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 2vou_1_A DATA FIRST_RESID 2 DATA SEQUENCE SPTTDRIAVV GGSISGLTAA LMLRDAGVDV DVYERSPQPL SGFGTGIVVQ DATA SEQUENCE PELVHYLLEQ GVELDSISVP SSSMEYVDAL TGERVGSVPA DWRFTSYDSI DATA SEQUENCE YGGLYELFGP ERYHTSKCLV GLSQDSETVQ MRFSDGTKAE ANWVIGADGG DATA SEQUENCE ASVVRKRLLG IEPTYAGYVT WRGVLQPGEV ADDVWNYFND KFTYGLLDDG DATA SEQUENCE HLIAYPIPGR ENAESPRLNF QWYWNVAEGP DLDELMTDVR GIRLPTSVHN DATA SEQUENCE NSLNPHNLRQ FHSKGESLFK PFRDLVLNAS SPFVTVVADA TVDRMVHGRV DATA SEQUENCE LLIGDAAVTP RPHAAAGGAK ASDDARTLAE VFTKNHDLRG SLQSWETRQL DATA SEQUENCE QQGHAYLNKV KKMASRLQHG GSFEPGNPAF AFGLPKVDEP SVV 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.617 174.600 0.028 0.000 1.055 2 S CA 0.000 58.210 58.200 0.017 0.000 1.107 2 S CB 0.000 63.212 63.200 0.021 0.000 0.593 3 P HA 0.075 nan 4.420 nan 0.000 0.270 3 P C 0.264 177.600 177.300 0.061 0.000 1.227 3 P CA -0.015 63.114 63.100 0.049 0.000 0.788 3 P CB 0.188 31.915 31.700 0.045 0.000 0.926 4 T N 0.077 114.681 114.554 0.085 0.000 2.939 4 T HA 0.039 4.389 4.350 -0.000 0.000 0.319 4 T C 1.423 176.169 174.700 0.076 0.000 1.082 4 T CA 0.807 62.968 62.100 0.102 0.000 1.133 4 T CB -0.334 68.624 68.868 0.149 0.000 1.019 4 T HN 0.632 nan 8.240 nan 0.000 0.548 5 T N 0.886 115.490 114.554 0.084 0.000 3.107 5 T HA 0.188 4.538 4.350 -0.000 0.000 0.249 5 T C 0.319 175.066 174.700 0.079 0.000 1.096 5 T CA -0.449 61.691 62.100 0.067 0.000 1.012 5 T CB 0.023 68.926 68.868 0.059 0.000 0.977 5 T HN 0.491 nan 8.240 nan 0.000 0.527 6 D N 2.239 122.709 120.400 0.117 0.000 2.368 6 D HA 0.229 4.869 4.640 -0.000 0.000 0.240 6 D C 0.127 176.484 176.300 0.096 0.000 1.169 6 D CA -0.169 53.921 54.000 0.150 0.000 0.906 6 D CB 0.683 41.683 40.800 0.334 0.000 1.187 6 D HN 0.289 nan 8.370 nan 0.000 0.435 7 R N 1.461 122.016 120.500 0.093 0.000 2.265 7 R HA 0.482 4.822 4.340 -0.000 0.000 0.319 7 R C -0.680 175.667 176.300 0.079 0.000 1.006 7 R CA -0.446 55.693 56.100 0.066 0.000 0.880 7 R CB 0.364 30.698 30.300 0.056 0.000 1.077 7 R HN 0.394 nan 8.270 nan 0.000 0.454 8 I N 3.324 123.916 120.570 0.037 0.000 2.433 8 I HA 0.441 4.610 4.170 -0.000 0.000 0.292 8 I C -0.302 175.867 176.117 0.086 0.000 1.001 8 I CA -0.850 60.459 61.300 0.016 0.000 1.119 8 I CB 2.084 39.970 38.000 -0.189 0.000 1.289 8 I HN 0.665 nan 8.210 nan 0.000 0.438 9 A N 6.083 128.987 122.820 0.139 0.000 2.337 9 A HA 0.836 5.155 4.320 -0.000 0.000 0.329 9 A C -0.910 176.798 177.584 0.206 0.000 1.146 9 A CA -0.515 51.674 52.037 0.254 0.000 0.800 9 A CB 1.522 20.711 19.000 0.315 0.000 1.220 9 A HN 0.434 nan 8.150 nan 0.000 0.472 10 V N 2.660 122.710 119.914 0.225 0.000 2.444 10 V HA 0.396 4.516 4.120 -0.000 0.000 0.294 10 V C -0.517 175.708 176.094 0.219 0.000 1.022 10 V CA -0.521 61.870 62.300 0.150 0.000 0.850 10 V CB 1.583 33.431 31.823 0.042 0.000 0.992 10 V HN 0.644 nan 8.190 nan 0.000 0.426 11 V N 3.899 123.933 119.914 0.199 0.000 2.347 11 V HA 0.898 5.018 4.120 -0.000 0.000 0.280 11 V C 0.550 176.726 176.094 0.137 0.000 1.021 11 V CA 0.292 62.723 62.300 0.218 0.000 0.847 11 V CB 0.944 32.875 31.823 0.180 0.000 0.990 11 V HN 1.297 nan 8.190 nan 0.000 0.444 12 G N 3.555 112.418 108.800 0.106 0.000 3.434 12 G HA2 0.205 4.165 3.960 -0.000 0.000 0.686 12 G HA3 0.205 4.165 3.960 -0.000 0.000 0.686 12 G C 0.047 174.975 174.900 0.048 0.000 1.099 12 G CA -0.447 44.699 45.100 0.077 0.000 0.931 12 G HN 1.300 nan 8.290 nan 0.000 0.520 13 G N 0.492 109.328 108.800 0.060 0.000 4.433 13 G HA2 0.619 4.579 3.960 -0.000 0.000 0.304 13 G HA3 0.619 4.579 3.960 -0.000 0.000 0.304 13 G C 0.524 175.663 174.900 0.398 0.000 1.254 13 G CA 1.248 46.435 45.100 0.145 0.000 0.999 13 G HN 1.169 nan 8.290 nan 0.000 0.576 14 S N -0.763 115.109 115.700 0.287 0.000 2.816 14 S HA 0.446 4.915 4.470 -0.000 0.000 0.253 14 S C 1.906 176.651 174.600 0.240 0.000 1.055 14 S CA -0.657 57.761 58.200 0.364 0.000 1.032 14 S CB 0.353 63.739 63.200 0.310 0.000 1.270 14 S HN 0.075 nan 8.310 nan 0.000 0.587 15 I N 1.783 122.470 120.570 0.195 0.000 2.151 15 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 15 I C 2.538 178.694 176.117 0.065 0.000 1.080 15 I CA 1.868 63.224 61.300 0.094 0.000 1.339 15 I CB -0.507 37.540 38.000 0.078 0.000 1.039 15 I HN 0.589 nan 8.210 nan 0.000 0.409 16 S N 0.689 116.439 115.700 0.084 0.000 2.362 16 S HA -0.018 4.452 4.470 -0.000 0.000 0.221 16 S C 2.220 176.840 174.600 0.034 0.000 1.032 16 S CA 0.699 58.936 58.200 0.062 0.000 0.973 16 S CB -1.319 61.933 63.200 0.086 0.000 0.849 16 S HN 0.498 nan 8.310 nan 0.000 0.465 17 G N 2.458 111.286 108.800 0.047 0.000 2.529 17 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.219 17 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.219 17 G C 1.424 176.271 174.900 -0.088 0.000 1.177 17 G CA 1.180 46.283 45.100 0.004 0.000 0.773 17 G HN 0.463 nan 8.290 nan 0.000 0.573 18 L N 0.179 121.350 121.223 -0.087 0.000 2.056 18 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 18 L C 3.252 179.965 176.870 -0.261 0.000 1.078 18 L CA 1.473 56.172 54.840 -0.234 0.000 0.749 18 L CB -0.661 41.295 42.059 -0.171 0.000 0.901 18 L HN 0.186 nan 8.230 nan 0.000 0.433 19 T N -0.038 114.403 114.554 -0.189 0.000 2.635 19 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 19 T C 2.001 176.577 174.700 -0.207 0.000 1.040 19 T CA 1.533 63.487 62.100 -0.243 0.000 1.156 19 T CB -0.364 68.442 68.868 -0.104 0.000 0.863 19 T HN 0.461 nan 8.240 nan 0.000 0.430 20 A N 1.690 124.447 122.820 -0.106 0.000 1.851 20 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 20 A C 2.708 180.241 177.584 -0.084 0.000 1.195 20 A CA 2.259 54.259 52.037 -0.062 0.000 0.622 20 A CB -1.408 17.580 19.000 -0.020 0.000 0.831 20 A HN 0.531 nan 8.150 nan 0.000 0.444 21 A N -0.473 122.270 122.820 -0.130 0.000 1.892 21 A HA -0.149 4.170 4.320 -0.000 0.000 0.218 21 A C 2.240 179.851 177.584 0.046 0.000 1.188 21 A CA 1.781 53.765 52.037 -0.088 0.000 0.631 21 A CB -0.774 18.012 19.000 -0.356 0.000 0.822 21 A HN 0.499 nan 8.150 nan 0.000 0.447 22 L N -1.211 119.979 121.223 -0.055 0.000 2.012 22 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 22 L C 2.967 179.840 176.870 0.006 0.000 1.073 22 L CA 1.861 56.700 54.840 -0.001 0.000 0.748 22 L CB -0.425 41.416 42.059 -0.363 0.000 0.891 22 L HN 0.449 nan 8.230 nan 0.000 0.431 23 M N -0.966 118.587 119.600 -0.078 0.000 2.175 23 M HA -0.197 4.282 4.480 -0.000 0.000 0.264 23 M C 2.288 178.626 176.300 0.063 0.000 1.063 23 M CA 1.627 56.957 55.300 0.049 0.000 1.119 23 M CB -0.372 32.251 32.600 0.037 0.000 1.377 23 M HN 0.249 nan 8.290 nan 0.000 0.415 24 L N -0.568 120.678 121.223 0.038 0.000 2.027 24 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 24 L C 2.736 179.638 176.870 0.052 0.000 1.074 24 L CA 1.248 56.110 54.840 0.037 0.000 0.745 24 L CB -0.685 41.373 42.059 -0.001 0.000 0.898 24 L HN 0.289 nan 8.230 nan 0.000 0.433 25 R N 0.391 120.941 120.500 0.082 0.000 2.083 25 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 25 R C 1.925 178.257 176.300 0.054 0.000 1.137 25 R CA 2.151 58.293 56.100 0.071 0.000 0.951 25 R CB -0.260 30.093 30.300 0.088 0.000 0.851 25 R HN 0.307 nan 8.270 nan 0.000 0.434 26 D N 0.170 120.619 120.400 0.081 0.000 2.149 26 D HA -0.186 4.454 4.640 -0.000 0.000 0.194 26 D C 1.400 177.735 176.300 0.058 0.000 1.001 26 D CA 1.744 55.793 54.000 0.081 0.000 0.849 26 D CB -0.218 40.663 40.800 0.134 0.000 0.939 26 D HN 0.429 nan 8.370 nan 0.000 0.449 27 A N -0.876 121.980 122.820 0.059 0.000 2.238 27 A HA 0.436 4.756 4.320 -0.000 0.000 0.208 27 A C 1.819 179.424 177.584 0.035 0.000 1.177 27 A CA 1.123 53.189 52.037 0.048 0.000 0.804 27 A CB -0.201 18.832 19.000 0.054 0.000 0.823 27 A HN 0.284 nan 8.150 nan 0.000 0.482 28 G N -1.715 107.103 108.800 0.029 0.000 2.195 28 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 28 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 28 G C 0.262 175.175 174.900 0.022 0.000 0.984 28 G CA 0.107 45.220 45.100 0.021 0.000 0.633 28 G HN 0.752 nan 8.290 nan 0.000 0.525 29 V N 1.425 121.353 119.914 0.023 0.000 2.637 29 V HA 0.404 4.524 4.120 -0.000 0.000 0.296 29 V C 0.609 176.711 176.094 0.014 0.000 1.046 29 V CA 0.208 62.514 62.300 0.010 0.000 1.066 29 V CB 1.599 33.412 31.823 -0.016 0.000 0.968 29 V HN 0.405 nan 8.190 nan 0.000 0.483 30 D N 3.918 124.327 120.400 0.015 0.000 2.325 30 D HA 0.410 5.050 4.640 -0.000 0.000 0.251 30 D C -0.659 175.664 176.300 0.037 0.000 1.196 30 D CA 0.284 54.302 54.000 0.029 0.000 0.866 30 D CB 1.293 42.113 40.800 0.034 0.000 1.101 30 D HN 0.352 nan 8.370 nan 0.000 0.476 31 V N 3.776 123.729 119.914 0.065 0.000 2.971 31 V HA 0.504 4.624 4.120 -0.000 0.000 0.309 31 V C -1.617 174.558 176.094 0.136 0.000 1.130 31 V CA -0.673 61.678 62.300 0.085 0.000 0.964 31 V CB 2.378 34.243 31.823 0.070 0.000 1.029 31 V HN 0.616 nan 8.190 nan 0.000 0.427 32 D N 2.866 123.339 120.400 0.122 0.000 2.671 32 D HA 0.558 5.198 4.640 -0.000 0.000 0.232 32 D C -1.325 174.929 176.300 -0.076 0.000 1.114 32 D CA -0.179 53.859 54.000 0.062 0.000 0.858 32 D CB 2.647 43.447 40.800 -0.001 0.000 1.544 32 D HN 0.380 nan 8.370 nan 0.000 0.471 33 V N 2.026 121.828 119.914 -0.188 0.000 2.459 33 V HA 0.333 4.453 4.120 -0.000 0.000 0.295 33 V C -1.084 174.702 176.094 -0.514 0.000 1.029 33 V CA -0.621 61.511 62.300 -0.282 0.000 0.874 33 V CB 1.112 32.733 31.823 -0.337 0.000 0.985 33 V HN 0.410 nan 8.190 nan 0.000 0.438 34 Y N 2.540 122.825 120.300 -0.027 0.000 2.328 34 Y HA 0.648 5.198 4.550 -0.000 0.000 0.333 34 Y C 0.070 175.897 175.900 -0.123 0.000 0.958 34 Y CA -0.707 57.345 58.100 -0.079 0.000 1.167 34 Y CB 1.659 40.128 38.460 0.014 0.000 1.151 34 Y HN 0.669 nan 8.280 nan 0.000 0.470 35 E N 3.022 123.148 120.200 -0.122 0.000 2.210 35 E HA 0.335 4.685 4.350 -0.000 0.000 0.266 35 E C 0.836 177.422 176.600 -0.024 0.000 0.883 35 E CA -0.929 55.405 56.400 -0.109 0.000 0.761 35 E CB 1.019 30.541 29.700 -0.297 0.000 1.156 35 E HN 0.650 nan 8.360 nan 0.000 0.412 36 R N 2.720 123.239 120.500 0.031 0.000 2.127 36 R HA -0.014 4.326 4.340 -0.000 0.000 0.238 36 R C 0.528 176.840 176.300 0.020 0.000 1.134 36 R CA 1.046 57.171 56.100 0.041 0.000 0.975 36 R CB -0.255 30.078 30.300 0.055 0.000 0.865 36 R HN 0.333 nan 8.270 nan 0.000 0.447 37 S N 1.251 116.962 115.700 0.017 0.000 2.549 37 S HA 0.130 4.600 4.470 -0.000 0.000 0.283 37 S C -1.766 172.845 174.600 0.018 0.000 1.320 37 S CA -1.613 56.594 58.200 0.013 0.000 1.058 37 S CB 1.386 64.593 63.200 0.011 0.000 0.882 37 S HN 0.149 nan 8.310 nan 0.000 0.498 38 P HA 0.030 nan 4.420 nan 0.000 0.220 38 P C -0.493 176.817 177.300 0.017 0.000 1.152 38 P CA 0.897 64.003 63.100 0.010 0.000 0.812 38 P CB 0.233 31.932 31.700 -0.001 0.000 0.792 39 Q N -1.181 118.619 119.800 0.001 0.000 2.359 39 Q HA 0.475 4.815 4.340 -0.000 0.000 0.275 39 Q C -2.546 173.444 176.000 -0.018 0.000 1.082 39 Q CA -2.527 53.267 55.803 -0.014 0.000 0.849 39 Q CB -0.599 28.111 28.738 -0.048 0.000 1.377 39 Q HN -0.139 nan 8.270 nan 0.000 0.452 40 P HA -0.086 nan 4.420 nan 0.000 0.269 40 P C -0.820 176.407 177.300 -0.121 0.000 1.205 40 P CA -0.066 62.931 63.100 -0.172 0.000 0.780 40 P CB 0.434 31.787 31.700 -0.580 0.000 0.858 41 L N 0.978 122.071 121.223 -0.218 0.000 2.490 41 L HA 0.407 4.747 4.340 -0.000 0.000 0.245 41 L C 0.427 177.067 176.870 -0.383 0.000 1.185 41 L CA 0.836 55.388 54.840 -0.480 0.000 0.813 41 L CB 0.454 41.919 42.059 -0.991 0.000 1.233 41 L HN 0.300 nan 8.230 nan 0.000 0.489 42 S N -0.868 114.608 115.700 -0.372 0.000 2.603 42 S HA 0.624 5.093 4.470 -0.000 0.000 0.274 42 S C -0.419 173.951 174.600 -0.383 0.000 1.168 42 S CA -0.723 57.259 58.200 -0.364 0.000 0.963 42 S CB 1.602 64.469 63.200 -0.554 0.000 1.078 42 S HN 0.809 nan 8.310 nan 0.000 0.477 43 G N 0.762 109.437 108.800 -0.209 0.000 2.367 43 G HA2 0.589 4.548 3.960 -0.000 0.000 0.314 43 G HA3 0.589 4.548 3.960 -0.000 0.000 0.314 43 G C -0.551 174.321 174.900 -0.046 0.000 1.130 43 G CA -0.585 44.383 45.100 -0.220 0.000 0.864 43 G HN 0.595 nan 8.290 nan 0.000 0.486 44 F N 1.619 121.511 119.950 -0.096 0.000 2.869 44 F HA 0.303 4.830 4.527 -0.000 0.000 0.298 44 F C 1.729 177.553 175.800 0.039 0.000 1.235 44 F CA 0.094 58.045 58.000 -0.080 0.000 1.402 44 F CB 0.087 38.947 39.000 -0.232 0.000 1.142 44 F HN 0.758 nan 8.300 nan 0.000 0.529 45 G N 0.600 109.484 108.800 0.140 0.000 2.182 45 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.248 45 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.248 45 G C 0.305 175.288 174.900 0.138 0.000 1.042 45 G CA 0.255 45.434 45.100 0.131 0.000 0.775 45 G HN 0.597 nan 8.290 nan 0.000 0.501 46 T N -1.532 113.122 114.554 0.167 0.000 2.918 46 T HA 0.700 5.050 4.350 -0.000 0.000 0.283 46 T C 0.988 175.761 174.700 0.122 0.000 1.001 46 T CA 0.173 62.335 62.100 0.105 0.000 1.041 46 T CB 2.187 71.118 68.868 0.105 0.000 1.028 46 T HN 1.445 nan 8.240 nan 0.000 0.511 47 G N 0.688 109.512 108.800 0.040 0.000 2.503 47 G HA2 0.566 4.526 3.960 -0.000 0.000 0.257 47 G HA3 0.566 4.526 3.960 -0.000 0.000 0.257 47 G C -0.723 174.381 174.900 0.340 0.000 1.214 47 G CA -0.844 44.350 45.100 0.157 0.000 0.839 47 G HN 0.859 nan 8.290 nan 0.000 0.559 48 I N 1.031 121.844 120.570 0.406 0.000 2.534 48 I HA 0.156 4.326 4.170 -0.000 0.000 0.288 48 I C -0.302 175.984 176.117 0.282 0.000 1.077 48 I CA -0.899 60.582 61.300 0.302 0.000 1.051 48 I CB 2.506 40.646 38.000 0.233 0.000 1.234 48 I HN 0.124 nan 8.210 nan 0.000 0.425 49 V N 6.642 126.610 119.914 0.090 0.000 2.555 49 V HA 0.120 4.240 4.120 -0.000 0.000 0.286 49 V C 0.330 176.464 176.094 0.066 0.000 1.044 49 V CA -0.498 61.810 62.300 0.013 0.000 1.026 49 V CB 1.409 32.976 31.823 -0.427 0.000 0.981 49 V HN 0.367 nan 8.190 nan 0.000 0.480 50 V N 6.078 126.064 119.914 0.120 0.000 2.470 50 V HA 0.204 4.324 4.120 -0.000 0.000 0.276 50 V C 0.251 176.461 176.094 0.193 0.000 1.040 50 V CA -0.309 62.074 62.300 0.138 0.000 1.008 50 V CB 0.905 32.797 31.823 0.114 0.000 0.990 50 V HN 0.855 nan 8.190 nan 0.000 0.477 51 Q N 5.897 125.796 119.800 0.165 0.000 2.297 51 Q HA 0.401 4.741 4.340 -0.000 0.000 0.268 51 Q C -1.807 174.278 176.000 0.143 0.000 1.045 51 Q CA -2.237 53.679 55.803 0.189 0.000 0.861 51 Q CB 1.302 30.139 28.738 0.166 0.000 1.344 51 Q HN 0.265 nan 8.270 nan 0.000 0.452 52 P HA -0.231 nan 4.420 nan 0.000 0.214 52 P C 0.615 177.994 177.300 0.132 0.000 1.169 52 P CA 1.644 64.814 63.100 0.117 0.000 0.908 52 P CB 0.390 32.145 31.700 0.092 0.000 0.791 53 E N -0.882 119.377 120.200 0.098 0.000 2.130 53 E HA -0.191 4.158 4.350 -0.000 0.000 0.196 53 E C 1.933 178.607 176.600 0.123 0.000 0.998 53 E CA 0.925 57.376 56.400 0.085 0.000 0.806 53 E CB -1.109 28.618 29.700 0.045 0.000 0.738 53 E HN 0.177 nan 8.360 nan 0.000 0.459 54 L N 0.098 121.388 121.223 0.111 0.000 2.109 54 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 54 L C 1.887 178.832 176.870 0.124 0.000 1.086 54 L CA 1.144 56.048 54.840 0.106 0.000 0.760 54 L CB 0.061 42.176 42.059 0.093 0.000 0.910 54 L HN 0.179 nan 8.230 nan 0.000 0.437 55 V N -4.512 115.481 119.914 0.132 0.000 3.647 55 V HA 0.002 4.121 4.120 -0.000 0.000 0.279 55 V C 2.290 178.463 176.094 0.132 0.000 1.314 55 V CA 0.527 62.898 62.300 0.118 0.000 1.125 55 V CB -1.190 30.686 31.823 0.089 0.000 0.907 55 V HN 0.534 nan 8.190 nan 0.000 0.434 56 H N 0.390 119.508 119.070 0.080 0.000 2.289 56 H HA -0.289 4.267 4.556 -0.000 0.000 0.294 56 H C 2.088 177.461 175.328 0.075 0.000 1.095 56 H CA 3.003 59.095 56.048 0.072 0.000 1.256 56 H CB -0.121 29.690 29.762 0.083 0.000 1.359 56 H HN 0.569 nan 8.280 nan 0.000 0.487 57 Y N 1.091 121.411 120.300 0.034 0.000 2.097 57 Y HA -0.240 4.310 4.550 -0.000 0.000 0.282 57 Y C 2.814 178.673 175.900 -0.068 0.000 1.152 57 Y CA 1.752 59.836 58.100 -0.026 0.000 1.136 57 Y CB -0.647 37.832 38.460 0.032 0.000 0.975 57 Y HN 0.116 nan 8.280 nan 0.000 0.498 58 L N -0.568 120.670 121.223 0.025 0.000 2.012 58 L HA -0.302 4.038 4.340 -0.000 0.000 0.210 58 L C 2.502 179.286 176.870 -0.143 0.000 1.073 58 L CA 1.529 56.339 54.840 -0.050 0.000 0.748 58 L CB -0.783 41.297 42.059 0.034 0.000 0.891 58 L HN 0.292 nan 8.230 nan 0.000 0.431 59 L N -0.778 120.369 121.223 -0.127 0.000 2.042 59 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 59 L C 2.654 179.399 176.870 -0.208 0.000 1.076 59 L CA 1.138 55.898 54.840 -0.133 0.000 0.749 59 L CB -0.728 41.273 42.059 -0.097 0.000 0.893 59 L HN 0.331 nan 8.230 nan 0.000 0.432 60 E N 0.089 120.089 120.200 -0.333 0.000 2.267 60 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 60 E C 1.946 178.358 176.600 -0.314 0.000 0.998 60 E CA 0.917 57.102 56.400 -0.357 0.000 0.830 60 E CB -0.047 29.370 29.700 -0.471 0.000 0.751 60 E HN 0.556 nan 8.360 nan 0.000 0.491 61 Q N -1.021 118.575 119.800 -0.341 0.000 2.360 61 Q HA 0.135 4.475 4.340 -0.000 0.000 0.202 61 Q C 1.294 177.204 176.000 -0.150 0.000 0.915 61 Q CA 0.700 56.346 55.803 -0.261 0.000 0.943 61 Q CB 1.163 29.725 28.738 -0.293 0.000 1.064 61 Q HN 0.392 nan 8.270 nan 0.000 0.511 62 G N -0.097 108.625 108.800 -0.129 0.000 2.184 62 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.206 62 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.206 62 G C 0.145 175.008 174.900 -0.061 0.000 0.995 62 G CA 0.013 45.063 45.100 -0.083 0.000 0.651 62 G HN 0.190 nan 8.290 nan 0.000 0.511 63 V N 2.596 122.473 119.914 -0.062 0.000 2.529 63 V HA 0.260 4.380 4.120 -0.000 0.000 0.292 63 V C 0.599 176.678 176.094 -0.024 0.000 1.028 63 V CA -0.007 62.272 62.300 -0.034 0.000 1.074 63 V CB 1.191 32.999 31.823 -0.024 0.000 0.958 63 V HN 0.328 nan 8.190 nan 0.000 0.481 64 E N 4.444 124.638 120.200 -0.010 0.000 2.289 64 E HA 0.150 4.500 4.350 -0.000 0.000 0.278 64 E C 0.952 177.559 176.600 0.012 0.000 1.032 64 E CA -0.309 56.090 56.400 -0.002 0.000 0.854 64 E CB 1.678 31.379 29.700 0.002 0.000 1.046 64 E HN 0.560 nan 8.360 nan 0.000 0.409 65 L N 2.760 123.991 121.223 0.013 0.000 1.990 65 L HA -0.277 4.063 4.340 -0.000 0.000 0.213 65 L C 1.628 178.522 176.870 0.039 0.000 1.072 65 L CA 2.157 57.014 54.840 0.027 0.000 0.755 65 L CB -0.269 41.804 42.059 0.024 0.000 0.889 65 L HN 0.562 nan 8.230 nan 0.000 0.432 66 D N -1.536 118.885 120.400 0.035 0.000 2.357 66 D HA -0.202 4.437 4.640 -0.000 0.000 0.216 66 D C 1.865 178.198 176.300 0.055 0.000 0.973 66 D CA 1.245 55.272 54.000 0.046 0.000 0.912 66 D CB -0.336 40.487 40.800 0.039 0.000 0.900 66 D HN 0.385 nan 8.370 nan 0.000 0.501 67 S N -0.179 115.550 115.700 0.047 0.000 2.517 67 S HA 0.050 4.520 4.470 -0.000 0.000 0.214 67 S C 1.600 176.236 174.600 0.059 0.000 0.991 67 S CA -0.045 58.184 58.200 0.049 0.000 0.906 67 S CB -0.653 62.566 63.200 0.033 0.000 0.789 67 S HN 0.589 nan 8.310 nan 0.000 0.513 68 I N -0.340 120.270 120.570 0.066 0.000 4.050 68 I HA 0.476 4.645 4.170 -0.000 0.000 0.327 68 I C -0.074 176.108 176.117 0.109 0.000 1.473 68 I CA -0.554 60.794 61.300 0.080 0.000 1.124 68 I CB 0.627 38.667 38.000 0.067 0.000 1.129 68 I HN 0.305 nan 8.210 nan 0.000 0.428 69 S N -0.366 115.404 115.700 0.116 0.000 2.688 69 S HA 0.782 5.252 4.470 -0.000 0.000 0.275 69 S C -1.158 173.539 174.600 0.162 0.000 1.175 69 S CA -0.684 57.606 58.200 0.149 0.000 0.818 69 S CB 2.676 65.947 63.200 0.118 0.000 1.157 69 S HN 0.003 nan 8.310 nan 0.000 0.482 70 V N 2.528 122.568 119.914 0.210 0.000 2.808 70 V HA 0.666 4.786 4.120 -0.000 0.000 0.308 70 V C -2.487 173.746 176.094 0.231 0.000 1.099 70 V CA -1.972 60.473 62.300 0.242 0.000 0.920 70 V CB 2.563 34.572 31.823 0.311 0.000 1.014 70 V HN 0.940 nan 8.190 nan 0.000 0.425 71 P HA 0.395 nan 4.420 nan 0.000 0.275 71 P C -1.020 176.429 177.300 0.249 0.000 1.266 71 P CA -0.139 63.041 63.100 0.134 0.000 0.793 71 P CB 1.237 33.001 31.700 0.106 0.000 1.074 72 S N -2.099 113.719 115.700 0.196 0.000 2.579 72 S HA 0.530 5.000 4.470 -0.000 0.000 0.272 72 S C 0.015 174.730 174.600 0.192 0.000 1.141 72 S CA -0.336 58.053 58.200 0.315 0.000 0.843 72 S CB 1.101 64.626 63.200 0.542 0.000 1.122 72 S HN 0.459 nan 8.310 nan 0.000 0.468 73 S N -0.469 115.347 115.700 0.193 0.000 2.847 73 S HA 0.524 4.993 4.470 -0.000 0.000 0.254 73 S C 0.226 174.911 174.600 0.142 0.000 1.039 73 S CA 0.280 58.558 58.200 0.130 0.000 1.113 73 S CB -0.472 62.785 63.200 0.095 0.000 1.092 73 S HN 1.755 nan 8.310 nan 0.000 0.620 74 S N 0.705 116.526 115.700 0.202 0.000 2.643 74 S HA 0.761 5.231 4.470 -0.000 0.000 0.270 74 S C -1.226 173.551 174.600 0.295 0.000 1.166 74 S CA -0.903 57.424 58.200 0.210 0.000 0.815 74 S CB 1.485 64.778 63.200 0.154 0.000 1.139 74 S HN 0.400 nan 8.310 nan 0.000 0.472 75 M N 1.605 121.376 119.600 0.285 0.000 2.259 75 M HA 0.605 5.085 4.480 -0.000 0.000 0.304 75 M C -1.655 174.764 176.300 0.197 0.000 1.019 75 M CA -0.103 55.372 55.300 0.291 0.000 0.922 75 M CB 1.694 34.476 32.600 0.302 0.000 1.600 75 M HN 0.726 nan 8.290 nan 0.000 0.433 76 E N 4.065 124.330 120.200 0.108 0.000 2.207 76 E HA 0.364 4.714 4.350 -0.000 0.000 0.270 76 E C -1.828 174.793 176.600 0.034 0.000 0.927 76 E CA -0.436 56.041 56.400 0.129 0.000 0.799 76 E CB 1.930 31.687 29.700 0.095 0.000 1.172 76 E HN 0.717 nan 8.360 nan 0.000 0.404 77 Y N 0.090 120.571 120.300 0.303 0.000 2.332 77 Y HA 0.407 4.957 4.550 -0.000 0.000 0.326 77 Y C -0.287 175.757 175.900 0.240 0.000 0.978 77 Y CA -0.876 57.414 58.100 0.318 0.000 1.205 77 Y CB 1.751 40.349 38.460 0.230 0.000 1.131 77 Y HN 0.112 nan 8.280 nan 0.000 0.462 78 V N 2.119 122.264 119.914 0.385 0.000 2.789 78 V HA 0.220 4.339 4.120 -0.000 0.000 0.311 78 V C -0.689 175.502 176.094 0.162 0.000 1.073 78 V CA -1.073 61.396 62.300 0.280 0.000 0.921 78 V CB 2.251 34.328 31.823 0.425 0.000 1.009 78 V HN 0.657 nan 8.190 nan 0.000 0.426 79 D N 3.242 123.681 120.400 0.065 0.000 2.382 79 D HA 0.234 4.874 4.640 -0.000 0.000 0.259 79 D C 0.817 177.067 176.300 -0.084 0.000 1.224 79 D CA 0.282 54.273 54.000 -0.015 0.000 0.894 79 D CB 1.797 42.572 40.800 -0.040 0.000 1.127 79 D HN 0.708 nan 8.370 nan 0.000 0.487 80 A N 3.880 126.589 122.820 -0.184 0.000 2.259 80 A HA 0.049 4.369 4.320 -0.000 0.000 0.208 80 A C 1.507 179.010 177.584 -0.135 0.000 1.201 80 A CA 0.026 51.829 52.037 -0.390 0.000 0.824 80 A CB -0.145 18.369 19.000 -0.809 0.000 0.838 80 A HN 0.573 nan 8.150 nan 0.000 0.485 81 L N -1.243 119.943 121.223 -0.061 0.000 2.349 81 L HA 0.092 4.432 4.340 -0.000 0.000 0.200 81 L C 2.450 179.333 176.870 0.022 0.000 1.064 81 L CA 2.348 57.190 54.840 0.002 0.000 0.821 81 L CB 0.057 42.111 42.059 -0.010 0.000 1.027 81 L HN 0.430 nan 8.230 nan 0.000 0.476 82 T N -5.067 109.431 114.554 -0.094 0.000 3.023 82 T HA 0.345 4.694 4.350 -0.000 0.000 0.253 82 T C 1.448 175.826 174.700 -0.536 0.000 1.038 82 T CA 0.442 62.442 62.100 -0.166 0.000 0.962 82 T CB 0.550 69.353 68.868 -0.109 0.000 1.018 82 T HN 0.408 nan 8.240 nan 0.000 0.521 83 G N 1.493 109.791 108.800 -0.838 0.000 2.234 83 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 83 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 83 G C -0.077 174.485 174.900 -0.564 0.000 0.987 83 G CA 0.201 44.377 45.100 -1.539 0.000 0.625 83 G HN 0.689 nan 8.290 nan 0.000 0.532 84 E N 1.088 121.100 120.200 -0.313 0.000 2.820 84 E HA 0.055 4.405 4.350 -0.000 0.000 0.251 84 E C 0.928 177.508 176.600 -0.033 0.000 0.944 84 E CA -0.008 56.319 56.400 -0.122 0.000 0.955 84 E CB 0.236 29.890 29.700 -0.077 0.000 0.904 84 E HN 0.417 nan 8.360 nan 0.000 0.513 85 R N 3.867 124.377 120.500 0.018 0.000 2.248 85 R HA 0.049 4.389 4.340 -0.000 0.000 0.328 85 R C 0.631 176.984 176.300 0.088 0.000 1.067 85 R CA -0.359 55.792 56.100 0.086 0.000 0.924 85 R CB 0.623 30.977 30.300 0.090 0.000 1.013 85 R HN 0.397 nan 8.270 nan 0.000 0.454 86 V N 3.819 123.812 119.914 0.132 0.000 2.453 86 V HA 0.101 4.221 4.120 -0.000 0.000 0.247 86 V C 1.161 177.308 176.094 0.089 0.000 1.048 86 V CA 1.681 64.043 62.300 0.103 0.000 1.049 86 V CB -0.310 31.592 31.823 0.132 0.000 0.672 86 V HN 1.027 nan 8.190 nan 0.000 0.457 87 G N -1.022 107.879 108.800 0.169 0.000 2.316 87 G HA2 0.448 4.408 3.960 -0.000 0.000 0.296 87 G HA3 0.448 4.408 3.960 -0.000 0.000 0.296 87 G C -1.173 173.904 174.900 0.296 0.000 1.399 87 G CA 0.185 45.373 45.100 0.147 0.000 0.833 87 G HN 0.456 nan 8.290 nan 0.000 0.565 88 S N -1.501 114.336 115.700 0.229 0.000 2.546 88 S HA 0.864 5.334 4.470 -0.000 0.000 0.274 88 S C -0.583 174.147 174.600 0.217 0.000 1.121 88 S CA 0.119 58.480 58.200 0.269 0.000 0.887 88 S CB 1.665 64.965 63.200 0.166 0.000 1.094 88 S HN 2.245 nan 8.310 nan 0.000 0.474 89 V N 0.167 120.233 119.914 0.255 0.000 2.876 89 V HA 0.798 4.918 4.120 -0.000 0.000 0.312 89 V C -3.087 173.101 176.094 0.158 0.000 1.085 89 V CA -2.618 59.785 62.300 0.173 0.000 0.945 89 V CB 1.026 32.949 31.823 0.167 0.000 1.017 89 V HN 0.727 nan 8.190 nan 0.000 0.428 90 P HA 0.512 nan 4.420 nan 0.000 0.267 90 P C -0.336 177.014 177.300 0.084 0.000 1.201 90 P CA 0.649 63.798 63.100 0.082 0.000 0.775 90 P CB 0.621 32.346 31.700 0.043 0.000 0.854 91 A N 1.712 124.570 122.820 0.064 0.000 2.590 91 A HA 0.520 4.840 4.320 -0.000 0.000 0.294 91 A C -1.480 176.087 177.584 -0.029 0.000 1.046 91 A CA -0.516 51.541 52.037 0.034 0.000 0.684 91 A CB 0.958 20.106 19.000 0.246 0.000 1.279 91 A HN 0.546 nan 8.150 nan 0.000 0.415 92 D N -0.673 119.589 120.400 -0.230 0.000 2.865 92 D HA 0.191 4.831 4.640 -0.000 0.000 0.347 92 D C -0.791 175.340 176.300 -0.282 0.000 1.498 92 D CA -0.215 53.675 54.000 -0.183 0.000 0.787 92 D CB -0.949 39.752 40.800 -0.164 0.000 1.190 92 D HN 0.497 nan 8.370 nan 0.000 0.445 93 W N 1.626 122.853 121.300 -0.122 0.000 2.231 93 W HA 0.226 4.886 4.660 -0.000 0.000 0.341 93 W C 1.282 177.428 176.519 -0.623 0.000 1.298 93 W CA -0.242 56.916 57.345 -0.312 0.000 1.266 93 W CB 0.676 29.964 29.460 -0.287 0.000 1.172 93 W HN -0.323 nan 8.180 nan 0.000 0.568 94 R N 1.915 122.235 120.500 -0.300 0.000 2.598 94 R HA 0.597 4.936 4.340 -0.000 0.000 0.279 94 R C -1.220 174.789 176.300 -0.485 0.000 0.984 94 R CA -1.015 54.866 56.100 -0.365 0.000 0.999 94 R CB 1.083 31.334 30.300 -0.082 0.000 1.114 94 R HN 0.257 nan 8.270 nan 0.000 0.493 95 F N -0.661 119.422 119.950 0.223 0.000 2.540 95 F HA 0.402 4.929 4.527 -0.000 0.000 0.317 95 F C 0.795 176.728 175.800 0.223 0.000 1.104 95 F CA -0.635 57.505 58.000 0.232 0.000 0.913 95 F CB 2.081 41.303 39.000 0.369 0.000 1.170 95 F HN 0.382 nan 8.300 nan 0.000 0.450 96 T N 0.141 114.927 114.554 0.387 0.000 2.644 96 T HA 0.783 5.132 4.350 -0.000 0.000 0.253 96 T C -0.831 174.039 174.700 0.282 0.000 0.910 96 T CA -0.333 61.934 62.100 0.279 0.000 1.066 96 T CB 1.275 70.257 68.868 0.189 0.000 1.484 96 T HN 0.763 nan 8.240 nan 0.000 0.560 97 S N -0.613 115.216 115.700 0.215 0.000 2.569 97 S HA 0.406 4.876 4.470 -0.000 0.000 0.280 97 S C 0.317 175.043 174.600 0.210 0.000 1.111 97 S CA -0.639 57.691 58.200 0.217 0.000 0.887 97 S CB 1.078 64.389 63.200 0.185 0.000 1.095 97 S HN 0.753 nan 8.310 nan 0.000 0.476 98 Y N 1.856 122.239 120.300 0.137 0.000 2.102 98 Y HA -0.234 4.316 4.550 -0.000 0.000 0.280 98 Y C 1.709 177.698 175.900 0.148 0.000 1.178 98 Y CA 2.573 60.753 58.100 0.133 0.000 1.146 98 Y CB -0.319 38.207 38.460 0.110 0.000 0.968 98 Y HN 0.789 nan 8.280 nan 0.000 0.504 99 D N -0.803 119.773 120.400 0.294 0.000 2.178 99 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 99 D C 2.342 178.721 176.300 0.132 0.000 0.980 99 D CA 1.519 55.650 54.000 0.219 0.000 0.842 99 D CB -0.223 40.679 40.800 0.170 0.000 0.948 99 D HN 0.341 nan 8.370 nan 0.000 0.472 100 S N 0.113 115.876 115.700 0.105 0.000 2.368 100 S HA -0.085 4.385 4.470 -0.000 0.000 0.225 100 S C 1.961 176.584 174.600 0.039 0.000 1.030 100 S CA 0.456 58.704 58.200 0.079 0.000 0.999 100 S CB 0.166 63.424 63.200 0.097 0.000 0.844 100 S HN 0.210 nan 8.310 nan 0.000 0.459 101 I N 0.161 120.731 120.570 -0.001 0.000 2.206 101 I HA -0.073 4.097 4.170 -0.000 0.000 0.239 101 I C 2.104 178.178 176.117 -0.072 0.000 1.078 101 I CA 1.204 62.483 61.300 -0.035 0.000 1.367 101 I CB -1.619 36.347 38.000 -0.057 0.000 1.078 101 I HN 0.288 nan 8.210 nan 0.000 0.413 102 Y N 2.434 122.559 120.300 -0.291 0.000 2.069 102 Y HA -0.272 4.278 4.550 -0.000 0.000 0.278 102 Y C 2.566 178.439 175.900 -0.045 0.000 1.175 102 Y CA 2.176 60.142 58.100 -0.223 0.000 1.134 102 Y CB -0.843 37.413 38.460 -0.341 0.000 0.965 102 Y HN 0.154 nan 8.280 nan 0.000 0.498 103 G N -0.895 107.896 108.800 -0.016 0.000 2.422 103 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 103 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 103 G C 1.848 176.707 174.900 -0.068 0.000 1.146 103 G CA 0.785 45.873 45.100 -0.021 0.000 0.769 103 G HN 0.662 nan 8.290 nan 0.000 0.547 104 G N 0.840 109.609 108.800 -0.051 0.000 2.404 104 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.215 104 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.215 104 G C 1.801 176.669 174.900 -0.054 0.000 1.174 104 G CA 0.730 45.811 45.100 -0.032 0.000 0.780 104 G HN 0.416 nan 8.290 nan 0.000 0.537 105 L N -1.082 120.081 121.223 -0.100 0.000 2.005 105 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 105 L C 2.592 179.352 176.870 -0.182 0.000 1.072 105 L CA 1.364 56.137 54.840 -0.112 0.000 0.744 105 L CB -0.630 41.347 42.059 -0.138 0.000 0.895 105 L HN 0.267 nan 8.230 nan 0.000 0.433 106 Y N 0.989 120.998 120.300 -0.484 0.000 2.128 106 Y HA -0.318 4.232 4.550 -0.000 0.000 0.284 106 Y C 2.665 178.416 175.900 -0.249 0.000 1.154 106 Y CA 1.999 59.797 58.100 -0.503 0.000 1.149 106 Y CB -0.220 37.727 38.460 -0.854 0.000 0.976 106 Y HN 0.187 nan 8.280 nan 0.000 0.505 107 E N 0.042 120.094 120.200 -0.246 0.000 2.097 107 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 107 E C 2.135 178.596 176.600 -0.233 0.000 1.000 107 E CA 1.840 58.108 56.400 -0.221 0.000 0.804 107 E CB -0.380 29.272 29.700 -0.081 0.000 0.740 107 E HN 0.592 nan 8.360 nan 0.000 0.454 108 L N -0.341 120.798 121.223 -0.140 0.000 2.141 108 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 108 L C 2.289 179.111 176.870 -0.080 0.000 1.094 108 L CA 0.636 55.439 54.840 -0.063 0.000 0.763 108 L CB -0.262 41.837 42.059 0.066 0.000 0.908 108 L HN 0.192 nan 8.230 nan 0.000 0.437 109 F N 0.160 119.920 119.950 -0.318 0.000 2.147 109 F HA 0.289 4.816 4.527 -0.000 0.000 0.291 109 F C 1.444 177.017 175.800 -0.378 0.000 1.093 109 F CA 0.911 58.731 58.000 -0.299 0.000 1.263 109 F CB -0.027 38.811 39.000 -0.271 0.000 1.036 109 F HN 0.071 nan 8.300 nan 0.000 0.481 110 G N 0.000 108.455 108.800 -0.575 0.000 2.699 110 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 110 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 110 G C -2.265 172.395 174.900 -0.399 0.000 1.301 110 G CA -0.416 44.333 45.100 -0.585 0.000 0.816 110 G HN 0.170 nan 8.290 nan 0.000 0.595 111 P HA 0.010 nan 4.420 nan 0.000 0.224 111 P C 1.319 178.613 177.300 -0.010 0.000 1.157 111 P CA 1.500 64.639 63.100 0.064 0.000 0.799 111 P CB 0.155 31.918 31.700 0.105 0.000 0.809 112 E N 1.609 121.735 120.200 -0.125 0.000 2.086 112 E HA -0.212 4.138 4.350 -0.000 0.000 0.205 112 E C 1.234 177.720 176.600 -0.190 0.000 1.027 112 E CA 1.557 57.875 56.400 -0.137 0.000 0.830 112 E CB -0.243 29.365 29.700 -0.153 0.000 0.751 112 E HN 0.179 nan 8.360 nan 0.000 0.456 113 R N -0.807 119.563 120.500 -0.217 0.000 2.696 113 R HA 0.140 4.480 4.340 -0.000 0.000 0.355 113 R C -0.938 175.256 176.300 -0.177 0.000 1.138 113 R CA -0.275 55.661 56.100 -0.272 0.000 1.059 113 R CB 0.395 30.651 30.300 -0.073 0.000 1.380 113 R HN 0.186 nan 8.270 nan 0.000 0.578 114 Y N 1.626 121.786 120.300 -0.233 0.000 2.478 114 Y HA 0.228 4.778 4.550 -0.000 0.000 0.329 114 Y C -0.471 175.294 175.900 -0.225 0.000 0.967 114 Y CA -0.892 57.172 58.100 -0.061 0.000 1.255 114 Y CB 0.404 39.029 38.460 0.276 0.000 1.103 114 Y HN 0.140 nan 8.280 nan 0.000 0.497 115 H N 4.858 123.788 119.070 -0.233 0.000 2.741 115 H HA 0.177 4.733 4.556 -0.000 0.000 0.282 115 H C 0.414 175.635 175.328 -0.179 0.000 1.122 115 H CA -0.162 55.781 56.048 -0.175 0.000 1.293 115 H CB 0.457 30.059 29.762 -0.267 0.000 1.415 115 H HN 0.657 nan 8.280 nan 0.000 0.472 116 T N -0.410 114.163 114.554 0.032 0.000 2.828 116 T HA 0.117 4.467 4.350 -0.000 0.000 0.290 116 T C 0.880 175.579 174.700 -0.002 0.000 1.019 116 T CA -0.591 61.520 62.100 0.020 0.000 1.031 116 T CB 0.877 69.804 68.868 0.099 0.000 1.001 116 T HN 0.570 nan 8.240 nan 0.000 0.531 117 S N 0.269 115.965 115.700 -0.008 0.000 3.635 117 S HA -0.116 4.354 4.470 -0.000 0.000 0.328 117 S C -0.196 174.367 174.600 -0.063 0.000 1.135 117 S CA 0.479 58.669 58.200 -0.016 0.000 0.942 117 S CB -1.312 61.884 63.200 -0.006 0.000 0.930 117 S HN 0.798 nan 8.310 nan 0.000 0.512 118 K N 1.149 121.486 120.400 -0.105 0.000 2.478 118 K HA 0.402 4.722 4.320 -0.000 0.000 0.236 118 K C -0.359 176.266 176.600 0.042 0.000 1.021 118 K CA -0.293 55.817 56.287 -0.294 0.000 1.010 118 K CB 1.087 33.215 32.500 -0.621 0.000 1.331 118 K HN 0.375 nan 8.250 nan 0.000 0.470 119 C N 5.001 124.431 119.300 0.217 0.000 2.246 119 C HA 0.356 4.816 4.460 -0.000 0.000 0.329 119 C C 0.480 175.705 174.990 0.392 0.000 1.221 119 C CA -1.047 58.123 59.018 0.254 0.000 1.697 119 C CB -1.015 26.805 27.740 0.134 0.000 2.312 119 C HN 0.792 nan 8.230 nan 0.000 0.509 120 L N 6.666 128.081 121.223 0.321 0.000 2.490 120 L HA 0.253 4.593 4.340 -0.000 0.000 0.274 120 L C 0.994 177.840 176.870 -0.040 0.000 1.201 120 L CA 0.901 55.736 54.840 -0.009 0.000 0.869 120 L CB 1.161 43.182 42.059 -0.063 0.000 1.123 120 L HN 0.735 nan 8.230 nan 0.000 0.484 121 V N 1.023 120.861 119.914 -0.126 0.000 3.411 121 V HA 0.692 4.812 4.120 -0.000 0.000 0.287 121 V C 0.354 176.384 176.094 -0.106 0.000 1.543 121 V CA 0.404 62.658 62.300 -0.076 0.000 1.028 121 V CB -0.106 31.693 31.823 -0.039 0.000 0.840 121 V HN 0.906 nan 8.190 nan 0.000 0.435 122 G N 0.312 109.010 108.800 -0.171 0.000 2.698 122 G HA2 0.690 4.650 3.960 -0.000 0.000 0.293 122 G HA3 0.690 4.650 3.960 -0.000 0.000 0.293 122 G C -2.332 172.451 174.900 -0.195 0.000 1.437 122 G CA -0.511 44.498 45.100 -0.153 0.000 0.852 122 G HN 0.603 nan 8.290 nan 0.000 0.499 123 L N 0.877 122.014 121.223 -0.144 0.000 2.513 123 L HA 0.855 5.195 4.340 -0.000 0.000 0.261 123 L C -0.315 176.495 176.870 -0.100 0.000 0.945 123 L CA -0.088 54.669 54.840 -0.138 0.000 0.848 123 L CB 2.221 44.215 42.059 -0.109 0.000 1.334 123 L HN 1.307 nan 8.230 nan 0.000 0.407 124 S N 2.839 118.482 115.700 -0.096 0.000 2.625 124 S HA 0.916 5.386 4.470 -0.000 0.000 0.271 124 S C -1.617 172.941 174.600 -0.069 0.000 1.161 124 S CA -0.464 57.693 58.200 -0.071 0.000 0.820 124 S CB 2.030 65.191 63.200 -0.066 0.000 1.137 124 S HN 0.961 nan 8.310 nan 0.000 0.470 125 Q N 0.078 119.844 119.800 -0.057 0.000 2.472 125 Q HA 0.732 5.071 4.340 -0.000 0.000 0.281 125 Q C -2.076 173.889 176.000 -0.058 0.000 0.997 125 Q CA -0.874 54.890 55.803 -0.064 0.000 0.828 125 Q CB 1.678 30.381 28.738 -0.057 0.000 1.443 125 Q HN 0.732 nan 8.270 nan 0.000 0.390 126 D N 0.085 120.442 120.400 -0.073 0.000 2.837 126 D HA 0.260 4.900 4.640 -0.000 0.000 0.294 126 D C 0.519 176.769 176.300 -0.082 0.000 1.158 126 D CA -0.052 53.910 54.000 -0.063 0.000 1.073 126 D CB 0.381 41.147 40.800 -0.056 0.000 1.419 126 D HN 0.535 nan 8.370 nan 0.000 0.584 127 S N -1.074 114.584 115.700 -0.069 0.000 2.447 127 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 127 S C 1.065 175.594 174.600 -0.118 0.000 1.006 127 S CA 0.814 58.966 58.200 -0.079 0.000 0.957 127 S CB -0.451 62.720 63.200 -0.047 0.000 0.773 127 S HN 0.490 nan 8.310 nan 0.000 0.507 128 E N 1.498 121.630 120.200 -0.113 0.000 2.102 128 E HA 0.111 4.461 4.350 -0.000 0.000 0.190 128 E C 1.196 177.677 176.600 -0.198 0.000 0.971 128 E CA 1.278 57.596 56.400 -0.136 0.000 0.821 128 E CB -0.156 29.491 29.700 -0.088 0.000 0.777 128 E HN 0.775 nan 8.360 nan 0.000 0.460 129 T N -2.034 112.419 114.554 -0.169 0.000 2.812 129 T HA 0.602 4.952 4.350 -0.000 0.000 0.294 129 T C -0.630 173.982 174.700 -0.147 0.000 1.159 129 T CA -0.900 61.099 62.100 -0.169 0.000 1.008 129 T CB 2.061 70.862 68.868 -0.111 0.000 1.289 129 T HN -0.161 nan 8.240 nan 0.000 0.514 130 V N 1.894 121.731 119.914 -0.130 0.000 2.588 130 V HA 0.534 4.654 4.120 -0.000 0.000 0.304 130 V C -0.911 175.121 176.094 -0.103 0.000 1.042 130 V CA -0.858 61.379 62.300 -0.105 0.000 0.877 130 V CB 1.849 33.621 31.823 -0.084 0.000 0.996 130 V HN 0.893 nan 8.190 nan 0.000 0.425 131 Q N 4.584 124.317 119.800 -0.112 0.000 2.293 131 Q HA 0.667 5.006 4.340 -0.000 0.000 0.261 131 Q C -0.908 174.975 176.000 -0.194 0.000 0.960 131 Q CA -0.321 55.401 55.803 -0.135 0.000 0.882 131 Q CB 2.556 31.225 28.738 -0.115 0.000 1.275 131 Q HN 0.681 nan 8.270 nan 0.000 0.445 132 M N 1.951 121.381 119.600 -0.283 0.000 2.436 132 M HA 0.487 4.967 4.480 -0.000 0.000 0.331 132 M C -0.199 175.727 176.300 -0.622 0.000 1.135 132 M CA -0.276 54.730 55.300 -0.490 0.000 0.987 132 M CB 2.069 34.285 32.600 -0.640 0.000 1.687 132 M HN 0.227 nan 8.290 nan 0.000 0.445 133 R N 1.837 121.933 120.500 -0.673 0.000 2.599 133 R HA 0.665 5.005 4.340 -0.000 0.000 0.295 133 R C -1.587 174.329 176.300 -0.640 0.000 0.963 133 R CA -0.457 55.334 56.100 -0.516 0.000 0.883 133 R CB 1.888 32.033 30.300 -0.258 0.000 1.171 133 R HN 0.513 nan 8.270 nan 0.000 0.450 134 F N -0.457 119.444 119.950 -0.081 0.000 2.541 134 F HA 0.167 4.694 4.527 -0.000 0.000 0.331 134 F C 1.751 177.529 175.800 -0.036 0.000 1.057 134 F CA -0.606 57.358 58.000 -0.060 0.000 0.975 134 F CB 1.802 40.766 39.000 -0.060 0.000 1.246 134 F HN 0.535 nan 8.300 nan 0.000 0.484 135 S N -1.094 114.728 115.700 0.204 0.000 2.547 135 S HA -0.159 4.311 4.470 -0.000 0.000 0.235 135 S C 0.960 175.609 174.600 0.082 0.000 0.980 135 S CA 1.106 59.365 58.200 0.098 0.000 0.941 135 S CB -0.630 62.616 63.200 0.078 0.000 0.763 135 S HN 0.739 nan 8.310 nan 0.000 0.532 136 D N 0.150 120.615 120.400 0.109 0.000 2.339 136 D HA 0.241 4.881 4.640 -0.000 0.000 0.217 136 D C 1.370 177.709 176.300 0.064 0.000 1.050 136 D CA 0.541 54.582 54.000 0.068 0.000 0.856 136 D CB -0.516 40.314 40.800 0.049 0.000 0.922 136 D HN 0.536 nan 8.370 nan 0.000 0.518 137 G N 0.084 108.931 108.800 0.078 0.000 2.175 137 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 137 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 137 G C 0.478 175.415 174.900 0.061 0.000 0.982 137 G CA 0.532 45.662 45.100 0.050 0.000 0.641 137 G HN 0.787 nan 8.290 nan 0.000 0.527 138 T N -1.828 112.795 114.554 0.115 0.000 2.897 138 T HA 0.739 5.088 4.350 -0.000 0.000 0.278 138 T C -0.148 174.654 174.700 0.171 0.000 0.981 138 T CA 0.139 62.312 62.100 0.121 0.000 0.973 138 T CB 2.230 71.159 68.868 0.103 0.000 1.092 138 T HN 1.079 nan 8.240 nan 0.000 0.543 139 K N -0.573 119.898 120.400 0.117 0.000 2.469 139 K HA 0.791 5.111 4.320 -0.000 0.000 0.254 139 K C -1.298 175.337 176.600 0.059 0.000 0.939 139 K CA -1.168 55.140 56.287 0.034 0.000 0.812 139 K CB 2.161 34.630 32.500 -0.052 0.000 1.301 139 K HN 0.863 nan 8.250 nan 0.000 0.433 140 A N 1.547 124.361 122.820 -0.010 0.000 2.387 140 A HA 0.615 4.935 4.320 -0.000 0.000 0.303 140 A C -1.389 176.140 177.584 -0.091 0.000 1.145 140 A CA -0.726 51.285 52.037 -0.042 0.000 0.801 140 A CB 1.691 20.613 19.000 -0.130 0.000 1.342 140 A HN 0.849 nan 8.150 nan 0.000 0.440 141 E N -0.650 119.525 120.200 -0.040 0.000 2.272 141 E HA 0.657 5.007 4.350 -0.000 0.000 0.269 141 E C -0.903 175.692 176.600 -0.009 0.000 0.877 141 E CA -0.613 55.761 56.400 -0.043 0.000 0.755 141 E CB 2.091 31.772 29.700 -0.032 0.000 1.192 141 E HN 1.044 nan 8.360 nan 0.000 0.422 142 A N 3.073 125.878 122.820 -0.026 0.000 2.569 142 A HA 0.372 4.691 4.320 -0.000 0.000 0.290 142 A C -0.333 177.205 177.584 -0.076 0.000 1.136 142 A CA -0.625 51.409 52.037 -0.005 0.000 0.710 142 A CB 1.300 20.331 19.000 0.052 0.000 1.303 142 A HN 0.791 nan 8.150 nan 0.000 0.413 143 N N -1.052 117.590 118.700 -0.095 0.000 2.250 143 N HA 0.048 4.788 4.740 -0.000 0.000 0.181 143 N C -0.672 174.488 175.510 -0.582 0.000 1.017 143 N CA 1.288 54.146 53.050 -0.321 0.000 0.866 143 N CB 0.016 38.352 38.487 -0.252 0.000 0.985 143 N HN 0.661 nan 8.380 nan 0.000 0.429 144 W N -0.229 121.048 121.300 -0.038 0.000 2.915 144 W HA 0.629 5.289 4.660 -0.000 0.000 0.337 144 W C -1.274 175.231 176.519 -0.023 0.000 1.102 144 W CA -0.716 56.614 57.345 -0.026 0.000 1.224 144 W CB 1.178 30.577 29.460 -0.103 0.000 1.416 144 W HN -0.438 nan 8.180 nan 0.000 0.503 145 V N 4.247 124.306 119.914 0.242 0.000 2.531 145 V HA 0.453 4.572 4.120 -0.000 0.000 0.301 145 V C -0.369 175.837 176.094 0.187 0.000 1.034 145 V CA -0.973 61.425 62.300 0.164 0.000 0.865 145 V CB 1.622 33.500 31.823 0.093 0.000 0.995 145 V HN 0.412 nan 8.190 nan 0.000 0.424 146 I N 3.882 124.545 120.570 0.155 0.000 2.312 146 I HA 0.423 4.593 4.170 -0.000 0.000 0.290 146 I C 1.020 177.220 176.117 0.139 0.000 1.008 146 I CA -0.258 61.133 61.300 0.151 0.000 1.226 146 I CB 1.562 39.630 38.000 0.113 0.000 1.371 146 I HN 0.743 nan 8.210 nan 0.000 0.468 147 G N 5.033 113.920 108.800 0.145 0.000 2.621 147 G HA2 0.401 4.361 3.960 -0.000 0.000 0.306 147 G HA3 0.401 4.361 3.960 -0.000 0.000 0.306 147 G C 0.454 175.428 174.900 0.123 0.000 0.893 147 G CA -0.268 44.905 45.100 0.122 0.000 1.486 147 G HN 0.807 nan 8.290 nan 0.000 0.477 148 A N 2.863 125.750 122.820 0.111 0.000 2.842 148 A HA 0.322 4.642 4.320 -0.000 0.000 0.298 148 A C 1.022 178.664 177.584 0.098 0.000 1.293 148 A CA -0.263 51.837 52.037 0.105 0.000 0.959 148 A CB 0.162 19.218 19.000 0.092 0.000 1.119 148 A HN 0.535 nan 8.150 nan 0.000 0.564 149 D N -0.458 119.997 120.400 0.091 0.000 2.395 149 D HA 0.385 5.025 4.640 -0.000 0.000 0.226 149 D C 0.895 177.238 176.300 0.071 0.000 1.146 149 D CA 0.499 54.547 54.000 0.081 0.000 0.830 149 D CB -0.475 40.370 40.800 0.074 0.000 0.958 149 D HN 0.773 nan 8.370 nan 0.000 0.501 150 G N -0.274 108.572 108.800 0.077 0.000 2.725 150 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.220 150 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.220 150 G C 0.943 175.876 174.900 0.055 0.000 1.357 150 G CA -0.144 44.997 45.100 0.070 0.000 0.866 150 G HN 0.478 nan 8.290 nan 0.000 0.548 151 G N -0.429 108.399 108.800 0.046 0.000 2.450 151 G HA2 0.303 4.262 3.960 -0.000 0.000 0.220 151 G HA3 0.303 4.262 3.960 -0.000 0.000 0.220 151 G C 1.483 176.398 174.900 0.026 0.000 1.130 151 G CA 2.304 47.425 45.100 0.036 0.000 0.760 151 G HN 2.058 nan 8.290 nan 0.000 0.557 152 A N 0.246 123.078 122.820 0.020 0.000 2.684 152 A HA 0.597 4.917 4.320 -0.000 0.000 0.288 152 A C 1.042 178.636 177.584 0.018 0.000 1.337 152 A CA 0.285 52.330 52.037 0.012 0.000 0.946 152 A CB -0.324 18.677 19.000 0.001 0.000 1.093 152 A HN 0.322 nan 8.150 nan 0.000 0.543 153 S N -0.090 115.626 115.700 0.028 0.000 2.885 153 S HA 0.037 4.507 4.470 -0.000 0.000 0.334 153 S C 1.429 176.039 174.600 0.017 0.000 1.224 153 S CA 0.175 58.394 58.200 0.032 0.000 1.080 153 S CB 0.070 63.295 63.200 0.041 0.000 0.801 153 S HN 0.425 nan 8.310 nan 0.000 0.510 154 V N 6.777 126.699 119.914 0.015 0.000 2.427 154 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 154 V C 2.364 178.451 176.094 -0.012 0.000 1.051 154 V CA 1.820 64.120 62.300 -0.001 0.000 1.048 154 V CB -0.613 31.209 31.823 -0.002 0.000 0.666 154 V HN 0.849 nan 8.190 nan 0.000 0.456 155 V N 0.255 120.168 119.914 -0.001 0.000 2.282 155 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 155 V C 2.638 178.715 176.094 -0.029 0.000 1.057 155 V CA 2.604 64.898 62.300 -0.010 0.000 1.032 155 V CB -0.786 31.050 31.823 0.022 0.000 0.645 155 V HN 0.513 nan 8.190 nan 0.000 0.447 156 R N 0.162 120.653 120.500 -0.015 0.000 2.092 156 R HA -0.180 4.160 4.340 -0.000 0.000 0.231 156 R C 2.418 178.692 176.300 -0.044 0.000 1.119 156 R CA 1.933 58.011 56.100 -0.037 0.000 0.970 156 R CB -0.270 30.030 30.300 0.000 0.000 0.864 156 R HN 0.495 nan 8.270 nan 0.000 0.440 157 K N 0.031 120.416 120.400 -0.025 0.000 2.063 157 K HA -0.143 4.176 4.320 -0.000 0.000 0.208 157 K C 2.167 178.744 176.600 -0.038 0.000 1.048 157 K CA 1.304 57.575 56.287 -0.026 0.000 0.928 157 K CB 0.045 32.535 32.500 -0.017 0.000 0.713 157 K HN 0.063 nan 8.250 nan 0.000 0.442 158 R N 0.516 120.989 120.500 -0.045 0.000 2.073 158 R HA -0.050 4.290 4.340 -0.000 0.000 0.229 158 R C 2.379 178.642 176.300 -0.062 0.000 1.120 158 R CA 1.033 57.102 56.100 -0.051 0.000 0.967 158 R CB -0.719 29.547 30.300 -0.055 0.000 0.862 158 R HN 0.286 nan 8.270 nan 0.000 0.436 159 L N 0.041 121.211 121.223 -0.090 0.000 2.093 159 L HA -0.066 4.273 4.340 -0.000 0.000 0.208 159 L C 1.917 178.712 176.870 -0.124 0.000 1.085 159 L CA 1.156 55.917 54.840 -0.130 0.000 0.755 159 L CB -0.116 41.792 42.059 -0.253 0.000 0.904 159 L HN 0.090 nan 8.230 nan 0.000 0.435 160 L N -2.274 118.884 121.223 -0.107 0.000 2.993 160 L HA 0.333 4.672 4.340 -0.000 0.000 0.264 160 L C 1.311 178.163 176.870 -0.030 0.000 1.154 160 L CA 0.453 55.250 54.840 -0.072 0.000 0.972 160 L CB 0.663 42.671 42.059 -0.084 0.000 1.373 160 L HN 0.290 nan 8.230 nan 0.000 0.564 161 G N 1.562 110.345 108.800 -0.029 0.000 2.162 161 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 161 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 161 G C 0.125 175.021 174.900 -0.007 0.000 0.976 161 G CA 0.064 45.155 45.100 -0.015 0.000 0.655 161 G HN 0.247 nan 8.290 nan 0.000 0.533 162 I N 0.961 121.528 120.570 -0.006 0.000 2.365 162 I HA 0.522 4.692 4.170 -0.000 0.000 0.291 162 I C 0.456 176.577 176.117 0.008 0.000 1.004 162 I CA -0.265 61.040 61.300 0.007 0.000 1.311 162 I CB 1.221 39.232 38.000 0.018 0.000 1.401 162 I HN 0.166 nan 8.210 nan 0.000 0.491 163 E N 6.300 126.507 120.200 0.011 0.000 2.410 163 E HA 0.473 4.822 4.350 -0.000 0.000 0.269 163 E C -2.477 174.133 176.600 0.018 0.000 0.937 163 E CA -2.007 54.400 56.400 0.011 0.000 0.793 163 E CB 1.491 31.194 29.700 0.004 0.000 1.314 163 E HN 0.285 nan 8.360 nan 0.000 0.447 164 P HA 0.042 nan 4.420 nan 0.000 0.266 164 P C -1.018 176.300 177.300 0.030 0.000 1.195 164 P CA 0.110 63.223 63.100 0.022 0.000 0.768 164 P CB 0.457 32.166 31.700 0.015 0.000 0.838 165 T N 2.624 117.199 114.554 0.034 0.000 2.771 165 T HA 0.184 4.534 4.350 -0.000 0.000 0.281 165 T C -0.470 174.270 174.700 0.066 0.000 0.982 165 T CA -0.213 61.918 62.100 0.053 0.000 0.978 165 T CB 0.061 68.951 68.868 0.037 0.000 0.930 165 T HN 0.193 nan 8.240 nan 0.000 0.447 166 Y N 2.829 123.103 120.300 -0.043 0.000 2.717 166 Y HA 0.256 4.806 4.550 -0.000 0.000 0.330 166 Y C 1.032 176.898 175.900 -0.056 0.000 1.217 166 Y CA -0.596 57.464 58.100 -0.065 0.000 1.506 166 Y CB 0.317 38.747 38.460 -0.049 0.000 1.268 166 Y HN 0.739 nan 8.280 nan 0.000 0.561 167 A N 3.901 126.314 122.820 -0.677 0.000 2.275 167 A HA 0.392 4.712 4.320 -0.000 0.000 0.212 167 A C 1.677 178.937 177.584 -0.541 0.000 1.201 167 A CA 0.647 52.375 52.037 -0.516 0.000 0.843 167 A CB -0.736 17.996 19.000 -0.446 0.000 0.873 167 A HN 1.706 nan 8.150 nan 0.000 0.492 168 G N -2.094 105.965 108.800 -1.234 0.000 2.211 168 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.201 168 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.201 168 G C 0.012 174.850 174.900 -0.104 0.000 0.997 168 G CA 0.251 45.062 45.100 -0.482 0.000 0.652 168 G HN 1.420 nan 8.290 nan 0.000 0.500 169 Y N -1.336 118.728 120.300 -0.394 0.000 2.655 169 Y HA 0.806 5.356 4.550 -0.000 0.000 0.336 169 Y C -0.173 175.792 175.900 0.109 0.000 1.154 169 Y CA -1.185 56.933 58.100 0.030 0.000 1.055 169 Y CB 1.258 39.769 38.460 0.084 0.000 1.295 169 Y HN 0.915 nan 8.280 nan 0.000 0.465 170 V N -1.584 118.483 119.914 0.255 0.000 3.141 170 V HA 0.900 5.020 4.120 -0.000 0.000 0.312 170 V C -0.967 175.079 176.094 -0.080 0.000 1.157 170 V CA -0.524 61.766 62.300 -0.017 0.000 1.041 170 V CB 1.556 33.255 31.823 -0.207 0.000 1.071 170 V HN 1.106 nan 8.190 nan 0.000 0.441 171 T N 1.096 115.411 114.554 -0.397 0.000 2.879 171 T HA 0.551 4.901 4.350 -0.000 0.000 0.290 171 T C -1.314 172.910 174.700 -0.793 0.000 0.993 171 T CA -0.209 61.512 62.100 -0.632 0.000 0.975 171 T CB 0.721 69.045 68.868 -0.907 0.000 0.981 171 T HN 0.704 nan 8.240 nan 0.000 0.439 172 W N 3.955 124.800 121.300 -0.757 0.000 2.202 172 W HA 0.593 5.253 4.660 -0.000 0.000 0.332 172 W C 0.817 176.829 176.519 -0.845 0.000 1.263 172 W CA -0.592 56.249 57.345 -0.840 0.000 1.223 172 W CB 0.709 29.704 29.460 -0.774 0.000 1.128 172 W HN 0.460 nan 8.180 nan 0.000 0.573 173 R N 2.068 122.107 120.500 -0.768 0.000 2.575 173 R HA 0.761 5.101 4.340 -0.000 0.000 0.293 173 R C -0.235 175.605 176.300 -0.767 0.000 0.983 173 R CA -0.881 54.675 56.100 -0.907 0.000 0.887 173 R CB 1.886 31.504 30.300 -1.137 0.000 1.184 173 R HN 0.623 nan 8.270 nan 0.000 0.445 174 G N 0.842 109.101 108.800 -0.902 0.000 2.718 174 G HA2 0.578 4.538 3.960 -0.000 0.000 0.295 174 G HA3 0.578 4.538 3.960 -0.000 0.000 0.295 174 G C -1.615 173.148 174.900 -0.229 0.000 1.421 174 G CA -0.496 44.304 45.100 -0.501 0.000 0.902 174 G HN 0.295 nan 8.290 nan 0.000 0.501 175 V N 0.979 120.937 119.914 0.074 0.000 2.638 175 V HA 0.586 4.706 4.120 -0.000 0.000 0.306 175 V C -0.644 175.554 176.094 0.173 0.000 1.052 175 V CA -0.654 61.703 62.300 0.095 0.000 0.885 175 V CB 1.578 33.444 31.823 0.073 0.000 0.999 175 V HN 0.653 nan 8.190 nan 0.000 0.424 176 L N 3.862 125.183 121.223 0.163 0.000 2.334 176 L HA 0.597 4.937 4.340 -0.000 0.000 0.273 176 L C 0.086 177.162 176.870 0.343 0.000 1.013 176 L CA -0.076 54.901 54.840 0.228 0.000 0.816 176 L CB 1.736 43.922 42.059 0.212 0.000 1.278 176 L HN 0.611 nan 8.230 nan 0.000 0.431 177 Q N 2.445 122.428 119.800 0.305 0.000 2.226 177 Q HA 0.439 4.779 4.340 -0.000 0.000 0.256 177 Q C -2.318 173.726 176.000 0.074 0.000 0.962 177 Q CA -2.026 53.921 55.803 0.239 0.000 0.887 177 Q CB 1.482 30.288 28.738 0.114 0.000 1.282 177 Q HN 0.290 nan 8.270 nan 0.000 0.449 178 P HA -0.096 nan 4.420 nan 0.000 0.261 178 P C 0.450 177.554 177.300 -0.326 0.000 1.173 178 P CA 1.289 63.957 63.100 -0.721 0.000 0.760 178 P CB 0.243 31.592 31.700 -0.584 0.000 0.783 179 G N 2.640 111.257 108.800 -0.306 0.000 2.199 179 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.254 179 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.254 179 G C 0.942 175.818 174.900 -0.040 0.000 0.982 179 G CA 0.119 45.136 45.100 -0.138 0.000 0.632 179 G HN 0.554 nan 8.290 nan 0.000 0.529 180 E N -0.293 119.917 120.200 0.017 0.000 2.358 180 E HA 0.270 4.620 4.350 -0.000 0.000 0.195 180 E C 1.179 177.819 176.600 0.065 0.000 1.010 180 E CA 1.027 57.461 56.400 0.057 0.000 0.856 180 E CB 0.315 30.076 29.700 0.101 0.000 0.795 180 E HN 0.893 nan 8.360 nan 0.000 0.504 181 V N -2.991 116.988 119.914 0.107 0.000 3.040 181 V HA 0.737 4.857 4.120 -0.000 0.000 0.312 181 V C -0.139 176.000 176.094 0.075 0.000 1.115 181 V CA -1.378 60.973 62.300 0.085 0.000 0.998 181 V CB 1.497 33.395 31.823 0.125 0.000 1.042 181 V HN -0.034 nan 8.190 nan 0.000 0.433 182 A N 0.911 123.748 122.820 0.029 0.000 2.507 182 A HA 0.223 4.543 4.320 -0.000 0.000 0.235 182 A C 1.000 178.623 177.584 0.065 0.000 1.070 182 A CA 0.499 52.545 52.037 0.014 0.000 0.768 182 A CB -0.303 18.684 19.000 -0.022 0.000 1.011 182 A HN 1.006 nan 8.150 nan 0.000 0.502 183 D N 0.693 121.117 120.400 0.039 0.000 2.149 183 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 183 D C 1.457 177.826 176.300 0.116 0.000 0.990 183 D CA 1.954 55.998 54.000 0.074 0.000 0.839 183 D CB -0.160 40.653 40.800 0.021 0.000 0.948 183 D HN 0.801 nan 8.370 nan 0.000 0.460 184 D N 0.143 120.573 120.400 0.052 0.000 2.224 184 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 184 D C 1.973 178.284 176.300 0.018 0.000 0.965 184 D CA 0.421 54.441 54.000 0.035 0.000 0.852 184 D CB -0.505 40.290 40.800 -0.007 0.000 0.947 184 D HN 0.129 nan 8.370 nan 0.000 0.494 185 V N -0.137 119.779 119.914 0.004 0.000 2.488 185 V HA -0.105 4.014 4.120 -0.000 0.000 0.246 185 V C 2.217 178.389 176.094 0.130 0.000 1.046 185 V CA 1.073 63.345 62.300 -0.046 0.000 1.053 185 V CB -0.750 31.036 31.823 -0.062 0.000 0.679 185 V HN 0.344 nan 8.190 nan 0.000 0.458 186 W N 1.530 122.847 121.300 0.028 0.000 2.338 186 W HA -0.199 4.461 4.660 -0.000 0.000 0.304 186 W C 2.201 178.772 176.519 0.086 0.000 1.212 186 W CA 1.997 59.390 57.345 0.080 0.000 1.264 186 W CB -0.371 29.116 29.460 0.046 0.000 1.142 186 W HN 0.351 nan 8.180 nan 0.000 0.512 187 N N -0.224 118.647 118.700 0.285 0.000 2.244 187 N HA -0.214 4.526 4.740 -0.000 0.000 0.183 187 N C 1.406 176.950 175.510 0.058 0.000 1.016 187 N CA 1.429 54.585 53.050 0.178 0.000 0.866 187 N CB -1.287 37.291 38.487 0.151 0.000 0.980 187 N HN 0.265 nan 8.380 nan 0.000 0.430 188 Y N 0.060 120.255 120.300 -0.175 0.000 2.165 188 Y HA -0.203 4.347 4.550 -0.000 0.000 0.286 188 Y C 1.401 177.025 175.900 -0.459 0.000 1.155 188 Y CA 1.684 59.556 58.100 -0.380 0.000 1.164 188 Y CB -0.196 37.881 38.460 -0.639 0.000 0.978 188 Y HN -0.065 nan 8.280 nan 0.000 0.513 189 F N -1.001 118.888 119.950 -0.102 0.000 2.656 189 F HA 0.131 4.658 4.527 -0.000 0.000 0.291 189 F C 0.908 176.563 175.800 -0.242 0.000 1.122 189 F CA -0.100 57.758 58.000 -0.237 0.000 1.427 189 F CB -0.751 38.059 39.000 -0.316 0.000 1.125 189 F HN -0.133 nan 8.300 nan 0.000 0.583 190 N N 1.188 119.844 118.700 -0.073 0.000 2.454 190 N HA -0.025 4.715 4.740 -0.000 0.000 0.254 190 N C 0.175 175.725 175.510 0.067 0.000 1.228 190 N CA 0.833 53.852 53.050 -0.052 0.000 0.900 190 N CB 0.206 38.700 38.487 0.013 0.000 1.089 190 N HN 0.203 nan 8.380 nan 0.000 0.449 191 D N 0.032 120.517 120.400 0.142 0.000 2.981 191 D HA -0.183 4.457 4.640 -0.000 0.000 0.223 191 D C -1.249 175.202 176.300 0.253 0.000 1.151 191 D CA 1.247 55.376 54.000 0.215 0.000 0.827 191 D CB -0.784 40.114 40.800 0.163 0.000 1.101 191 D HN 0.653 nan 8.370 nan 0.000 0.426 192 K N -0.414 120.148 120.400 0.269 0.000 2.568 192 K HA 0.417 4.737 4.320 -0.000 0.000 0.273 192 K C -1.173 175.619 176.600 0.319 0.000 0.951 192 K CA -0.879 55.583 56.287 0.290 0.000 0.854 192 K CB 1.313 33.895 32.500 0.138 0.000 1.424 192 K HN 0.018 nan 8.250 nan 0.000 0.427 193 F N 1.389 121.509 119.950 0.284 0.000 2.408 193 F HA 0.376 4.903 4.527 -0.000 0.000 0.344 193 F C -0.568 175.287 175.800 0.093 0.000 1.112 193 F CA 0.164 58.261 58.000 0.162 0.000 1.096 193 F CB 1.361 40.506 39.000 0.240 0.000 1.129 193 F HN 0.286 nan 8.300 nan 0.000 0.486 194 T N 5.723 120.150 114.554 -0.212 0.000 2.824 194 T HA 0.329 4.679 4.350 -0.000 0.000 0.282 194 T C -1.377 173.344 174.700 0.036 0.000 0.993 194 T CA -0.291 61.855 62.100 0.077 0.000 0.967 194 T CB 0.588 69.615 68.868 0.265 0.000 0.960 194 T HN 0.349 nan 8.240 nan 0.000 0.441 195 Y N 1.209 121.666 120.300 0.261 0.000 2.326 195 Y HA 0.532 5.082 4.550 -0.000 0.000 0.337 195 Y C 1.000 177.086 175.900 0.311 0.000 1.023 195 Y CA -0.558 57.741 58.100 0.331 0.000 1.143 195 Y CB 1.362 40.018 38.460 0.327 0.000 1.183 195 Y HN 0.795 nan 8.280 nan 0.000 0.485 196 G N 5.416 114.414 108.800 0.329 0.000 2.415 196 G HA2 0.565 4.525 3.960 -0.000 0.000 0.317 196 G HA3 0.565 4.525 3.960 -0.000 0.000 0.317 196 G C -1.006 173.880 174.900 -0.024 0.000 1.152 196 G CA -0.586 44.412 45.100 -0.171 0.000 0.956 196 G HN 0.549 nan 8.290 nan 0.000 0.458 197 L N 2.210 123.461 121.223 0.048 0.000 2.325 197 L HA 0.610 4.949 4.340 -0.000 0.000 0.279 197 L C 0.077 176.959 176.870 0.021 0.000 1.054 197 L CA -0.689 54.199 54.840 0.080 0.000 0.804 197 L CB 1.622 43.733 42.059 0.087 0.000 1.200 197 L HN 0.257 nan 8.230 nan 0.000 0.436 198 L N 0.749 122.003 121.223 0.052 0.000 2.256 198 L HA 0.427 4.767 4.340 -0.000 0.000 0.261 198 L C 0.439 177.330 176.870 0.035 0.000 1.022 198 L CA -0.784 54.083 54.840 0.045 0.000 0.828 198 L CB 1.567 43.687 42.059 0.101 0.000 1.374 198 L HN 0.481 nan 8.230 nan 0.000 0.436 199 D N 0.338 120.757 120.400 0.032 0.000 2.264 199 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 199 D C 0.256 176.571 176.300 0.025 0.000 0.966 199 D CA 1.196 55.211 54.000 0.026 0.000 0.864 199 D CB 0.040 40.855 40.800 0.025 0.000 0.933 199 D HN 0.582 nan 8.370 nan 0.000 0.499 200 D N -1.171 119.247 120.400 0.030 0.000 2.908 200 D HA 0.401 5.041 4.640 -0.000 0.000 0.361 200 D C 0.540 176.842 176.300 0.004 0.000 1.416 200 D CA -0.725 53.274 54.000 -0.001 0.000 0.796 200 D CB 0.262 41.071 40.800 0.014 0.000 1.185 200 D HN 0.098 nan 8.370 nan 0.000 0.451 201 G N -0.079 108.750 108.800 0.048 0.000 2.359 201 G HA2 0.394 4.354 3.960 -0.000 0.000 0.293 201 G HA3 0.394 4.354 3.960 -0.000 0.000 0.293 201 G C -1.691 173.412 174.900 0.338 0.000 1.300 201 G CA -0.703 44.512 45.100 0.192 0.000 0.888 201 G HN 0.643 nan 8.290 nan 0.000 0.541 202 H N -1.579 117.676 119.070 0.308 0.000 3.014 202 H HA 0.756 5.312 4.556 -0.000 0.000 0.337 202 H C -2.050 173.560 175.328 0.470 0.000 1.320 202 H CA -0.861 55.350 56.048 0.273 0.000 1.128 202 H CB 1.158 30.997 29.762 0.129 0.000 1.862 202 H HN 0.625 nan 8.280 nan 0.000 0.536 203 L N 1.666 122.996 121.223 0.178 0.000 2.330 203 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 203 L C -0.056 176.953 176.870 0.231 0.000 1.013 203 L CA -0.904 54.020 54.840 0.140 0.000 0.816 203 L CB 1.632 43.696 42.059 0.009 0.000 1.287 203 L HN 0.657 nan 8.230 nan 0.000 0.435 204 I N -0.346 120.318 120.570 0.157 0.000 2.785 204 I HA 1.023 5.193 4.170 -0.000 0.000 0.302 204 I C -0.680 175.325 176.117 -0.188 0.000 1.069 204 I CA -0.847 60.422 61.300 -0.052 0.000 1.045 204 I CB 2.251 40.265 38.000 0.024 0.000 1.236 204 I HN 0.548 nan 8.210 nan 0.000 0.429 205 A N 3.664 126.213 122.820 -0.452 0.000 2.488 205 A HA 0.895 5.215 4.320 -0.000 0.000 0.298 205 A C -1.558 175.710 177.584 -0.527 0.000 1.044 205 A CA -0.565 51.164 52.037 -0.514 0.000 0.693 205 A CB 1.083 19.621 19.000 -0.770 0.000 1.272 205 A HN 1.288 nan 8.150 nan 0.000 0.402 206 Y N -0.020 119.909 120.300 -0.617 0.000 2.656 206 Y HA 0.839 5.389 4.550 -0.000 0.000 0.334 206 Y C -3.235 172.344 175.900 -0.536 0.000 1.179 206 Y CA -2.734 54.954 58.100 -0.687 0.000 1.050 206 Y CB 1.170 38.940 38.460 -1.150 0.000 1.308 206 Y HN 0.449 nan 8.280 nan 0.000 0.456 207 P HA 0.467 nan 4.420 nan 0.000 0.276 207 P C -0.709 176.619 177.300 0.046 0.000 1.244 207 P CA -0.064 62.968 63.100 -0.113 0.000 0.801 207 P CB 2.072 33.814 31.700 0.071 0.000 1.006 208 I N -3.349 117.268 120.570 0.078 0.000 3.095 208 I HA 0.633 4.803 4.170 -0.000 0.000 0.310 208 I C -3.083 173.145 176.117 0.186 0.000 1.196 208 I CA -3.613 57.795 61.300 0.180 0.000 0.985 208 I CB 1.987 40.044 38.000 0.095 0.000 1.250 208 I HN -0.006 nan 8.210 nan 0.000 0.446 209 P HA 0.164 nan 4.420 nan 0.000 0.272 209 P C 0.037 177.423 177.300 0.143 0.000 1.223 209 P CA 0.105 63.305 63.100 0.167 0.000 0.784 209 P CB 0.488 32.280 31.700 0.154 0.000 0.923 210 G N 1.796 110.676 108.800 0.133 0.000 2.321 210 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.237 210 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.237 210 G C 1.090 176.046 174.900 0.095 0.000 1.282 210 G CA -0.219 44.948 45.100 0.112 0.000 0.886 210 G HN 0.514 nan 8.290 nan 0.000 0.528 211 R N 0.354 120.905 120.500 0.085 0.000 2.174 211 R HA -0.123 4.217 4.340 -0.000 0.000 0.253 211 R C 0.321 176.656 176.300 0.058 0.000 1.165 211 R CA 1.537 57.678 56.100 0.068 0.000 0.984 211 R CB 0.097 30.430 30.300 0.054 0.000 0.873 211 R HN 0.532 nan 8.270 nan 0.000 0.456 212 E N -1.507 118.725 120.200 0.054 0.000 2.343 212 E HA 0.125 4.475 4.350 -0.000 0.000 0.270 212 E C 0.016 176.646 176.600 0.049 0.000 0.895 212 E CA -0.634 55.794 56.400 0.046 0.000 0.767 212 E CB 1.455 31.175 29.700 0.033 0.000 1.248 212 E HN -0.008 nan 8.360 nan 0.000 0.440 213 N N 1.361 120.087 118.700 0.045 0.000 2.217 213 N HA -0.315 4.425 4.740 -0.000 0.000 0.195 213 N C 1.331 176.868 175.510 0.044 0.000 0.950 213 N CA 2.930 56.007 53.050 0.044 0.000 0.910 213 N CB -0.274 38.233 38.487 0.033 0.000 1.073 213 N HN 0.556 nan 8.380 nan 0.000 0.663 214 A N 0.441 123.283 122.820 0.037 0.000 2.132 214 A HA 0.033 4.353 4.320 -0.000 0.000 0.213 214 A C 0.639 178.246 177.584 0.037 0.000 1.154 214 A CA 0.146 52.204 52.037 0.034 0.000 0.753 214 A CB -0.085 18.930 19.000 0.025 0.000 0.826 214 A HN 0.324 nan 8.150 nan 0.000 0.469 215 E N 0.865 121.091 120.200 0.043 0.000 2.409 215 E HA 0.265 4.615 4.350 -0.000 0.000 0.257 215 E C -0.240 176.395 176.600 0.060 0.000 1.150 215 E CA -0.200 56.227 56.400 0.045 0.000 0.942 215 E CB 0.346 30.075 29.700 0.048 0.000 0.979 215 E HN 0.262 nan 8.360 nan 0.000 0.447 216 S N 1.814 117.547 115.700 0.056 0.000 2.600 216 S HA 0.179 4.649 4.470 -0.000 0.000 0.265 216 S C -2.085 172.595 174.600 0.134 0.000 1.325 216 S CA -1.076 57.169 58.200 0.075 0.000 1.002 216 S CB 0.230 63.447 63.200 0.028 0.000 0.921 216 S HN 0.340 nan 8.310 nan 0.000 0.554 217 P HA 0.332 nan 4.420 nan 0.000 0.272 217 P C -0.311 177.219 177.300 0.384 0.000 1.240 217 P CA -0.286 62.968 63.100 0.257 0.000 0.791 217 P CB 0.577 32.445 31.700 0.281 0.000 0.978 218 R N 0.252 120.938 120.500 0.311 0.000 2.960 218 R HA 0.678 5.018 4.340 -0.000 0.000 0.249 218 R C -0.766 175.538 176.300 0.008 0.000 1.192 218 R CA -1.098 55.199 56.100 0.328 0.000 1.035 218 R CB 1.058 31.478 30.300 0.200 0.000 1.234 218 R HN 0.338 nan 8.270 nan 0.000 0.493 219 L N 1.439 122.557 121.223 -0.176 0.000 2.325 219 L HA 0.395 4.735 4.340 -0.000 0.000 0.281 219 L C -0.711 175.998 176.870 -0.268 0.000 1.004 219 L CA -0.831 53.764 54.840 -0.409 0.000 0.823 219 L CB 1.714 43.370 42.059 -0.670 0.000 1.236 219 L HN 0.568 nan 8.230 nan 0.000 0.415 220 N N 3.299 121.746 118.700 -0.421 0.000 2.473 220 N HA 0.667 5.406 4.740 -0.000 0.000 0.291 220 N C -1.123 174.133 175.510 -0.423 0.000 1.083 220 N CA -0.288 52.495 53.050 -0.445 0.000 0.951 220 N CB 1.121 39.170 38.487 -0.730 0.000 1.164 220 N HN 0.372 nan 8.380 nan 0.000 0.480 221 F N -0.258 119.434 119.950 -0.431 0.000 2.668 221 F HA 0.567 5.094 4.527 -0.000 0.000 0.309 221 F C -1.484 174.178 175.800 -0.231 0.000 1.117 221 F CA -0.847 56.928 58.000 -0.373 0.000 0.951 221 F CB 1.277 40.051 39.000 -0.376 0.000 1.323 221 F HN 0.369 nan 8.300 nan 0.000 0.451 222 Q N 1.495 121.173 119.800 -0.203 0.000 2.421 222 Q HA 0.350 4.690 4.340 -0.000 0.000 0.280 222 Q C -2.351 173.698 176.000 0.082 0.000 1.085 222 Q CA -0.720 54.909 55.803 -0.290 0.000 0.807 222 Q CB 3.221 31.722 28.738 -0.395 0.000 1.405 222 Q HN 0.799 nan 8.270 nan 0.000 0.419 223 W N 2.702 123.912 121.300 -0.149 0.000 2.647 223 W HA 0.421 5.081 4.660 -0.000 0.000 0.328 223 W C -1.929 174.559 176.519 -0.051 0.000 1.018 223 W CA -1.270 56.117 57.345 0.069 0.000 1.245 223 W CB 0.557 30.227 29.460 0.349 0.000 1.356 223 W HN 0.578 nan 8.180 nan 0.000 0.443 224 Y N 5.329 125.834 120.300 0.340 0.000 2.365 224 Y HA 0.274 4.824 4.550 -0.000 0.000 0.340 224 Y C -0.072 176.034 175.900 0.343 0.000 1.016 224 Y CA 0.045 58.279 58.100 0.223 0.000 1.196 224 Y CB 0.658 39.214 38.460 0.160 0.000 1.167 224 Y HN 0.154 nan 8.280 nan 0.000 0.509 225 W N 3.170 124.537 121.300 0.112 0.000 2.587 225 W HA 0.336 4.996 4.660 -0.000 0.000 0.324 225 W C -0.641 175.952 176.519 0.124 0.000 1.040 225 W CA -1.695 55.654 57.345 0.006 0.000 1.222 225 W CB 0.913 30.331 29.460 -0.071 0.000 1.381 225 W HN 0.415 nan 8.180 nan 0.000 0.483 226 N N 2.131 120.994 118.700 0.273 0.000 2.442 226 N HA 0.283 5.023 4.740 -0.000 0.000 0.265 226 N C -0.866 174.791 175.510 0.245 0.000 1.138 226 N CA 0.010 53.202 53.050 0.237 0.000 0.956 226 N CB 1.257 39.808 38.487 0.107 0.000 1.067 226 N HN 0.040 nan 8.380 nan 0.000 0.474 227 V N 1.141 121.244 119.914 0.315 0.000 2.525 227 V HA 0.455 4.575 4.120 -0.000 0.000 0.299 227 V C 0.164 176.426 176.094 0.280 0.000 1.034 227 V CA -1.364 61.096 62.300 0.267 0.000 0.863 227 V CB 1.547 33.529 31.823 0.264 0.000 0.999 227 V HN 0.717 nan 8.190 nan 0.000 0.423 228 A N 3.359 126.287 122.820 0.180 0.000 2.524 228 A HA 0.271 4.591 4.320 -0.000 0.000 0.250 228 A C 0.448 178.096 177.584 0.107 0.000 1.078 228 A CA 0.185 52.317 52.037 0.160 0.000 0.761 228 A CB -0.118 18.942 19.000 0.099 0.000 1.012 228 A HN 0.949 nan 8.150 nan 0.000 0.500 229 E N 1.556 121.839 120.200 0.139 0.000 2.508 229 E HA 0.310 4.660 4.350 -0.000 0.000 0.266 229 E C 1.156 177.742 176.600 -0.025 0.000 1.010 229 E CA 1.466 57.855 56.400 -0.018 0.000 0.955 229 E CB 0.241 29.988 29.700 0.079 0.000 0.946 229 E HN 1.560 nan 8.360 nan 0.000 0.454 230 G N 3.190 111.947 108.800 -0.071 0.000 2.484 230 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.225 230 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.225 230 G C -1.764 173.108 174.900 -0.046 0.000 1.250 230 G CA -0.312 44.760 45.100 -0.046 0.000 0.926 230 G HN 0.573 nan 8.290 nan 0.000 0.581 231 P HA -0.095 nan 4.420 nan 0.000 0.217 231 P C 1.258 178.549 177.300 -0.016 0.000 1.158 231 P CA 2.187 65.275 63.100 -0.021 0.000 0.887 231 P CB -0.174 31.520 31.700 -0.009 0.000 0.792 232 D N -1.250 119.150 120.400 -0.001 0.000 2.097 232 D HA -0.130 4.509 4.640 -0.000 0.000 0.195 232 D C 1.875 178.177 176.300 0.002 0.000 0.989 232 D CA 0.940 54.953 54.000 0.021 0.000 0.827 232 D CB -0.955 39.873 40.800 0.047 0.000 0.966 232 D HN 0.093 nan 8.370 nan 0.000 0.456 233 L N 0.802 121.994 121.223 -0.052 0.000 2.131 233 L HA -0.058 4.282 4.340 -0.000 0.000 0.206 233 L C 1.321 178.115 176.870 -0.127 0.000 1.087 233 L CA 1.638 56.404 54.840 -0.123 0.000 0.767 233 L CB -0.336 41.539 42.059 -0.306 0.000 0.917 233 L HN -0.190 nan 8.230 nan 0.000 0.441 234 D N -0.145 120.190 120.400 -0.109 0.000 2.123 234 D HA -0.255 4.385 4.640 -0.000 0.000 0.196 234 D C 1.988 178.249 176.300 -0.065 0.000 0.992 234 D CA 1.586 55.530 54.000 -0.094 0.000 0.833 234 D CB 0.065 40.819 40.800 -0.076 0.000 0.954 234 D HN 0.593 nan 8.370 nan 0.000 0.455 235 E N -0.176 120.002 120.200 -0.036 0.000 2.152 235 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 235 E C 2.073 178.678 176.600 0.009 0.000 0.983 235 E CA 0.173 56.565 56.400 -0.013 0.000 0.818 235 E CB 0.020 29.721 29.700 0.000 0.000 0.758 235 E HN 0.036 nan 8.360 nan 0.000 0.467 236 L N 0.526 121.755 121.223 0.010 0.000 2.056 236 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 236 L C 1.864 178.681 176.870 -0.088 0.000 1.078 236 L CA 1.545 56.388 54.840 0.005 0.000 0.749 236 L CB -0.155 41.907 42.059 0.004 0.000 0.901 236 L HN 0.225 nan 8.230 nan 0.000 0.433 237 M N -0.804 118.724 119.600 -0.121 0.000 2.563 237 M HA 0.132 4.612 4.480 -0.000 0.000 0.231 237 M C 0.224 176.452 176.300 -0.120 0.000 1.136 237 M CA 0.214 55.419 55.300 -0.158 0.000 1.026 237 M CB -1.282 31.211 32.600 -0.179 0.000 1.597 237 M HN 0.084 nan 8.290 nan 0.000 0.495 238 T N 1.757 116.262 114.554 -0.081 0.000 2.767 238 T HA 0.271 4.621 4.350 -0.000 0.000 0.288 238 T C 0.113 174.783 174.700 -0.051 0.000 0.963 238 T CA -0.881 61.181 62.100 -0.064 0.000 1.019 238 T CB 1.396 70.236 68.868 -0.048 0.000 0.923 238 T HN 0.324 nan 8.240 nan 0.000 0.468 239 D N 1.846 122.214 120.400 -0.054 0.000 2.414 239 D HA 0.024 4.664 4.640 -0.000 0.000 0.259 239 D C 1.488 177.777 176.300 -0.019 0.000 1.269 239 D CA -0.790 53.185 54.000 -0.042 0.000 1.028 239 D CB 0.151 40.921 40.800 -0.050 0.000 1.093 239 D HN 0.196 nan 8.370 nan 0.000 0.545 240 V N -0.223 119.686 119.914 -0.008 0.000 2.913 240 V HA -0.108 4.012 4.120 -0.000 0.000 0.260 240 V C 2.006 178.098 176.094 -0.003 0.000 1.098 240 V CA 1.555 63.857 62.300 0.003 0.000 1.121 240 V CB -0.632 31.198 31.823 0.012 0.000 0.714 240 V HN 0.488 nan 8.190 nan 0.000 0.487 241 R N -0.637 119.856 120.500 -0.011 0.000 2.334 241 R HA 0.274 4.614 4.340 -0.000 0.000 0.216 241 R C 1.540 177.831 176.300 -0.016 0.000 0.905 241 R CA 0.672 56.765 56.100 -0.012 0.000 1.064 241 R CB 0.352 30.645 30.300 -0.013 0.000 1.046 241 R HN 0.599 nan 8.270 nan 0.000 0.508 242 G N 0.676 109.465 108.800 -0.020 0.000 2.175 242 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.244 242 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.244 242 G C 0.082 174.964 174.900 -0.030 0.000 0.982 242 G CA -0.399 44.687 45.100 -0.024 0.000 0.641 242 G HN 0.112 nan 8.290 nan 0.000 0.527 243 I N 1.216 121.765 120.570 -0.034 0.000 2.371 243 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 243 I C 0.946 177.031 176.117 -0.053 0.000 1.028 243 I CA -1.008 60.268 61.300 -0.041 0.000 1.345 243 I CB 1.128 39.104 38.000 -0.040 0.000 1.407 243 I HN 0.301 nan 8.210 nan 0.000 0.501 244 R N 7.245 127.711 120.500 -0.056 0.000 2.248 244 R HA 0.397 4.737 4.340 -0.000 0.000 0.337 244 R C -1.115 175.136 176.300 -0.082 0.000 1.085 244 R CA -0.078 55.979 56.100 -0.072 0.000 0.934 244 R CB -0.087 30.171 30.300 -0.070 0.000 1.034 244 R HN 0.565 nan 8.270 nan 0.000 0.465 245 L N 6.986 128.150 121.223 -0.099 0.000 2.395 245 L HA 0.364 4.703 4.340 -0.000 0.000 0.269 245 L C -1.127 175.672 176.870 -0.119 0.000 1.133 245 L CA -1.970 52.806 54.840 -0.108 0.000 0.812 245 L CB 1.338 43.319 42.059 -0.129 0.000 1.125 245 L HN 0.640 nan 8.230 nan 0.000 0.452 246 P HA 0.022 nan 4.420 nan 0.000 0.224 246 P C 0.738 177.969 177.300 -0.114 0.000 1.157 246 P CA 0.770 63.811 63.100 -0.098 0.000 0.799 246 P CB 0.591 32.249 31.700 -0.070 0.000 0.809 247 T N -2.697 111.774 114.554 -0.138 0.000 3.313 247 T HA 0.178 4.528 4.350 -0.000 0.000 0.266 247 T C 0.474 175.044 174.700 -0.217 0.000 0.987 247 T CA 0.270 62.281 62.100 -0.148 0.000 1.086 247 T CB 0.130 68.930 68.868 -0.113 0.000 1.159 247 T HN -0.090 nan 8.240 nan 0.000 0.450 248 S N 0.773 116.308 115.700 -0.274 0.000 2.549 248 S HA 0.703 5.173 4.470 -0.000 0.000 0.280 248 S C -1.167 173.172 174.600 -0.435 0.000 1.109 248 S CA -0.602 57.358 58.200 -0.400 0.000 0.905 248 S CB 2.468 65.329 63.200 -0.565 0.000 1.081 248 S HN 0.139 nan 8.310 nan 0.000 0.477 249 V N 3.080 122.735 119.914 -0.430 0.000 2.350 249 V HA 0.360 4.480 4.120 -0.000 0.000 0.285 249 V C -0.444 175.433 176.094 -0.362 0.000 1.014 249 V CA -0.657 61.435 62.300 -0.345 0.000 0.831 249 V CB 0.573 32.240 31.823 -0.260 0.000 1.000 249 V HN 0.864 nan 8.190 nan 0.000 0.433 250 H N 2.957 121.855 119.070 -0.286 0.000 2.607 250 H HA 0.149 4.705 4.556 -0.000 0.000 0.367 250 H C 1.491 176.687 175.328 -0.219 0.000 1.181 250 H CA 0.292 56.075 56.048 -0.442 0.000 1.402 250 H CB 0.742 30.111 29.762 -0.655 0.000 1.474 250 H HN 0.623 nan 8.280 nan 0.000 0.596 251 N N 1.722 120.410 118.700 -0.020 0.000 2.060 251 N HA -0.236 4.503 4.740 -0.000 0.000 0.195 251 N C 1.105 176.635 175.510 0.033 0.000 1.028 251 N CA 1.823 54.903 53.050 0.050 0.000 0.861 251 N CB -0.061 38.482 38.487 0.092 0.000 1.029 251 N HN 0.737 nan 8.380 nan 0.000 0.428 252 N N -0.427 118.281 118.700 0.014 0.000 2.573 252 N HA -0.026 4.714 4.740 -0.000 0.000 0.187 252 N C 0.553 176.070 175.510 0.011 0.000 1.107 252 N CA 0.615 53.675 53.050 0.018 0.000 0.918 252 N CB -0.251 38.243 38.487 0.011 0.000 0.966 252 N HN -0.012 nan 8.380 nan 0.000 0.448 253 S N -0.565 115.136 115.700 0.001 0.000 2.629 253 S HA 0.321 4.791 4.470 -0.000 0.000 0.236 253 S C 0.293 174.888 174.600 -0.007 0.000 1.010 253 S CA -0.620 57.575 58.200 -0.008 0.000 0.981 253 S CB 0.355 63.541 63.200 -0.024 0.000 0.919 253 S HN 0.186 nan 8.310 nan 0.000 0.514 254 L N 2.761 123.990 121.223 0.010 0.000 2.456 254 L HA 0.203 4.543 4.340 -0.000 0.000 0.272 254 L C 0.792 177.686 176.870 0.041 0.000 1.189 254 L CA -0.451 54.404 54.840 0.024 0.000 0.846 254 L CB 0.179 42.277 42.059 0.065 0.000 1.111 254 L HN 0.152 nan 8.230 nan 0.000 0.475 255 N N 4.362 123.091 118.700 0.050 0.000 2.411 255 N HA -0.006 4.734 4.740 -0.000 0.000 0.265 255 N C -1.790 173.783 175.510 0.106 0.000 1.266 255 N CA -1.261 51.834 53.050 0.075 0.000 0.889 255 N CB 1.192 39.731 38.487 0.087 0.000 1.069 255 N HN 0.269 nan 8.380 nan 0.000 0.476 256 P HA -0.175 nan 4.420 nan 0.000 0.217 256 P C 0.927 178.295 177.300 0.112 0.000 1.148 256 P CA 1.374 64.529 63.100 0.092 0.000 0.834 256 P CB -0.008 31.742 31.700 0.085 0.000 0.783 257 H N -0.404 118.699 119.070 0.056 0.000 2.353 257 H HA -0.103 4.453 4.556 -0.000 0.000 0.300 257 H C 1.802 177.186 175.328 0.093 0.000 1.090 257 H CA 1.842 57.929 56.048 0.066 0.000 1.327 257 H CB -0.377 29.418 29.762 0.056 0.000 1.383 257 H HN 0.002 nan 8.280 nan 0.000 0.508 258 N N 0.304 119.101 118.700 0.162 0.000 2.166 258 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 258 N C 1.994 177.573 175.510 0.116 0.000 1.019 258 N CA 1.123 54.288 53.050 0.192 0.000 0.856 258 N CB -0.319 38.330 38.487 0.270 0.000 0.993 258 N HN 0.355 nan 8.380 nan 0.000 0.426 259 L N 1.902 123.151 121.223 0.043 0.000 2.056 259 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 259 L C 2.225 178.967 176.870 -0.213 0.000 1.078 259 L CA 1.399 56.169 54.840 -0.116 0.000 0.749 259 L CB -0.306 41.714 42.059 -0.064 0.000 0.901 259 L HN -0.019 nan 8.230 nan 0.000 0.433 260 R N -0.902 119.544 120.500 -0.091 0.000 2.091 260 R HA -0.209 4.131 4.340 -0.000 0.000 0.238 260 R C 2.309 178.576 176.300 -0.055 0.000 1.136 260 R CA 1.748 57.819 56.100 -0.047 0.000 0.959 260 R CB -0.457 29.825 30.300 -0.031 0.000 0.856 260 R HN 0.567 nan 8.270 nan 0.000 0.437 261 Q N -0.060 119.683 119.800 -0.096 0.000 2.084 261 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 261 Q C 1.918 178.006 176.000 0.146 0.000 0.978 261 Q CA 1.467 57.266 55.803 -0.007 0.000 0.844 261 Q CB -0.111 28.638 28.738 0.017 0.000 0.898 261 Q HN 0.231 nan 8.270 nan 0.000 0.426 262 F N 0.622 120.508 119.950 -0.107 0.000 2.095 262 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 262 F C 1.776 177.561 175.800 -0.026 0.000 1.104 262 F CA 2.221 60.041 58.000 -0.300 0.000 1.232 262 F CB -0.399 37.876 39.000 -1.208 0.000 0.987 262 F HN 0.218 nan 8.300 nan 0.000 0.475 263 H N -1.958 117.060 119.070 -0.086 0.000 2.363 263 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 263 H C 2.581 177.857 175.328 -0.087 0.000 1.074 263 H CA 1.059 57.015 56.048 -0.153 0.000 1.354 263 H CB -0.237 29.494 29.762 -0.051 0.000 1.397 263 H HN 0.327 nan 8.280 nan 0.000 0.516 264 S N 0.863 116.620 115.700 0.095 0.000 2.368 264 S HA -0.139 4.330 4.470 -0.000 0.000 0.224 264 S C 1.861 176.488 174.600 0.045 0.000 1.029 264 S CA 1.165 59.394 58.200 0.048 0.000 0.988 264 S CB 0.026 63.240 63.200 0.023 0.000 0.838 264 S HN 0.307 nan 8.310 nan 0.000 0.462 265 K N 0.343 120.783 120.400 0.065 0.000 2.148 265 K HA 0.038 4.358 4.320 -0.000 0.000 0.204 265 K C 2.297 179.063 176.600 0.276 0.000 1.050 265 K CA 0.980 57.337 56.287 0.117 0.000 0.942 265 K CB -0.638 31.841 32.500 -0.035 0.000 0.724 265 K HN 0.506 nan 8.250 nan 0.000 0.446 266 G N 1.425 110.367 108.800 0.236 0.000 2.448 266 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 266 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 266 G C 1.106 175.971 174.900 -0.058 0.000 1.127 266 G CA 0.535 45.659 45.100 0.040 0.000 0.766 266 G HN 0.322 nan 8.290 nan 0.000 0.552 267 E N 0.475 120.665 120.200 -0.017 0.000 2.209 267 E HA -0.085 4.265 4.350 -0.000 0.000 0.196 267 E C 2.526 179.111 176.600 -0.025 0.000 0.993 267 E CA 1.080 57.460 56.400 -0.034 0.000 0.819 267 E CB 0.032 29.721 29.700 -0.018 0.000 0.745 267 E HN 0.404 nan 8.360 nan 0.000 0.477 268 S N 0.273 115.973 115.700 0.000 0.000 2.527 268 S HA 0.061 4.531 4.470 -0.000 0.000 0.222 268 S C 0.770 175.370 174.600 -0.001 0.000 0.985 268 S CA 0.042 58.246 58.200 0.008 0.000 0.921 268 S CB 0.078 63.295 63.200 0.029 0.000 0.772 268 S HN 0.109 nan 8.310 nan 0.000 0.529 269 L N 1.283 122.478 121.223 -0.047 0.000 2.472 269 L HA 0.282 4.622 4.340 -0.000 0.000 0.260 269 L C 0.431 177.341 176.870 0.067 0.000 1.209 269 L CA -0.706 54.106 54.840 -0.046 0.000 0.817 269 L CB 0.046 41.994 42.059 -0.184 0.000 1.106 269 L HN 0.166 nan 8.230 nan 0.000 0.479 270 F N 1.502 121.444 119.950 -0.015 0.000 2.563 270 F HA -0.011 4.515 4.527 -0.000 0.000 0.363 270 F C 1.462 177.270 175.800 0.014 0.000 1.123 270 F CA -0.149 57.868 58.000 0.028 0.000 1.307 270 F CB 0.300 39.364 39.000 0.107 0.000 1.115 270 F HN 0.475 nan 8.300 nan 0.000 0.592 271 K N 5.737 125.735 120.400 -0.670 0.000 2.023 271 K HA -0.223 4.097 4.320 -0.000 0.000 0.227 271 K C -0.975 175.299 176.600 -0.543 0.000 1.054 271 K CA 2.694 58.623 56.287 -0.597 0.000 0.977 271 K CB -1.201 30.915 32.500 -0.640 0.000 0.733 271 K HN 0.570 nan 8.250 nan 0.000 0.451 272 P HA -0.168 nan 4.420 nan 0.000 0.218 272 P C 1.110 178.226 177.300 -0.307 0.000 1.148 272 P CA 1.573 64.284 63.100 -0.650 0.000 0.822 272 P CB -0.141 30.762 31.700 -1.330 0.000 0.784 273 F N 0.457 120.331 119.950 -0.127 0.000 2.128 273 F HA 0.031 4.558 4.527 -0.000 0.000 0.295 273 F C 3.009 178.605 175.800 -0.340 0.000 1.100 273 F CA 0.925 58.831 58.000 -0.157 0.000 1.260 273 F CB -1.059 37.862 39.000 -0.133 0.000 1.009 273 F HN -0.216 nan 8.300 nan 0.000 0.476 274 R N 0.792 121.222 120.500 -0.118 0.000 2.119 274 R HA -0.218 4.122 4.340 -0.000 0.000 0.246 274 R C 1.611 177.774 176.300 -0.229 0.000 1.146 274 R CA 2.355 58.338 56.100 -0.195 0.000 0.962 274 R CB -0.505 29.698 30.300 -0.161 0.000 0.863 274 R HN 0.167 nan 8.270 nan 0.000 0.442 275 D N 0.420 120.683 120.400 -0.228 0.000 2.144 275 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 275 D C 2.017 178.171 176.300 -0.244 0.000 0.978 275 D CA 0.989 54.865 54.000 -0.207 0.000 0.833 275 D CB -0.145 40.549 40.800 -0.177 0.000 0.961 275 D HN 0.288 nan 8.370 nan 0.000 0.470 276 L N 0.214 121.210 121.223 -0.379 0.000 2.012 276 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 276 L C 2.463 178.994 176.870 -0.564 0.000 1.073 276 L CA 0.867 55.317 54.840 -0.649 0.000 0.748 276 L CB -0.547 40.757 42.059 -1.259 0.000 0.891 276 L HN -0.019 nan 8.230 nan 0.000 0.431 277 V N -0.059 119.570 119.914 -0.474 0.000 2.453 277 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 277 V C 2.265 178.308 176.094 -0.085 0.000 1.048 277 V CA 1.378 63.533 62.300 -0.241 0.000 1.049 277 V CB -0.206 31.356 31.823 -0.435 0.000 0.672 277 V HN 0.349 nan 8.190 nan 0.000 0.457 278 L N -0.110 121.003 121.223 -0.185 0.000 2.341 278 L HA 0.032 4.372 4.340 -0.000 0.000 0.214 278 L C 1.945 178.707 176.870 -0.180 0.000 1.115 278 L CA 0.908 55.589 54.840 -0.265 0.000 0.820 278 L CB -0.405 41.495 42.059 -0.263 0.000 0.944 278 L HN 0.377 nan 8.230 nan 0.000 0.452 279 N N 0.351 119.003 118.700 -0.081 0.000 2.325 279 N HA 0.120 4.860 4.740 -0.000 0.000 0.182 279 N C 0.728 176.290 175.510 0.086 0.000 1.088 279 N CA 0.156 53.196 53.050 -0.017 0.000 0.879 279 N CB 0.506 38.977 38.487 -0.026 0.000 0.983 279 N HN 0.118 nan 8.380 nan 0.000 0.471 280 A N 1.201 124.130 122.820 0.183 0.000 2.540 280 A HA 0.131 4.451 4.320 -0.000 0.000 0.239 280 A C 1.411 179.141 177.584 0.242 0.000 1.061 280 A CA 0.115 52.320 52.037 0.280 0.000 0.758 280 A CB 0.277 19.567 19.000 0.483 0.000 0.991 280 A HN 0.317 nan 8.150 nan 0.000 0.502 281 S N 0.983 116.800 115.700 0.194 0.000 2.458 281 S HA 0.062 4.532 4.470 -0.000 0.000 0.223 281 S C 0.656 175.359 174.600 0.172 0.000 1.019 281 S CA 0.863 59.161 58.200 0.163 0.000 0.937 281 S CB 0.099 63.373 63.200 0.123 0.000 0.788 281 S HN 0.721 nan 8.310 nan 0.000 0.511 282 S N 3.192 119.004 115.700 0.186 0.000 2.300 282 S HA 0.405 4.875 4.470 -0.000 0.000 0.172 282 S C -2.822 171.909 174.600 0.217 0.000 1.484 282 S CA -1.052 57.258 58.200 0.182 0.000 1.265 282 S CB 1.135 64.434 63.200 0.165 0.000 1.313 282 S HN 0.480 nan 8.310 nan 0.000 0.387 283 P HA 0.468 nan 4.420 nan 0.000 0.272 283 P C -0.603 176.798 177.300 0.167 0.000 1.223 283 P CA -0.247 62.900 63.100 0.077 0.000 0.784 283 P CB 0.484 32.139 31.700 -0.075 0.000 0.923 284 F N -0.302 119.576 119.950 -0.120 0.000 2.745 284 F HA 0.712 5.239 4.527 -0.000 0.000 0.316 284 F C -2.031 173.393 175.800 -0.627 0.000 1.155 284 F CA -1.334 56.490 58.000 -0.293 0.000 0.937 284 F CB 1.013 39.827 39.000 -0.309 0.000 1.361 284 F HN 0.254 nan 8.300 nan 0.000 0.472 285 V N 0.477 119.907 119.914 -0.806 0.000 2.823 285 V HA 0.846 4.966 4.120 -0.000 0.000 0.312 285 V C -1.276 174.372 176.094 -0.744 0.000 1.072 285 V CA -0.148 61.412 62.300 -1.233 0.000 0.937 285 V CB 2.331 33.039 31.823 -1.859 0.000 1.013 285 V HN 1.064 nan 8.190 nan 0.000 0.430 286 T N 4.373 118.511 114.554 -0.693 0.000 2.971 286 T HA 0.415 4.764 4.350 -0.000 0.000 0.304 286 T C -0.631 173.857 174.700 -0.352 0.000 1.038 286 T CA -0.198 61.642 62.100 -0.434 0.000 1.007 286 T CB 1.550 70.198 68.868 -0.366 0.000 1.055 286 T HN 1.113 nan 8.240 nan 0.000 0.451 287 V N 1.997 121.771 119.914 -0.233 0.000 2.963 287 V HA 0.605 4.725 4.120 -0.000 0.000 0.306 287 V C 0.046 176.066 176.094 -0.122 0.000 1.077 287 V CA -0.349 61.885 62.300 -0.110 0.000 1.124 287 V CB 0.551 32.371 31.823 -0.005 0.000 0.987 287 V HN 0.596 nan 8.190 nan 0.000 0.487 288 V N 4.481 124.292 119.914 -0.171 0.000 2.383 288 V HA 0.824 4.943 4.120 -0.000 0.000 0.275 288 V C 0.513 176.441 176.094 -0.277 0.000 1.036 288 V CA 0.468 62.584 62.300 -0.305 0.000 0.889 288 V CB 0.380 31.822 31.823 -0.635 0.000 0.985 288 V HN 1.483 nan 8.190 nan 0.000 0.459 289 A N 4.375 127.105 122.820 -0.150 0.000 2.574 289 A HA 0.864 5.184 4.320 -0.000 0.000 0.297 289 A C -1.404 176.154 177.584 -0.043 0.000 1.062 289 A CA -0.710 51.281 52.037 -0.078 0.000 0.686 289 A CB 1.943 20.943 19.000 -0.000 0.000 1.285 289 A HN 0.875 nan 8.150 nan 0.000 0.403 290 D N -0.111 120.278 120.400 -0.019 0.000 2.531 290 D HA 0.854 5.494 4.640 -0.000 0.000 0.244 290 D C -0.435 175.884 176.300 0.033 0.000 1.090 290 D CA -0.130 53.880 54.000 0.018 0.000 0.989 290 D CB 1.854 42.672 40.800 0.029 0.000 1.433 290 D HN 1.241 nan 8.370 nan 0.000 0.492 291 A N -0.541 122.311 122.820 0.053 0.000 2.612 291 A HA 0.751 5.071 4.320 -0.000 0.000 0.293 291 A C -0.860 176.773 177.584 0.082 0.000 1.075 291 A CA -0.617 51.454 52.037 0.057 0.000 0.680 291 A CB 1.873 20.902 19.000 0.049 0.000 1.279 291 A HN 0.631 nan 8.150 nan 0.000 0.411 292 T N -0.665 113.939 114.554 0.083 0.000 2.864 292 T HA 0.755 5.105 4.350 -0.000 0.000 0.289 292 T C -1.745 173.027 174.700 0.120 0.000 1.082 292 T CA -0.331 61.842 62.100 0.122 0.000 1.009 292 T CB 1.580 70.516 68.868 0.113 0.000 1.234 292 T HN 1.454 nan 8.240 nan 0.000 0.526 293 V N 1.758 121.779 119.914 0.178 0.000 2.924 293 V HA 0.343 4.463 4.120 -0.000 0.000 0.300 293 V C -0.508 175.722 176.094 0.228 0.000 1.227 293 V CA -0.556 61.847 62.300 0.172 0.000 0.954 293 V CB 2.455 34.372 31.823 0.157 0.000 1.055 293 V HN 1.014 nan 8.190 nan 0.000 0.429 294 D N 2.480 122.986 120.400 0.177 0.000 2.249 294 D HA 0.107 4.747 4.640 -0.000 0.000 0.205 294 D C 0.591 176.957 176.300 0.112 0.000 0.962 294 D CA 0.745 54.841 54.000 0.160 0.000 0.860 294 D CB 0.349 41.212 40.800 0.104 0.000 0.955 294 D HN 0.194 nan 8.370 nan 0.000 0.505 295 R N -0.353 120.208 120.500 0.101 0.000 2.744 295 R HA 0.459 4.799 4.340 -0.000 0.000 0.279 295 R C 0.536 176.861 176.300 0.042 0.000 0.977 295 R CA -0.392 55.693 56.100 -0.025 0.000 0.906 295 R CB 1.269 31.440 30.300 -0.214 0.000 1.197 295 R HN -0.063 nan 8.270 nan 0.000 0.463 296 M N 0.250 119.838 119.600 -0.019 0.000 2.308 296 M HA 0.232 4.712 4.480 -0.000 0.000 0.269 296 M C -0.113 176.300 176.300 0.188 0.000 1.040 296 M CA 0.284 55.658 55.300 0.124 0.000 1.024 296 M CB 1.070 33.678 32.600 0.012 0.000 1.465 296 M HN 0.019 nan 8.290 nan 0.000 0.517 297 V N 1.450 121.336 119.914 -0.046 0.000 2.370 297 V HA 0.252 4.372 4.120 -0.000 0.000 0.283 297 V C -0.556 175.342 176.094 -0.326 0.000 1.023 297 V CA -0.520 61.780 62.300 -0.000 0.000 0.857 297 V CB 0.826 32.706 31.823 0.095 0.000 0.985 297 V HN 0.231 nan 8.190 nan 0.000 0.443 298 H N 4.103 123.271 119.070 0.163 0.000 2.569 298 H HA 0.408 4.964 4.556 -0.000 0.000 0.247 298 H C 0.856 176.252 175.328 0.113 0.000 1.346 298 H CA 0.432 56.550 56.048 0.117 0.000 1.502 298 H CB 1.387 31.206 29.762 0.095 0.000 1.512 298 H HN 0.900 nan 8.280 nan 0.000 0.502 299 G N 2.570 111.468 108.800 0.165 0.000 2.675 299 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.312 299 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.312 299 G C 0.951 175.952 174.900 0.169 0.000 1.186 299 G CA 0.405 45.579 45.100 0.123 0.000 0.965 299 G HN 0.538 nan 8.290 nan 0.000 0.548 300 R N -0.301 120.256 120.500 0.095 0.000 2.468 300 R HA 0.468 4.808 4.340 -0.000 0.000 0.280 300 R C -0.259 176.202 176.300 0.269 0.000 0.963 300 R CA 0.064 56.208 56.100 0.072 0.000 1.083 300 R CB 1.061 31.162 30.300 -0.332 0.000 1.200 300 R HN 0.259 nan 8.270 nan 0.000 0.541 301 V N 2.178 122.247 119.914 0.258 0.000 2.459 301 V HA 0.414 4.534 4.120 -0.000 0.000 0.295 301 V C -0.370 175.914 176.094 0.317 0.000 1.029 301 V CA -0.756 61.694 62.300 0.251 0.000 0.874 301 V CB 1.910 33.834 31.823 0.169 0.000 0.985 301 V HN 0.102 nan 8.190 nan 0.000 0.438 302 L N 5.411 126.815 121.223 0.301 0.000 2.342 302 L HA 0.669 5.009 4.340 -0.000 0.000 0.271 302 L C -0.767 176.286 176.870 0.304 0.000 1.008 302 L CA -0.566 54.471 54.840 0.328 0.000 0.818 302 L CB 1.924 44.141 42.059 0.262 0.000 1.296 302 L HN 0.369 nan 8.230 nan 0.000 0.427 303 L N 4.249 125.679 121.223 0.344 0.000 2.322 303 L HA 0.685 5.025 4.340 -0.000 0.000 0.281 303 L C -0.395 176.646 176.870 0.284 0.000 1.014 303 L CA -0.538 54.459 54.840 0.261 0.000 0.815 303 L CB 1.707 43.900 42.059 0.224 0.000 1.247 303 L HN 0.575 nan 8.230 nan 0.000 0.421 304 I N -0.750 119.956 120.570 0.227 0.000 3.074 304 I HA 0.979 5.149 4.170 -0.000 0.000 0.310 304 I C 0.546 176.745 176.117 0.136 0.000 1.153 304 I CA -0.590 60.839 61.300 0.215 0.000 0.993 304 I CB 1.988 40.147 38.000 0.266 0.000 1.237 304 I HN 0.684 nan 8.210 nan 0.000 0.443 305 G N 2.706 111.569 108.800 0.104 0.000 2.569 305 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.259 305 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.259 305 G C 0.094 175.036 174.900 0.069 0.000 1.263 305 G CA 0.685 45.830 45.100 0.076 0.000 0.928 305 G HN 0.857 nan 8.290 nan 0.000 0.572 306 D N 0.807 121.251 120.400 0.073 0.000 2.384 306 D HA 0.201 4.841 4.640 -0.000 0.000 0.222 306 D C 2.392 178.735 176.300 0.072 0.000 0.976 306 D CA 1.657 55.700 54.000 0.071 0.000 0.915 306 D CB -0.430 40.413 40.800 0.073 0.000 0.896 306 D HN 0.857 nan 8.370 nan 0.000 0.523 307 A N -0.153 122.715 122.820 0.080 0.000 2.132 307 A HA 0.381 4.701 4.320 -0.000 0.000 0.213 307 A C 1.951 179.587 177.584 0.087 0.000 1.154 307 A CA 1.007 53.092 52.037 0.080 0.000 0.753 307 A CB 0.081 19.134 19.000 0.088 0.000 0.826 307 A HN 0.212 nan 8.150 nan 0.000 0.469 308 A N -0.453 122.421 122.820 0.090 0.000 2.109 308 A HA 0.461 4.781 4.320 -0.000 0.000 0.220 308 A C 0.629 178.261 177.584 0.080 0.000 1.613 308 A CA 0.744 52.833 52.037 0.088 0.000 0.620 308 A CB -0.650 18.388 19.000 0.063 0.000 1.212 308 A HN 0.326 nan 8.150 nan 0.000 0.508 309 V N 1.735 121.689 119.914 0.067 0.000 2.383 309 V HA 0.364 4.483 4.120 -0.000 0.000 0.275 309 V C -0.360 175.793 176.094 0.099 0.000 1.036 309 V CA -0.254 62.104 62.300 0.097 0.000 0.889 309 V CB 0.928 32.815 31.823 0.105 0.000 0.985 309 V HN 0.488 nan 8.190 nan 0.000 0.459 310 T N 8.910 123.523 114.554 0.100 0.000 2.733 310 T HA 0.383 4.733 4.350 -0.000 0.000 0.294 310 T C -2.291 172.479 174.700 0.116 0.000 0.956 310 T CA -0.841 61.313 62.100 0.091 0.000 0.987 310 T CB 1.498 70.404 68.868 0.065 0.000 0.920 310 T HN 0.527 nan 8.240 nan 0.000 0.470 311 P HA 0.473 nan 4.420 nan 0.000 0.284 311 P C -0.628 176.749 177.300 0.128 0.000 1.292 311 P CA -0.956 62.277 63.100 0.222 0.000 0.800 311 P CB 1.453 33.386 31.700 0.389 0.000 1.188 312 R N -0.143 120.419 120.500 0.104 0.000 2.732 312 R HA 0.415 4.754 4.340 -0.000 0.000 0.278 312 R C -1.752 174.541 176.300 -0.012 0.000 0.976 312 R CA -1.755 54.347 56.100 0.003 0.000 0.963 312 R CB 0.540 30.853 30.300 0.021 0.000 1.150 312 R HN 0.287 nan 8.270 nan 0.000 0.478 313 P HA -0.025 nan 4.420 nan 0.000 0.242 313 P C 0.303 177.612 177.300 0.015 0.000 1.197 313 P CA 0.768 63.862 63.100 -0.009 0.000 0.765 313 P CB 0.164 31.892 31.700 0.047 0.000 0.936 314 H N 0.116 119.273 119.070 0.146 0.000 2.423 314 H HA 0.094 4.650 4.556 -0.000 0.000 0.297 314 H C 1.613 177.066 175.328 0.208 0.000 1.075 314 H CA 1.522 57.659 56.048 0.147 0.000 1.342 314 H CB -0.490 29.293 29.762 0.035 0.000 1.395 314 H HN 0.139 nan 8.280 nan 0.000 0.530 315 A N 0.290 123.258 122.820 0.245 0.000 2.307 315 A HA 0.490 4.810 4.320 -0.000 0.000 0.218 315 A C 1.458 179.165 177.584 0.206 0.000 1.228 315 A CA 0.571 52.791 52.037 0.305 0.000 0.857 315 A CB -0.172 18.928 19.000 0.167 0.000 0.897 315 A HN 0.370 nan 8.150 nan 0.000 0.495 316 A N -1.927 120.925 122.820 0.054 0.000 2.745 316 A HA 0.011 4.331 4.320 -0.000 0.000 0.296 316 A C 1.038 178.614 177.584 -0.012 0.000 1.500 316 A CA 1.320 53.258 52.037 -0.166 0.000 0.766 316 A CB -1.740 16.713 19.000 -0.912 0.000 1.030 316 A HN 1.988 nan 8.150 nan 0.000 0.489 317 A N -1.397 121.537 122.820 0.190 0.000 2.661 317 A HA 0.599 4.918 4.320 -0.000 0.000 0.278 317 A C 1.912 179.421 177.584 -0.125 0.000 1.090 317 A CA 1.102 53.179 52.037 0.067 0.000 0.969 317 A CB -0.559 18.522 19.000 0.134 0.000 1.240 317 A HN 1.908 nan 8.150 nan 0.000 0.578 318 G N 0.900 109.687 108.800 -0.022 0.000 2.529 318 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.219 318 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.219 318 G C 1.508 176.381 174.900 -0.044 0.000 1.177 318 G CA 1.534 46.595 45.100 -0.066 0.000 0.773 318 G HN 0.833 nan 8.290 nan 0.000 0.573 319 G N 0.681 109.499 108.800 0.031 0.000 2.448 319 G HA2 0.117 4.077 3.960 -0.000 0.000 0.219 319 G HA3 0.117 4.077 3.960 -0.000 0.000 0.219 319 G C 1.940 176.857 174.900 0.028 0.000 1.127 319 G CA 1.427 46.560 45.100 0.055 0.000 0.766 319 G HN 0.707 nan 8.290 nan 0.000 0.552 320 A N 0.547 123.367 122.820 -0.000 0.000 1.929 320 A HA 0.102 4.422 4.320 -0.000 0.000 0.216 320 A C 2.173 179.732 177.584 -0.042 0.000 1.176 320 A CA 1.858 53.895 52.037 0.000 0.000 0.628 320 A CB -0.326 18.684 19.000 0.015 0.000 0.816 320 A HN 0.356 nan 8.150 nan 0.000 0.444 321 K N -0.148 120.172 120.400 -0.134 0.000 2.097 321 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 321 K C 2.090 178.657 176.600 -0.054 0.000 1.049 321 K CA 1.176 57.369 56.287 -0.157 0.000 0.933 321 K CB -0.276 32.036 32.500 -0.313 0.000 0.717 321 K HN 0.371 nan 8.250 nan 0.000 0.442 322 A N 0.368 123.176 122.820 -0.021 0.000 1.930 322 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 322 A C 2.132 179.749 177.584 0.055 0.000 1.175 322 A CA 1.780 53.837 52.037 0.033 0.000 0.627 322 A CB -0.407 18.625 19.000 0.053 0.000 0.815 322 A HN 0.318 nan 8.150 nan 0.000 0.443 323 S N -0.380 115.349 115.700 0.048 0.000 2.371 323 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 323 S C 1.755 176.400 174.600 0.076 0.000 1.029 323 S CA 1.412 59.651 58.200 0.065 0.000 0.978 323 S CB -0.388 62.859 63.200 0.078 0.000 0.833 323 S HN 0.742 nan 8.310 nan 0.000 0.466 324 D N 1.225 121.659 120.400 0.057 0.000 2.097 324 D HA -0.143 4.496 4.640 -0.000 0.000 0.195 324 D C 1.453 177.822 176.300 0.115 0.000 0.989 324 D CA 1.315 55.350 54.000 0.058 0.000 0.827 324 D CB -0.157 40.651 40.800 0.014 0.000 0.966 324 D HN 0.112 nan 8.370 nan 0.000 0.456 325 D N -0.182 120.287 120.400 0.116 0.000 2.133 325 D HA -0.210 4.430 4.640 -0.000 0.000 0.192 325 D C 1.974 178.460 176.300 0.310 0.000 1.001 325 D CA 1.651 55.791 54.000 0.234 0.000 0.844 325 D CB -0.642 40.260 40.800 0.170 0.000 0.944 325 D HN 0.334 nan 8.370 nan 0.000 0.447 326 A N 0.474 123.400 122.820 0.176 0.000 1.902 326 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 326 A C 2.191 179.834 177.584 0.098 0.000 1.181 326 A CA 1.836 53.944 52.037 0.118 0.000 0.623 326 A CB -0.454 18.583 19.000 0.061 0.000 0.818 326 A HN 0.175 nan 8.150 nan 0.000 0.443 327 R N -0.310 120.258 120.500 0.114 0.000 2.057 327 R HA -0.117 4.223 4.340 -0.000 0.000 0.229 327 R C 2.420 178.781 176.300 0.101 0.000 1.136 327 R CA 2.240 58.404 56.100 0.106 0.000 0.952 327 R CB -0.703 29.667 30.300 0.117 0.000 0.848 327 R HN 0.599 nan 8.270 nan 0.000 0.430 328 T N 0.013 114.665 114.554 0.164 0.000 2.759 328 T HA -0.182 4.168 4.350 -0.000 0.000 0.269 328 T C 1.849 176.566 174.700 0.027 0.000 1.042 328 T CA 1.243 63.470 62.100 0.212 0.000 1.140 328 T CB -0.357 68.757 68.868 0.411 0.000 0.864 328 T HN 0.204 nan 8.240 nan 0.000 0.455 329 L N 1.831 123.008 121.223 -0.077 0.000 2.027 329 L HA 0.301 4.640 4.340 -0.000 0.000 0.206 329 L C 2.940 179.623 176.870 -0.312 0.000 1.074 329 L CA 1.763 56.221 54.840 -0.636 0.000 0.745 329 L CB -1.349 40.374 42.059 -0.561 0.000 0.898 329 L HN 0.332 nan 8.230 nan 0.000 0.433 330 A N -0.714 122.066 122.820 -0.067 0.000 1.917 330 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 330 A C 2.162 179.749 177.584 0.005 0.000 1.182 330 A CA 2.090 54.147 52.037 0.033 0.000 0.633 330 A CB -0.775 18.248 19.000 0.039 0.000 0.819 330 A HN 0.617 nan 8.150 nan 0.000 0.448 331 E N -0.606 119.578 120.200 -0.028 0.000 2.118 331 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 331 E C 1.957 178.495 176.600 -0.104 0.000 0.992 331 E CA 1.300 57.683 56.400 -0.028 0.000 0.804 331 E CB -0.306 29.397 29.700 0.004 0.000 0.741 331 E HN 0.416 nan 8.360 nan 0.000 0.458 332 V N 0.436 120.193 119.914 -0.262 0.000 2.295 332 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 332 V C 1.822 177.662 176.094 -0.423 0.000 1.049 332 V CA 1.738 63.782 62.300 -0.427 0.000 1.024 332 V CB -0.434 30.926 31.823 -0.771 0.000 0.648 332 V HN 0.222 nan 8.190 nan 0.000 0.447 333 F N 0.204 120.003 119.950 -0.251 0.000 2.456 333 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 333 F C 2.436 178.167 175.800 -0.115 0.000 1.104 333 F CA 1.314 59.181 58.000 -0.221 0.000 1.435 333 F CB -1.205 37.639 39.000 -0.260 0.000 1.078 333 F HN 0.085 nan 8.300 nan 0.000 0.546 334 T N -0.092 114.503 114.554 0.069 0.000 2.668 334 T HA -0.229 4.121 4.350 -0.000 0.000 0.262 334 T C 2.048 176.764 174.700 0.025 0.000 1.045 334 T CA 1.621 63.749 62.100 0.047 0.000 1.152 334 T CB -0.243 68.647 68.868 0.037 0.000 0.864 334 T HN 0.155 nan 8.240 nan 0.000 0.419 335 K N 1.263 121.662 120.400 -0.001 0.000 2.057 335 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 335 K C 0.721 177.336 176.600 0.024 0.000 1.050 335 K CA 1.316 57.607 56.287 0.006 0.000 0.935 335 K CB -0.202 32.299 32.500 0.001 0.000 0.715 335 K HN 0.279 nan 8.250 nan 0.000 0.439 336 N N 0.480 119.184 118.700 0.006 0.000 2.708 336 N HA -0.242 4.498 4.740 -0.000 0.000 0.255 336 N C -1.815 173.761 175.510 0.111 0.000 1.046 336 N CA 0.836 53.910 53.050 0.040 0.000 0.715 336 N CB -1.431 37.094 38.487 0.064 0.000 0.895 336 N HN 0.527 nan 8.380 nan 0.000 0.545 337 H N 1.537 120.582 119.070 -0.041 0.000 3.177 337 H HA 0.358 4.914 4.556 -0.000 0.000 0.314 337 H C -0.923 174.387 175.328 -0.030 0.000 1.059 337 H CA 0.010 56.045 56.048 -0.022 0.000 1.515 337 H CB 0.323 30.073 29.762 -0.020 0.000 1.672 337 H HN 0.345 nan 8.280 nan 0.000 0.514 338 D N 4.629 124.990 120.400 -0.064 0.000 3.082 338 D HA -0.190 4.450 4.640 -0.000 0.000 0.234 338 D C 0.496 176.738 176.300 -0.097 0.000 1.159 338 D CA 0.892 54.823 54.000 -0.116 0.000 0.875 338 D CB -0.725 39.928 40.800 -0.245 0.000 0.946 338 D HN 0.704 nan 8.370 nan 0.000 0.411 339 L N 1.140 122.327 121.223 -0.060 0.000 2.043 339 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 339 L C 2.735 179.544 176.870 -0.103 0.000 1.075 339 L CA 1.917 56.665 54.840 -0.154 0.000 0.752 339 L CB -0.311 41.678 42.059 -0.116 0.000 0.891 339 L HN 0.334 nan 8.230 nan 0.000 0.432 340 R N -0.018 120.498 120.500 0.027 0.000 2.083 340 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 340 R C 2.303 178.603 176.300 0.000 0.000 1.137 340 R CA 1.669 57.803 56.100 0.057 0.000 0.951 340 R CB -0.592 29.759 30.300 0.087 0.000 0.851 340 R HN 0.406 nan 8.270 nan 0.000 0.434 341 G N -0.866 107.916 108.800 -0.031 0.000 2.421 341 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 341 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 341 G C 1.415 176.285 174.900 -0.049 0.000 1.171 341 G CA 0.965 46.038 45.100 -0.043 0.000 0.775 341 G HN 0.380 nan 8.290 nan 0.000 0.543 342 S N 0.666 116.312 115.700 -0.090 0.000 2.382 342 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 342 S C 2.278 176.850 174.600 -0.047 0.000 1.027 342 S CA 0.873 59.019 58.200 -0.090 0.000 0.991 342 S CB -0.245 62.857 63.200 -0.163 0.000 0.823 342 S HN 0.286 nan 8.310 nan 0.000 0.469 343 L N 1.169 122.337 121.223 -0.091 0.000 2.093 343 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 343 L C 2.754 179.717 176.870 0.156 0.000 1.085 343 L CA 1.083 55.925 54.840 0.005 0.000 0.755 343 L CB -0.523 41.476 42.059 -0.100 0.000 0.904 343 L HN 0.313 nan 8.230 nan 0.000 0.435 344 Q N -0.459 119.382 119.800 0.069 0.000 2.030 344 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 344 Q C 2.426 178.453 176.000 0.045 0.000 0.986 344 Q CA 2.093 57.928 55.803 0.053 0.000 0.843 344 Q CB -0.171 28.580 28.738 0.023 0.000 0.904 344 Q HN 0.412 nan 8.270 nan 0.000 0.420 345 S N 0.191 115.916 115.700 0.042 0.000 2.383 345 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 345 S C 1.221 175.854 174.600 0.056 0.000 1.030 345 S CA 1.289 59.509 58.200 0.032 0.000 1.002 345 S CB -0.455 62.760 63.200 0.026 0.000 0.829 345 S HN 0.530 nan 8.310 nan 0.000 0.467 346 W N 3.142 124.391 121.300 -0.086 0.000 2.354 346 W HA -0.201 4.459 4.660 -0.000 0.000 0.315 346 W C 2.244 178.722 176.519 -0.069 0.000 1.206 346 W CA 1.735 59.027 57.345 -0.087 0.000 1.290 346 W CB -0.503 28.882 29.460 -0.125 0.000 1.152 346 W HN 0.476 nan 8.180 nan 0.000 0.489 347 E N -0.877 119.180 120.200 -0.238 0.000 2.150 347 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 347 E C 1.850 178.226 176.600 -0.374 0.000 0.985 347 E CA 1.883 57.958 56.400 -0.541 0.000 0.814 347 E CB -0.944 28.630 29.700 -0.212 0.000 0.752 347 E HN 0.166 nan 8.360 nan 0.000 0.466 348 T N 1.146 115.577 114.554 -0.206 0.000 2.652 348 T HA -0.217 4.132 4.350 -0.000 0.000 0.267 348 T C 1.817 176.410 174.700 -0.179 0.000 1.039 348 T CA 1.640 63.652 62.100 -0.147 0.000 1.153 348 T CB -0.308 68.516 68.868 -0.074 0.000 0.863 348 T HN 0.225 nan 8.240 nan 0.000 0.428 349 R N 0.641 121.027 120.500 -0.189 0.000 2.082 349 R HA -0.141 4.198 4.340 -0.000 0.000 0.234 349 R C 2.477 178.623 176.300 -0.257 0.000 1.136 349 R CA 1.506 57.499 56.100 -0.178 0.000 0.935 349 R CB -0.212 30.006 30.300 -0.137 0.000 0.842 349 R HN 0.325 nan 8.270 nan 0.000 0.430 350 Q N 0.502 120.045 119.800 -0.429 0.000 2.170 350 Q HA -0.122 4.218 4.340 -0.000 0.000 0.203 350 Q C 2.280 178.047 176.000 -0.388 0.000 0.976 350 Q CA 1.104 56.633 55.803 -0.457 0.000 0.858 350 Q CB -0.212 28.064 28.738 -0.769 0.000 0.907 350 Q HN 0.433 nan 8.270 nan 0.000 0.433 351 L N 0.445 121.422 121.223 -0.410 0.000 2.027 351 L HA -0.203 4.136 4.340 -0.000 0.000 0.206 351 L C 2.745 179.313 176.870 -0.503 0.000 1.074 351 L CA 1.369 55.911 54.840 -0.497 0.000 0.745 351 L CB -0.464 41.347 42.059 -0.412 0.000 0.898 351 L HN 0.263 nan 8.230 nan 0.000 0.433 352 Q N 0.064 119.713 119.800 -0.253 0.000 2.050 352 Q HA -0.310 4.030 4.340 -0.000 0.000 0.202 352 Q C 2.249 178.207 176.000 -0.069 0.000 0.980 352 Q CA 2.057 57.799 55.803 -0.102 0.000 0.840 352 Q CB -0.109 28.599 28.738 -0.049 0.000 0.898 352 Q HN 0.490 nan 8.270 nan 0.000 0.424 353 Q N -0.577 119.166 119.800 -0.095 0.000 2.045 353 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 353 Q C 1.947 177.941 176.000 -0.010 0.000 0.991 353 Q CA 1.972 57.751 55.803 -0.041 0.000 0.851 353 Q CB -0.551 28.145 28.738 -0.070 0.000 0.911 353 Q HN 0.519 nan 8.270 nan 0.000 0.418 354 G N -0.695 108.041 108.800 -0.107 0.000 2.440 354 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 354 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 354 G C 0.868 175.817 174.900 0.082 0.000 1.154 354 G CA 1.225 46.293 45.100 -0.053 0.000 0.767 354 G HN 0.578 nan 8.290 nan 0.000 0.552 355 H N 0.282 119.389 119.070 0.063 0.000 2.389 355 H HA 0.164 4.719 4.556 -0.000 0.000 0.299 355 H C 2.935 178.314 175.328 0.084 0.000 1.081 355 H CA 0.528 56.615 56.048 0.066 0.000 1.345 355 H CB 0.147 29.931 29.762 0.036 0.000 1.393 355 H HN 0.440 nan 8.280 nan 0.000 0.520 356 A N 0.650 123.592 122.820 0.204 0.000 1.898 356 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 356 A C 2.062 179.752 177.584 0.176 0.000 1.181 356 A CA 1.266 53.398 52.037 0.158 0.000 0.620 356 A CB -0.941 18.134 19.000 0.124 0.000 0.819 356 A HN 0.550 nan 8.150 nan 0.000 0.442 357 Y N -0.412 119.940 120.300 0.086 0.000 2.224 357 Y HA -0.172 4.378 4.550 -0.000 0.000 0.289 357 Y C 2.055 178.022 175.900 0.111 0.000 1.146 357 Y CA 1.703 59.861 58.100 0.095 0.000 1.182 357 Y CB -0.057 38.449 38.460 0.077 0.000 0.983 357 Y HN 0.290 nan 8.280 nan 0.000 0.524 358 L N 0.816 122.145 121.223 0.177 0.000 2.044 358 L HA -0.196 4.144 4.340 -0.000 0.000 0.205 358 L C 1.857 178.753 176.870 0.044 0.000 1.075 358 L CA 1.755 56.660 54.840 0.108 0.000 0.747 358 L CB -1.089 41.071 42.059 0.168 0.000 0.903 358 L HN 0.197 nan 8.230 nan 0.000 0.435 359 N N 0.208 118.947 118.700 0.066 0.000 2.104 359 N HA -0.254 4.486 4.740 -0.000 0.000 0.190 359 N C 1.808 177.341 175.510 0.037 0.000 1.024 359 N CA 1.577 54.658 53.050 0.051 0.000 0.853 359 N CB -0.305 38.219 38.487 0.062 0.000 1.008 359 N HN 0.483 nan 8.380 nan 0.000 0.424 360 K N 1.411 121.819 120.400 0.013 0.000 2.002 360 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 360 K C 1.946 178.542 176.600 -0.007 0.000 1.048 360 K CA 1.718 58.019 56.287 0.023 0.000 0.930 360 K CB -0.073 32.427 32.500 -0.001 0.000 0.714 360 K HN 0.094 nan 8.250 nan 0.000 0.438 361 V N -0.892 118.953 119.914 -0.115 0.000 2.626 361 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 361 V C 1.992 178.119 176.094 0.055 0.000 1.067 361 V CA 1.483 63.767 62.300 -0.027 0.000 1.081 361 V CB -0.617 31.157 31.823 -0.082 0.000 0.686 361 V HN 0.243 nan 8.190 nan 0.000 0.468 362 K N 0.745 121.167 120.400 0.036 0.000 2.026 362 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 362 K C 2.310 178.915 176.600 0.009 0.000 1.048 362 K CA 1.876 58.192 56.287 0.048 0.000 0.929 362 K CB -0.251 32.278 32.500 0.049 0.000 0.713 362 K HN 0.380 nan 8.250 nan 0.000 0.439 363 K N 1.163 121.575 120.400 0.021 0.000 2.057 363 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 363 K C 1.933 178.471 176.600 -0.103 0.000 1.049 363 K CA 1.437 57.745 56.287 0.035 0.000 0.931 363 K CB -0.054 32.538 32.500 0.152 0.000 0.714 363 K HN 0.059 nan 8.250 nan 0.000 0.440 364 M N -0.466 119.017 119.600 -0.195 0.000 2.080 364 M HA -0.158 4.322 4.480 -0.000 0.000 0.260 364 M C 2.186 178.137 176.300 -0.582 0.000 1.068 364 M CA 1.869 56.874 55.300 -0.490 0.000 1.109 364 M CB -0.391 32.025 32.600 -0.306 0.000 1.342 364 M HN 0.269 nan 8.290 nan 0.000 0.405 365 A N 0.063 122.593 122.820 -0.482 0.000 2.019 365 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 365 A C 2.239 179.619 177.584 -0.341 0.000 1.164 365 A CA 2.034 53.739 52.037 -0.553 0.000 0.644 365 A CB -0.838 18.050 19.000 -0.187 0.000 0.805 365 A HN 0.607 nan 8.150 nan 0.000 0.449 366 S N -1.155 114.446 115.700 -0.166 0.000 2.489 366 S HA -0.035 4.435 4.470 -0.000 0.000 0.228 366 S C 1.897 176.483 174.600 -0.024 0.000 0.995 366 S CA 0.569 58.767 58.200 -0.004 0.000 0.934 366 S CB -0.163 63.037 63.200 -0.000 0.000 0.771 366 S HN 0.496 nan 8.310 nan 0.000 0.522 367 R N 1.107 121.493 120.500 -0.189 0.000 2.075 367 R HA 0.362 4.702 4.340 -0.000 0.000 0.220 367 R C 2.239 178.337 176.300 -0.337 0.000 1.118 367 R CA 0.769 56.756 56.100 -0.189 0.000 0.986 367 R CB -1.315 28.883 30.300 -0.171 0.000 0.884 367 R HN 0.418 nan 8.270 nan 0.000 0.439 368 L N 1.169 122.013 121.223 -0.632 0.000 2.291 368 L HA -0.058 4.282 4.340 -0.000 0.000 0.214 368 L C 1.682 178.207 176.870 -0.575 0.000 1.120 368 L CA 0.882 55.201 54.840 -0.869 0.000 0.799 368 L CB -0.093 41.131 42.059 -1.392 0.000 0.925 368 L HN 0.039 nan 8.230 nan 0.000 0.446 369 Q N -1.145 118.308 119.800 -0.579 0.000 2.280 369 Q HA 0.091 4.431 4.340 -0.000 0.000 0.201 369 Q C 0.367 175.897 176.000 -0.783 0.000 0.890 369 Q CA 0.521 55.926 55.803 -0.662 0.000 0.947 369 Q CB 0.505 28.673 28.738 -0.950 0.000 1.081 369 Q HN 0.553 nan 8.270 nan 0.000 0.502 370 H N -1.726 117.255 119.070 -0.148 0.000 3.124 370 H HA 0.205 4.761 4.556 -0.000 0.000 0.250 370 H C 0.726 176.014 175.328 -0.066 0.000 1.184 370 H CA 0.294 56.290 56.048 -0.087 0.000 1.013 370 H CB 0.946 30.657 29.762 -0.084 0.000 1.891 370 H HN 0.258 nan 8.280 nan 0.000 0.687 371 G N 1.572 110.363 108.800 -0.015 0.000 2.233 371 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.270 371 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.270 371 G C 0.862 175.767 174.900 0.008 0.000 1.011 371 G CA 0.445 45.542 45.100 -0.006 0.000 0.762 371 G HN 0.659 nan 8.290 nan 0.000 0.511 372 G N -0.290 108.511 108.800 0.002 0.000 2.606 372 G HA2 0.569 4.529 3.960 -0.000 0.000 0.252 372 G HA3 0.569 4.529 3.960 -0.000 0.000 0.252 372 G C 0.692 175.619 174.900 0.045 0.000 1.206 372 G CA 0.750 45.863 45.100 0.022 0.000 0.861 372 G HN 1.667 nan 8.290 nan 0.000 0.561 373 S N -0.808 114.935 115.700 0.072 0.000 2.510 373 S HA 0.368 4.838 4.470 -0.000 0.000 0.279 373 S C -0.748 173.972 174.600 0.201 0.000 1.284 373 S CA -0.388 57.869 58.200 0.095 0.000 1.059 373 S CB 0.489 63.722 63.200 0.056 0.000 0.901 373 S HN 0.538 nan 8.310 nan 0.000 0.491 374 F N 2.758 122.692 119.950 -0.027 0.000 2.824 374 F HA 0.413 4.940 4.527 -0.000 0.000 0.375 374 F C -0.900 174.841 175.800 -0.098 0.000 1.190 374 F CA -0.838 57.143 58.000 -0.032 0.000 1.180 374 F CB 1.032 39.921 39.000 -0.184 0.000 1.477 374 F HN 0.619 nan 8.300 nan 0.000 0.542 375 E N 5.291 125.334 120.200 -0.263 0.000 2.259 375 E HA 0.349 4.698 4.350 -0.000 0.000 0.281 375 E C -2.547 173.684 176.600 -0.615 0.000 1.027 375 E CA -2.293 53.902 56.400 -0.341 0.000 0.838 375 E CB 0.108 29.671 29.700 -0.229 0.000 1.066 375 E HN 0.278 nan 8.360 nan 0.000 0.401 376 P HA 0.024 nan 4.420 nan 0.000 0.260 376 P C 0.624 177.665 177.300 -0.432 0.000 1.185 376 P CA 1.141 63.610 63.100 -1.052 0.000 0.763 376 P CB 0.430 31.731 31.700 -0.665 0.000 0.776 377 G N 2.609 111.264 108.800 -0.242 0.000 2.157 377 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.248 377 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.248 377 G C 0.445 175.260 174.900 -0.143 0.000 0.979 377 G CA -0.341 44.709 45.100 -0.082 0.000 0.650 377 G HN 0.660 nan 8.290 nan 0.000 0.529 378 N N 1.662 120.211 118.700 -0.251 0.000 2.418 378 N HA 0.190 4.929 4.740 -0.000 0.000 0.277 378 N C -0.020 175.333 175.510 -0.262 0.000 1.317 378 N CA -1.099 51.763 53.050 -0.313 0.000 0.922 378 N CB 1.075 39.273 38.487 -0.482 0.000 1.194 378 N HN 0.198 nan 8.380 nan 0.000 0.485 379 P HA -0.156 nan 4.420 nan 0.000 0.218 379 P C 0.746 177.971 177.300 -0.125 0.000 1.148 379 P CA 1.125 64.157 63.100 -0.114 0.000 0.822 379 P CB 0.035 31.679 31.700 -0.093 0.000 0.784 380 A N -1.312 121.346 122.820 -0.270 0.000 2.125 380 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 380 A C 1.346 178.872 177.584 -0.096 0.000 1.156 380 A CA 1.165 53.035 52.037 -0.280 0.000 0.671 380 A CB -1.194 17.497 19.000 -0.514 0.000 0.794 380 A HN 0.118 nan 8.150 nan 0.000 0.459 381 F N -1.114 118.780 119.950 -0.093 0.000 2.688 381 F HA 0.504 5.031 4.527 -0.000 0.000 0.310 381 F C 1.191 176.946 175.800 -0.075 0.000 1.098 381 F CA -1.039 56.910 58.000 -0.085 0.000 1.228 381 F CB -0.785 38.043 39.000 -0.288 0.000 1.042 381 F HN 0.161 nan 8.300 nan 0.000 0.557 382 A N 0.459 123.335 122.820 0.093 0.000 2.445 382 A HA 0.346 4.666 4.320 -0.000 0.000 0.242 382 A C 0.103 177.748 177.584 0.101 0.000 1.075 382 A CA -0.217 51.835 52.037 0.025 0.000 0.777 382 A CB -0.092 18.983 19.000 0.125 0.000 1.013 382 A HN 0.049 nan 8.150 nan 0.000 0.493 383 F N 0.742 120.683 119.950 -0.015 0.000 2.586 383 F HA 0.442 4.969 4.527 -0.000 0.000 0.335 383 F C 1.390 177.261 175.800 0.117 0.000 1.210 383 F CA 0.703 58.626 58.000 -0.129 0.000 1.359 383 F CB -0.470 38.106 39.000 -0.707 0.000 1.142 383 F HN 1.188 nan 8.300 nan 0.000 0.606 384 G N 0.237 109.268 108.800 0.386 0.000 2.515 384 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.686 384 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.686 384 G C -1.475 173.636 174.900 0.352 0.000 1.274 384 G CA -1.264 44.045 45.100 0.349 0.000 0.874 384 G HN 0.649 nan 8.290 nan 0.000 0.631 385 L N 1.389 122.767 121.223 0.259 0.000 2.426 385 L HA 0.368 4.708 4.340 -0.000 0.000 0.271 385 L C -1.441 175.554 176.870 0.208 0.000 1.169 385 L CA -1.493 53.488 54.840 0.235 0.000 0.836 385 L CB 0.496 42.611 42.059 0.093 0.000 1.112 385 L HN 0.391 nan 8.230 nan 0.000 0.465 386 P HA 0.097 nan 4.420 nan 0.000 0.271 386 P C -1.013 176.344 177.300 0.094 0.000 1.216 386 P CA -0.425 62.760 63.100 0.141 0.000 0.776 386 P CB 0.343 32.124 31.700 0.136 0.000 0.881 387 K N 1.280 121.723 120.400 0.073 0.000 2.491 387 K HA 0.068 4.388 4.320 -0.000 0.000 0.279 387 K C 0.610 177.232 176.600 0.036 0.000 1.026 387 K CA 0.007 56.323 56.287 0.048 0.000 1.070 387 K CB 0.184 32.707 32.500 0.038 0.000 0.887 387 K HN 0.167 nan 8.250 nan 0.000 0.481 388 V N 1.636 121.564 119.914 0.023 0.000 3.137 388 V HA -0.038 4.082 4.120 -0.000 0.000 0.236 388 V C 0.223 176.319 176.094 0.003 0.000 1.260 388 V CA 0.608 62.913 62.300 0.010 0.000 1.244 388 V CB 0.384 32.206 31.823 -0.003 0.000 1.016 388 V HN 0.741 nan 8.190 nan 0.000 0.477 389 D N 1.081 121.483 120.400 0.003 0.000 2.358 389 D HA 0.181 4.820 4.640 -0.000 0.000 0.244 389 D C 0.177 176.480 176.300 0.005 0.000 1.163 389 D CA -0.117 53.884 54.000 0.002 0.000 0.945 389 D CB 0.719 41.519 40.800 0.001 0.000 1.152 389 D HN 0.334 nan 8.370 nan 0.000 0.451 390 E N 0.470 120.672 120.200 0.004 0.000 2.442 390 E HA 0.067 4.417 4.350 -0.000 0.000 0.262 390 E C -2.118 174.485 176.600 0.005 0.000 1.004 390 E CA -1.083 55.319 56.400 0.004 0.000 0.928 390 E CB 0.331 30.033 29.700 0.003 0.000 0.937 390 E HN 0.052 nan 8.360 nan 0.000 0.446 391 P HA 0.068 nan 4.420 nan 0.000 0.271 391 P C -1.358 175.944 177.300 0.004 0.000 1.216 391 P CA -0.207 62.896 63.100 0.005 0.000 0.776 391 P CB 1.211 32.914 31.700 0.005 0.000 0.881 392 S N 0.544 116.246 115.700 0.004 0.000 2.704 392 S HA 0.510 4.980 4.470 -0.000 0.000 0.305 392 S C -0.179 174.423 174.600 0.003 0.000 1.107 392 S CA -0.987 57.216 58.200 0.004 0.000 0.993 392 S CB 0.844 64.047 63.200 0.005 0.000 1.110 392 S HN 0.160 nan 8.310 nan 0.000 0.534 393 V N 2.111 122.027 119.914 0.003 0.000 2.470 393 V HA 0.168 4.287 4.120 -0.000 0.000 0.276 393 V C 0.934 177.029 176.094 0.003 0.000 1.040 393 V CA -0.373 61.928 62.300 0.002 0.000 1.008 393 V CB 0.992 32.816 31.823 0.002 0.000 0.990 393 V HN 0.751 nan 8.190 nan 0.000 0.477 394 V N 0.000 119.914 119.914 0.000 0.000 2.409 394 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 394 V CA 0.000 62.300 62.300 0.000 0.000 1.235 394 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 394 V HN 0.000 nan 8.190 nan 0.000 0.556