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 1xg3_1_B DATA FIRST_RESID 3 DATA SEQUENCE LHSPGKAFRA ALTKENPLQI VGTINANHAL LAQRAGYQAI YLSGGGVAAG DATA SEQUENCE SLGLPDLGIS TLDDVLTDIR RITDVCSLPL LVDADIGFGS SAFNVARTVK DATA SEQUENCE SMIKAGAAGL HIEDQVGAKR SGHRPNKAIV SKEEMVDRIR AAVDAKTDPD DATA SEQUENCE FVIMARTDAL AVEGLDAAIE RAQAYVEAGA EMLFPEAITE LAMYRQFADA DATA SEQUENCE VQVPILANIT EFGATPLFTT DELRSAHVAM ALYPLSAFRA MNRAAEHVYN DATA SEQUENCE VLRQEGTQKS VIDTMQTRNE LYESINYYQY EEKLDN 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.923 176.870 0.089 0.000 1.165 3 L CA 0.000 54.880 54.840 0.068 0.000 0.813 3 L CB 0.000 42.093 42.059 0.057 0.000 0.961 4 H N 1.613 120.703 119.070 0.032 0.000 3.001 4 H HA 0.151 4.707 4.556 0.001 0.000 0.334 4 H C -0.797 174.562 175.328 0.052 0.000 1.034 4 H CA 0.840 56.913 56.048 0.042 0.000 1.420 4 H CB 1.460 31.247 29.762 0.042 0.000 1.405 4 H HN 0.504 nan 8.280 nan 0.000 0.593 5 S N 5.907 121.280 115.700 -0.544 0.000 2.669 5 S HA 0.282 4.752 4.470 0.001 0.000 0.315 5 S C -1.860 172.515 174.600 -0.376 0.000 1.106 5 S CA -1.546 56.488 58.200 -0.277 0.000 1.107 5 S CB 1.330 64.459 63.200 -0.118 0.000 0.990 5 S HN 0.555 nan 8.310 nan 0.000 0.471 6 P HA -0.016 nan 4.420 nan 0.000 0.215 6 P C 1.619 179.005 177.300 0.143 0.000 1.153 6 P CA 1.169 64.379 63.100 0.184 0.000 0.853 6 P CB -0.031 31.829 31.700 0.266 0.000 0.788 7 G N 0.143 109.026 108.800 0.138 0.000 2.442 7 G HA2 -0.292 3.668 3.960 0.001 0.000 0.219 7 G HA3 -0.292 3.668 3.960 0.001 0.000 0.219 7 G C 1.601 176.577 174.900 0.128 0.000 1.141 7 G CA 0.850 46.028 45.100 0.131 0.000 0.763 7 G HN 0.284 nan 8.290 nan 0.000 0.554 8 K N 0.540 120.968 120.400 0.047 0.000 2.097 8 K HA 0.102 4.422 4.320 0.001 0.000 0.205 8 K C 2.755 179.375 176.600 0.033 0.000 1.050 8 K CA 1.123 57.422 56.287 0.019 0.000 0.938 8 K CB -0.268 32.204 32.500 -0.047 0.000 0.718 8 K HN 0.205 nan 8.250 nan 0.000 0.442 9 A N 0.588 123.428 122.820 0.032 0.000 1.930 9 A HA -0.131 4.190 4.320 0.001 0.000 0.217 9 A C 1.923 179.579 177.584 0.121 0.000 1.175 9 A CA 1.002 53.091 52.037 0.086 0.000 0.627 9 A CB -0.684 18.417 19.000 0.168 0.000 0.815 9 A HN 0.486 nan 8.150 nan 0.000 0.443 10 F N 0.758 120.725 119.950 0.028 0.000 2.102 10 F HA -0.143 4.385 4.527 0.001 0.000 0.298 10 F C 2.377 178.181 175.800 0.008 0.000 1.105 10 F CA 1.879 59.893 58.000 0.023 0.000 1.239 10 F CB -0.228 38.776 39.000 0.006 0.000 0.991 10 F HN 0.113 nan 8.300 nan 0.000 0.474 11 R N 0.002 120.552 120.500 0.084 0.000 2.120 11 R HA -0.107 4.234 4.340 0.001 0.000 0.234 11 R C 2.402 178.658 176.300 -0.073 0.000 1.123 11 R CA 1.138 57.232 56.100 -0.009 0.000 0.975 11 R CB -0.765 29.572 30.300 0.061 0.000 0.866 11 R HN 0.383 nan 8.270 nan 0.000 0.446 12 A N 1.155 123.949 122.820 -0.043 0.000 1.930 12 A HA -0.045 4.276 4.320 0.001 0.000 0.217 12 A C 2.354 179.891 177.584 -0.078 0.000 1.175 12 A CA 1.460 53.472 52.037 -0.042 0.000 0.627 12 A CB -0.559 18.436 19.000 -0.008 0.000 0.815 12 A HN 0.372 nan 8.150 nan 0.000 0.443 13 A N -0.201 122.546 122.820 -0.121 0.000 1.933 13 A HA -0.042 4.279 4.320 0.001 0.000 0.218 13 A C 2.127 179.596 177.584 -0.192 0.000 1.175 13 A CA 1.418 53.367 52.037 -0.146 0.000 0.628 13 A CB -0.589 18.305 19.000 -0.177 0.000 0.814 13 A HN 0.469 nan 8.150 nan 0.000 0.444 14 L N -0.787 120.268 121.223 -0.279 0.000 2.131 14 L HA -0.162 4.179 4.340 0.001 0.000 0.210 14 L C 2.638 179.428 176.870 -0.133 0.000 1.092 14 L CA 1.697 56.395 54.840 -0.237 0.000 0.759 14 L CB -0.598 41.310 42.059 -0.251 0.000 0.903 14 L HN 0.340 nan 8.230 nan 0.000 0.435 15 T N -1.087 113.404 114.554 -0.105 0.000 2.951 15 T HA -0.082 4.268 4.350 0.001 0.000 0.268 15 T C 1.819 176.484 174.700 -0.058 0.000 1.073 15 T CA 0.841 62.900 62.100 -0.068 0.000 1.134 15 T CB 0.083 68.921 68.868 -0.050 0.000 0.884 15 T HN 0.127 nan 8.240 nan 0.000 0.479 16 K N 0.812 121.175 120.400 -0.062 0.000 2.323 16 K HA 0.256 4.576 4.320 0.001 0.000 0.197 16 K C 0.749 177.319 176.600 -0.049 0.000 1.043 16 K CA 0.311 56.569 56.287 -0.048 0.000 0.997 16 K CB 0.510 32.986 32.500 -0.039 0.000 0.807 16 K HN 0.403 nan 8.250 nan 0.000 0.497 17 E N 1.251 121.414 120.200 -0.062 0.000 2.263 17 E HA 0.201 4.551 4.350 0.001 0.000 0.268 17 E C -1.427 175.136 176.600 -0.061 0.000 0.884 17 E CA -0.384 55.984 56.400 -0.053 0.000 0.766 17 E CB 1.085 30.758 29.700 -0.045 0.000 1.196 17 E HN -0.081 nan 8.360 nan 0.000 0.416 18 N N 5.440 124.110 118.700 -0.049 0.000 2.549 18 N HA 0.283 5.024 4.740 0.001 0.000 0.290 18 N C -2.876 172.611 175.510 -0.039 0.000 1.122 18 N CA -1.435 51.583 53.050 -0.053 0.000 0.885 18 N CB 2.124 40.577 38.487 -0.058 0.000 1.455 18 N HN 0.320 nan 8.380 nan 0.000 0.521 19 P HA 0.144 nan 4.420 nan 0.000 0.275 19 P C -0.148 177.129 177.300 -0.039 0.000 1.228 19 P CA -0.542 62.523 63.100 -0.057 0.000 0.786 19 P CB 1.549 33.204 31.700 -0.074 0.000 0.927 20 L N 3.061 124.246 121.223 -0.064 0.000 2.361 20 L HA 0.112 4.453 4.340 0.001 0.000 0.278 20 L C 0.484 177.361 176.870 0.012 0.000 1.113 20 L CA -0.168 54.643 54.840 -0.048 0.000 0.849 20 L CB 0.195 42.176 42.059 -0.130 0.000 1.155 20 L HN 0.438 nan 8.230 nan 0.000 0.452 21 Q N 5.822 125.697 119.800 0.124 0.000 2.288 21 Q HA 0.401 4.741 4.340 0.001 0.000 0.258 21 Q C -0.895 175.271 176.000 0.278 0.000 0.957 21 Q CA 0.068 56.046 55.803 0.291 0.000 0.919 21 Q CB 1.673 30.701 28.738 0.484 0.000 1.185 21 Q HN 0.574 nan 8.270 nan 0.000 0.408 22 I N 3.317 123.986 120.570 0.164 0.000 2.410 22 I HA 0.302 4.472 4.170 0.001 0.000 0.286 22 I C -0.270 175.893 176.117 0.078 0.000 1.009 22 I CA -1.100 60.266 61.300 0.110 0.000 1.111 22 I CB 1.542 39.579 38.000 0.061 0.000 1.262 22 I HN 0.296 nan 8.210 nan 0.000 0.443 23 V N 2.386 122.283 119.914 -0.029 0.000 2.547 23 V HA 0.808 4.928 4.120 0.001 0.000 0.299 23 V C 0.588 176.725 176.094 0.072 0.000 1.040 23 V CA -0.559 61.708 62.300 -0.055 0.000 0.913 23 V CB 1.248 32.799 31.823 -0.454 0.000 0.992 23 V HN 0.786 nan 8.190 nan 0.000 0.449 24 G N 2.548 111.451 108.800 0.172 0.000 2.441 24 G HA2 0.500 4.460 3.960 0.001 0.000 0.243 24 G HA3 0.500 4.460 3.960 0.001 0.000 0.243 24 G C 0.175 175.153 174.900 0.130 0.000 1.281 24 G CA 0.331 45.579 45.100 0.247 0.000 0.854 24 G HN 1.414 nan 8.290 nan 0.000 0.560 25 T N 0.728 115.341 114.554 0.098 0.000 2.864 25 T HA 0.295 4.646 4.350 0.001 0.000 0.299 25 T C 0.983 175.708 174.700 0.043 0.000 1.011 25 T CA -0.657 61.505 62.100 0.104 0.000 0.975 25 T CB 1.489 70.412 68.868 0.093 0.000 0.962 25 T HN 0.217 nan 8.240 nan 0.000 0.448 26 I N 2.870 123.470 120.570 0.050 0.000 2.493 26 I HA 0.084 4.255 4.170 0.001 0.000 0.254 26 I C 0.779 176.830 176.117 -0.111 0.000 1.160 26 I CA 0.840 62.088 61.300 -0.087 0.000 1.445 26 I CB -0.237 37.709 38.000 -0.089 0.000 1.086 26 I HN 0.923 nan 8.210 nan 0.000 0.433 27 N N -2.322 116.324 118.700 -0.089 0.000 3.039 27 N HA 0.321 5.061 4.740 0.001 0.000 0.257 27 N C 0.668 176.167 175.510 -0.018 0.000 1.497 27 N CA -0.113 52.888 53.050 -0.083 0.000 0.861 27 N CB 0.849 39.256 38.487 -0.132 0.000 1.479 27 N HN -0.165 nan 8.380 nan 0.000 0.547 28 A N 0.628 123.441 122.820 -0.011 0.000 1.908 28 A HA -0.274 4.046 4.320 0.001 0.000 0.218 28 A C 1.926 179.545 177.584 0.059 0.000 1.181 28 A CA 1.946 53.996 52.037 0.023 0.000 0.627 28 A CB -1.151 17.856 19.000 0.011 0.000 0.818 28 A HN 0.815 nan 8.150 nan 0.000 0.445 29 N N -0.631 118.103 118.700 0.056 0.000 2.069 29 N HA -0.236 4.505 4.740 0.001 0.000 0.191 29 N C 1.616 177.267 175.510 0.235 0.000 1.031 29 N CA 2.017 55.139 53.050 0.121 0.000 0.852 29 N CB -0.436 38.117 38.487 0.109 0.000 1.018 29 N HN 0.590 nan 8.380 nan 0.000 0.423 30 H N 0.292 119.386 119.070 0.041 0.000 2.457 30 H HA 0.127 4.684 4.556 0.001 0.000 0.294 30 H C 1.895 177.252 175.328 0.048 0.000 1.064 30 H CA 1.003 57.079 56.048 0.047 0.000 1.330 30 H CB -0.487 29.306 29.762 0.050 0.000 1.395 30 H HN 0.391 nan 8.280 nan 0.000 0.541 31 A N 0.457 123.377 122.820 0.167 0.000 1.930 31 A HA -0.067 4.253 4.320 0.001 0.000 0.217 31 A C 2.412 180.063 177.584 0.111 0.000 1.175 31 A CA 0.973 53.079 52.037 0.115 0.000 0.627 31 A CB -0.647 18.405 19.000 0.088 0.000 0.815 31 A HN 0.338 nan 8.150 nan 0.000 0.443 32 L N -0.667 120.622 121.223 0.109 0.000 2.109 32 L HA -0.117 4.224 4.340 0.001 0.000 0.207 32 L C 2.478 179.407 176.870 0.099 0.000 1.086 32 L CA 0.749 55.648 54.840 0.099 0.000 0.760 32 L CB -0.506 41.608 42.059 0.093 0.000 0.910 32 L HN 0.357 nan 8.230 nan 0.000 0.437 33 L N -0.303 120.977 121.223 0.095 0.000 2.056 33 L HA -0.176 4.165 4.340 0.001 0.000 0.207 33 L C 2.900 179.827 176.870 0.095 0.000 1.078 33 L CA 1.124 56.004 54.840 0.066 0.000 0.749 33 L CB -0.724 41.334 42.059 -0.002 0.000 0.901 33 L HN 0.240 nan 8.230 nan 0.000 0.433 34 A N -0.422 122.464 122.820 0.111 0.000 1.902 34 A HA -0.283 4.038 4.320 0.001 0.000 0.217 34 A C 2.263 180.010 177.584 0.272 0.000 1.181 34 A CA 1.830 53.983 52.037 0.194 0.000 0.623 34 A CB -0.558 18.490 19.000 0.080 0.000 0.818 34 A HN 0.487 nan 8.150 nan 0.000 0.443 35 Q N -0.436 119.470 119.800 0.176 0.000 2.084 35 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 35 Q C 2.209 178.277 176.000 0.113 0.000 0.978 35 Q CA 1.649 57.541 55.803 0.148 0.000 0.844 35 Q CB -0.111 28.694 28.738 0.113 0.000 0.898 35 Q HN 0.662 nan 8.270 nan 0.000 0.426 36 R N -0.410 120.150 120.500 0.099 0.000 2.148 36 R HA -0.048 4.293 4.340 0.001 0.000 0.227 36 R C 2.049 178.381 176.300 0.053 0.000 1.103 36 R CA 0.899 57.041 56.100 0.070 0.000 0.983 36 R CB -0.165 30.175 30.300 0.067 0.000 0.874 36 R HN 0.256 nan 8.270 nan 0.000 0.451 37 A N -0.160 122.710 122.820 0.084 0.000 2.167 37 A HA 0.159 4.480 4.320 0.001 0.000 0.214 37 A C 1.535 179.053 177.584 -0.109 0.000 1.151 37 A CA 1.066 53.126 52.037 0.037 0.000 0.735 37 A CB -0.038 19.067 19.000 0.174 0.000 0.802 37 A HN 0.460 nan 8.150 nan 0.000 0.467 38 G N -2.850 105.910 108.800 -0.068 0.000 2.201 38 G HA2 -0.231 3.729 3.960 0.001 0.000 0.212 38 G HA3 -0.231 3.729 3.960 0.001 0.000 0.212 38 G C 0.036 174.835 174.900 -0.170 0.000 0.994 38 G CA -0.040 44.975 45.100 -0.142 0.000 0.644 38 G HN 0.353 nan 8.290 nan 0.000 0.508 39 Y N 1.248 121.566 120.300 0.030 0.000 2.597 39 Y HA 0.315 4.866 4.550 0.001 0.000 0.336 39 Y C 1.784 177.712 175.900 0.047 0.000 1.216 39 Y CA 0.772 58.898 58.100 0.043 0.000 1.463 39 Y CB 0.650 39.148 38.460 0.062 0.000 1.303 39 Y HN 0.078 nan 8.280 nan 0.000 0.576 40 Q N 1.566 121.477 119.800 0.185 0.000 2.356 40 Q HA 0.395 4.735 4.340 0.001 0.000 0.205 40 Q C -0.169 175.915 176.000 0.139 0.000 0.901 40 Q CA 0.294 56.166 55.803 0.115 0.000 0.938 40 Q CB 0.751 29.515 28.738 0.043 0.000 1.081 40 Q HN 0.658 nan 8.270 nan 0.000 0.517 41 A N 0.777 123.714 122.820 0.195 0.000 2.574 41 A HA 0.721 5.041 4.320 0.001 0.000 0.297 41 A C -0.847 176.876 177.584 0.232 0.000 1.062 41 A CA -0.781 51.397 52.037 0.235 0.000 0.686 41 A CB 1.148 20.294 19.000 0.244 0.000 1.285 41 A HN 0.181 nan 8.150 nan 0.000 0.403 42 I N -1.847 118.863 120.570 0.232 0.000 3.206 42 I HA 0.886 5.057 4.170 0.001 0.000 0.313 42 I C -1.028 175.239 176.117 0.251 0.000 1.103 42 I CA -1.136 60.276 61.300 0.188 0.000 0.985 42 I CB 2.128 40.209 38.000 0.134 0.000 1.240 42 I HN 0.734 nan 8.210 nan 0.000 0.464 43 Y N 2.219 122.552 120.300 0.054 0.000 2.492 43 Y HA 0.676 5.226 4.550 0.001 0.000 0.346 43 Y C -1.861 174.058 175.900 0.032 0.000 0.997 43 Y CA -1.245 56.883 58.100 0.047 0.000 1.025 43 Y CB 2.110 40.603 38.460 0.055 0.000 1.263 43 Y HN 0.636 nan 8.280 nan 0.000 0.454 44 L N 5.707 126.589 121.223 -0.569 0.000 2.283 44 L HA 0.487 4.827 4.340 0.001 0.000 0.281 44 L C -0.411 175.915 176.870 -0.907 0.000 1.033 44 L CA -0.101 54.427 54.840 -0.520 0.000 0.848 44 L CB 0.672 42.562 42.059 -0.281 0.000 1.226 44 L HN 0.636 nan 8.230 nan 0.000 0.429 45 S N 2.844 118.126 115.700 -0.695 0.000 2.533 45 S HA 0.333 4.804 4.470 0.001 0.000 0.282 45 S C 1.459 175.950 174.600 -0.182 0.000 1.304 45 S CA 0.228 58.205 58.200 -0.372 0.000 1.063 45 S CB 0.973 64.183 63.200 0.015 0.000 0.881 45 S HN 0.895 nan 8.310 nan 0.000 0.493 46 G N 3.913 112.679 108.800 -0.057 0.000 2.403 46 G HA2 -0.004 3.957 3.960 0.001 0.000 0.216 46 G HA3 -0.004 3.957 3.960 0.001 0.000 0.216 46 G C 1.344 176.255 174.900 0.019 0.000 1.154 46 G CA 0.518 45.618 45.100 0.000 0.000 0.784 46 G HN 0.898 nan 8.290 nan 0.000 0.538 47 G N 0.612 109.448 108.800 0.059 0.000 2.443 47 G HA2 0.110 4.071 3.960 0.001 0.000 0.219 47 G HA3 0.110 4.071 3.960 0.001 0.000 0.219 47 G C 1.637 176.523 174.900 -0.024 0.000 1.131 47 G CA 1.283 46.419 45.100 0.059 0.000 0.775 47 G HN 0.546 nan 8.290 nan 0.000 0.547 48 G N 0.224 108.952 108.800 -0.120 0.000 2.408 48 G HA2 -0.027 3.934 3.960 0.001 0.000 0.215 48 G HA3 -0.027 3.934 3.960 0.001 0.000 0.215 48 G C 1.708 176.442 174.900 -0.277 0.000 1.156 48 G CA 0.921 45.806 45.100 -0.357 0.000 0.793 48 G HN 0.273 nan 8.290 nan 0.000 0.535 49 V N 1.602 121.420 119.914 -0.160 0.000 2.343 49 V HA -0.140 3.981 4.120 0.001 0.000 0.247 49 V C 3.275 179.330 176.094 -0.065 0.000 1.051 49 V CA 2.092 64.327 62.300 -0.110 0.000 1.036 49 V CB -0.757 31.023 31.823 -0.071 0.000 0.654 49 V HN 0.467 nan 8.190 nan 0.000 0.451 50 A N 0.052 122.853 122.820 -0.032 0.000 1.832 50 A HA -0.085 4.236 4.320 0.001 0.000 0.214 50 A C 2.406 180.001 177.584 0.018 0.000 1.200 50 A CA 2.164 54.206 52.037 0.007 0.000 0.610 50 A CB -1.055 17.965 19.000 0.034 0.000 0.842 50 A HN 0.558 nan 8.150 nan 0.000 0.444 51 A N -1.134 121.703 122.820 0.029 0.000 1.969 51 A HA 0.229 4.549 4.320 0.001 0.000 0.218 51 A C 2.252 179.932 177.584 0.161 0.000 1.169 51 A CA 1.937 54.042 52.037 0.114 0.000 0.635 51 A CB -1.027 18.099 19.000 0.211 0.000 0.810 51 A HN 0.697 nan 8.150 nan 0.000 0.445 52 G N -1.422 107.371 108.800 -0.013 0.000 2.564 52 G HA2 0.054 4.014 3.960 0.001 0.000 0.212 52 G HA3 0.054 4.014 3.960 0.001 0.000 0.212 52 G C 1.753 176.666 174.900 0.021 0.000 1.199 52 G CA 0.959 46.074 45.100 0.026 0.000 0.832 52 G HN 0.434 nan 8.290 nan 0.000 0.565 53 S N 0.392 116.061 115.700 -0.052 0.000 2.402 53 S HA 0.080 4.550 4.470 0.001 0.000 0.229 53 S C 2.096 176.692 174.600 -0.006 0.000 1.021 53 S CA 0.746 58.927 58.200 -0.032 0.000 0.974 53 S CB -0.116 63.048 63.200 -0.059 0.000 0.800 53 S HN 0.243 nan 8.310 nan 0.000 0.484 54 L N -0.462 120.763 121.223 0.002 0.000 2.609 54 L HA 0.325 4.666 4.340 0.001 0.000 0.230 54 L C 1.500 178.389 176.870 0.031 0.000 1.087 54 L CA 0.335 55.182 54.840 0.013 0.000 0.874 54 L CB -0.261 41.803 42.059 0.009 0.000 1.114 54 L HN 0.423 nan 8.230 nan 0.000 0.488 55 G N 1.573 110.405 108.800 0.052 0.000 2.176 55 G HA2 -0.257 3.704 3.960 0.001 0.000 0.252 55 G HA3 -0.257 3.704 3.960 0.001 0.000 0.252 55 G C -0.101 174.834 174.900 0.058 0.000 1.024 55 G CA 0.270 45.411 45.100 0.069 0.000 0.755 55 G HN 0.220 nan 8.290 nan 0.000 0.507 56 L N -1.020 120.235 121.223 0.054 0.000 2.301 56 L HA 0.589 4.929 4.340 0.001 0.000 0.264 56 L C -2.169 174.734 176.870 0.055 0.000 1.016 56 L CA -2.754 52.114 54.840 0.047 0.000 0.821 56 L CB 1.998 44.079 42.059 0.037 0.000 1.346 56 L HN -0.172 nan 8.230 nan 0.000 0.429 57 P HA -0.001 nan 4.420 nan 0.000 0.271 57 P C -0.987 176.345 177.300 0.054 0.000 1.218 57 P CA -0.150 62.982 63.100 0.054 0.000 0.780 57 P CB 0.435 32.161 31.700 0.044 0.000 0.901 58 D N 2.581 123.018 120.400 0.062 0.000 2.608 58 D HA 0.079 4.720 4.640 0.001 0.000 0.224 58 D C -0.276 176.053 176.300 0.048 0.000 1.123 58 D CA 0.407 54.443 54.000 0.060 0.000 1.030 58 D CB -1.025 39.821 40.800 0.078 0.000 1.093 58 D HN 0.224 nan 8.370 nan 0.000 0.497 59 L N 1.211 122.458 121.223 0.040 0.000 3.291 59 L HA 0.355 4.695 4.340 0.001 0.000 0.307 59 L C 1.261 178.143 176.870 0.020 0.000 1.303 59 L CA -0.411 54.446 54.840 0.027 0.000 0.949 59 L CB 0.602 42.678 42.059 0.027 0.000 1.375 59 L HN 0.423 nan 8.230 nan 0.000 0.596 60 G N 0.415 109.228 108.800 0.022 0.000 2.176 60 G HA2 -0.287 3.674 3.960 0.001 0.000 0.252 60 G HA3 -0.287 3.674 3.960 0.001 0.000 0.252 60 G C 0.635 175.567 174.900 0.053 0.000 1.024 60 G CA 0.709 45.821 45.100 0.019 0.000 0.755 60 G HN 0.464 nan 8.290 nan 0.000 0.507 61 I N 0.843 121.449 120.570 0.060 0.000 2.731 61 I HA 0.052 4.222 4.170 0.001 0.000 0.260 61 I C 2.041 178.204 176.117 0.075 0.000 1.138 61 I CA 0.830 62.165 61.300 0.058 0.000 1.461 61 I CB -0.326 37.699 38.000 0.042 0.000 1.128 61 I HN 0.443 nan 8.210 nan 0.000 0.438 62 S N 1.393 117.150 115.700 0.095 0.000 2.576 62 S HA 0.154 4.625 4.470 0.001 0.000 0.272 62 S C 0.324 175.004 174.600 0.134 0.000 1.352 62 S CA -0.436 57.819 58.200 0.091 0.000 1.021 62 S CB 0.495 63.755 63.200 0.099 0.000 0.887 62 S HN 0.389 nan 8.310 nan 0.000 0.542 63 T N -0.638 113.917 114.554 0.002 0.000 2.949 63 T HA 0.485 4.836 4.350 0.001 0.000 0.287 63 T C 0.928 175.322 174.700 -0.509 0.000 1.034 63 T CA -0.765 61.275 62.100 -0.101 0.000 1.018 63 T CB 1.003 69.819 68.868 -0.088 0.000 1.135 63 T HN 0.559 nan 8.240 nan 0.000 0.532 64 L N 0.960 121.691 121.223 -0.820 0.000 2.043 64 L HA -0.029 4.312 4.340 0.001 0.000 0.212 64 L C 1.681 178.229 176.870 -0.536 0.000 1.075 64 L CA 2.156 56.322 54.840 -1.122 0.000 0.752 64 L CB -1.291 40.367 42.059 -0.668 0.000 0.891 64 L HN 0.829 nan 8.230 nan 0.000 0.432 65 D N -0.544 119.667 120.400 -0.316 0.000 2.178 65 D HA -0.168 4.472 4.640 0.001 0.000 0.202 65 D C 1.706 177.905 176.300 -0.169 0.000 0.974 65 D CA 1.256 55.138 54.000 -0.197 0.000 0.841 65 D CB -0.142 40.580 40.800 -0.129 0.000 0.953 65 D HN 0.451 nan 8.370 nan 0.000 0.478 66 D N 0.192 120.490 120.400 -0.170 0.000 2.117 66 D HA -0.108 4.533 4.640 0.001 0.000 0.197 66 D C 2.214 178.435 176.300 -0.131 0.000 0.987 66 D CA 0.693 54.621 54.000 -0.120 0.000 0.829 66 D CB -0.145 40.602 40.800 -0.088 0.000 0.961 66 D HN 0.139 nan 8.370 nan 0.000 0.460 67 V N 1.350 121.151 119.914 -0.188 0.000 2.379 67 V HA -0.173 3.947 4.120 0.001 0.000 0.245 67 V C 2.704 178.715 176.094 -0.139 0.000 1.044 67 V CA 0.895 63.100 62.300 -0.159 0.000 1.036 67 V CB -0.439 31.275 31.823 -0.182 0.000 0.664 67 V HN 0.170 nan 8.190 nan 0.000 0.453 68 L N -0.172 120.953 121.223 -0.163 0.000 2.042 68 L HA -0.204 4.136 4.340 0.001 0.000 0.210 68 L C 2.655 179.472 176.870 -0.087 0.000 1.076 68 L CA 1.986 56.756 54.840 -0.117 0.000 0.749 68 L CB -1.078 40.907 42.059 -0.124 0.000 0.893 68 L HN 0.360 nan 8.230 nan 0.000 0.432 69 T N -0.853 113.648 114.554 -0.089 0.000 2.684 69 T HA -0.195 4.155 4.350 0.001 0.000 0.267 69 T C 1.435 176.099 174.700 -0.060 0.000 1.036 69 T CA 1.674 63.734 62.100 -0.067 0.000 1.148 69 T CB -0.232 68.598 68.868 -0.065 0.000 0.863 69 T HN 0.315 nan 8.240 nan 0.000 0.436 70 D N 0.584 120.942 120.400 -0.070 0.000 2.183 70 D HA 0.064 4.704 4.640 0.001 0.000 0.203 70 D C 2.033 178.300 176.300 -0.054 0.000 0.969 70 D CA 0.462 54.423 54.000 -0.065 0.000 0.842 70 D CB -0.298 40.453 40.800 -0.081 0.000 0.957 70 D HN 0.377 nan 8.370 nan 0.000 0.484 71 I N 0.646 121.183 120.570 -0.056 0.000 2.179 71 I HA -0.240 3.930 4.170 0.001 0.000 0.242 71 I C 2.451 178.556 176.117 -0.021 0.000 1.088 71 I CA 1.033 62.311 61.300 -0.036 0.000 1.357 71 I CB -0.105 37.876 38.000 -0.033 0.000 1.051 71 I HN -0.081 nan 8.210 nan 0.000 0.409 72 R N 0.404 120.888 120.500 -0.028 0.000 2.081 72 R HA -0.153 4.188 4.340 0.001 0.000 0.235 72 R C 2.473 178.765 176.300 -0.013 0.000 1.131 72 R CA 1.300 57.388 56.100 -0.019 0.000 0.960 72 R CB -0.357 29.927 30.300 -0.026 0.000 0.856 72 R HN 0.261 nan 8.270 nan 0.000 0.436 73 R N 0.526 121.014 120.500 -0.020 0.000 2.083 73 R HA -0.098 4.243 4.340 0.001 0.000 0.237 73 R C 2.241 178.538 176.300 -0.005 0.000 1.137 73 R CA 1.538 57.629 56.100 -0.016 0.000 0.951 73 R CB -0.321 29.964 30.300 -0.025 0.000 0.851 73 R HN 0.199 nan 8.270 nan 0.000 0.434 74 I N -0.386 120.181 120.570 -0.004 0.000 2.163 74 I HA -0.256 3.915 4.170 0.001 0.000 0.240 74 I C 2.337 178.468 176.117 0.024 0.000 1.081 74 I CA 1.759 63.066 61.300 0.012 0.000 1.353 74 I CB -0.488 37.518 38.000 0.010 0.000 1.054 74 I HN 0.353 nan 8.210 nan 0.000 0.407 75 T N -2.695 111.872 114.554 0.022 0.000 3.007 75 T HA -0.110 4.240 4.350 0.001 0.000 0.270 75 T C 1.394 176.107 174.700 0.021 0.000 1.107 75 T CA 0.980 63.099 62.100 0.031 0.000 1.118 75 T CB -0.363 68.528 68.868 0.040 0.000 0.889 75 T HN 0.172 nan 8.240 nan 0.000 0.506 76 D N 0.636 121.045 120.400 0.015 0.000 2.178 76 D HA 0.010 4.650 4.640 0.001 0.000 0.202 76 D C 1.973 178.285 176.300 0.020 0.000 0.974 76 D CA 0.590 54.598 54.000 0.013 0.000 0.841 76 D CB -0.038 40.767 40.800 0.008 0.000 0.953 76 D HN 0.377 nan 8.370 nan 0.000 0.478 77 V N -0.816 119.114 119.914 0.026 0.000 3.635 77 V HA 0.177 4.297 4.120 0.001 0.000 0.266 77 V C 0.075 176.194 176.094 0.042 0.000 1.316 77 V CA 0.046 62.369 62.300 0.037 0.000 1.060 77 V CB 0.905 32.751 31.823 0.038 0.000 0.820 77 V HN 0.199 nan 8.190 nan 0.000 0.447 78 C N 1.018 120.343 119.300 0.042 0.000 2.322 78 C HA 0.558 5.019 4.460 0.001 0.000 0.324 78 C C 1.989 177.004 174.990 0.043 0.000 1.284 78 C CA 0.141 59.190 59.018 0.051 0.000 1.606 78 C CB 0.895 28.674 27.740 0.066 0.000 2.251 78 C HN 0.607 nan 8.230 nan 0.000 0.502 79 S N 5.035 120.757 115.700 0.035 0.000 2.561 79 S HA 0.107 4.578 4.470 0.001 0.000 0.225 79 S C 0.478 175.116 174.600 0.063 0.000 0.977 79 S CA 0.100 58.307 58.200 0.011 0.000 0.926 79 S CB -0.453 62.736 63.200 -0.018 0.000 0.769 79 S HN 0.765 nan 8.310 nan 0.000 0.533 80 L N 3.237 124.518 121.223 0.097 0.000 2.456 80 L HA 0.286 4.627 4.340 0.001 0.000 0.272 80 L C -2.028 174.944 176.870 0.171 0.000 1.189 80 L CA -1.930 52.994 54.840 0.140 0.000 0.846 80 L CB -0.062 42.085 42.059 0.146 0.000 1.111 80 L HN 0.077 nan 8.230 nan 0.000 0.475 81 P HA 0.041 nan 4.420 nan 0.000 0.267 81 P C -0.894 176.544 177.300 0.229 0.000 1.205 81 P CA -0.291 62.964 63.100 0.259 0.000 0.765 81 P CB 1.167 33.087 31.700 0.367 0.000 0.828 82 L N 4.894 126.202 121.223 0.142 0.000 2.280 82 L HA 0.356 4.697 4.340 0.001 0.000 0.287 82 L C -0.539 176.329 176.870 -0.004 0.000 1.023 82 L CA -0.741 54.155 54.840 0.093 0.000 0.819 82 L CB 0.860 42.961 42.059 0.070 0.000 1.212 82 L HN 0.300 nan 8.230 nan 0.000 0.420 83 L N 6.177 127.401 121.223 0.001 0.000 2.305 83 L HA 0.519 4.859 4.340 0.001 0.000 0.281 83 L C -0.968 175.919 176.870 0.028 0.000 1.085 83 L CA -0.426 54.364 54.840 -0.083 0.000 0.813 83 L CB 1.436 43.517 42.059 0.037 0.000 1.157 83 L HN 0.448 nan 8.230 nan 0.000 0.436 84 V N 3.680 123.559 119.914 -0.058 0.000 2.555 84 V HA 0.227 4.347 4.120 0.001 0.000 0.302 84 V C -0.282 175.661 176.094 -0.252 0.000 1.038 84 V CA -0.897 61.314 62.300 -0.148 0.000 0.887 84 V CB 1.930 33.715 31.823 -0.062 0.000 0.991 84 V HN 0.634 nan 8.190 nan 0.000 0.434 85 D N 3.575 123.740 120.400 -0.391 0.000 2.338 85 D HA 0.358 4.999 4.640 0.001 0.000 0.255 85 D C 0.474 176.629 176.300 -0.241 0.000 1.237 85 D CA 0.013 53.681 54.000 -0.554 0.000 0.883 85 D CB 1.762 42.437 40.800 -0.208 0.000 1.087 85 D HN 0.674 nan 8.370 nan 0.000 0.485 86 A N 4.116 126.793 122.820 -0.238 0.000 2.500 86 A HA 0.173 4.493 4.320 0.001 0.000 0.267 86 A C 1.010 178.428 177.584 -0.278 0.000 1.290 86 A CA -0.200 51.835 52.037 -0.004 0.000 0.928 86 A CB 0.073 19.114 19.000 0.069 0.000 1.066 86 A HN 0.656 nan 8.150 nan 0.000 0.516 87 D N 0.061 120.315 120.400 -0.244 0.000 3.899 87 D HA -0.304 4.336 4.640 0.001 0.000 0.146 87 D C 1.047 177.180 176.300 -0.279 0.000 0.820 87 D CA 2.566 56.398 54.000 -0.279 0.000 1.056 87 D CB -0.996 39.535 40.800 -0.449 0.000 0.474 87 D HN 0.806 nan 8.370 nan 0.000 0.457 88 I N -2.752 117.585 120.570 -0.388 0.000 3.976 88 I HA 0.531 4.701 4.170 0.001 0.000 0.337 88 I C 1.265 177.237 176.117 -0.243 0.000 1.359 88 I CA 0.623 61.770 61.300 -0.256 0.000 1.098 88 I CB 0.763 38.645 38.000 -0.197 0.000 1.027 88 I HN 0.574 nan 8.210 nan 0.000 0.394 89 G N 0.920 109.514 108.800 -0.343 0.000 2.184 89 G HA2 -0.254 3.706 3.960 0.001 0.000 0.206 89 G HA3 -0.254 3.706 3.960 0.001 0.000 0.206 89 G C 0.194 175.103 174.900 0.015 0.000 0.995 89 G CA -0.265 44.763 45.100 -0.120 0.000 0.651 89 G HN 0.302 nan 8.290 nan 0.000 0.511 90 F N -0.935 119.006 119.950 -0.015 0.000 2.807 90 F HA 0.169 4.697 4.527 0.001 0.000 0.297 90 F C 1.153 176.951 175.800 -0.004 0.000 1.024 90 F CA 1.712 59.706 58.000 -0.010 0.000 1.008 90 F CB -1.288 37.705 39.000 -0.012 0.000 1.142 90 F HN 1.697 nan 8.300 nan 0.000 0.829 91 G N -0.665 108.184 108.800 0.081 0.000 2.350 91 G HA2 0.445 4.406 3.960 0.001 0.000 0.305 91 G HA3 0.445 4.406 3.960 0.001 0.000 0.305 91 G C 0.124 175.031 174.900 0.011 0.000 1.479 91 G CA -0.288 44.851 45.100 0.064 0.000 0.949 91 G HN 0.801 nan 8.290 nan 0.000 0.651 92 S N -1.532 114.171 115.700 0.006 0.000 2.558 92 S HA 0.430 4.900 4.470 0.001 0.000 0.217 92 S C 1.228 175.795 174.600 -0.055 0.000 0.975 92 S CA 1.180 59.366 58.200 -0.023 0.000 0.912 92 S CB -0.076 63.115 63.200 -0.014 0.000 0.776 92 S HN 2.018 nan 8.310 nan 0.000 0.526 93 S N -0.202 115.460 115.700 -0.062 0.000 2.677 93 S HA 0.826 5.296 4.470 0.001 0.000 0.304 93 S C 1.037 175.524 174.600 -0.187 0.000 1.108 93 S CA -0.350 57.748 58.200 -0.171 0.000 0.944 93 S CB 1.274 64.319 63.200 -0.259 0.000 1.127 93 S HN 0.328 nan 8.310 nan 0.000 0.511 94 A N 0.359 122.978 122.820 -0.334 0.000 2.070 94 A HA 0.107 4.427 4.320 0.001 0.000 0.220 94 A C 1.487 179.014 177.584 -0.094 0.000 1.159 94 A CA 1.203 53.102 52.037 -0.231 0.000 0.656 94 A CB -1.111 17.724 19.000 -0.275 0.000 0.800 94 A HN 0.752 nan 8.150 nan 0.000 0.453 95 F N 0.740 120.694 119.950 0.007 0.000 2.186 95 F HA -0.092 4.435 4.527 0.001 0.000 0.299 95 F C 2.239 178.048 175.800 0.014 0.000 1.090 95 F CA 0.715 58.720 58.000 0.008 0.000 1.307 95 F CB -0.895 38.108 39.000 0.006 0.000 1.019 95 F HN 0.243 nan 8.300 nan 0.000 0.489 96 N N 0.530 119.337 118.700 0.178 0.000 2.142 96 N HA -0.112 4.628 4.740 0.001 0.000 0.186 96 N C 2.172 177.748 175.510 0.109 0.000 1.023 96 N CA 1.336 54.464 53.050 0.130 0.000 0.852 96 N CB -0.628 37.921 38.487 0.104 0.000 0.998 96 N HN 0.138 nan 8.380 nan 0.000 0.424 97 V N 2.063 122.019 119.914 0.070 0.000 2.287 97 V HA -0.224 3.897 4.120 0.001 0.000 0.248 97 V C 2.553 178.690 176.094 0.072 0.000 1.053 97 V CA 1.921 64.255 62.300 0.057 0.000 1.027 97 V CB -0.968 30.862 31.823 0.012 0.000 0.646 97 V HN 0.289 nan 8.190 nan 0.000 0.447 98 A N -0.385 122.484 122.820 0.082 0.000 1.902 98 A HA -0.245 4.076 4.320 0.001 0.000 0.217 98 A C 2.417 180.034 177.584 0.055 0.000 1.181 98 A CA 1.996 54.078 52.037 0.075 0.000 0.623 98 A CB -0.555 18.508 19.000 0.106 0.000 0.818 98 A HN 0.465 nan 8.150 nan 0.000 0.443 99 R N -0.984 119.556 120.500 0.068 0.000 2.092 99 R HA -0.100 4.241 4.340 0.001 0.000 0.231 99 R C 2.206 178.518 176.300 0.020 0.000 1.119 99 R CA 1.815 57.936 56.100 0.035 0.000 0.970 99 R CB -0.472 29.853 30.300 0.042 0.000 0.864 99 R HN 0.527 nan 8.270 nan 0.000 0.440 100 T N 0.323 114.913 114.554 0.060 0.000 2.684 100 T HA -0.133 4.217 4.350 0.001 0.000 0.267 100 T C 1.813 176.532 174.700 0.032 0.000 1.036 100 T CA 1.559 63.705 62.100 0.075 0.000 1.148 100 T CB -0.183 68.800 68.868 0.192 0.000 0.863 100 T HN 0.020 nan 8.240 nan 0.000 0.436 101 V N 1.445 121.377 119.914 0.030 0.000 2.261 101 V HA -0.206 3.914 4.120 0.001 0.000 0.246 101 V C 2.468 178.455 176.094 -0.178 0.000 1.047 101 V CA 1.718 64.001 62.300 -0.029 0.000 1.015 101 V CB -0.491 31.346 31.823 0.024 0.000 0.642 101 V HN 0.477 nan 8.190 nan 0.000 0.446 102 K N -0.014 120.315 120.400 -0.117 0.000 2.063 102 K HA -0.154 4.166 4.320 0.001 0.000 0.208 102 K C 2.409 178.921 176.600 -0.147 0.000 1.048 102 K CA 1.791 57.993 56.287 -0.141 0.000 0.928 102 K CB -0.371 32.083 32.500 -0.077 0.000 0.713 102 K HN 0.364 nan 8.250 nan 0.000 0.442 103 S N 1.081 116.719 115.700 -0.103 0.000 2.368 103 S HA -0.098 4.372 4.470 0.001 0.000 0.225 103 S C 1.935 176.469 174.600 -0.111 0.000 1.030 103 S CA 1.294 59.438 58.200 -0.093 0.000 0.999 103 S CB -0.108 63.047 63.200 -0.075 0.000 0.844 103 S HN 0.251 nan 8.310 nan 0.000 0.459 104 M N 0.451 119.978 119.600 -0.120 0.000 2.229 104 M HA -0.011 4.470 4.480 0.001 0.000 0.264 104 M C 1.924 178.113 176.300 -0.184 0.000 1.063 104 M CA 1.208 56.450 55.300 -0.097 0.000 1.114 104 M CB -0.541 32.061 32.600 0.004 0.000 1.387 104 M HN 0.279 nan 8.290 nan 0.000 0.420 105 I N 0.190 120.514 120.570 -0.410 0.000 2.179 105 I HA -0.311 3.860 4.170 0.001 0.000 0.242 105 I C 2.558 178.562 176.117 -0.188 0.000 1.088 105 I CA 1.348 62.362 61.300 -0.477 0.000 1.357 105 I CB -0.442 37.193 38.000 -0.608 0.000 1.051 105 I HN 0.299 nan 8.210 nan 0.000 0.409 106 K N 1.462 121.772 120.400 -0.150 0.000 2.148 106 K HA -0.136 4.184 4.320 0.001 0.000 0.204 106 K C 2.027 178.596 176.600 -0.052 0.000 1.050 106 K CA 1.330 57.567 56.287 -0.082 0.000 0.942 106 K CB -0.045 32.411 32.500 -0.074 0.000 0.724 106 K HN 0.291 nan 8.250 nan 0.000 0.446 107 A N 0.025 122.812 122.820 -0.056 0.000 2.168 107 A HA 0.113 4.434 4.320 0.001 0.000 0.215 107 A C 1.438 179.018 177.584 -0.006 0.000 1.152 107 A CA 1.188 53.205 52.037 -0.033 0.000 0.716 107 A CB -0.342 18.633 19.000 -0.042 0.000 0.794 107 A HN 0.594 nan 8.150 nan 0.000 0.465 108 G N -2.785 106.020 108.800 0.008 0.000 2.192 108 G HA2 0.210 4.171 3.960 0.001 0.000 0.193 108 G HA3 0.210 4.171 3.960 0.001 0.000 0.193 108 G C 0.371 175.333 174.900 0.103 0.000 0.999 108 G CA 0.102 45.233 45.100 0.053 0.000 0.659 108 G HN 1.412 nan 8.290 nan 0.000 0.503 109 A N 0.157 123.052 122.820 0.123 0.000 2.366 109 A HA 0.823 5.144 4.320 0.001 0.000 0.249 109 A C 1.543 179.348 177.584 0.368 0.000 1.084 109 A CA 0.995 53.163 52.037 0.218 0.000 0.794 109 A CB 0.798 19.955 19.000 0.262 0.000 1.034 109 A HN 1.652 nan 8.150 nan 0.000 0.491 110 A N 0.671 123.611 122.820 0.199 0.000 2.115 110 A HA 0.559 4.880 4.320 0.001 0.000 0.211 110 A C 1.039 178.368 177.584 -0.424 0.000 1.169 110 A CA 1.206 53.288 52.037 0.074 0.000 0.787 110 A CB -0.217 18.801 19.000 0.029 0.000 0.858 110 A HN 2.153 nan 8.150 nan 0.000 0.474 111 G N -1.364 107.029 108.800 -0.678 0.000 2.441 111 G HA2 0.573 4.533 3.960 0.001 0.000 0.294 111 G HA3 0.573 4.533 3.960 0.001 0.000 0.294 111 G C -1.665 172.862 174.900 -0.622 0.000 1.393 111 G CA -0.007 44.295 45.100 -1.329 0.000 0.796 111 G HN 1.090 nan 8.290 nan 0.000 0.494 112 L N -2.187 118.766 121.223 -0.451 0.000 2.540 112 L HA 0.941 5.282 4.340 0.001 0.000 0.256 112 L C -0.894 175.969 176.870 -0.011 0.000 1.001 112 L CA -1.442 53.328 54.840 -0.116 0.000 0.843 112 L CB 1.595 43.696 42.059 0.069 0.000 1.436 112 L HN 1.005 nan 8.230 nan 0.000 0.410 113 H N 0.111 119.219 119.070 0.064 0.000 2.538 113 H HA 0.839 5.396 4.556 0.001 0.000 0.353 113 H C -1.267 174.081 175.328 0.034 0.000 1.109 113 H CA -1.117 54.980 56.048 0.081 0.000 1.192 113 H CB 1.695 31.587 29.762 0.217 0.000 1.555 113 H HN 0.981 nan 8.280 nan 0.000 0.518 114 I N 2.743 123.398 120.570 0.141 0.000 2.569 114 I HA 0.339 4.510 4.170 0.001 0.000 0.296 114 I C -0.647 175.458 176.117 -0.020 0.000 1.028 114 I CA -0.827 60.487 61.300 0.023 0.000 1.082 114 I CB 1.657 39.639 38.000 -0.031 0.000 1.264 114 I HN 0.990 nan 8.210 nan 0.000 0.429 115 E N 4.347 124.505 120.200 -0.070 0.000 2.264 115 E HA 0.286 4.637 4.350 0.001 0.000 0.260 115 E C -1.092 175.423 176.600 -0.141 0.000 0.961 115 E CA -0.667 55.659 56.400 -0.123 0.000 0.834 115 E CB 1.481 31.100 29.700 -0.134 0.000 1.230 115 E HN 0.615 nan 8.360 nan 0.000 0.412 116 D N 0.327 120.655 120.400 -0.120 0.000 2.370 116 D HA 0.016 4.657 4.640 0.001 0.000 0.230 116 D C -0.039 176.228 176.300 -0.054 0.000 1.143 116 D CA -0.120 53.828 54.000 -0.087 0.000 0.834 116 D CB 0.040 40.843 40.800 0.005 0.000 0.944 116 D HN 0.308 nan 8.370 nan 0.000 0.504 117 Q N 0.025 119.783 119.800 -0.070 0.000 2.318 117 Q HA 0.379 4.720 4.340 0.001 0.000 0.222 117 Q C 0.197 176.162 176.000 -0.058 0.000 1.003 117 Q CA -0.867 54.902 55.803 -0.056 0.000 0.936 117 Q CB 1.777 30.479 28.738 -0.062 0.000 1.204 117 Q HN 0.000 nan 8.270 nan 0.000 0.524 118 V N 0.461 120.348 119.914 -0.044 0.000 3.385 118 V HA 0.011 4.132 4.120 0.001 0.000 0.301 118 V C 1.582 177.645 176.094 -0.052 0.000 1.082 118 V CA 0.895 63.170 62.300 -0.042 0.000 1.085 118 V CB 0.713 32.519 31.823 -0.028 0.000 1.152 118 V HN 1.104 nan 8.190 nan 0.000 0.465 119 G N 1.150 109.921 108.800 -0.049 0.000 2.574 119 G HA2 -0.219 3.741 3.960 0.001 0.000 0.220 119 G HA3 -0.219 3.741 3.960 0.001 0.000 0.220 119 G C 0.878 175.750 174.900 -0.048 0.000 1.173 119 G CA 0.891 45.959 45.100 -0.053 0.000 0.772 119 G HN 1.097 nan 8.290 nan 0.000 0.585 120 A N 0.923 123.726 122.820 -0.028 0.000 3.056 120 A HA 0.550 4.870 4.320 0.001 0.000 0.274 120 A C 0.657 178.229 177.584 -0.020 0.000 1.661 120 A CA -0.245 51.782 52.037 -0.017 0.000 1.363 120 A CB -0.378 18.618 19.000 -0.006 0.000 1.139 120 A HN 0.490 nan 8.150 nan 0.000 0.598 121 K N 0.953 121.333 120.400 -0.033 0.000 2.156 121 K HA 0.504 4.825 4.320 0.001 0.000 0.242 121 K C 0.316 176.911 176.600 -0.008 0.000 1.033 121 K CA -0.134 56.135 56.287 -0.030 0.000 0.878 121 K CB 0.342 32.811 32.500 -0.052 0.000 1.057 121 K HN 0.673 nan 8.250 nan 0.000 0.505 122 R N -1.454 119.045 120.500 -0.002 0.000 2.831 122 R HA 0.481 4.821 4.340 0.001 0.000 0.266 122 R C -0.880 175.440 176.300 0.033 0.000 1.051 122 R CA -1.001 55.111 56.100 0.021 0.000 0.943 122 R CB 0.975 31.287 30.300 0.021 0.000 1.228 122 R HN 0.678 nan 8.270 nan 0.000 0.467 123 S N -0.650 115.089 115.700 0.065 0.000 2.558 123 S HA 0.048 4.518 4.470 0.001 0.000 0.293 123 S C 1.309 175.956 174.600 0.077 0.000 1.292 123 S CA 0.324 58.587 58.200 0.105 0.000 1.063 123 S CB 0.436 63.724 63.200 0.147 0.000 0.831 123 S HN 0.734 nan 8.310 nan 0.000 0.499 124 G N 2.781 111.625 108.800 0.073 0.000 2.559 124 G HA2 -0.099 3.861 3.960 0.001 0.000 0.216 124 G HA3 -0.099 3.861 3.960 0.001 0.000 0.216 124 G C 0.990 175.789 174.900 -0.169 0.000 1.126 124 G CA 0.294 45.358 45.100 -0.061 0.000 0.778 124 G HN 0.931 nan 8.290 nan 0.000 0.543 125 H N -0.202 118.897 119.070 0.048 0.000 2.505 125 H HA 0.261 4.817 4.556 0.001 0.000 0.289 125 H C 0.400 175.759 175.328 0.052 0.000 1.052 125 H CA -0.148 55.934 56.048 0.057 0.000 1.156 125 H CB 0.687 30.498 29.762 0.081 0.000 1.507 125 H HN 0.082 nan 8.280 nan 0.000 0.548 126 R N 1.622 122.178 120.500 0.094 0.000 2.732 126 R HA 0.334 4.674 4.340 0.001 0.000 0.278 126 R C -2.236 174.083 176.300 0.031 0.000 0.976 126 R CA -1.858 54.284 56.100 0.069 0.000 0.963 126 R CB 1.359 31.697 30.300 0.064 0.000 1.150 126 R HN 0.162 nan 8.270 nan 0.000 0.478 127 P HA 0.135 nan 4.420 nan 0.000 0.277 127 P C -0.690 176.616 177.300 0.009 0.000 1.271 127 P CA -0.311 62.798 63.100 0.015 0.000 0.795 127 P CB 0.499 32.210 31.700 0.018 0.000 1.101 128 N N -1.830 116.872 118.700 0.003 0.000 2.740 128 N HA -0.147 4.594 4.740 0.001 0.000 0.248 128 N C 0.080 175.589 175.510 -0.002 0.000 1.062 128 N CA 1.015 54.066 53.050 0.001 0.000 0.704 128 N CB -1.377 37.113 38.487 0.005 0.000 0.968 128 N HN 0.624 nan 8.380 nan 0.000 0.547 129 K N -0.544 119.851 120.400 -0.008 0.000 2.126 129 K HA 0.705 5.025 4.320 0.001 0.000 0.257 129 K C 0.032 176.625 176.600 -0.013 0.000 1.007 129 K CA -0.419 55.860 56.287 -0.012 0.000 0.928 129 K CB 1.451 33.938 32.500 -0.022 0.000 1.013 129 K HN 0.103 nan 8.250 nan 0.000 0.473 130 A N 3.022 125.834 122.820 -0.014 0.000 2.343 130 A HA 0.585 4.905 4.320 0.001 0.000 0.316 130 A C -0.315 177.260 177.584 -0.016 0.000 1.104 130 A CA -1.113 50.916 52.037 -0.012 0.000 0.768 130 A CB 0.511 19.505 19.000 -0.010 0.000 1.213 130 A HN 0.854 nan 8.150 nan 0.000 0.456 131 I N 0.813 121.377 120.570 -0.009 0.000 2.740 131 I HA 0.827 4.998 4.170 0.001 0.000 0.303 131 I C 0.121 176.238 176.117 0.000 0.000 1.044 131 I CA -1.164 60.133 61.300 -0.006 0.000 1.064 131 I CB 1.842 39.847 38.000 0.008 0.000 1.249 131 I HN 0.526 nan 8.210 nan 0.000 0.433 132 V N 1.607 121.520 119.914 -0.002 0.000 3.336 132 V HA 0.482 4.603 4.120 0.001 0.000 0.304 132 V C 0.814 176.922 176.094 0.025 0.000 1.073 132 V CA -0.127 62.173 62.300 -0.000 0.000 1.074 132 V CB 1.034 32.846 31.823 -0.019 0.000 1.161 132 V HN 1.046 nan 8.190 nan 0.000 0.460 133 S N 0.345 116.058 115.700 0.023 0.000 2.589 133 S HA 0.156 4.626 4.470 0.001 0.000 0.265 133 S C 0.969 175.616 174.600 0.077 0.000 1.342 133 S CA 0.436 58.659 58.200 0.039 0.000 1.005 133 S CB 0.518 63.733 63.200 0.024 0.000 0.909 133 S HN 0.954 nan 8.310 nan 0.000 0.555 134 K N 0.652 121.111 120.400 0.098 0.000 2.063 134 K HA -0.181 4.140 4.320 0.001 0.000 0.208 134 K C 1.780 178.474 176.600 0.157 0.000 1.048 134 K CA 1.955 58.348 56.287 0.176 0.000 0.928 134 K CB -0.308 32.250 32.500 0.097 0.000 0.713 134 K HN 0.713 nan 8.250 nan 0.000 0.442 135 E N 0.785 121.033 120.200 0.080 0.000 2.077 135 E HA -0.165 4.186 4.350 0.001 0.000 0.193 135 E C 1.823 178.438 176.600 0.024 0.000 0.989 135 E CA 1.349 57.779 56.400 0.050 0.000 0.800 135 E CB -0.057 29.659 29.700 0.028 0.000 0.746 135 E HN 0.379 nan 8.360 nan 0.000 0.452 136 E N -0.217 119.991 120.200 0.012 0.000 2.077 136 E HA -0.198 4.153 4.350 0.001 0.000 0.193 136 E C 1.976 178.548 176.600 -0.047 0.000 0.989 136 E CA 1.233 57.621 56.400 -0.019 0.000 0.800 136 E CB -0.157 29.529 29.700 -0.022 0.000 0.746 136 E HN 0.183 nan 8.360 nan 0.000 0.452 137 M N 0.759 120.329 119.600 -0.049 0.000 2.175 137 M HA -0.108 4.372 4.480 0.001 0.000 0.264 137 M C 2.099 178.287 176.300 -0.187 0.000 1.063 137 M CA 1.162 56.355 55.300 -0.179 0.000 1.119 137 M CB -0.172 32.237 32.600 -0.318 0.000 1.377 137 M HN -0.107 nan 8.290 nan 0.000 0.415 138 V N 0.772 120.656 119.914 -0.051 0.000 2.392 138 V HA -0.290 3.830 4.120 0.001 0.000 0.249 138 V C 1.893 177.970 176.094 -0.029 0.000 1.059 138 V CA 2.123 64.421 62.300 -0.003 0.000 1.051 138 V CB -1.037 30.829 31.823 0.072 0.000 0.658 138 V HN 0.429 nan 8.190 nan 0.000 0.455 139 D N -0.312 120.067 120.400 -0.036 0.000 2.144 139 D HA -0.103 4.537 4.640 0.001 0.000 0.200 139 D C 2.407 178.672 176.300 -0.059 0.000 0.978 139 D CA 0.950 54.925 54.000 -0.042 0.000 0.833 139 D CB -0.234 40.536 40.800 -0.050 0.000 0.961 139 D HN 0.417 nan 8.370 nan 0.000 0.470 140 R N 0.270 120.721 120.500 -0.082 0.000 2.075 140 R HA 0.016 4.356 4.340 0.001 0.000 0.232 140 R C 2.527 178.785 176.300 -0.070 0.000 1.126 140 R CA 0.564 56.613 56.100 -0.085 0.000 0.963 140 R CB -0.261 29.973 30.300 -0.111 0.000 0.858 140 R HN 0.258 nan 8.270 nan 0.000 0.435 141 I N 0.589 121.106 120.570 -0.089 0.000 2.252 141 I HA -0.253 3.918 4.170 0.001 0.000 0.245 141 I C 2.501 178.611 176.117 -0.012 0.000 1.102 141 I CA 1.321 62.586 61.300 -0.058 0.000 1.385 141 I CB -0.241 37.712 38.000 -0.078 0.000 1.064 141 I HN 0.122 nan 8.210 nan 0.000 0.414 142 R N 0.674 121.168 120.500 -0.009 0.000 2.096 142 R HA -0.139 4.202 4.340 0.001 0.000 0.235 142 R C 2.430 178.738 176.300 0.013 0.000 1.127 142 R CA 1.461 57.566 56.100 0.009 0.000 0.968 142 R CB -0.419 29.885 30.300 0.008 0.000 0.861 142 R HN 0.374 nan 8.270 nan 0.000 0.440 143 A N 1.128 123.948 122.820 -0.000 0.000 1.898 143 A HA -0.078 4.243 4.320 0.001 0.000 0.216 143 A C 2.354 179.956 177.584 0.030 0.000 1.181 143 A CA 1.563 53.606 52.037 0.010 0.000 0.620 143 A CB -0.583 18.409 19.000 -0.013 0.000 0.819 143 A HN 0.387 nan 8.150 nan 0.000 0.442 144 A N -0.510 122.327 122.820 0.029 0.000 1.877 144 A HA -0.009 4.311 4.320 0.001 0.000 0.216 144 A C 2.245 179.874 177.584 0.075 0.000 1.186 144 A CA 1.827 53.898 52.037 0.057 0.000 0.620 144 A CB -1.031 18.003 19.000 0.055 0.000 0.822 144 A HN 0.379 nan 8.150 nan 0.000 0.443 145 V N 0.941 120.893 119.914 0.063 0.000 2.295 145 V HA -0.252 3.869 4.120 0.001 0.000 0.246 145 V C 2.049 178.182 176.094 0.064 0.000 1.049 145 V CA 2.350 64.693 62.300 0.071 0.000 1.024 145 V CB -0.855 31.002 31.823 0.056 0.000 0.648 145 V HN 0.528 nan 8.190 nan 0.000 0.447 146 D N 0.377 120.807 120.400 0.050 0.000 2.263 146 D HA -0.074 4.566 4.640 0.001 0.000 0.208 146 D C 2.011 178.337 176.300 0.043 0.000 0.971 146 D CA 1.386 55.413 54.000 0.045 0.000 0.867 146 D CB -0.178 40.646 40.800 0.041 0.000 0.929 146 D HN 0.490 nan 8.370 nan 0.000 0.492 147 A N 0.546 123.394 122.820 0.046 0.000 2.123 147 A HA -0.057 4.263 4.320 0.001 0.000 0.214 147 A C 1.028 178.621 177.584 0.014 0.000 1.152 147 A CA 0.098 52.154 52.037 0.033 0.000 0.728 147 A CB -0.215 18.806 19.000 0.036 0.000 0.814 147 A HN 0.049 nan 8.150 nan 0.000 0.464 148 K N 1.067 121.491 120.400 0.040 0.000 2.466 148 K HA 0.069 4.390 4.320 0.001 0.000 0.278 148 K C 1.056 177.658 176.600 0.004 0.000 1.048 148 K CA 0.786 57.095 56.287 0.036 0.000 1.088 148 K CB 0.395 32.961 32.500 0.111 0.000 0.884 148 K HN 0.493 nan 8.250 nan 0.000 0.478 149 T N -1.715 112.813 114.554 -0.044 0.000 3.044 149 T HA -0.009 4.341 4.350 0.001 0.000 0.250 149 T C 0.193 174.885 174.700 -0.014 0.000 1.081 149 T CA -0.116 61.963 62.100 -0.035 0.000 1.040 149 T CB 0.234 69.064 68.868 -0.063 0.000 0.962 149 T HN 0.414 nan 8.240 nan 0.000 0.506 150 D N 2.105 122.507 120.400 0.003 0.000 2.471 150 D HA 0.309 4.949 4.640 0.001 0.000 0.245 150 D C -1.756 174.602 176.300 0.097 0.000 1.116 150 D CA -2.524 51.504 54.000 0.047 0.000 0.853 150 D CB 2.508 43.344 40.800 0.060 0.000 1.123 150 D HN -0.093 nan 8.370 nan 0.000 0.540 151 P HA -0.112 nan 4.420 nan 0.000 0.219 151 P C 0.454 177.814 177.300 0.101 0.000 1.146 151 P CA 0.836 63.985 63.100 0.081 0.000 0.808 151 P CB 0.593 32.325 31.700 0.054 0.000 0.779 152 D N -1.308 119.154 120.400 0.103 0.000 2.349 152 D HA 0.005 4.645 4.640 0.001 0.000 0.224 152 D C 0.549 176.935 176.300 0.144 0.000 1.029 152 D CA 0.004 54.066 54.000 0.102 0.000 0.879 152 D CB -0.395 40.447 40.800 0.070 0.000 0.906 152 D HN 0.160 nan 8.370 nan 0.000 0.528 153 F N 1.644 121.606 119.950 0.020 0.000 2.518 153 F HA 0.066 4.594 4.527 0.001 0.000 0.359 153 F C 0.099 175.906 175.800 0.012 0.000 1.118 153 F CA -0.427 57.578 58.000 0.008 0.000 1.287 153 F CB 0.724 39.725 39.000 0.002 0.000 1.132 153 F HN -0.379 nan 8.300 nan 0.000 0.587 154 V N 7.340 126.865 119.914 -0.647 0.000 2.407 154 V HA 0.249 4.369 4.120 0.001 0.000 0.278 154 V C 0.044 175.884 176.094 -0.424 0.000 1.037 154 V CA -0.771 61.286 62.300 -0.405 0.000 0.900 154 V CB 1.187 32.820 31.823 -0.318 0.000 0.983 154 V HN 0.420 nan 8.190 nan 0.000 0.459 155 I N 5.922 126.417 120.570 -0.125 0.000 2.306 155 I HA 0.383 4.553 4.170 0.001 0.000 0.288 155 I C -0.040 176.078 176.117 0.000 0.000 1.036 155 I CA -0.029 61.251 61.300 -0.032 0.000 1.221 155 I CB 1.163 39.196 38.000 0.054 0.000 1.385 155 I HN 0.645 nan 8.210 nan 0.000 0.472 156 M N 5.864 125.475 119.600 0.017 0.000 2.238 156 M HA 0.655 5.135 4.480 0.001 0.000 0.350 156 M C -0.544 175.825 176.300 0.115 0.000 1.138 156 M CA -0.454 54.898 55.300 0.086 0.000 1.040 156 M CB 1.651 34.326 32.600 0.124 0.000 1.639 156 M HN 0.621 nan 8.290 nan 0.000 0.451 157 A N 5.417 128.302 122.820 0.108 0.000 2.292 157 A HA 0.631 4.952 4.320 0.001 0.000 0.319 157 A C -0.706 176.934 177.584 0.093 0.000 1.206 157 A CA -0.737 51.341 52.037 0.068 0.000 0.835 157 A CB 0.693 19.738 19.000 0.075 0.000 1.164 157 A HN 0.966 nan 8.150 nan 0.000 0.505 158 R N 1.427 121.917 120.500 -0.017 0.000 2.562 158 R HA 0.608 4.948 4.340 0.001 0.000 0.298 158 R C -1.013 175.222 176.300 -0.107 0.000 0.961 158 R CA -0.103 55.888 56.100 -0.181 0.000 0.881 158 R CB 1.606 31.545 30.300 -0.601 0.000 1.159 158 R HN 0.641 nan 8.270 nan 0.000 0.450 159 T N 1.362 115.871 114.554 -0.075 0.000 2.807 159 T HA 0.250 4.600 4.350 0.001 0.000 0.279 159 T C -0.370 174.272 174.700 -0.096 0.000 0.993 159 T CA -0.643 61.478 62.100 0.034 0.000 0.970 159 T CB 1.236 70.197 68.868 0.153 0.000 0.950 159 T HN 0.673 nan 8.240 nan 0.000 0.441 160 D N 3.443 123.802 120.400 -0.069 0.000 2.402 160 D HA 0.225 4.866 4.640 0.001 0.000 0.216 160 D C 1.581 177.855 176.300 -0.043 0.000 1.128 160 D CA 0.011 53.954 54.000 -0.094 0.000 0.833 160 D CB 0.683 41.423 40.800 -0.099 0.000 0.971 160 D HN 0.664 nan 8.370 nan 0.000 0.503 161 A N 0.642 123.460 122.820 -0.003 0.000 2.119 161 A HA -0.097 4.223 4.320 0.001 0.000 0.217 161 A C 2.040 179.632 177.584 0.013 0.000 1.153 161 A CA 0.404 52.449 52.037 0.013 0.000 0.692 161 A CB -0.178 18.842 19.000 0.033 0.000 0.799 161 A HN 0.229 nan 8.150 nan 0.000 0.458 162 L N 0.081 121.314 121.223 0.017 0.000 1.971 162 L HA -0.163 4.178 4.340 0.001 0.000 0.215 162 L C 2.594 179.463 176.870 -0.001 0.000 1.072 162 L CA 2.521 57.377 54.840 0.026 0.000 0.758 162 L CB -0.775 41.299 42.059 0.026 0.000 0.889 162 L HN 0.314 nan 8.230 nan 0.000 0.433 163 A N -1.808 120.999 122.820 -0.022 0.000 2.067 163 A HA -0.037 4.284 4.320 0.001 0.000 0.219 163 A C 2.097 179.673 177.584 -0.014 0.000 1.158 163 A CA 1.641 53.664 52.037 -0.023 0.000 0.661 163 A CB -0.665 18.311 19.000 -0.039 0.000 0.801 163 A HN 0.371 nan 8.150 nan 0.000 0.452 164 V N -0.695 119.212 119.914 -0.012 0.000 2.492 164 V HA -0.048 4.072 4.120 0.001 0.000 0.241 164 V C 1.815 177.906 176.094 -0.005 0.000 1.041 164 V CA 1.712 64.007 62.300 -0.008 0.000 1.057 164 V CB -0.417 31.402 31.823 -0.007 0.000 0.711 164 V HN 0.628 nan 8.190 nan 0.000 0.468 165 E N -0.338 119.860 120.200 -0.002 0.000 2.562 165 E HA 0.458 4.808 4.350 0.001 0.000 0.214 165 E C 0.827 177.422 176.600 -0.007 0.000 0.979 165 E CA 0.538 56.936 56.400 -0.004 0.000 1.002 165 E CB 1.232 30.930 29.700 -0.004 0.000 1.048 165 E HN 0.544 nan 8.360 nan 0.000 0.488 166 G N 1.312 110.110 108.800 -0.003 0.000 2.663 166 G HA2 -0.230 3.731 3.960 0.001 0.000 0.686 166 G HA3 -0.230 3.731 3.960 0.001 0.000 0.686 166 G C 0.086 174.983 174.900 -0.004 0.000 1.288 166 G CA -0.334 44.762 45.100 -0.006 0.000 0.836 166 G HN 0.069 nan 8.290 nan 0.000 0.584 167 L N 0.244 121.457 121.223 -0.016 0.000 1.970 167 L HA 0.044 4.384 4.340 0.001 0.000 0.212 167 L C 2.538 179.349 176.870 -0.098 0.000 1.071 167 L CA 3.204 58.021 54.840 -0.039 0.000 0.751 167 L CB -0.768 41.252 42.059 -0.064 0.000 0.889 167 L HN 0.681 nan 8.230 nan 0.000 0.432 168 D N -0.102 120.241 120.400 -0.095 0.000 2.116 168 D HA -0.215 4.426 4.640 0.001 0.000 0.193 168 D C 2.174 178.415 176.300 -0.097 0.000 0.998 168 D CA 1.707 55.641 54.000 -0.110 0.000 0.836 168 D CB -0.395 40.357 40.800 -0.080 0.000 0.951 168 D HN 0.525 nan 8.370 nan 0.000 0.449 169 A N 0.858 123.640 122.820 -0.062 0.000 1.902 169 A HA -0.017 4.304 4.320 0.001 0.000 0.217 169 A C 2.314 179.869 177.584 -0.049 0.000 1.181 169 A CA 2.251 54.258 52.037 -0.051 0.000 0.623 169 A CB -0.747 18.235 19.000 -0.029 0.000 0.818 169 A HN 0.243 nan 8.150 nan 0.000 0.443 170 A N -0.066 122.750 122.820 -0.007 0.000 1.902 170 A HA -0.073 4.247 4.320 0.001 0.000 0.217 170 A C 2.113 179.748 177.584 0.084 0.000 1.181 170 A CA 1.511 53.597 52.037 0.082 0.000 0.623 170 A CB -0.587 18.557 19.000 0.240 0.000 0.818 170 A HN 0.497 nan 8.150 nan 0.000 0.443 171 I N -0.638 119.859 120.570 -0.121 0.000 2.315 171 I HA -0.243 3.927 4.170 0.001 0.000 0.248 171 I C 2.553 178.578 176.117 -0.153 0.000 1.117 171 I CA 1.720 62.847 61.300 -0.288 0.000 1.404 171 I CB -0.313 37.388 38.000 -0.500 0.000 1.071 171 I HN 0.564 nan 8.210 nan 0.000 0.419 172 E N 1.358 121.474 120.200 -0.140 0.000 2.077 172 E HA -0.242 4.108 4.350 0.001 0.000 0.193 172 E C 2.356 178.846 176.600 -0.183 0.000 0.989 172 E CA 1.174 57.497 56.400 -0.127 0.000 0.800 172 E CB 0.078 29.719 29.700 -0.098 0.000 0.746 172 E HN 0.373 nan 8.360 nan 0.000 0.452 173 R N -0.034 120.313 120.500 -0.255 0.000 2.075 173 R HA -0.073 4.267 4.340 0.001 0.000 0.232 173 R C 2.464 178.218 176.300 -0.911 0.000 1.126 173 R CA 1.124 56.874 56.100 -0.585 0.000 0.963 173 R CB -0.308 29.669 30.300 -0.539 0.000 0.858 173 R HN 0.192 nan 8.270 nan 0.000 0.435 174 A N 1.156 123.723 122.820 -0.422 0.000 1.908 174 A HA -0.251 4.069 4.320 0.001 0.000 0.218 174 A C 2.047 179.587 177.584 -0.074 0.000 1.181 174 A CA 1.407 53.352 52.037 -0.155 0.000 0.627 174 A CB -0.451 18.688 19.000 0.231 0.000 0.818 174 A HN 0.357 nan 8.150 nan 0.000 0.445 175 Q N -0.720 119.033 119.800 -0.079 0.000 2.050 175 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 175 Q C 2.438 178.431 176.000 -0.011 0.000 0.980 175 Q CA 1.480 57.267 55.803 -0.027 0.000 0.840 175 Q CB -0.403 28.309 28.738 -0.044 0.000 0.898 175 Q HN 0.690 nan 8.270 nan 0.000 0.424 176 A N 0.271 123.054 122.820 -0.063 0.000 1.930 176 A HA -0.182 4.138 4.320 0.001 0.000 0.217 176 A C 1.714 179.406 177.584 0.181 0.000 1.175 176 A CA 1.141 53.194 52.037 0.028 0.000 0.627 176 A CB -0.662 18.344 19.000 0.009 0.000 0.815 176 A HN 0.337 nan 8.150 nan 0.000 0.443 177 Y N -0.110 120.214 120.300 0.040 0.000 2.145 177 Y HA -0.131 4.420 4.550 0.001 0.000 0.286 177 Y C 2.681 178.607 175.900 0.043 0.000 1.145 177 Y CA 0.709 58.832 58.100 0.039 0.000 1.148 177 Y CB -1.261 37.225 38.460 0.044 0.000 0.981 177 Y HN 0.107 nan 8.280 nan 0.000 0.507 178 V N 0.050 120.091 119.914 0.211 0.000 2.358 178 V HA -0.234 3.887 4.120 0.001 0.000 0.246 178 V C 2.071 178.226 176.094 0.102 0.000 1.047 178 V CA 1.762 64.144 62.300 0.137 0.000 1.035 178 V CB -0.595 31.295 31.823 0.112 0.000 0.658 178 V HN 0.318 nan 8.190 nan 0.000 0.452 179 E N 0.496 120.751 120.200 0.091 0.000 2.118 179 E HA -0.194 4.157 4.350 0.001 0.000 0.195 179 E C 2.086 178.729 176.600 0.071 0.000 0.992 179 E CA 1.337 57.778 56.400 0.068 0.000 0.804 179 E CB -0.310 29.423 29.700 0.055 0.000 0.741 179 E HN 0.600 nan 8.360 nan 0.000 0.458 180 A N -0.341 122.534 122.820 0.093 0.000 2.235 180 A HA 0.220 4.540 4.320 0.001 0.000 0.208 180 A C 1.659 179.281 177.584 0.065 0.000 1.172 180 A CA 0.980 53.063 52.037 0.077 0.000 0.786 180 A CB -0.152 18.901 19.000 0.088 0.000 0.804 180 A HN 0.371 nan 8.150 nan 0.000 0.479 181 G N -2.367 106.476 108.800 0.071 0.000 2.229 181 G HA2 0.170 4.130 3.960 0.001 0.000 0.189 181 G HA3 0.170 4.130 3.960 0.001 0.000 0.189 181 G C 0.442 175.383 174.900 0.068 0.000 1.000 181 G CA -0.035 45.102 45.100 0.062 0.000 0.663 181 G HN 1.515 nan 8.290 nan 0.000 0.493 182 A N 0.520 123.390 122.820 0.082 0.000 2.546 182 A HA 0.535 4.856 4.320 0.001 0.000 0.243 182 A C 1.088 178.722 177.584 0.083 0.000 1.063 182 A CA 1.324 53.411 52.037 0.084 0.000 0.757 182 A CB 0.126 19.199 19.000 0.120 0.000 0.991 182 A HN 0.527 nan 8.150 nan 0.000 0.503 183 E N 1.549 121.791 120.200 0.070 0.000 2.340 183 E HA 0.116 4.466 4.350 0.001 0.000 0.194 183 E C 0.019 176.665 176.600 0.075 0.000 0.996 183 E CA 0.647 57.086 56.400 0.066 0.000 0.869 183 E CB 0.154 29.886 29.700 0.052 0.000 0.835 183 E HN 0.806 nan 8.360 nan 0.000 0.493 184 M N 0.617 120.267 119.600 0.084 0.000 2.575 184 M HA 0.401 4.882 4.480 0.001 0.000 0.284 184 M C -1.628 174.740 176.300 0.112 0.000 1.253 184 M CA -0.997 54.359 55.300 0.094 0.000 0.861 184 M CB 2.798 35.458 32.600 0.100 0.000 1.733 184 M HN -0.085 nan 8.290 nan 0.000 0.462 185 L N 1.563 122.853 121.223 0.113 0.000 2.365 185 L HA 0.653 4.994 4.340 0.001 0.000 0.273 185 L C -1.797 175.153 176.870 0.134 0.000 1.000 185 L CA -0.264 54.656 54.840 0.132 0.000 0.819 185 L CB 1.685 43.825 42.059 0.134 0.000 1.284 185 L HN 0.604 nan 8.230 nan 0.000 0.418 186 F N 7.582 127.492 119.950 -0.068 0.000 2.363 186 F HA 0.581 5.108 4.527 0.001 0.000 0.366 186 F C -2.456 173.231 175.800 -0.187 0.000 1.083 186 F CA -3.188 54.732 58.000 -0.134 0.000 1.176 186 F CB 0.649 39.534 39.000 -0.192 0.000 1.432 186 F HN 0.299 nan 8.300 nan 0.000 0.482 187 P HA 0.116 nan 4.420 nan 0.000 0.284 187 P C -0.413 176.888 177.300 0.002 0.000 1.343 187 P CA -0.030 62.882 63.100 -0.314 0.000 0.826 187 P CB 1.108 32.132 31.700 -1.128 0.000 0.956 188 E N 4.375 124.542 120.200 -0.055 0.000 2.383 188 E HA 0.350 4.701 4.350 0.001 0.000 0.264 188 E C 0.417 176.973 176.600 -0.074 0.000 1.050 188 E CA -0.100 56.303 56.400 0.005 0.000 0.896 188 E CB -0.006 29.536 29.700 -0.265 0.000 0.982 188 E HN 0.539 nan 8.360 nan 0.000 0.424 189 A N 4.501 127.275 122.820 -0.076 0.000 2.640 189 A HA -0.173 4.147 4.320 0.001 0.000 0.300 189 A C 0.112 177.654 177.584 -0.070 0.000 1.499 189 A CA 0.491 52.381 52.037 -0.246 0.000 0.759 189 A CB -1.909 16.724 19.000 -0.612 0.000 1.048 189 A HN 0.435 nan 8.150 nan 0.000 0.450 190 I N 1.030 121.589 120.570 -0.018 0.000 2.556 190 I HA 0.072 4.242 4.170 0.001 0.000 0.284 190 I C 1.911 178.036 176.117 0.015 0.000 1.114 190 I CA 1.248 62.471 61.300 -0.129 0.000 1.418 190 I CB 0.775 38.414 38.000 -0.602 0.000 1.394 190 I HN 0.707 nan 8.210 nan 0.000 0.552 191 T N 2.250 116.814 114.554 0.017 0.000 3.040 191 T HA 0.196 4.547 4.350 0.001 0.000 0.252 191 T C 0.538 175.329 174.700 0.153 0.000 1.064 191 T CA -0.000 62.148 62.100 0.081 0.000 1.110 191 T CB 0.226 69.122 68.868 0.045 0.000 0.921 191 T HN 0.573 nan 8.240 nan 0.000 0.480 192 E N 0.522 120.781 120.200 0.097 0.000 2.222 192 E HA 0.429 4.779 4.350 0.001 0.000 0.267 192 E C 0.415 177.029 176.600 0.023 0.000 0.884 192 E CA -0.549 55.926 56.400 0.124 0.000 0.764 192 E CB 2.418 32.146 29.700 0.046 0.000 1.169 192 E HN -0.044 nan 8.360 nan 0.000 0.413 193 L N 1.940 123.152 121.223 -0.017 0.000 2.081 193 L HA -0.267 4.073 4.340 0.001 0.000 0.212 193 L C 2.108 178.906 176.870 -0.120 0.000 1.080 193 L CA 1.921 56.580 54.840 -0.303 0.000 0.754 193 L CB -0.311 41.483 42.059 -0.442 0.000 0.893 193 L HN 0.760 nan 8.230 nan 0.000 0.433 194 A N -0.401 122.372 122.820 -0.079 0.000 1.978 194 A HA -0.269 4.052 4.320 0.001 0.000 0.220 194 A C 2.165 179.716 177.584 -0.055 0.000 1.170 194 A CA 1.862 53.860 52.037 -0.065 0.000 0.636 194 A CB -0.422 18.547 19.000 -0.052 0.000 0.810 194 A HN 0.502 nan 8.150 nan 0.000 0.448 195 M N -2.092 117.465 119.600 -0.072 0.000 2.159 195 M HA -0.165 4.316 4.480 0.001 0.000 0.263 195 M C 2.068 178.422 176.300 0.089 0.000 1.063 195 M CA 1.521 56.799 55.300 -0.036 0.000 1.110 195 M CB -0.612 31.957 32.600 -0.052 0.000 1.374 195 M HN 0.499 nan 8.290 nan 0.000 0.411 196 Y N 0.342 120.703 120.300 0.102 0.000 2.165 196 Y HA -0.267 4.283 4.550 0.001 0.000 0.286 196 Y C 2.686 178.631 175.900 0.075 0.000 1.155 196 Y CA 1.806 59.966 58.100 0.100 0.000 1.164 196 Y CB -0.798 37.646 38.460 -0.026 0.000 0.978 196 Y HN 0.189 nan 8.280 nan 0.000 0.513 197 R N 0.833 121.405 120.500 0.120 0.000 2.083 197 R HA -0.187 4.153 4.340 0.001 0.000 0.237 197 R C 1.961 178.258 176.300 -0.005 0.000 1.137 197 R CA 1.991 58.069 56.100 -0.038 0.000 0.951 197 R CB -0.690 29.502 30.300 -0.179 0.000 0.851 197 R HN 0.446 nan 8.270 nan 0.000 0.434 198 Q N -1.142 118.647 119.800 -0.019 0.000 2.084 198 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 198 Q C 1.998 177.942 176.000 -0.094 0.000 0.978 198 Q CA 1.798 57.545 55.803 -0.092 0.000 0.844 198 Q CB -0.203 28.427 28.738 -0.180 0.000 0.898 198 Q HN 0.308 nan 8.270 nan 0.000 0.426 199 F N 0.405 120.358 119.950 0.005 0.000 2.113 199 F HA -0.183 4.344 4.527 0.001 0.000 0.297 199 F C 2.401 178.230 175.800 0.048 0.000 1.103 199 F CA 1.158 59.175 58.000 0.027 0.000 1.248 199 F CB -0.601 38.434 39.000 0.058 0.000 0.999 199 F HN 0.060 nan 8.300 nan 0.000 0.475 200 A N -0.135 122.842 122.820 0.262 0.000 1.883 200 A HA -0.217 4.104 4.320 0.001 0.000 0.217 200 A C 2.014 179.681 177.584 0.139 0.000 1.186 200 A CA 2.174 54.326 52.037 0.192 0.000 0.624 200 A CB -0.889 18.233 19.000 0.203 0.000 0.822 200 A HN 0.300 nan 8.150 nan 0.000 0.444 201 D N -0.102 120.361 120.400 0.105 0.000 2.117 201 D HA -0.042 4.599 4.640 0.001 0.000 0.197 201 D C 2.238 178.561 176.300 0.039 0.000 0.987 201 D CA 1.498 55.540 54.000 0.070 0.000 0.829 201 D CB -0.409 40.409 40.800 0.030 0.000 0.961 201 D HN 0.427 nan 8.370 nan 0.000 0.460 202 A N 0.535 123.364 122.820 0.015 0.000 1.930 202 A HA -0.111 4.210 4.320 0.001 0.000 0.217 202 A C 2.327 179.929 177.584 0.030 0.000 1.175 202 A CA 1.980 54.012 52.037 -0.008 0.000 0.627 202 A CB -0.331 18.623 19.000 -0.076 0.000 0.815 202 A HN 0.253 nan 8.150 nan 0.000 0.443 203 V N -5.368 114.591 119.914 0.075 0.000 3.523 203 V HA 0.117 4.237 4.120 0.001 0.000 0.255 203 V C 0.692 176.830 176.094 0.073 0.000 1.226 203 V CA 0.671 63.021 62.300 0.083 0.000 1.092 203 V CB -0.192 31.706 31.823 0.125 0.000 0.817 203 V HN 0.469 nan 8.190 nan 0.000 0.458 204 Q N 0.322 120.166 119.800 0.074 0.000 2.481 204 Q HA -0.170 4.171 4.340 0.001 0.000 0.258 204 Q C 0.113 176.146 176.000 0.056 0.000 0.961 204 Q CA 1.277 57.115 55.803 0.058 0.000 1.121 204 Q CB -2.497 26.267 28.738 0.043 0.000 1.503 204 Q HN 1.153 nan 8.270 nan 0.000 0.544 205 V N -4.582 115.374 119.914 0.070 0.000 3.074 205 V HA 0.800 4.921 4.120 0.001 0.000 0.314 205 V C -2.464 173.669 176.094 0.064 0.000 1.117 205 V CA -2.697 59.641 62.300 0.064 0.000 1.014 205 V CB 1.752 33.620 31.823 0.075 0.000 1.057 205 V HN -0.196 nan 8.190 nan 0.000 0.438 206 P HA 0.333 nan 4.420 nan 0.000 0.264 206 P C -0.377 176.949 177.300 0.044 0.000 1.193 206 P CA 0.277 63.399 63.100 0.035 0.000 0.763 206 P CB 0.150 31.866 31.700 0.028 0.000 0.810 207 I N 1.075 121.661 120.570 0.026 0.000 2.562 207 I HA 0.628 4.798 4.170 0.001 0.000 0.301 207 I C -0.985 175.085 176.117 -0.078 0.000 1.003 207 I CA -1.278 60.032 61.300 0.018 0.000 1.127 207 I CB 1.922 39.969 38.000 0.079 0.000 1.304 207 I HN 0.157 nan 8.210 nan 0.000 0.446 208 L N 5.712 126.855 121.223 -0.133 0.000 2.329 208 L HA 0.875 5.216 4.340 0.001 0.000 0.279 208 L C -0.400 176.246 176.870 -0.374 0.000 1.014 208 L CA -0.443 54.215 54.840 -0.303 0.000 0.814 208 L CB 1.516 43.317 42.059 -0.429 0.000 1.257 208 L HN 0.914 nan 8.230 nan 0.000 0.424 209 A N 3.224 125.764 122.820 -0.465 0.000 2.288 209 A HA 0.408 4.728 4.320 0.001 0.000 0.320 209 A C -0.745 176.611 177.584 -0.379 0.000 1.217 209 A CA -0.623 51.153 52.037 -0.436 0.000 0.840 209 A CB 0.621 19.142 19.000 -0.798 0.000 1.179 209 A HN 0.714 nan 8.150 nan 0.000 0.504 210 N N 3.148 121.729 118.700 -0.198 0.000 2.602 210 N HA 0.162 4.903 4.740 0.001 0.000 0.238 210 N C -0.489 174.992 175.510 -0.049 0.000 1.084 210 N CA -0.500 52.438 53.050 -0.187 0.000 0.952 210 N CB 0.071 38.611 38.487 0.088 0.000 1.244 210 N HN 0.428 nan 8.380 nan 0.000 0.512 211 I N 2.402 122.861 120.570 -0.185 0.000 2.191 211 I HA 0.086 4.256 4.170 0.001 0.000 0.289 211 I C 1.022 177.112 176.117 -0.046 0.000 1.141 211 I CA -0.079 61.173 61.300 -0.080 0.000 1.430 211 I CB -1.297 36.660 38.000 -0.072 0.000 1.497 211 I HN 0.333 nan 8.210 nan 0.000 0.636 212 T N 2.916 117.413 114.554 -0.094 0.000 2.928 212 T HA 0.375 4.726 4.350 0.001 0.000 0.284 212 T C 0.259 174.857 174.700 -0.171 0.000 1.008 212 T CA -0.320 61.718 62.100 -0.102 0.000 1.057 212 T CB 1.322 70.106 68.868 -0.141 0.000 1.018 212 T HN 0.391 nan 8.240 nan 0.000 0.493 213 E N 1.684 121.795 120.200 -0.149 0.000 2.349 213 E HA 0.417 4.768 4.350 0.001 0.000 0.262 213 E C -0.076 176.384 176.600 -0.233 0.000 1.088 213 E CA -0.284 55.894 56.400 -0.370 0.000 0.899 213 E CB -0.014 29.322 29.700 -0.606 0.000 1.044 213 E HN 0.640 nan 8.360 nan 0.000 0.420 214 F N -0.797 119.126 119.950 -0.046 0.000 3.091 214 F HA -0.197 4.331 4.527 0.001 0.000 0.288 214 F C 0.736 176.522 175.800 -0.023 0.000 0.907 214 F CA 0.922 58.907 58.000 -0.025 0.000 1.028 214 F CB -1.788 37.207 39.000 -0.008 0.000 1.022 214 F HN 0.488 nan 8.300 nan 0.000 0.665 215 G N -0.806 108.016 108.800 0.035 0.000 3.257 215 G HA2 0.709 4.669 3.960 0.001 0.000 0.205 215 G HA3 0.709 4.669 3.960 0.001 0.000 0.205 215 G C 0.594 175.630 174.900 0.226 0.000 1.234 215 G CA -0.191 44.977 45.100 0.112 0.000 0.918 215 G HN 0.455 nan 8.290 nan 0.000 0.602 216 A N -1.084 122.029 122.820 0.487 0.000 2.178 216 A HA 0.422 4.743 4.320 0.001 0.000 0.211 216 A C 1.010 178.691 177.584 0.162 0.000 1.157 216 A CA 0.870 53.044 52.037 0.227 0.000 0.780 216 A CB -0.167 18.905 19.000 0.119 0.000 0.828 216 A HN 0.419 nan 8.150 nan 0.000 0.476 217 T N 2.425 117.104 114.554 0.209 0.000 2.795 217 T HA 0.489 4.840 4.350 0.001 0.000 0.282 217 T C -2.640 171.972 174.700 -0.147 0.000 0.980 217 T CA -0.994 61.163 62.100 0.096 0.000 1.012 217 T CB 1.480 70.496 68.868 0.247 0.000 0.936 217 T HN 0.043 nan 8.240 nan 0.000 0.457 218 P HA 0.151 nan 4.420 nan 0.000 0.271 218 P C -0.320 176.558 177.300 -0.702 0.000 1.233 218 P CA -0.424 62.297 63.100 -0.632 0.000 0.789 218 P CB 0.449 31.569 31.700 -0.966 0.000 0.951 219 L N 2.003 122.967 121.223 -0.432 0.000 2.391 219 L HA 0.191 4.531 4.340 0.001 0.000 0.249 219 L C -0.024 176.757 176.870 -0.149 0.000 1.308 219 L CA -0.397 54.303 54.840 -0.233 0.000 1.209 219 L CB -1.138 40.836 42.059 -0.142 0.000 1.401 219 L HN 0.245 nan 8.230 nan 0.000 0.416 220 F N 0.485 120.468 119.950 0.055 0.000 2.518 220 F HA 0.105 4.632 4.527 0.001 0.000 0.359 220 F C 1.522 177.354 175.800 0.054 0.000 1.118 220 F CA -0.613 57.419 58.000 0.052 0.000 1.287 220 F CB 0.417 39.453 39.000 0.059 0.000 1.132 220 F HN 0.297 nan 8.300 nan 0.000 0.587 221 T N -2.368 112.338 114.554 0.253 0.000 2.847 221 T HA 0.231 4.581 4.350 0.001 0.000 0.279 221 T C 1.302 176.079 174.700 0.129 0.000 0.984 221 T CA -0.052 62.140 62.100 0.154 0.000 0.988 221 T CB 1.110 70.040 68.868 0.102 0.000 1.040 221 T HN 0.714 nan 8.240 nan 0.000 0.528 222 T N -1.346 113.271 114.554 0.104 0.000 2.833 222 T HA -0.120 4.230 4.350 0.001 0.000 0.269 222 T C 1.288 176.007 174.700 0.033 0.000 1.054 222 T CA 1.240 63.382 62.100 0.070 0.000 1.135 222 T CB -0.598 68.313 68.868 0.072 0.000 0.869 222 T HN 0.600 nan 8.240 nan 0.000 0.466 223 D N 1.650 122.072 120.400 0.036 0.000 2.097 223 D HA -0.059 4.581 4.640 0.001 0.000 0.195 223 D C 2.300 178.608 176.300 0.013 0.000 0.989 223 D CA 1.252 55.265 54.000 0.022 0.000 0.827 223 D CB -0.271 40.544 40.800 0.025 0.000 0.966 223 D HN 0.625 nan 8.370 nan 0.000 0.456 224 E N 0.206 120.422 120.200 0.026 0.000 2.077 224 E HA -0.114 4.237 4.350 0.001 0.000 0.193 224 E C 2.381 178.932 176.600 -0.081 0.000 0.989 224 E CA 0.480 56.874 56.400 -0.010 0.000 0.800 224 E CB -0.105 29.621 29.700 0.044 0.000 0.746 224 E HN 0.256 nan 8.360 nan 0.000 0.452 225 L N 0.555 121.732 121.223 -0.076 0.000 2.131 225 L HA -0.156 4.184 4.340 0.001 0.000 0.210 225 L C 2.712 179.529 176.870 -0.089 0.000 1.092 225 L CA 0.954 55.704 54.840 -0.150 0.000 0.759 225 L CB -0.337 41.626 42.059 -0.159 0.000 0.903 225 L HN 0.064 nan 8.230 nan 0.000 0.435 226 R N 0.326 120.803 120.500 -0.039 0.000 2.096 226 R HA -0.171 4.169 4.340 0.001 0.000 0.235 226 R C 2.547 178.871 176.300 0.039 0.000 1.127 226 R CA 1.682 57.778 56.100 -0.007 0.000 0.968 226 R CB -0.140 30.158 30.300 -0.004 0.000 0.861 226 R HN 0.453 nan 8.270 nan 0.000 0.440 227 S N -0.570 115.141 115.700 0.018 0.000 2.447 227 S HA -0.015 4.456 4.470 0.001 0.000 0.233 227 S C 1.642 176.254 174.600 0.020 0.000 1.006 227 S CA 0.796 59.017 58.200 0.035 0.000 0.957 227 S CB 0.215 63.413 63.200 -0.004 0.000 0.773 227 S HN 0.395 nan 8.310 nan 0.000 0.507 228 A N 0.208 123.016 122.820 -0.020 0.000 2.379 228 A HA 0.356 4.676 4.320 0.001 0.000 0.236 228 A C 0.499 178.093 177.584 0.017 0.000 1.272 228 A CA -0.032 51.960 52.037 -0.075 0.000 0.886 228 A CB -0.927 18.037 19.000 -0.061 0.000 0.962 228 A HN 0.755 nan 8.150 nan 0.000 0.504 229 H N -2.266 116.785 119.070 -0.032 0.000 2.992 229 H HA -0.137 4.420 4.556 0.001 0.000 0.266 229 H C -0.349 174.952 175.328 -0.044 0.000 1.200 229 H CA -0.010 56.023 56.048 -0.025 0.000 1.135 229 H CB -1.938 27.825 29.762 0.003 0.000 1.282 229 H HN 0.275 nan 8.280 nan 0.000 0.351 230 V N 0.728 120.649 119.914 0.011 0.000 2.572 230 V HA 0.175 4.295 4.120 0.001 0.000 0.291 230 V C 1.398 177.437 176.094 -0.092 0.000 1.039 230 V CA 1.067 63.304 62.300 -0.106 0.000 1.055 230 V CB 1.434 33.080 31.823 -0.296 0.000 0.969 230 V HN 0.531 nan 8.190 nan 0.000 0.482 231 A N 5.493 128.260 122.820 -0.089 0.000 2.030 231 A HA 0.365 4.686 4.320 0.001 0.000 0.215 231 A C 0.791 178.307 177.584 -0.113 0.000 1.164 231 A CA 0.690 52.677 52.037 -0.084 0.000 0.697 231 A CB 0.067 19.033 19.000 -0.056 0.000 0.827 231 A HN 0.704 nan 8.150 nan 0.000 0.457 232 M N -1.073 118.436 119.600 -0.151 0.000 2.433 232 M HA 0.579 5.060 4.480 0.001 0.000 0.290 232 M C -1.144 174.996 176.300 -0.266 0.000 1.173 232 M CA -0.275 54.921 55.300 -0.173 0.000 0.905 232 M CB 2.582 35.096 32.600 -0.144 0.000 1.692 232 M HN 0.082 nan 8.290 nan 0.000 0.462 233 A N 2.930 125.585 122.820 -0.276 0.000 2.291 233 A HA 0.789 5.109 4.320 0.001 0.000 0.311 233 A C -1.539 175.618 177.584 -0.712 0.000 1.224 233 A CA -0.564 51.199 52.037 -0.457 0.000 0.821 233 A CB 0.737 19.560 19.000 -0.295 0.000 1.172 233 A HN 0.784 nan 8.150 nan 0.000 0.494 234 L N 2.695 123.446 121.223 -0.786 0.000 2.295 234 L HA 0.686 5.027 4.340 0.001 0.000 0.285 234 L C -1.463 174.921 176.870 -0.810 0.000 1.035 234 L CA -0.178 54.226 54.840 -0.728 0.000 0.806 234 L CB 0.756 42.409 42.059 -0.678 0.000 1.214 234 L HN 0.587 nan 8.230 nan 0.000 0.426 235 Y N 6.306 126.523 120.300 -0.138 0.000 2.748 235 Y HA 0.364 4.915 4.550 0.001 0.000 0.359 235 Y C -1.754 174.135 175.900 -0.019 0.000 1.030 235 Y CA -1.871 56.185 58.100 -0.072 0.000 1.169 235 Y CB 0.169 38.592 38.460 -0.061 0.000 1.127 235 Y HN 0.557 nan 8.280 nan 0.000 0.644 236 P HA -0.180 nan 4.420 nan 0.000 0.216 236 P C 0.668 178.129 177.300 0.268 0.000 1.153 236 P CA 1.706 64.950 63.100 0.240 0.000 0.858 236 P CB 0.794 32.640 31.700 0.243 0.000 0.789 237 L N -1.840 119.523 121.223 0.233 0.000 3.259 237 L HA 0.214 4.554 4.340 0.001 0.000 0.292 237 L C 2.123 179.166 176.870 0.289 0.000 1.219 237 L CA 0.002 55.014 54.840 0.286 0.000 1.035 237 L CB -0.015 42.249 42.059 0.342 0.000 1.424 237 L HN -0.191 nan 8.230 nan 0.000 0.603 238 S N 1.362 117.182 115.700 0.201 0.000 2.368 238 S HA -0.300 4.171 4.470 0.001 0.000 0.226 238 S C 2.242 176.921 174.600 0.132 0.000 1.044 238 S CA 1.936 60.219 58.200 0.138 0.000 1.062 238 S CB -0.226 63.023 63.200 0.080 0.000 0.931 238 S HN 0.544 nan 8.310 nan 0.000 0.440 239 A N 1.073 123.976 122.820 0.137 0.000 1.898 239 A HA -0.034 4.286 4.320 0.001 0.000 0.216 239 A C 1.915 179.632 177.584 0.221 0.000 1.181 239 A CA 1.480 53.590 52.037 0.122 0.000 0.620 239 A CB -0.896 18.153 19.000 0.082 0.000 0.819 239 A HN 0.460 nan 8.150 nan 0.000 0.442 240 F N 1.180 121.206 119.950 0.126 0.000 2.095 240 F HA -0.214 4.314 4.527 0.001 0.000 0.298 240 F C 2.364 178.224 175.800 0.101 0.000 1.104 240 F CA 1.984 60.061 58.000 0.127 0.000 1.232 240 F CB -0.362 38.706 39.000 0.113 0.000 0.987 240 F HN 0.148 nan 8.300 nan 0.000 0.475 241 R N 0.186 120.711 120.500 0.041 0.000 2.091 241 R HA -0.134 4.207 4.340 0.001 0.000 0.238 241 R C 2.418 178.676 176.300 -0.070 0.000 1.136 241 R CA 1.358 57.406 56.100 -0.086 0.000 0.959 241 R CB -0.999 29.357 30.300 0.095 0.000 0.856 241 R HN 0.418 nan 8.270 nan 0.000 0.437 242 A N 1.911 124.732 122.820 0.001 0.000 1.929 242 A HA -0.138 4.183 4.320 0.001 0.000 0.216 242 A C 2.254 179.826 177.584 -0.020 0.000 1.176 242 A CA 1.291 53.324 52.037 -0.006 0.000 0.628 242 A CB -0.480 18.525 19.000 0.008 0.000 0.816 242 A HN 0.427 nan 8.150 nan 0.000 0.444 243 M N -0.514 119.091 119.600 0.008 0.000 2.159 243 M HA -0.149 4.332 4.480 0.001 0.000 0.263 243 M C 1.323 177.590 176.300 -0.054 0.000 1.063 243 M CA 2.302 57.621 55.300 0.032 0.000 1.110 243 M CB -0.644 32.067 32.600 0.185 0.000 1.374 243 M HN 0.214 nan 8.290 nan 0.000 0.411 244 N N 1.096 119.698 118.700 -0.164 0.000 2.142 244 N HA -0.143 4.597 4.740 0.001 0.000 0.186 244 N C 1.882 177.324 175.510 -0.113 0.000 1.023 244 N CA 1.724 54.657 53.050 -0.196 0.000 0.852 244 N CB -0.547 37.713 38.487 -0.378 0.000 0.998 244 N HN 0.467 nan 8.380 nan 0.000 0.424 245 R N 0.937 121.381 120.500 -0.094 0.000 2.081 245 R HA 0.045 4.385 4.340 0.001 0.000 0.235 245 R C 1.955 178.237 176.300 -0.030 0.000 1.131 245 R CA 1.462 57.529 56.100 -0.056 0.000 0.960 245 R CB -0.455 29.814 30.300 -0.051 0.000 0.856 245 R HN 0.183 nan 8.270 nan 0.000 0.436 246 A N 0.319 123.117 122.820 -0.035 0.000 1.902 246 A HA -0.044 4.276 4.320 0.001 0.000 0.217 246 A C 2.371 179.919 177.584 -0.060 0.000 1.181 246 A CA 1.642 53.670 52.037 -0.014 0.000 0.623 246 A CB -0.991 17.999 19.000 -0.017 0.000 0.818 246 A HN 0.516 nan 8.150 nan 0.000 0.443 247 A N -0.372 122.370 122.820 -0.131 0.000 1.902 247 A HA -0.178 4.143 4.320 0.001 0.000 0.217 247 A C 2.043 179.392 177.584 -0.393 0.000 1.181 247 A CA 1.775 53.620 52.037 -0.321 0.000 0.623 247 A CB -0.558 18.274 19.000 -0.279 0.000 0.818 247 A HN 0.670 nan 8.150 nan 0.000 0.443 248 E N -1.014 119.112 120.200 -0.122 0.000 2.077 248 E HA -0.279 4.072 4.350 0.001 0.000 0.193 248 E C 1.932 178.571 176.600 0.066 0.000 0.989 248 E CA 1.240 57.660 56.400 0.034 0.000 0.800 248 E CB -0.362 29.370 29.700 0.052 0.000 0.746 248 E HN 0.851 nan 8.360 nan 0.000 0.452 249 H N -0.273 118.758 119.070 -0.065 0.000 2.353 249 H HA -0.100 4.458 4.556 0.002 0.000 0.300 249 H C 2.103 177.405 175.328 -0.044 0.000 1.090 249 H CA 1.467 57.491 56.048 -0.041 0.000 1.327 249 H CB 0.286 30.020 29.762 -0.047 0.000 1.383 249 H HN 0.109 nan 8.280 nan 0.000 0.508 250 V N 0.821 120.631 119.914 -0.174 0.000 2.343 250 V HA -0.280 3.840 4.120 0.001 0.000 0.247 250 V C 2.246 178.281 176.094 -0.098 0.000 1.051 250 V CA 1.714 63.879 62.300 -0.225 0.000 1.036 250 V CB -0.827 30.847 31.823 -0.248 0.000 0.654 250 V HN 0.434 nan 8.190 nan 0.000 0.451 251 Y N 0.974 121.244 120.300 -0.050 0.000 2.145 251 Y HA -0.166 4.384 4.550 0.000 0.000 0.286 251 Y C 2.592 178.465 175.900 -0.045 0.000 1.145 251 Y CA 1.140 59.218 58.100 -0.038 0.000 1.148 251 Y CB -1.026 37.424 38.460 -0.017 0.000 0.981 251 Y HN 0.324 nan 8.280 nan 0.000 0.507 252 N N -0.201 118.573 118.700 0.123 0.000 2.084 252 N HA -0.138 4.602 4.740 0.001 0.000 0.190 252 N C 2.075 177.584 175.510 -0.003 0.000 1.030 252 N CA 1.468 54.552 53.050 0.057 0.000 0.849 252 N CB -0.698 37.830 38.487 0.068 0.000 1.012 252 N HN 0.172 nan 8.380 nan 0.000 0.423 253 V N 1.781 121.642 119.914 -0.088 0.000 2.343 253 V HA -0.150 3.971 4.120 0.001 0.000 0.247 253 V C 2.468 178.527 176.094 -0.058 0.000 1.051 253 V CA 1.086 63.316 62.300 -0.117 0.000 1.036 253 V CB -0.480 31.182 31.823 -0.269 0.000 0.654 253 V HN 0.239 nan 8.190 nan 0.000 0.451 254 L N -0.529 120.673 121.223 -0.035 0.000 2.083 254 L HA -0.181 4.159 4.340 0.001 0.000 0.209 254 L C 2.748 179.620 176.870 0.004 0.000 1.083 254 L CA 1.463 56.300 54.840 -0.005 0.000 0.752 254 L CB -0.271 41.807 42.059 0.032 0.000 0.899 254 L HN 0.255 nan 8.230 nan 0.000 0.433 255 R N -0.203 120.305 120.500 0.013 0.000 2.090 255 R HA -0.121 4.220 4.340 0.001 0.000 0.228 255 R C 2.193 178.493 176.300 -0.000 0.000 1.110 255 R CA 1.461 57.565 56.100 0.006 0.000 0.973 255 R CB -0.164 30.141 30.300 0.008 0.000 0.869 255 R HN 0.404 nan 8.270 nan 0.000 0.440 256 Q N -0.469 119.330 119.800 -0.001 0.000 2.062 256 Q HA -0.050 4.291 4.340 0.001 0.000 0.196 256 Q C 1.442 177.439 176.000 -0.005 0.000 0.967 256 Q CA 1.230 57.032 55.803 -0.002 0.000 0.832 256 Q CB 0.122 28.860 28.738 0.000 0.000 0.899 256 Q HN 0.228 nan 8.270 nan 0.000 0.442 257 E N -0.730 119.463 120.200 -0.011 0.000 2.385 257 E HA 0.043 4.393 4.350 0.001 0.000 0.194 257 E C 1.114 177.708 176.600 -0.009 0.000 1.013 257 E CA 0.788 57.181 56.400 -0.011 0.000 0.866 257 E CB 0.494 30.182 29.700 -0.019 0.000 0.832 257 E HN 0.485 nan 8.360 nan 0.000 0.500 258 G N 1.347 110.142 108.800 -0.008 0.000 2.148 258 G HA2 -0.264 3.697 3.960 0.001 0.000 0.254 258 G HA3 -0.264 3.697 3.960 0.001 0.000 0.254 258 G C 0.378 175.274 174.900 -0.007 0.000 0.981 258 G CA 0.988 46.084 45.100 -0.006 0.000 0.670 258 G HN 0.434 nan 8.290 nan 0.000 0.528 259 T N -1.343 113.205 114.554 -0.011 0.000 2.893 259 T HA 0.482 4.832 4.350 0.001 0.000 0.337 259 T C 0.449 175.136 174.700 -0.022 0.000 1.587 259 T CA 0.552 62.644 62.100 -0.013 0.000 1.066 259 T CB 1.306 70.166 68.868 -0.012 0.000 1.414 259 T HN 0.550 nan 8.240 nan 0.000 0.488 260 Q N 2.513 122.299 119.800 -0.024 0.000 2.247 260 Q HA 0.216 4.557 4.340 0.001 0.000 0.204 260 Q C 1.011 176.989 176.000 -0.037 0.000 0.872 260 Q CA -0.019 55.762 55.803 -0.038 0.000 0.951 260 Q CB -0.013 28.704 28.738 -0.034 0.000 1.099 260 Q HN 0.743 nan 8.270 nan 0.000 0.501 261 K N 1.514 121.898 120.400 -0.027 0.000 2.089 261 K HA -0.183 4.138 4.320 0.001 0.000 0.210 261 K C 2.133 178.720 176.600 -0.022 0.000 1.048 261 K CA 2.184 58.458 56.287 -0.021 0.000 0.926 261 K CB -0.208 32.283 32.500 -0.015 0.000 0.714 261 K HN 0.423 nan 8.250 nan 0.000 0.448 262 S N 0.363 116.047 115.700 -0.026 0.000 2.555 262 S HA -0.037 4.433 4.470 0.001 0.000 0.230 262 S C 1.604 176.192 174.600 -0.019 0.000 0.978 262 S CA 0.769 58.958 58.200 -0.019 0.000 0.934 262 S CB -0.148 63.042 63.200 -0.016 0.000 0.766 262 S HN 0.190 nan 8.310 nan 0.000 0.533 263 V N -2.354 117.534 119.914 -0.043 0.000 3.276 263 V HA 0.432 4.553 4.120 0.001 0.000 0.319 263 V C 1.586 177.666 176.094 -0.024 0.000 1.427 263 V CA -0.431 61.847 62.300 -0.037 0.000 1.102 263 V CB -0.693 31.056 31.823 -0.124 0.000 1.020 263 V HN 0.246 nan 8.190 nan 0.000 0.456 264 I N 3.450 124.005 120.570 -0.023 0.000 2.264 264 I HA -0.182 3.988 4.170 0.001 0.000 0.248 264 I C 2.366 178.474 176.117 -0.015 0.000 1.111 264 I CA 2.413 63.700 61.300 -0.023 0.000 1.382 264 I CB -0.859 37.128 38.000 -0.021 0.000 1.060 264 I HN 0.615 nan 8.210 nan 0.000 0.418 265 D N -0.243 120.154 120.400 -0.005 0.000 2.392 265 D HA -0.140 4.500 4.640 0.001 0.000 0.228 265 D C 1.602 177.904 176.300 0.003 0.000 1.003 265 D CA 1.187 55.187 54.000 -0.001 0.000 0.917 265 D CB -0.751 40.051 40.800 0.004 0.000 0.890 265 D HN 0.419 nan 8.370 nan 0.000 0.532 266 T N -3.640 110.919 114.554 0.009 0.000 3.069 266 T HA 0.250 4.600 4.350 0.001 0.000 0.252 266 T C 0.782 175.481 174.700 -0.002 0.000 1.053 266 T CA -0.528 61.581 62.100 0.015 0.000 0.964 266 T CB -0.220 68.679 68.868 0.051 0.000 1.005 266 T HN -0.007 nan 8.240 nan 0.000 0.532 267 M N 2.279 121.871 119.600 -0.014 0.000 2.277 267 M HA 0.339 4.820 4.480 0.001 0.000 0.350 267 M C 0.123 176.407 176.300 -0.027 0.000 1.180 267 M CA -0.650 54.636 55.300 -0.025 0.000 1.103 267 M CB 1.723 34.302 32.600 -0.035 0.000 1.577 267 M HN 0.185 nan 8.290 nan 0.000 0.459 268 Q N 2.464 122.247 119.800 -0.028 0.000 2.311 268 Q HA 0.096 4.437 4.340 0.001 0.000 0.272 268 Q C -0.322 175.646 176.000 -0.054 0.000 1.012 268 Q CA -0.105 55.679 55.803 -0.031 0.000 0.891 268 Q CB 0.822 29.547 28.738 -0.021 0.000 1.201 268 Q HN 0.789 nan 8.270 nan 0.000 0.391 269 T N 0.930 115.449 114.554 -0.059 0.000 2.788 269 T HA 0.138 4.489 4.350 0.001 0.000 0.287 269 T C 0.995 175.600 174.700 -0.158 0.000 1.007 269 T CA -0.437 61.610 62.100 -0.088 0.000 1.005 269 T CB 1.138 69.968 68.868 -0.064 0.000 1.012 269 T HN 0.859 nan 8.240 nan 0.000 0.530 270 R N 0.695 121.056 120.500 -0.233 0.000 2.083 270 R HA -0.175 4.165 4.340 0.001 0.000 0.237 270 R C 2.416 178.390 176.300 -0.544 0.000 1.137 270 R CA 1.850 57.661 56.100 -0.482 0.000 0.951 270 R CB -0.506 29.487 30.300 -0.511 0.000 0.851 270 R HN 0.872 nan 8.270 nan 0.000 0.434 271 N N 0.367 118.927 118.700 -0.233 0.000 2.166 271 N HA -0.199 4.542 4.740 0.001 0.000 0.186 271 N C 1.221 176.747 175.510 0.026 0.000 1.019 271 N CA 1.475 54.519 53.050 -0.010 0.000 0.856 271 N CB 0.037 38.585 38.487 0.101 0.000 0.993 271 N HN 0.414 nan 8.380 nan 0.000 0.426 272 E N 0.428 120.616 120.200 -0.021 0.000 2.077 272 E HA -0.191 4.160 4.350 0.001 0.000 0.193 272 E C 2.041 178.648 176.600 0.013 0.000 0.989 272 E CA 0.754 57.162 56.400 0.013 0.000 0.800 272 E CB -0.107 29.590 29.700 -0.005 0.000 0.746 272 E HN 0.264 nan 8.360 nan 0.000 0.452 273 L N 0.380 121.571 121.223 -0.054 0.000 2.017 273 L HA -0.189 4.152 4.340 0.001 0.000 0.208 273 L C 2.069 178.996 176.870 0.094 0.000 1.073 273 L CA 1.714 56.544 54.840 -0.016 0.000 0.745 273 L CB -0.564 41.434 42.059 -0.101 0.000 0.894 273 L HN 0.085 nan 8.230 nan 0.000 0.432 274 Y N 0.641 120.864 120.300 -0.127 0.000 2.181 274 Y HA -0.196 4.355 4.550 0.000 0.000 0.288 274 Y C 2.699 178.532 175.900 -0.112 0.000 1.146 274 Y CA 1.457 59.419 58.100 -0.230 0.000 1.164 274 Y CB -0.876 37.245 38.460 -0.565 0.000 0.982 274 Y HN 0.412 nan 8.280 nan 0.000 0.515 275 E N -0.889 119.419 120.200 0.179 0.000 2.153 275 E HA -0.171 4.180 4.350 0.001 0.000 0.194 275 E C 2.438 179.123 176.600 0.141 0.000 0.988 275 E CA 1.159 57.678 56.400 0.198 0.000 0.811 275 E CB -0.157 29.666 29.700 0.204 0.000 0.746 275 E HN 0.207 nan 8.360 nan 0.000 0.466 276 S N 0.777 116.547 115.700 0.117 0.000 2.402 276 S HA -0.099 4.372 4.470 0.001 0.000 0.229 276 S C 1.798 176.459 174.600 0.102 0.000 1.021 276 S CA 0.948 59.208 58.200 0.100 0.000 0.974 276 S CB -0.114 63.137 63.200 0.085 0.000 0.800 276 S HN 0.412 nan 8.310 nan 0.000 0.484 277 I N -1.908 118.727 120.570 0.109 0.000 3.914 277 I HA 0.452 4.622 4.170 0.001 0.000 0.333 277 I C 0.291 176.473 176.117 0.109 0.000 1.449 277 I CA -0.116 61.240 61.300 0.093 0.000 1.135 277 I CB -0.442 37.600 38.000 0.069 0.000 1.073 277 I HN 0.114 nan 8.210 nan 0.000 0.401 278 N N 1.337 120.117 118.700 0.133 0.000 2.735 278 N HA -0.337 4.403 4.740 0.001 0.000 0.248 278 N C 0.512 176.120 175.510 0.164 0.000 1.083 278 N CA 0.917 54.066 53.050 0.165 0.000 0.703 278 N CB -1.830 36.774 38.487 0.196 0.000 1.005 278 N HN 0.733 nan 8.380 nan 0.000 0.550 279 Y N -0.168 120.054 120.300 -0.130 0.000 2.207 279 Y HA -0.258 4.293 4.550 0.001 0.000 0.287 279 Y C 1.629 177.377 175.900 -0.253 0.000 1.156 279 Y CA 2.223 60.118 58.100 -0.342 0.000 1.182 279 Y CB -0.412 37.543 38.460 -0.841 0.000 0.979 279 Y HN 0.477 nan 8.280 nan 0.000 0.521 280 Y N -0.249 120.116 120.300 0.108 0.000 2.293 280 Y HA -0.268 4.282 4.550 0.000 0.000 0.291 280 Y C 2.802 178.683 175.900 -0.032 0.000 1.137 280 Y CA 1.316 59.443 58.100 0.045 0.000 1.202 280 Y CB -0.465 38.065 38.460 0.116 0.000 0.990 280 Y HN 0.213 nan 8.280 nan 0.000 0.537 281 Q N -0.251 119.619 119.800 0.115 0.000 2.084 281 Q HA -0.226 4.114 4.340 0.001 0.000 0.202 281 Q C 1.597 177.521 176.000 -0.126 0.000 0.978 281 Q CA 1.847 57.639 55.803 -0.018 0.000 0.844 281 Q CB -0.251 28.437 28.738 -0.084 0.000 0.898 281 Q HN 0.570 nan 8.270 nan 0.000 0.426 282 Y N 0.529 120.709 120.300 -0.201 0.000 2.184 282 Y HA -0.136 4.415 4.550 0.001 0.000 0.290 282 Y C 2.308 178.039 175.900 -0.281 0.000 1.129 282 Y CA 1.461 59.411 58.100 -0.250 0.000 1.144 282 Y CB -0.251 38.010 38.460 -0.332 0.000 0.995 282 Y HN 0.214 nan 8.280 nan 0.000 0.513 283 E N 0.443 120.488 120.200 -0.258 0.000 2.118 283 E HA -0.281 4.069 4.350 0.001 0.000 0.195 283 E C 2.144 178.712 176.600 -0.054 0.000 0.992 283 E CA 1.258 57.534 56.400 -0.207 0.000 0.804 283 E CB -0.053 29.515 29.700 -0.220 0.000 0.741 283 E HN 0.562 nan 8.360 nan 0.000 0.458 284 E N 0.599 120.786 120.200 -0.021 0.000 2.058 284 E HA -0.247 4.104 4.350 0.001 0.000 0.194 284 E C 1.887 178.472 176.600 -0.025 0.000 0.997 284 E CA 1.357 57.756 56.400 -0.003 0.000 0.801 284 E CB 0.104 29.808 29.700 0.006 0.000 0.746 284 E HN 0.133 nan 8.360 nan 0.000 0.450 285 K N 0.222 120.592 120.400 -0.051 0.000 2.057 285 K HA -0.129 4.192 4.320 0.001 0.000 0.207 285 K C 2.329 178.909 176.600 -0.034 0.000 1.049 285 K CA 1.091 57.345 56.287 -0.055 0.000 0.931 285 K CB -0.126 32.319 32.500 -0.092 0.000 0.714 285 K HN 0.239 nan 8.250 nan 0.000 0.440 286 L N 1.134 122.339 121.223 -0.030 0.000 2.056 286 L HA -0.193 4.147 4.340 0.001 0.000 0.207 286 L C 1.535 178.401 176.870 -0.008 0.000 1.078 286 L CA 1.165 55.995 54.840 -0.017 0.000 0.749 286 L CB -0.306 41.741 42.059 -0.019 0.000 0.901 286 L HN 0.195 nan 8.230 nan 0.000 0.433 287 D N -0.233 120.165 120.400 -0.004 0.000 2.371 287 D HA -0.022 4.619 4.640 0.001 0.000 0.221 287 D C 0.568 176.870 176.300 0.002 0.000 0.986 287 D CA 0.538 54.542 54.000 0.006 0.000 0.899 287 D CB 0.046 40.857 40.800 0.018 0.000 0.902 287 D HN 0.359 nan 8.370 nan 0.000 0.530 288 N N 0.000 118.697 118.700 -0.005 0.000 1.763 288 N HA 0.000 4.741 4.740 0.001 0.000 0.220 288 N CA 0.000 53.046 53.050 -0.007 0.000 0.885 288 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 288 N HN 0.000 nan 8.380 nan 0.000 0.667