1.699 33.613 31.823 0.153 0.000 1.005 370 V HN 0.342 nan 8.190 nan 0.000 0.426 371 A N 3.861 126.791 122.820 0.184 0.000 2.331 371 A HA 0.897 5.217 4.320 0.000 0.000 0.283 371 A C 0.317 178.001 177.584 0.167 0.000 1.142 371 A CA -0.028 52.127 52.037 0.196 0.000 0.812 371 A CB 0.992 20.099 19.000 0.178 0.000 1.074 371 A HN 1.365 nan 8.150 nan 0.000 0.497 372 A N 2.615 125.542 122.820 0.179 0.000 2.303 372 A HA 0.697 5.017 4.320 0.000 0.000 0.320 372 A C -0.497 177.203 177.584 0.193 0.000 1.192 372 A CA -0.401 51.726 52.037 0.150 0.000 0.821 372 A CB 0.307 19.374 19.000 0.112 0.000 1.188 372 A HN 0.731 nan 8.150 nan 0.000 0.492 373 I N 2.134 122.792 120.570 0.147 0.000 2.406 373 I HA 0.408 4.578 4.170 0.000 0.000 0.290 373 I C -0.331 175.861 176.117 0.126 0.000 0.999 373 I CA -0.197 61.187 61.300 0.139 0.000 1.124 373 I CB 2.308 40.357 38.000 0.081 0.000 1.289 373 I HN 0.541 nan 8.210 nan 0.000 0.441 374 T N 5.199 119.827 114.554 0.124 0.000 2.848 374 T HA 0.406 4.756 4.350 0.000 0.000 0.285 374 T C -0.273 174.452 174.700 0.041 0.000 0.995 374 T CA -0.474 61.681 62.100 0.092 0.000 0.970 374 T CB 2.157 71.118 68.868 0.155 0.000 0.976 374 T HN 0.138 nan 8.240 nan 0.000 0.441 375 V N 2.813 122.744 119.914 0.029 0.000 2.461 375 V HA 0.656 4.776 4.120 0.000 0.000 0.275 375 V C 0.483 176.584 176.094 0.012 0.000 1.047 375 V CA -0.675 61.641 62.300 0.026 0.000 0.955 375 V CB 0.968 32.821 31.823 0.049 0.000 0.988 375 V HN 1.076 nan 8.190 nan 0.000 0.471 376 A N 4.343 127.158 122.820 -0.008 0.000 2.312 376 A HA 0.558 4.878 4.320 0.000 0.000 0.326 376 A C 0.861 178.556 177.584 0.185 0.000 1.172 376 A CA -0.625 51.408 52.037 -0.006 0.000 0.821 376 A CB 0.809 19.747 19.000 -0.103 0.000 1.166 376 A HN 0.892 nan 8.150 nan 0.000 0.493 377 K N 0.188 120.845 120.400 0.428 0.000 2.155 377 K HA 0.003 4.323 4.320 0.000 0.000 0.203 377 K C -0.340 176.330 176.600 0.117 0.000 1.052 377 K CA 1.661 58.060 56.287 0.187 0.000 0.948 377 K CB 0.002 32.543 32.500 0.069 0.000 0.728 377 K HN 0.957 nan 8.250 nan 0.000 0.448 378 D N -3.333 117.152 120.400 0.142 0.000 2.713 378 D HA 0.228 4.869 4.640 0.000 0.000 0.306 378 D C 0.081 176.430 176.300 0.082 0.000 1.299 378 D CA -0.386 53.664 54.000 0.084 0.000 0.823 378 D CB 0.418 41.253 40.800 0.059 0.000 1.353 378 D HN -0.151 nan 8.370 nan 0.000 0.447 379 A N 0.018 122.868 122.820 0.050 0.000 1.933 379 A HA 0.153 4.473 4.320 0.000 0.000 0.218 379 A C 2.126 179.736 177.584 0.043 0.000 1.175 379 A CA 2.630 54.688 52.037 0.035 0.000 0.628 379 A CB -1.328 17.684 19.000 0.021 0.000 0.814 379 A HN 0.774 nan 8.150 nan 0.000 0.444 380 A N -1.404 121.451 122.820 0.057 0.000 1.898 380 A HA -0.192 4.128 4.320 0.000 0.000 0.216 380 A C 2.086 179.735 177.584 0.109 0.000 1.181 380 A CA 1.662 53.736 52.037 0.062 0.000 0.620 380 A CB -0.957 18.073 19.000 0.050 0.000 0.819 380 A HN 0.794 nan 8.150 nan 0.000 0.442 381 H N -0.490 118.585 119.070 0.008 0.000 2.387 381 H HA -0.054 4.502 4.556 0.000 0.000 0.299 381 H C 2.305 177.646 175.328 0.022 0.000 1.090 381 H CA 1.051 57.106 56.048 0.011 0.000 1.332 381 H CB 0.038 29.803 29.762 0.005 0.000 1.386 381 H HN 0.463 nan 8.280 nan 0.000 0.516 382 A N 1.184 123.993 122.820 -0.017 0.000 1.883 382 A HA -0.172 4.148 4.320 0.000 0.000 0.217 382 A C 2.404 179.970 177.584 -0.031 0.000 1.186 382 A CA 1.475 53.469 52.037 -0.071 0.000 0.624 382 A CB -0.822 18.159 19.000 -0.031 0.000 0.822 382 A HN 0.454 nan 8.150 nan 0.000 0.444 383 L N -0.265 120.958 121.223 0.001 0.000 2.017 383 L HA -0.066 4.274 4.340 0.000 0.000 0.208 383 L C 2.678 179.562 176.870 0.023 0.000 1.073 383 L CA 2.262 57.107 54.840 0.007 0.000 0.745 383 L CB -0.772 41.294 42.059 0.011 0.000 0.894 383 L HN 0.345 nan 8.230 nan 0.000 0.432 384 A N -0.478 122.368 122.820 0.044 0.000 1.877 384 A HA -0.185 4.135 4.320 0.000 0.000 0.216 384 A C 2.267 179.896 177.584 0.076 0.000 1.186 384 A CA 2.084 54.161 52.037 0.067 0.000 0.620 384 A CB -0.966 18.100 19.000 0.109 0.000 0.822 384 A HN 0.508 nan 8.150 nan 0.000 0.443 385 L N -0.787 120.463 121.223 0.045 0.000 2.017 385 L HA -0.211 4.129 4.340 0.000 0.000 0.208 385 L C 3.123 180.106 176.870 0.189 0.000 1.073 385 L CA 1.132 56.048 54.840 0.127 0.000 0.745 385 L CB -0.568 41.494 42.059 0.005 0.000 0.894 385 L HN 0.440 nan 8.230 nan 0.000 0.432 386 A N 0.109 122.969 122.820 0.066 0.000 1.908 386 A HA -0.209 4.111 4.320 0.000 0.000 0.218 386 A C 1.955 179.549 177.584 0.016 0.000 1.181 386 A CA 1.985 54.029 52.037 0.012 0.000 0.627 386 A CB -0.534 18.457 19.000 -0.016 0.000 0.818 386 A HN 0.451 nan 8.150 nan 0.000 0.445 387 N N 0.137 118.859 118.700 0.036 0.000 2.467 387 N HA -0.037 4.703 4.740 0.000 0.000 0.184 387 N C -0.101 175.444 175.510 0.059 0.000 1.106 387 N CA 0.584 53.654 53.050 0.033 0.000 0.892 387 N CB -0.155 38.347 38.487 0.024 0.000 0.969 387 N HN 0.431 nan 8.380 nan 0.000 0.454 388 D N 0.608 121.077 120.400 0.116 0.000 2.608 388 D HA 0.123 4.763 4.640 0.000 0.000 0.224 388 D C -0.862 175.543 176.300 0.176 0.000 1.123 388 D CA 0.046 54.144 54.000 0.164 0.000 1.030 388 D CB -0.240 40.702 40.800 0.236 0.000 1.093 388 D HN -0.119 nan 8.370 nan 0.000 0.497 389 S N 1.234 116.983 115.700 0.083 0.000 2.550 389 S HA 0.237 4.707 4.470 0.000 0.000 0.270 389 S C 0.473 175.072 174.600 -0.002 0.000 1.145 389 S CA -0.666 57.572 58.200 0.063 0.000 0.852 389 S CB 1.361 64.591 63.200 0.050 0.000 1.119 389 S HN 0.222 nan 8.310 nan 0.000 0.465 390 E N 1.237 121.374 120.200 -0.104 0.000 2.481 390 E HA 0.133 4.483 4.350 0.000 0.000 0.195 390 E C -0.607 175.722 176.600 -0.450 0.000 1.047 390 E CA 0.510 56.722 56.400 -0.312 0.000 0.867 390 E CB 0.197 29.603 29.700 -0.490 0.000 0.858 390 E HN 0.501 nan 8.360 nan 0.000 0.513 391 F N -0.394 119.533 119.950 -0.038 0.000 2.509 391 F HA 0.568 5.096 4.527 0.000 0.000 0.334 391 F C 0.992 176.759 175.800 -0.055 0.000 1.060 391 F CA -0.856 57.115 58.000 -0.047 0.000 0.997 391 F CB 1.706 40.672 39.000 -0.056 0.000 1.271 391 F HN -0.243 nan 8.300 nan 0.000 0.488 392 G N 0.954 109.842 108.800 0.147 0.000 4.836 392 G HA2 0.289 4.249 3.960 0.000 0.000 0.222 392 G HA3 0.289 4.249 3.960 0.000 0.000 0.222 392 G C -0.419 174.476 174.900 -0.009 0.000 1.332 392 G CA -0.156 44.968 45.100 0.040 0.000 0.606 392 G HN 0.539 nan 8.290 nan 0.000 0.357 393 L N 0.916 122.129 121.223 -0.016 0.000 2.116 393 L HA 0.591 4.931 4.340 0.000 0.000 0.200 393 L C 1.179 177.986 176.870 -0.105 0.000 1.084 393 L CA 2.047 56.828 54.840 -0.097 0.000 0.766 393 L CB -0.080 41.925 42.059 -0.090 0.000 0.930 393 L HN 0.479 nan 8.230 nan 0.000 0.453 394 S N -1.683 113.997 115.700 -0.035 0.000 2.638 394 S HA 0.891 5.361 4.470 0.000 0.000 0.274 394 S C -0.838 173.788 174.600 0.044 0.000 1.157 394 S CA -0.303 57.917 58.200 0.033 0.000 0.826 394 S CB 1.482 64.764 63.200 0.137 0.000 1.139 394 S HN 0.590 nan 8.310 nan 0.000 0.474 395 A N 0.446 123.317 122.820 0.085 0.000 2.587 395 A HA 0.902 5.222 4.320 0.000 0.000 0.293 395 A C -0.739 176.884 177.584 0.064 0.000 1.087 395 A CA -0.804 51.253 52.037 0.034 0.000 0.692 395 A CB 1.583 20.572 19.000 -0.017 0.000 1.291 395 A HN 0.904 nan 8.150 nan 0.000 0.407 396 T N 1.072 115.595 114.554 -0.051 0.000 2.876 396 T HA 0.649 4.999 4.350 0.000 0.000 0.289 396 T C -0.935 173.598 174.700 -0.279 0.000 1.014 396 T CA -0.131 61.860 62.100 -0.182 0.000 0.986 396 T CB 1.240 69.854 68.868 -0.423 0.000 1.021 396 T HN 0.773 nan 8.240 nan 0.000 0.458 397 I N 2.267 122.681 120.570 -0.261 0.000 2.499 397 I HA 0.616 4.787 4.170 0.000 0.000 0.288 397 I C -1.812 174.144 176.117 -0.269 0.000 1.048 397 I CA -1.065 60.113 61.300 -0.204 0.000 1.062 397 I CB 1.038 38.957 38.000 -0.135 0.000 1.238 397 I HN 0.532 nan 8.210 nan 0.000 0.426 398 F N 5.859 125.684 119.950 -0.209 0.000 2.402 398 F HA 0.616 5.143 4.527 0.000 0.000 0.355 398 F C 0.211 175.977 175.800 -0.056 0.000 1.123 398 F CA -0.233 57.700 58.000 -0.112 0.000 1.021 398 F CB 1.875 40.837 39.000 -0.064 0.000 1.160 398 F HN 0.377 nan 8.300 nan 0.000 0.451 399 T N 1.644 116.216 114.554 0.030 0.000 3.047 399 T HA 0.530 4.881 4.350 0.000 0.000 0.340 399 T C 0.280 174.988 174.700 0.013 0.000 1.421 399 T CA -0.033 62.089 62.100 0.038 0.000 1.090 399 T CB 1.300 70.171 68.868 0.005 0.000 1.292 399 T HN 0.566 nan 8.240 nan 0.000 0.480 400 A N 2.288 125.129 122.820 0.036 0.000 2.119 400 A HA 0.176 4.496 4.320 0.000 0.000 0.217 400 A C 0.933 178.520 177.584 0.005 0.000 1.153 400 A CA 0.689 52.742 52.037 0.025 0.000 0.692 400 A CB -0.258 18.766 19.000 0.040 0.000 0.799 400 A HN 0.743 nan 8.150 nan 0.000 0.458 401 D N 0.379 120.779 120.400 -0.000 0.000 2.393 401 D HA 0.147 4.788 4.640 0.000 0.000 0.232 401 D C -0.145 176.142 176.300 -0.022 0.000 1.192 401 D CA -0.274 53.721 54.000 -0.007 0.000 0.882 401 D CB 0.477 41.276 40.800 -0.002 0.000 1.038 401 D HN 0.119 nan 8.370 nan 0.000 0.499 402 D N 2.051 122.437 120.400 -0.023 0.000 2.123 402 D HA -0.148 4.492 4.640 0.000 0.000 0.196 402 D C 1.640 177.920 176.300 -0.033 0.000 0.992 402 D CA 1.315 55.295 54.000 -0.034 0.000 0.833 402 D CB 0.009 40.793 40.800 -0.027 0.000 0.954 402 D HN 0.424 nan 8.370 nan 0.000 0.455 403 T N 1.124 115.664 114.554 -0.023 0.000 2.708 403 T HA -0.130 4.221 4.350 0.000 0.000 0.266 403 T C 1.930 176.616 174.700 -0.024 0.000 1.037 403 T CA 0.554 62.642 62.100 -0.021 0.000 1.146 403 T CB -0.382 68.478 68.868 -0.014 0.000 0.865 403 T HN 0.029 nan 8.240 nan 0.000 0.435 404 L N 1.437 122.647 121.223 -0.021 0.000 2.046 404 L HA 0.072 4.412 4.340 0.000 0.000 0.208 404 L C 2.603 179.454 176.870 -0.032 0.000 1.077 404 L CA 1.806 56.634 54.840 -0.021 0.000 0.747 404 L CB -1.053 40.998 42.059 -0.013 0.000 0.896 404 L HN 0.231 nan 8.230 nan 0.000 0.432 405 A N -0.537 122.257 122.820 -0.044 0.000 1.908 405 A HA -0.137 4.184 4.320 0.000 0.000 0.218 405 A C 2.444 179.990 177.584 -0.064 0.000 1.181 405 A CA 1.934 53.932 52.037 -0.064 0.000 0.627 405 A CB -1.177 17.771 19.000 -0.086 0.000 0.818 405 A HN 0.563 nan 8.150 nan 0.000 0.445 406 A N -0.259 122.527 122.820 -0.056 0.000 1.930 406 A HA -0.005 4.315 4.320 0.000 0.000 0.217 406 A C 1.242 178.799 177.584 -0.045 0.000 1.175 406 A CA 1.017 53.022 52.037 -0.054 0.000 0.627 406 A CB -0.361 18.611 19.000 -0.046 0.000 0.815 406 A HN 0.662 nan 8.150 nan 0.000 0.443 410 A N 0.385 123.176 122.820 -0.048 0.000 2.070 410 A HA 0.004 4.324 4.320 0.000 0.000 0.220 410 A C 1.856 179.420 177.584 -0.033 0.000 1.159 410 A CA 1.644 53.657 52.037 -0.040 0.000 0.656 410 A CB -0.402 18.578 19.000 -0.032 0.000 0.800 410 A HN 0.489 nan 8.150 nan 0.000 0.453 411 R N -1.360 119.121 120.500 -0.031 0.000 2.397 411 R HA 0.339 4.679 4.340 0.000 0.000 0.241 411 R C -0.509 175.777 176.300 -0.024 0.000 0.914 411 R CA -0.292 55.794 56.100 -0.023 0.000 1.071 411 R CB 0.144 30.435 30.300 -0.016 0.000 1.116 411 R HN 0.341 nan 8.270 nan 0.000 0.524 412 L N 2.219 123.423 121.223 -0.033 0.000 2.360 412 L HA 0.085 4.425 4.340 0.000 0.000 0.276 412 L C 0.184 177.034 176.870 -0.033 0.000 1.121 412 L CA 0.163 54.983 54.840 -0.033 0.000 0.845 412 L CB 0.901 42.934 42.059 -0.042 0.000 1.143 412 L HN 0.027 nan 8.230 nan 0.000 0.452 413 E N 3.850 124.035 120.200 -0.024 0.000 1.979 413 E HA 0.175 4.525 4.350 0.000 0.000 0.285 413 E C -0.652 175.931 176.600 -0.028 0.000 1.188 413 E CA -0.335 56.051 56.400 -0.024 0.000 1.214 413 E CB 0.015 29.707 29.700 -0.014 0.000 1.210 413 E HN 0.589 nan 8.360 nan 0.000 0.477 414 C N -3.025 116.249 119.300 -0.042 0.000 3.318 414 C HA 0.701 5.161 4.460 0.000 0.000 0.322 414 C C 1.442 176.384 174.990 -0.079 0.000 1.398 414 C CA -0.822 58.165 59.018 -0.053 0.000 1.339 414 C CB 0.825 28.539 27.740 -0.043 0.000 1.668 414 C HN 0.460 nan 8.230 nan 0.000 0.462 415 G N -0.600 108.135 108.800 -0.108 0.000 2.985 415 G HA2 0.512 4.472 3.960 0.000 0.000 0.209 415 G HA3 0.512 4.472 3.960 0.000 0.000 0.209 415 G C 0.487 175.297 174.900 -0.151 0.000 1.165 415 G CA 0.574 45.586 45.100 -0.147 0.000 0.776 415 G HN 1.625 nan 8.290 nan 0.000 0.541 416 G N -0.783 107.954 108.800 -0.106 0.000 2.740 416 G HA2 0.482 4.442 3.960 0.000 0.000 0.296 416 G HA3 0.482 4.442 3.960 0.000 0.000 0.296 416 G C -1.863 172.991 174.900 -0.076 0.000 1.439 416 G CA -0.335 44.709 45.100 -0.093 0.000 1.066 416 G HN 0.235 nan 8.290 nan 0.000 0.527 417 V N 2.009 121.778 119.914 -0.242 0.000 2.525 417 V HA 0.524 4.644 4.120 0.000 0.000 0.299 417 V C -1.125 174.750 176.094 -0.367 0.000 1.034 417 V CA -0.700 61.497 62.300 -0.171 0.000 0.863 417 V CB 1.417 33.152 31.823 -0.148 0.000 0.999 417 V HN 0.634 nan 8.190 nan 0.000 0.423 418 F N 4.868 124.759 119.950 -0.098 0.000 2.388 418 F HA 0.602 5.129 4.527 0.000 0.000 0.358 418 F C 0.233 175.905 175.800 -0.214 0.000 1.122 418 F CA -0.449 57.483 58.000 -0.114 0.000 1.056 418 F CB 1.437 40.402 39.000 -0.058 0.000 1.155 418 F HN 0.266 nan 8.300 nan 0.000 0.461 419 I N 4.660 125.154 120.570 -0.127 0.000 2.321 419 I HA 0.193 4.363 4.170 0.000 0.000 0.291 419 I C -0.215 175.668 176.117 -0.390 0.000 0.998 419 I CA -0.598 60.549 61.300 -0.256 0.000 1.227 419 I CB 0.709 38.593 38.000 -0.194 0.000 1.368 419 I HN 0.602 nan 8.210 nan 0.000 0.466 420 N N 4.621 122.805 118.700 -0.860 0.000 2.725 420 N HA -0.159 4.581 4.740 0.000 0.000 0.251 420 N C -0.219 174.924 175.510 -0.613 0.000 1.031 420 N CA 1.052 53.348 53.050 -1.256 0.000 0.720 420 N CB -0.818 37.337 38.487 -0.553 0.000 0.930 420 N HN 0.994 nan 8.380 nan 0.000 0.543 421 G N -1.492 107.070 108.800 -0.396 0.000 2.619 421 G HA2 0.549 4.509 3.960 0.000 0.000 0.305 421 G HA3 0.549 4.509 3.960 0.000 0.000 0.305 421 G C -1.746 173.240 174.900 0.144 0.000 1.330 421 G CA -0.854 44.291 45.100 0.077 0.000 0.789 421 G HN 0.063 nan 8.290 nan 0.000 0.487 422 Y N 1.643 122.030 120.300 0.144 0.000 2.335 422 Y HA 0.461 5.011 4.550 0.000 0.000 0.339 422 Y C 1.208 176.930 175.900 -0.296 0.000 0.987 422 Y CA -0.469 57.662 58.100 0.051 0.000 1.140 422 Y CB 1.614 40.102 38.460 0.048 0.000 1.173 422 Y HN 0.559 nan 8.280 nan 0.000 0.486 423 S N 2.363 117.819 115.700 -0.407 0.000 2.572 423 S HA 0.796 5.266 4.470 0.000 0.000 0.279 423 S C -0.086 174.123 174.600 -0.652 0.000 1.341 423 S CA -0.220 57.199 58.200 -1.301 0.000 1.043 423 S CB 1.284 63.997 63.200 -0.811 0.000 0.887 423 S HN 0.927 nan 8.310 nan 0.000 0.516 424 A N 1.595 124.032 122.820 -0.638 0.000 2.567 424 A HA 0.671 4.991 4.320 0.000 0.000 0.291 424 A C -0.234 177.338 177.584 -0.020 0.000 1.048 424 A CA -0.572 51.335 52.037 -0.217 0.000 0.661 424 A CB 0.411 19.299 19.000 -0.186 0.000 1.288 424 A HN 1.648 nan 8.150 nan 0.000 0.424 425 S N 0.696 116.327 115.700 -0.115 0.000 2.610 425 S HA 0.726 5.196 4.470 0.000 0.000 0.273 425 S C -0.678 173.882 174.600 -0.066 0.000 1.274 425 S CA -0.292 57.858 58.200 -0.085 0.000 1.023 425 S CB 1.508 64.474 63.200 -0.390 0.000 0.962 425 S HN 0.850 nan 8.310 nan 0.000 0.523 426 D N -0.087 120.318 120.400 0.008 0.000 2.927 426 D HA 0.387 5.027 4.640 0.000 0.000 0.219 426 D C 0.676 176.889 176.300 -0.145 0.000 1.248 426 D CA -0.443 53.510 54.000 -0.078 0.000 0.861 426 D CB 1.991 42.749 40.800 -0.071 0.000 1.677 426 D HN 0.565 nan 8.370 nan 0.000 0.511 427 A N 3.603 126.239 122.820 -0.306 0.000 2.032 427 A HA -0.183 4.138 4.320 0.000 0.000 0.221 427 A C 1.802 178.809 177.584 -0.961 0.000 1.165 427 A CA 1.307 52.959 52.037 -0.642 0.000 0.645 427 A CB -0.212 18.182 19.000 -1.010 0.000 0.807 427 A HN 0.629 nan 8.150 nan 0.000 0.453 428 R N -1.043 119.002 120.500 -0.758 0.000 2.276 428 R HA 0.115 4.455 4.340 0.000 0.000 0.203 428 R C 0.276 176.499 176.300 -0.130 0.000 1.017 428 R CA 0.807 56.634 56.100 -0.455 0.000 1.010 428 R CB -0.159 29.992 30.300 -0.247 0.000 0.900 428 R HN 0.553 nan 8.270 nan 0.000 0.469 429 V N -4.479 115.387 119.914 -0.081 0.000 3.130 429 V HA 0.778 4.898 4.120 0.000 0.000 0.310 429 V C -0.484 175.651 176.094 0.068 0.000 1.158 429 V CA -1.594 60.723 62.300 0.027 0.000 1.029 429 V CB 1.703 33.532 31.823 0.010 0.000 1.057 429 V HN -0.035 nan 8.190 nan 0.000 0.436 430 A N 1.970 124.795 122.820 0.008 0.000 2.445 430 A HA 0.708 5.028 4.320 0.000 0.000 0.242 430 A C -0.840 176.763 177.584 0.033 0.000 1.075 430 A CA 0.076 52.041 52.037 -0.119 0.000 0.777 430 A CB -0.007 18.596 19.000 -0.661 0.000 1.013 430 A HN 1.502 nan 8.150 nan 0.000 0.493 431 F N 1.091 120.990 119.950 -0.084 0.000 2.547 431 F HA 0.639 5.166 4.527 0.000 0.000 0.316 431 F C 0.254 176.029 175.800 -0.042 0.000 1.121 431 F CA 0.768 58.752 58.000 -0.026 0.000 0.911 431 F CB 1.879 40.897 39.000 0.029 0.000 1.179 431 F HN 1.217 nan 8.300 nan 0.000 0.443 432 G N 2.373 110.747 108.800 -0.710 0.000 2.353 432 G HA2 0.456 4.416 3.960 0.000 0.000 0.308 432 G HA3 0.456 4.416 3.960 0.000 0.000 0.308 432 G C -1.473 173.205 174.900 -0.371 0.000 1.418 432 G CA -0.218 44.587 45.100 -0.493 0.000 0.966 432 G HN 1.188 nan 8.290 nan 0.000 0.638 433 G N -1.799 106.858 108.800 -0.239 0.000 3.262 433 G HA2 1.073 5.033 3.960 0.000 0.000 0.229 433 G HA3 1.073 5.033 3.960 0.000 0.000 0.229 433 G C -0.106 174.756 174.900 -0.064 0.000 1.280 433 G CA 0.545 45.555 45.100 -0.149 0.000 0.951 433 G HN 2.101 nan 8.290 nan 0.000 0.589 434 V N -3.793 116.101 119.914 -0.033 0.000 3.156 434 V HA 0.848 4.969 4.120 0.000 0.000 0.311 434 V C 0.463 176.562 176.094 0.008 0.000 1.208 434 V CA -0.322 61.978 62.300 0.000 0.000 1.063 434 V CB 1.029 32.843 31.823 -0.014 0.000 1.098 434 V HN 1.109 nan 8.190 nan 0.000 0.452 435 K N -0.760 119.644 120.400 0.008 0.000 1.939 435 K HA -0.266 4.054 4.320 0.000 0.000 0.165 435 K C 1.030 177.613 176.600 -0.028 0.000 1.508 435 K CA 1.816 58.091 56.287 -0.020 0.000 0.525 435 K CB -1.155 31.315 32.500 -0.050 0.000 0.615 435 K HN 0.822 nan 8.250 nan 0.000 0.888 436 K N 1.102 121.433 120.400 -0.115 0.000 2.555 436 K HA 0.046 4.366 4.320 0.000 0.000 0.193 436 K C 1.432 178.030 176.600 -0.002 0.000 1.032 436 K CA 0.760 56.968 56.287 -0.132 0.000 1.004 436 K CB 0.044 32.332 32.500 -0.353 0.000 0.804 436 K HN 0.271 nan 8.250 nan 0.000 0.496 437 S N 0.396 116.134 115.700 0.063 0.000 2.561 437 S HA 0.059 4.530 4.470 0.000 0.000 0.225 437 S C 0.928 175.514 174.600 -0.022 0.000 0.977 437 S CA 0.541 58.794 58.200 0.088 0.000 0.926 437 S CB 0.194 63.438 63.200 0.073 0.000 0.769 437 S HN 0.661 nan 8.310 nan 0.000 0.533 438 G N 1.119 109.895 108.800 -0.040 0.000 2.408 438 G HA2 0.069 4.030 3.960 0.000 0.000 0.204 438 G HA3 0.069 4.030 3.960 0.000 0.000 0.204 438 G C -0.890 173.988 174.900 -0.037 0.000 1.186 438 G CA -0.423 44.575 45.100 -0.170 0.000 1.139 438 G HN 0.759 nan 8.290 nan 0.000 0.563 439 F N -2.386 117.550 119.950 -0.023 0.000 2.807 439 F HA 0.709 5.236 4.527 0.000 0.000 0.316 439 F C 0.456 176.241 175.800 -0.025 0.000 1.162 439 F CA 0.011 57.991 58.000 -0.033 0.000 0.910 439 F CB 0.989 39.973 39.000 -0.027 0.000 1.314 439 F HN 2.524 nan 8.300 nan 0.000 0.454 440 G N 1.437 110.391 108.800 0.257 0.000 2.730 440 G HA2 0.286 4.246 3.960 0.000 0.000 0.686 440 G HA3 0.286 4.246 3.960 0.000 0.000 0.686 440 G C -1.751 173.171 174.900 0.037 0.000 1.343 440 G CA -1.060 44.123 45.100 0.137 0.000 0.826 440 G HN 0.840 nan 8.290 nan 0.000 0.582 441 R N 0.380 120.904 120.500 0.039 0.000 2.744 441 R HA 0.605 4.945 4.340 0.000 0.000 0.279 441 R C -0.112 176.257 176.300 0.116 0.000 0.977 441 R CA -0.741 55.369 56.100 0.018 0.000 0.906 441 R CB 1.941 32.172 30.300 -0.114 0.000 1.197 441 R HN 0.763 nan 8.270 nan 0.000 0.463 442 E N 1.596 121.890 120.200 0.157 0.000 2.249 442 E HA 0.604 4.954 4.350 0.000 0.000 0.263 442 E C -0.212 176.517 176.600 0.215 0.000 0.950 442 E CA -0.887 55.629 56.400 0.193 0.000 0.827 442 E CB 1.692 31.505 29.700 0.189 0.000 1.220 442 E HN 0.333 nan 8.360 nan 0.000 0.411 443 L N 0.190 121.540 121.223 0.211 0.000 0.640 443 L HA -0.342 3.998 4.340 0.000 0.000 0.356 443 L C 0.707 177.745 176.870 0.280 0.000 0.995 443 L CA 0.574 55.560 54.840 0.244 0.000 1.223 443 L CB -1.405 40.731 42.059 0.129 0.000 0.095 443 L HN 0.913 nan 8.230 nan 0.000 0.099 444 S N -0.208 115.590 115.700 0.165 0.000 3.144 444 S HA -0.325 4.145 4.470 0.000 0.000 0.629 444 S C 1.069 175.777 174.600 0.180 0.000 2.962 444 S CA 2.085 60.379 58.200 0.157 0.000 3.700 444 S CB -0.506 62.790 63.200 0.159 0.000 0.286 444 S HN 1.502 nan 8.310 nan 0.000 1.464 445 H N -0.107 118.900 119.070 -0.105 0.000 2.547 445 H HA 0.321 4.877 4.556 0.000 0.000 0.272 445 H C 1.703 176.727 175.328 -0.505 0.000 0.989 445 H CA 1.386 57.188 56.048 -0.410 0.000 1.214 445 H CB -0.561 28.851 29.762 -0.585 0.000 1.389 445 H HN 0.368 nan 8.280 nan 0.000 0.577 446 F N 1.503 121.267 119.950 -0.310 0.000 2.113 446 F HA 0.043 4.570 4.527 0.000 0.000 0.297 446 F C 2.787 178.576 175.800 -0.020 0.000 1.103 446 F CA 1.375 59.293 58.000 -0.138 0.000 1.248 446 F CB -0.767 38.143 39.000 -0.149 0.000 0.999 446 F HN 0.402 nan 8.300 nan 0.000 0.475 447 G N -0.304 108.619 108.800 0.205 0.000 2.443 447 G HA2 -0.172 3.788 3.960 0.000 0.000 0.219 447 G HA3 -0.172 3.788 3.960 0.000 0.000 0.219 447 G C 1.594 176.577 174.900 0.139 0.000 1.131 447 G CA 0.640 45.846 45.100 0.176 0.000 0.775 447 G HN 0.297 nan 8.290 nan 0.000 0.547 448 L N -0.408 120.855 121.223 0.066 0.000 2.095 448 L HA 0.167 4.507 4.340 0.000 0.000 0.204 448 L C 2.489 179.435 176.870 0.127 0.000 1.080 448 L CA 1.676 56.540 54.840 0.039 0.000 0.759 448 L CB -0.408 41.629 42.059 -0.036 0.000 0.914 448 L HN 0.376 nan 8.230 nan 0.000 0.439 449 H N -1.475 117.636 119.070 0.069 0.000 2.512 449 H HA 0.009 4.566 4.556 0.000 0.000 0.279 449 H C 1.689 177.053 175.328 0.061 0.000 0.999 449 H CA 0.370 56.461 56.048 0.071 0.000 1.283 449 H CB 0.398 30.187 29.762 0.045 0.000 1.421 449 H HN 0.334 nan 8.280 nan 0.000 0.554 450 E N 0.778 121.021 120.200 0.072 0.000 2.118 450 E HA -0.151 4.199 4.350 0.000 0.000 0.195 450 E C 0.150 176.466 176.600 -0.474 0.000 0.992 450 E CA 1.053 57.297 56.400 -0.260 0.000 0.804 450 E CB 0.001 29.387 29.700 -0.523 0.000 0.741 450 E HN 0.478 nan 8.360 nan 0.000 0.458 451 F N -0.336 119.710 119.950 0.160 0.000 2.923 451 F HA 0.191 4.718 4.527 0.000 0.000 0.314 451 F C 0.159 176.050 175.800 0.152 0.000 1.196 451 F CA -0.532 57.547 58.000 0.130 0.000 1.320 451 F CB 0.324 39.386 39.000 0.103 0.000 0.953 451 F HN -0.199 nan 8.300 nan 0.000 0.505 452 C N 0.526 119.981 119.300 0.258 0.000 2.454 452 C HA 0.416 4.876 4.460 0.000 0.000 0.336 452 C C 0.501 175.597 174.990 0.176 0.000 1.189 452 C CA -1.021 58.151 59.018 0.257 0.000 1.877 452 C CB 1.187 29.140 27.740 0.355 0.000 2.348 452 C HN 0.464 nan 8.230 nan 0.000 0.508 453 N N 1.578 120.366 118.700 0.147 0.000 2.469 453 N HA 0.201 4.941 4.740 0.000 0.000 0.239 453 N C -0.674 174.851 175.510 0.025 0.000 1.053 453 N CA -0.085 53.015 53.050 0.084 0.000 0.937 453 N CB 0.527 39.066 38.487 0.086 0.000 1.163 453 N HN 0.419 nan 8.380 nan 0.000 0.509 454 V N 4.045 123.944 119.914 -0.025 0.000 2.421 454 V HA 0.064 4.185 4.120 0.000 0.000 0.271 454 V C 0.503 176.512 176.094 -0.142 0.000 1.031 454 V CA 0.093 62.285 62.300 -0.180 0.000 1.032 454 V CB 0.076 31.802 31.823 -0.162 0.000 1.009 454 V HN 0.650 nan 8.190 nan 0.000 0.477 455 Q N 3.561 123.257 119.800 -0.174 0.000 2.325 455 Q HA 0.353 4.693 4.340 0.000 0.000 0.270 455 Q C -0.528 175.412 176.000 -0.100 0.000 1.020 455 Q CA -0.531 55.217 55.803 -0.092 0.000 0.785 455 Q CB 1.732 30.442 28.738 -0.047 0.000 1.259 455 Q HN 0.730 nan 8.270 nan 0.000 0.452 456 T N 2.578 117.102 114.554 -0.050 0.000 2.851 456 T HA 0.300 4.650 4.350 0.000 0.000 0.298 456 T C -0.519 174.195 174.700 0.024 0.000 0.977 456 T CA -0.187 61.900 62.100 -0.021 0.000 1.126 456 T CB 0.726 69.617 68.868 0.039 0.000 0.916 456 T HN 0.354 nan 8.240 nan 0.000 0.529 457 V N 4.677 124.604 119.914 0.021 0.000 2.443 457 V HA 0.429 4.550 4.120 0.000 0.000 0.293 457 V C -1.002 175.171 176.094 0.132 0.000 1.021 457 V CA -0.999 61.341 62.300 0.067 0.000 0.848 457 V CB 1.504 33.343 31.823 0.027 0.000 0.998 457 V HN 0.820 nan 8.190 nan 0.000 0.424 458 W N 6.991 128.276 121.300 -0.026 0.000 2.554 458 W HA 0.569 5.229 4.660 0.000 0.000 0.324 458 W C -0.433 176.076 176.519 -0.017 0.000 1.018 458 W CA -1.550 55.781 57.345 -0.022 0.000 1.243 458 W CB 2.072 31.519 29.460 -0.022 0.000 1.345 458 W HN 0.685 nan 8.180 nan 0.000 0.441 459 K N 4.464 125.109 120.400 0.408 0.000 2.123 459 K HA 0.422 4.742 4.320 0.000 0.000 0.259 459 K C 0.378 177.115 176.600 0.228 0.000 0.960 459 K CA -0.469 55.951 56.287 0.221 0.000 0.872 459 K CB 0.995 33.572 32.500 0.127 0.000 1.079 459 K HN 0.429 nan 8.250 nan 0.000 0.440 460 N N 0.944 119.694 118.700 0.083 0.000 2.754 460 N HA -0.195 4.545 4.740 0.000 0.000 0.248 460 N C -0.919 174.595 175.510 0.006 0.000 1.093 460 N CA 0.747 53.823 53.050 0.044 0.000 0.699 460 N CB -1.006 37.525 38.487 0.074 0.000 1.016 460 N HN 0.751 nan 8.380 nan 0.000 0.552 461 R N 0.951 121.349 120.500 -0.169 0.000 2.309 461 R HA 0.389 4.729 4.340 0.000 0.000 0.331 461 R C -0.415 175.748 176.300 -0.230 0.000 1.116 461 R CA -0.062 55.817 56.100 -0.368 0.000 0.970 461 R CB 0.416 30.070 30.300 -1.078 0.000 1.024 461 R HN 0.024 nan 8.270 nan 0.000 0.472 462 V N 0.000 119.846 119.914 -0.114 0.000 2.409 462 V HA 0.000 4.120 4.120 0.000 0.000 0.244 462 V CA 0.000 62.251 62.300 -0.082 0.000 1.235 462 V CB 0.000 31.795 31.823 -0.047 0.000 1.184 462 V HN 0.000 nan 8.190 nan 0.000 0.556