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 3gr4_1_A DATA FIRST_RESID 13 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSPPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RLNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVEVGS KIYVDDGLIS LQVKQKGADF LVTEVENGGS LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKASDVH EVRKVLGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE MIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAIYHL QLFEELRRLA PITSDPTEAT DATA SEQUENCE AVGAVEASFK CCSGAIIVLT KSGRSAHQVA RYRPRAPIIA VTRNPQTARQ DATA SEQUENCE AHLYRGIFPV LCKDPVQEAW AEDVDLRVNF AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.147 176.117 0.050 0.000 1.063 13 I CA 0.000 61.336 61.300 0.061 0.000 1.566 13 I CB 0.000 38.028 38.000 0.046 0.000 1.214 14 Q N 1.741 121.552 119.800 0.019 0.000 2.482 14 Q HA 0.173 4.498 4.340 -0.024 0.000 0.209 14 Q C 0.930 176.942 176.000 0.020 0.000 0.961 14 Q CA 1.372 57.180 55.803 0.007 0.000 0.945 14 Q CB -0.682 28.050 28.738 -0.010 0.000 1.012 14 Q HN 0.669 nan 8.270 nan 0.000 0.515 15 T N -4.892 109.681 114.554 0.032 0.000 2.916 15 T HA 0.440 4.776 4.350 -0.024 0.000 0.292 15 T C 0.089 174.817 174.700 0.048 0.000 1.064 15 T CA 0.118 62.239 62.100 0.033 0.000 1.011 15 T CB 1.397 70.282 68.868 0.028 0.000 1.152 15 T HN 0.483 nan 8.240 nan 0.000 0.510 16 Q N 0.818 120.647 119.800 0.047 0.000 2.468 16 Q HA -0.218 4.107 4.340 -0.024 0.000 0.256 16 Q C -0.241 175.812 176.000 0.089 0.000 0.984 16 Q CA 0.629 56.469 55.803 0.063 0.000 1.110 16 Q CB -1.549 27.223 28.738 0.058 0.000 1.527 16 Q HN 0.784 nan 8.270 nan 0.000 0.535 17 Q N -2.239 117.606 119.800 0.076 0.000 2.457 17 Q HA -0.239 4.086 4.340 -0.024 0.000 0.283 17 Q C 0.623 176.697 176.000 0.123 0.000 1.234 17 Q CA 1.478 57.330 55.803 0.082 0.000 0.877 17 Q CB -1.990 26.791 28.738 0.072 0.000 1.250 17 Q HN 0.687 nan 8.270 nan 0.000 0.481 18 L N -1.362 119.935 121.223 0.122 0.000 2.217 18 L HA -0.146 4.179 4.340 -0.024 0.000 0.211 18 L C 2.249 179.215 176.870 0.161 0.000 1.107 18 L CA 1.290 56.211 54.840 0.135 0.000 0.783 18 L CB -0.353 41.769 42.059 0.106 0.000 0.919 18 L HN 0.324 nan 8.230 nan 0.000 0.442 19 H N 0.586 119.685 119.070 0.047 0.000 2.326 19 H HA -0.107 4.433 4.556 -0.026 0.000 0.301 19 H C 2.165 177.521 175.328 0.045 0.000 1.081 19 H CA 1.547 57.616 56.048 0.035 0.000 1.334 19 H CB 0.061 29.826 29.762 0.006 0.000 1.385 19 H HN 0.226 nan 8.280 nan 0.000 0.504 20 A N 0.694 123.487 122.820 -0.045 0.000 2.019 20 A HA -0.042 4.263 4.320 -0.024 0.000 0.219 20 A C 2.569 180.278 177.584 0.208 0.000 1.164 20 A CA 1.553 53.518 52.037 -0.121 0.000 0.644 20 A CB -1.187 17.614 19.000 -0.332 0.000 0.805 20 A HN 0.607 nan 8.150 nan 0.000 0.449 21 A N -0.800 122.165 122.820 0.242 0.000 1.972 21 A HA -0.042 4.263 4.320 -0.024 0.000 0.219 21 A C 2.053 179.780 177.584 0.238 0.000 1.169 21 A CA 1.657 53.886 52.037 0.320 0.000 0.635 21 A CB -0.436 18.706 19.000 0.235 0.000 0.810 21 A HN 0.520 nan 8.150 nan 0.000 0.446 22 M N -0.154 119.530 119.600 0.140 0.000 2.561 22 M HA 0.213 4.678 4.480 -0.024 0.000 0.238 22 M C 0.933 177.285 176.300 0.086 0.000 1.131 22 M CA 0.041 55.396 55.300 0.092 0.000 1.046 22 M CB -0.068 32.572 32.600 0.067 0.000 1.532 22 M HN 0.377 nan 8.290 nan 0.000 0.497 23 A N 0.877 123.762 122.820 0.109 0.000 2.531 23 A HA -0.023 4.283 4.320 -0.024 0.000 0.236 23 A C 0.533 178.224 177.584 0.177 0.000 1.062 23 A CA 0.044 52.121 52.037 0.066 0.000 0.760 23 A CB 0.132 19.121 19.000 -0.019 0.000 0.995 23 A HN 0.349 nan 8.150 nan 0.000 0.501 24 D N 0.174 120.636 120.400 0.103 0.000 2.348 24 D HA 0.038 4.663 4.640 -0.024 0.000 0.211 24 D C 0.786 177.183 176.300 0.161 0.000 0.998 24 D CA 1.569 55.646 54.000 0.128 0.000 0.873 24 D CB 0.086 40.926 40.800 0.067 0.000 0.925 24 D HN 0.736 nan 8.370 nan 0.000 0.524 25 T N -3.516 111.101 114.554 0.105 0.000 2.906 25 T HA 0.307 4.642 4.350 -0.024 0.000 0.295 25 T C 0.576 175.205 174.700 -0.118 0.000 1.075 25 T CA -0.892 61.256 62.100 0.080 0.000 1.005 25 T CB 1.505 70.395 68.868 0.038 0.000 1.136 25 T HN -0.152 nan 8.240 nan 0.000 0.498 26 F N 0.923 120.736 119.950 -0.230 0.000 2.186 26 F HA 0.052 4.559 4.527 -0.033 0.000 0.299 26 F C 1.891 177.559 175.800 -0.220 0.000 1.090 26 F CA 0.993 58.737 58.000 -0.426 0.000 1.307 26 F CB -0.160 38.725 39.000 -0.193 0.000 1.019 26 F HN 0.515 nan 8.300 nan 0.000 0.489 27 L N 1.002 122.173 121.223 -0.088 0.000 2.012 27 L HA -0.211 4.114 4.340 -0.024 0.000 0.210 27 L C 2.238 178.973 176.870 -0.224 0.000 1.073 27 L CA 2.313 57.069 54.840 -0.139 0.000 0.748 27 L CB -1.218 40.826 42.059 -0.024 0.000 0.891 27 L HN 0.255 nan 8.230 nan 0.000 0.431 28 E N -1.466 118.624 120.200 -0.183 0.000 2.150 28 E HA -0.271 4.065 4.350 -0.024 0.000 0.193 28 E C 2.222 178.668 176.600 -0.257 0.000 0.985 28 E CA 1.420 57.715 56.400 -0.176 0.000 0.814 28 E CB -0.302 29.331 29.700 -0.111 0.000 0.752 28 E HN 0.712 nan 8.360 nan 0.000 0.466 29 H N -0.144 118.638 119.070 -0.481 0.000 2.289 29 H HA -0.131 4.406 4.556 -0.033 0.000 0.296 29 H C 1.898 176.926 175.328 -0.500 0.000 1.091 29 H CA 2.641 58.353 56.048 -0.561 0.000 1.274 29 H CB -0.161 29.002 29.762 -1.000 0.000 1.364 29 H HN 0.186 nan 8.280 nan 0.000 0.490 30 M N -0.824 118.384 119.600 -0.654 0.000 2.080 30 M HA -0.224 4.242 4.480 -0.024 0.000 0.260 30 M C 2.587 178.683 176.300 -0.340 0.000 1.068 30 M CA 1.638 56.623 55.300 -0.525 0.000 1.109 30 M CB -0.409 31.927 32.600 -0.441 0.000 1.342 30 M HN 0.416 nan 8.290 nan 0.000 0.405 31 C N -0.041 119.098 119.300 -0.268 0.000 2.410 31 C HA -0.126 4.320 4.460 -0.024 0.000 0.281 31 C C 2.491 177.391 174.990 -0.150 0.000 1.318 31 C CA 0.906 59.822 59.018 -0.171 0.000 1.776 31 C CB -1.305 26.358 27.740 -0.128 0.000 1.942 31 C HN 0.452 nan 8.230 nan 0.000 0.508 32 R N -0.280 120.096 120.500 -0.207 0.000 2.334 32 R HA 0.239 4.564 4.340 -0.024 0.000 0.216 32 R C 0.133 176.352 176.300 -0.135 0.000 0.905 32 R CA -0.163 55.854 56.100 -0.138 0.000 1.064 32 R CB -0.012 30.145 30.300 -0.240 0.000 1.046 32 R HN 0.476 nan 8.270 nan 0.000 0.508 33 L N 2.052 123.142 121.223 -0.222 0.000 2.540 33 L HA -0.019 4.306 4.340 -0.024 0.000 0.276 33 L C -0.085 176.732 176.870 -0.089 0.000 1.212 33 L CA 0.427 55.158 54.840 -0.182 0.000 0.893 33 L CB 0.145 42.075 42.059 -0.216 0.000 1.138 33 L HN -0.052 nan 8.230 nan 0.000 0.491 34 D N 3.465 123.833 120.400 -0.053 0.000 2.505 34 D HA 0.204 4.830 4.640 -0.024 0.000 0.250 34 D C 0.750 177.039 176.300 -0.020 0.000 1.164 34 D CA -0.563 53.423 54.000 -0.024 0.000 0.870 34 D CB 1.354 42.155 40.800 0.001 0.000 1.160 34 D HN 0.452 nan 8.370 nan 0.000 0.549 35 I N -0.122 120.436 120.570 -0.021 0.000 2.916 35 I HA 0.019 4.174 4.170 -0.024 0.000 0.267 35 I C 0.217 176.328 176.117 -0.010 0.000 1.263 35 I CA 0.843 62.133 61.300 -0.016 0.000 1.471 35 I CB 0.211 38.201 38.000 -0.017 0.000 1.089 35 I HN 0.028 nan 8.210 nan 0.000 0.468 36 D N 1.106 121.501 120.400 -0.009 0.000 2.368 36 D HA 0.101 4.727 4.640 -0.024 0.000 0.218 36 D C 0.446 176.745 176.300 -0.002 0.000 1.112 36 D CA 0.316 54.313 54.000 -0.006 0.000 0.834 36 D CB 0.590 41.385 40.800 -0.010 0.000 0.953 36 D HN 0.230 nan 8.370 nan 0.000 0.505 37 S N 2.190 117.891 115.700 0.002 0.000 2.466 37 S HA 0.363 4.819 4.470 -0.024 0.000 0.313 37 S C -2.637 171.972 174.600 0.014 0.000 1.078 37 S CA -1.499 56.708 58.200 0.011 0.000 1.115 37 S CB 0.674 63.886 63.200 0.020 0.000 1.006 37 S HN -0.164 nan 8.310 nan 0.000 0.487 38 P HA 0.344 nan 4.420 nan 0.000 0.275 38 P C -2.634 174.679 177.300 0.021 0.000 1.228 38 P CA -1.586 61.523 63.100 0.015 0.000 0.786 38 P CB 0.009 31.718 31.700 0.015 0.000 0.927 39 P HA 0.159 nan 4.420 nan 0.000 0.274 39 P C 0.338 177.650 177.300 0.020 0.000 1.256 39 P CA -0.343 62.769 63.100 0.020 0.000 0.795 39 P CB 0.442 32.145 31.700 0.006 0.000 1.038 40 I N -2.121 118.459 120.570 0.016 0.000 3.437 40 I HA 0.048 4.203 4.170 -0.024 0.000 0.274 40 I C 1.090 177.220 176.117 0.021 0.000 1.215 40 I CA -0.169 61.138 61.300 0.011 0.000 1.215 40 I CB -0.734 37.254 38.000 -0.021 0.000 1.441 40 I HN 0.174 nan 8.210 nan 0.000 0.677 41 T N 1.838 116.417 114.554 0.041 0.000 2.812 41 T HA 0.082 4.417 4.350 -0.024 0.000 0.264 41 T C 1.014 175.777 174.700 0.106 0.000 1.042 41 T CA 1.041 63.206 62.100 0.108 0.000 1.140 41 T CB -0.275 68.705 68.868 0.186 0.000 0.870 41 T HN 0.749 nan 8.240 nan 0.000 0.445 42 A N 2.249 125.008 122.820 -0.102 0.000 2.477 42 A HA 0.446 4.752 4.320 -0.024 0.000 0.246 42 A C 0.522 178.155 177.584 0.081 0.000 1.078 42 A CA -0.218 51.664 52.037 -0.259 0.000 0.770 42 A CB 0.174 18.539 19.000 -1.059 0.000 1.011 42 A HN 0.232 nan 8.150 nan 0.000 0.494 43 R N 2.552 123.243 120.500 0.318 0.000 2.393 43 R HA 0.233 4.558 4.340 -0.024 0.000 0.315 43 R C -0.690 175.718 176.300 0.179 0.000 0.952 43 R CA -0.587 55.625 56.100 0.186 0.000 0.842 43 R CB 0.821 31.188 30.300 0.111 0.000 1.163 43 R HN 0.846 nan 8.270 nan 0.000 0.450 44 N N 1.149 119.906 118.700 0.094 0.000 2.368 44 N HA -0.001 4.725 4.740 -0.024 0.000 0.176 44 N C -0.314 175.145 175.510 -0.084 0.000 1.021 44 N CA 0.724 53.768 53.050 -0.010 0.000 0.888 44 N CB 0.364 38.906 38.487 0.092 0.000 0.995 44 N HN 0.467 nan 8.380 nan 0.000 0.437 45 T N 0.948 115.482 114.554 -0.033 0.000 2.761 45 T HA 0.372 4.707 4.350 -0.024 0.000 0.296 45 T C 0.737 175.410 174.700 -0.044 0.000 0.934 45 T CA -0.544 61.538 62.100 -0.030 0.000 1.091 45 T CB 1.021 69.882 68.868 -0.012 0.000 0.896 45 T HN 0.114 nan 8.240 nan 0.000 0.515 46 G N 2.824 111.595 108.800 -0.048 0.000 2.441 46 G HA2 0.461 4.406 3.960 -0.024 0.000 0.243 46 G HA3 0.461 4.406 3.960 -0.024 0.000 0.243 46 G C -0.338 174.537 174.900 -0.042 0.000 1.281 46 G CA -0.523 44.546 45.100 -0.052 0.000 0.854 46 G HN 0.768 nan 8.290 nan 0.000 0.560 47 I N 2.046 122.584 120.570 -0.054 0.000 2.355 47 I HA 0.280 4.436 4.170 -0.024 0.000 0.288 47 I C -0.163 175.937 176.117 -0.029 0.000 0.999 47 I CA -0.430 60.853 61.300 -0.027 0.000 1.163 47 I CB 1.650 39.644 38.000 -0.009 0.000 1.316 47 I HN 0.222 nan 8.210 nan 0.000 0.454 48 I N 5.880 126.455 120.570 0.008 0.000 2.321 48 I HA 0.322 4.478 4.170 -0.024 0.000 0.291 48 I C -0.584 175.568 176.117 0.058 0.000 0.998 48 I CA -0.353 60.979 61.300 0.054 0.000 1.227 48 I CB 1.170 39.239 38.000 0.115 0.000 1.368 48 I HN 0.519 nan 8.210 nan 0.000 0.466 49 C N 4.105 123.438 119.300 0.055 0.000 2.345 49 C HA 0.408 4.853 4.460 -0.024 0.000 0.323 49 C C 0.653 175.689 174.990 0.077 0.000 1.276 49 C CA -0.605 58.447 59.018 0.057 0.000 1.543 49 C CB 1.072 28.834 27.740 0.037 0.000 2.211 49 C HN 0.673 nan 8.230 nan 0.000 0.493 50 T N 5.084 119.691 114.554 0.088 0.000 2.814 50 T HA 0.329 4.664 4.350 -0.024 0.000 0.297 50 T C 0.199 174.956 174.700 0.096 0.000 0.956 50 T CA 0.016 62.179 62.100 0.105 0.000 1.123 50 T CB 0.077 69.013 68.868 0.114 0.000 0.902 50 T HN 0.363 nan 8.240 nan 0.000 0.528 51 I N 2.998 123.634 120.570 0.109 0.000 2.392 51 I HA 0.695 4.850 4.170 -0.024 0.000 0.295 51 I C 0.867 177.068 176.117 0.140 0.000 0.985 51 I CA -0.244 61.118 61.300 0.104 0.000 1.221 51 I CB 0.914 38.970 38.000 0.092 0.000 1.366 51 I HN 0.828 nan 8.210 nan 0.000 0.467 52 G N 6.152 115.024 108.800 0.120 0.000 2.664 52 G HA2 0.428 4.373 3.960 -0.024 0.000 0.303 52 G HA3 0.428 4.373 3.960 -0.024 0.000 0.303 52 G C -2.634 172.339 174.900 0.123 0.000 1.243 52 G CA -0.298 44.897 45.100 0.158 0.000 0.826 52 G HN 0.256 nan 8.290 nan 0.000 0.498 53 P HA -0.024 nan 4.420 nan 0.000 0.217 53 P C 1.805 179.128 177.300 0.038 0.000 1.148 53 P CA 2.294 65.446 63.100 0.087 0.000 0.828 53 P CB 0.102 31.837 31.700 0.058 0.000 0.783 54 A N -0.750 122.086 122.820 0.027 0.000 2.167 54 A HA 0.013 4.319 4.320 -0.024 0.000 0.214 54 A C 1.680 179.271 177.584 0.013 0.000 1.151 54 A CA 1.553 53.594 52.037 0.008 0.000 0.735 54 A CB -0.698 18.301 19.000 -0.001 0.000 0.802 54 A HN 0.323 nan 8.150 nan 0.000 0.467 55 S N -2.089 113.626 115.700 0.026 0.000 2.993 55 S HA 0.191 4.646 4.470 -0.024 0.000 0.257 55 S C 1.042 175.656 174.600 0.023 0.000 0.997 55 S CA 0.128 58.344 58.200 0.026 0.000 1.191 55 S CB -0.222 63.000 63.200 0.037 0.000 1.143 55 S HN 0.567 nan 8.310 nan 0.000 0.655 56 R N 2.603 123.110 120.500 0.012 0.000 2.246 56 R HA 0.186 4.512 4.340 -0.024 0.000 0.199 56 R C 0.696 176.979 176.300 -0.028 0.000 0.984 56 R CA 0.865 56.956 56.100 -0.015 0.000 1.015 56 R CB -0.043 30.232 30.300 -0.042 0.000 0.930 56 R HN 0.459 nan 8.270 nan 0.000 0.475 57 S N -0.429 115.261 115.700 -0.017 0.000 2.572 57 S HA 0.038 4.494 4.470 -0.024 0.000 0.279 57 S C 1.446 176.043 174.600 -0.005 0.000 1.341 57 S CA -0.609 57.581 58.200 -0.017 0.000 1.043 57 S CB 1.747 64.940 63.200 -0.012 0.000 0.887 57 S HN -0.004 nan 8.310 nan 0.000 0.516 58 V N 2.385 122.294 119.914 -0.009 0.000 2.324 58 V HA -0.213 3.893 4.120 -0.024 0.000 0.250 58 V C 2.757 178.855 176.094 0.007 0.000 1.060 58 V CA 2.450 64.749 62.300 -0.001 0.000 1.042 58 V CB -1.263 30.553 31.823 -0.012 0.000 0.650 58 V HN 1.072 nan 8.190 nan 0.000 0.450 59 E N -0.069 120.132 120.200 0.001 0.000 2.038 59 E HA -0.242 4.094 4.350 -0.024 0.000 0.195 59 E C 2.235 178.850 176.600 0.025 0.000 1.000 59 E CA 2.054 58.459 56.400 0.008 0.000 0.803 59 E CB -0.169 29.532 29.700 0.002 0.000 0.750 59 E HN 0.638 nan 8.360 nan 0.000 0.448 60 T N 1.378 115.944 114.554 0.020 0.000 2.777 60 T HA -0.106 4.229 4.350 -0.024 0.000 0.266 60 T C 1.928 176.651 174.700 0.039 0.000 1.040 60 T CA 1.069 63.185 62.100 0.027 0.000 1.141 60 T CB -0.202 68.676 68.868 0.017 0.000 0.868 60 T HN 0.140 nan 8.240 nan 0.000 0.444 61 L N 0.558 121.805 121.223 0.040 0.000 2.079 61 L HA -0.141 4.185 4.340 -0.024 0.000 0.210 61 L C 2.650 179.577 176.870 0.094 0.000 1.081 61 L CA 1.410 56.283 54.840 0.054 0.000 0.752 61 L CB -0.474 41.614 42.059 0.048 0.000 0.896 61 L HN 0.227 nan 8.230 nan 0.000 0.433 62 K N -0.437 120.034 120.400 0.118 0.000 2.063 62 K HA -0.174 4.131 4.320 -0.024 0.000 0.208 62 K C 2.043 178.762 176.600 0.199 0.000 1.048 62 K CA 1.121 57.548 56.287 0.234 0.000 0.928 62 K CB -0.069 32.530 32.500 0.165 0.000 0.713 62 K HN 0.231 nan 8.250 nan 0.000 0.442 63 E N 0.308 120.575 120.200 0.111 0.000 2.152 63 E HA -0.078 4.258 4.350 -0.024 0.000 0.192 63 E C 1.973 178.593 176.600 0.034 0.000 0.983 63 E CA 0.828 57.270 56.400 0.071 0.000 0.818 63 E CB 0.004 29.735 29.700 0.052 0.000 0.758 63 E HN 0.303 nan 8.360 nan 0.000 0.467 64 M N 0.066 119.686 119.600 0.034 0.000 2.132 64 M HA -0.077 4.389 4.480 -0.024 0.000 0.263 64 M C 2.449 178.735 176.300 -0.023 0.000 1.065 64 M CA 1.037 56.343 55.300 0.010 0.000 1.122 64 M CB -0.715 31.897 32.600 0.020 0.000 1.365 64 M HN 0.080 nan 8.290 nan 0.000 0.411 65 I N 0.298 120.857 120.570 -0.019 0.000 2.179 65 I HA -0.325 3.831 4.170 -0.024 0.000 0.242 65 I C 2.304 178.321 176.117 -0.167 0.000 1.088 65 I CA 1.446 62.690 61.300 -0.093 0.000 1.357 65 I CB -0.427 37.526 38.000 -0.079 0.000 1.051 65 I HN 0.294 nan 8.210 nan 0.000 0.409 66 K N 0.315 120.628 120.400 -0.144 0.000 2.209 66 K HA -0.094 4.212 4.320 -0.024 0.000 0.204 66 K C 2.110 178.627 176.600 -0.139 0.000 1.048 66 K CA 1.410 57.599 56.287 -0.162 0.000 0.940 66 K CB -0.115 32.343 32.500 -0.071 0.000 0.729 66 K HN 0.182 nan 8.250 nan 0.000 0.451 67 S N -0.957 114.681 115.700 -0.104 0.000 2.496 67 S HA 0.058 4.513 4.470 -0.024 0.000 0.224 67 S C 1.216 175.717 174.600 -0.165 0.000 0.996 67 S CA 0.830 58.963 58.200 -0.111 0.000 0.927 67 S CB 0.716 63.890 63.200 -0.043 0.000 0.774 67 S HN 0.606 nan 8.310 nan 0.000 0.524 68 G N 0.908 109.623 108.800 -0.143 0.000 2.370 68 G HA2 -0.149 3.796 3.960 -0.024 0.000 0.174 68 G HA3 -0.149 3.796 3.960 -0.024 0.000 0.174 68 G C 0.058 174.902 174.900 -0.094 0.000 1.002 68 G CA -0.336 44.684 45.100 -0.132 0.000 0.730 68 G HN 0.361 nan 8.290 nan 0.000 0.497 69 M N 1.344 120.892 119.600 -0.088 0.000 2.284 69 M HA 0.244 4.709 4.480 -0.024 0.000 0.351 69 M C 1.005 177.203 176.300 -0.170 0.000 1.443 69 M CA 1.065 56.311 55.300 -0.091 0.000 1.031 69 M CB 0.068 32.636 32.600 -0.053 0.000 1.893 69 M HN 0.269 nan 8.290 nan 0.000 0.456 70 N N 2.679 121.237 118.700 -0.237 0.000 2.407 70 N HA 0.175 4.900 4.740 -0.024 0.000 0.182 70 N C -1.052 174.249 175.510 -0.348 0.000 1.079 70 N CA -0.144 52.596 53.050 -0.516 0.000 0.882 70 N CB 0.904 38.934 38.487 -0.762 0.000 1.106 70 N HN 0.403 nan 8.380 nan 0.000 0.461 71 V N 0.715 120.545 119.914 -0.139 0.000 2.686 71 V HA 0.672 4.777 4.120 -0.024 0.000 0.306 71 V C -0.961 175.136 176.094 0.005 0.000 1.065 71 V CA -1.299 60.984 62.300 -0.027 0.000 0.894 71 V CB 1.652 33.507 31.823 0.054 0.000 1.004 71 V HN 0.083 nan 8.190 nan 0.000 0.424 72 A N 4.595 127.421 122.820 0.009 0.000 2.252 72 A HA 0.714 5.019 4.320 -0.024 0.000 0.309 72 A C 0.049 177.643 177.584 0.016 0.000 1.285 72 A CA -0.449 51.604 52.037 0.027 0.000 0.900 72 A CB 0.330 19.350 19.000 0.033 0.000 1.157 72 A HN 0.860 nan 8.150 nan 0.000 0.536 73 R N 3.564 124.091 120.500 0.045 0.000 2.265 73 R HA 0.580 4.905 4.340 -0.024 0.000 0.319 73 R C -1.442 174.905 176.300 0.078 0.000 1.006 73 R CA -0.457 55.659 56.100 0.027 0.000 0.880 73 R CB 0.519 30.901 30.300 0.137 0.000 1.077 73 R HN 0.711 nan 8.270 nan 0.000 0.454 74 L N 4.152 125.419 121.223 0.073 0.000 2.287 74 L HA 0.327 4.652 4.340 -0.024 0.000 0.287 74 L C -0.232 176.736 176.870 0.163 0.000 1.022 74 L CA -0.981 53.942 54.840 0.138 0.000 0.814 74 L CB 1.483 43.641 42.059 0.165 0.000 1.217 74 L HN 0.590 nan 8.230 nan 0.000 0.420 75 N N 2.609 121.408 118.700 0.164 0.000 2.462 75 N HA 0.184 4.909 4.740 -0.024 0.000 0.242 75 N C 0.085 175.675 175.510 0.133 0.000 1.010 75 N CA -0.247 52.915 53.050 0.187 0.000 0.939 75 N CB 0.665 39.279 38.487 0.211 0.000 1.127 75 N HN 0.336 nan 8.380 nan 0.000 0.509 76 F N 1.282 121.191 119.950 -0.069 0.000 2.804 76 F HA 0.119 4.630 4.527 -0.026 0.000 0.303 76 F C 2.086 177.872 175.800 -0.023 0.000 1.154 76 F CA 0.101 58.072 58.000 -0.049 0.000 1.401 76 F CB 0.017 38.964 39.000 -0.088 0.000 1.106 76 F HN 0.457 nan 8.300 nan 0.000 0.568 77 S N -1.489 114.204 115.700 -0.010 0.000 2.474 77 S HA -0.096 4.359 4.470 -0.024 0.000 0.235 77 S C 0.180 174.479 174.600 -0.503 0.000 0.997 77 S CA 0.861 58.903 58.200 -0.263 0.000 0.949 77 S CB -0.481 62.456 63.200 -0.439 0.000 0.766 77 S HN 0.430 nan 8.310 nan 0.000 0.517 78 H N -1.105 118.009 119.070 0.073 0.000 2.865 78 H HA 0.606 5.147 4.556 -0.025 0.000 0.372 78 H C 0.292 175.581 175.328 -0.064 0.000 1.173 78 H CA -0.210 55.829 56.048 -0.015 0.000 1.147 78 H CB 1.501 31.234 29.762 -0.048 0.000 1.805 78 H HN 0.202 nan 8.280 nan 0.000 0.553 79 G N 0.749 109.483 108.800 -0.110 0.000 2.721 79 G HA2 -0.056 3.889 3.960 -0.024 0.000 0.686 79 G HA3 -0.056 3.889 3.960 -0.024 0.000 0.686 79 G C -0.027 174.729 174.900 -0.239 0.000 1.236 79 G CA -0.497 44.356 45.100 -0.410 0.000 0.786 79 G HN 0.879 nan 8.290 nan 0.000 0.616 80 T N -1.414 113.004 114.554 -0.227 0.000 2.847 80 T HA 0.553 4.888 4.350 -0.024 0.000 0.279 80 T C 1.374 176.061 174.700 -0.021 0.000 0.984 80 T CA 0.489 62.532 62.100 -0.095 0.000 0.988 80 T CB 1.230 70.058 68.868 -0.068 0.000 1.040 80 T HN 0.687 nan 8.240 nan 0.000 0.528 81 H N -0.427 118.533 119.070 -0.184 0.000 2.387 81 H HA -0.105 4.437 4.556 -0.024 0.000 0.299 81 H C 2.290 177.556 175.328 -0.103 0.000 1.099 81 H CA 1.529 57.338 56.048 -0.399 0.000 1.315 81 H CB 0.213 29.687 29.762 -0.480 0.000 1.380 81 H HN 0.874 nan 8.280 nan 0.000 0.513 82 E N 0.761 121.034 120.200 0.121 0.000 2.070 82 E HA -0.269 4.066 4.350 -0.024 0.000 0.197 82 E C 1.977 178.639 176.600 0.104 0.000 1.004 82 E CA 1.335 57.811 56.400 0.126 0.000 0.805 82 E CB -0.210 29.542 29.700 0.086 0.000 0.744 82 E HN 0.515 nan 8.360 nan 0.000 0.451 83 Y N 0.642 120.886 120.300 -0.093 0.000 2.145 83 Y HA -0.261 4.274 4.550 -0.026 0.000 0.286 83 Y C 2.407 178.209 175.900 -0.163 0.000 1.145 83 Y CA 2.248 60.240 58.100 -0.179 0.000 1.148 83 Y CB -0.187 38.076 38.460 -0.328 0.000 0.981 83 Y HN 0.215 nan 8.280 nan 0.000 0.507 84 H N -0.638 118.512 119.070 0.134 0.000 2.389 84 H HA -0.048 4.494 4.556 -0.025 0.000 0.299 84 H C 2.319 177.787 175.328 0.234 0.000 1.081 84 H CA 1.116 57.225 56.048 0.101 0.000 1.345 84 H CB -0.675 29.032 29.762 -0.091 0.000 1.393 84 H HN 0.519 nan 8.280 nan 0.000 0.520 85 A N 0.999 124.093 122.820 0.457 0.000 1.933 85 A HA -0.201 4.104 4.320 -0.024 0.000 0.218 85 A C 2.389 180.066 177.584 0.156 0.000 1.175 85 A CA 1.771 54.042 52.037 0.390 0.000 0.628 85 A CB -0.394 18.854 19.000 0.413 0.000 0.814 85 A HN 0.513 nan 8.150 nan 0.000 0.444 86 E N -0.727 119.507 120.200 0.056 0.000 2.072 86 E HA -0.147 4.188 4.350 -0.024 0.000 0.191 86 E C 1.947 178.508 176.600 -0.064 0.000 0.985 86 E CA 1.582 57.961 56.400 -0.035 0.000 0.801 86 E CB -0.184 29.446 29.700 -0.117 0.000 0.750 86 E HN 0.536 nan 8.360 nan 0.000 0.452 87 T N 1.351 115.844 114.554 -0.102 0.000 2.684 87 T HA -0.177 4.159 4.350 -0.024 0.000 0.267 87 T C 1.876 176.593 174.700 0.028 0.000 1.036 87 T CA 1.599 63.664 62.100 -0.058 0.000 1.148 87 T CB -0.247 68.613 68.868 -0.014 0.000 0.863 87 T HN 0.204 nan 8.240 nan 0.000 0.436 88 I N 0.813 121.433 120.570 0.084 0.000 2.208 88 I HA -0.195 3.960 4.170 -0.024 0.000 0.245 88 I C 2.655 178.798 176.117 0.045 0.000 1.097 88 I CA 1.343 62.689 61.300 0.078 0.000 1.363 88 I CB -0.363 37.694 38.000 0.095 0.000 1.051 88 I HN 0.209 nan 8.210 nan 0.000 0.413 89 K N 1.051 121.473 120.400 0.035 0.000 2.057 89 K HA -0.212 4.093 4.320 -0.024 0.000 0.207 89 K C 1.900 178.509 176.600 0.016 0.000 1.049 89 K CA 1.750 58.050 56.287 0.022 0.000 0.931 89 K CB -0.029 32.481 32.500 0.016 0.000 0.714 89 K HN 0.252 nan 8.250 nan 0.000 0.440 90 N N 0.526 119.229 118.700 0.005 0.000 2.188 90 N HA -0.127 4.598 4.740 -0.024 0.000 0.184 90 N C 1.801 177.324 175.510 0.022 0.000 1.018 90 N CA 1.071 54.122 53.050 0.002 0.000 0.858 90 N CB -0.387 38.089 38.487 -0.019 0.000 0.989 90 N HN -0.004 nan 8.380 nan 0.000 0.426 91 V N 1.526 121.459 119.914 0.032 0.000 2.287 91 V HA -0.228 3.877 4.120 -0.024 0.000 0.248 91 V C 2.278 178.409 176.094 0.062 0.000 1.053 91 V CA 1.645 63.974 62.300 0.048 0.000 1.027 91 V CB -0.367 31.486 31.823 0.049 0.000 0.646 91 V HN 0.297 nan 8.190 nan 0.000 0.447 92 R N -0.502 120.032 120.500 0.057 0.000 2.090 92 R HA -0.099 4.226 4.340 -0.024 0.000 0.228 92 R C 2.410 178.751 176.300 0.069 0.000 1.110 92 R CA 1.748 57.890 56.100 0.071 0.000 0.973 92 R CB -0.715 29.618 30.300 0.055 0.000 0.869 92 R HN 0.502 nan 8.270 nan 0.000 0.440 93 T N 1.136 115.715 114.554 0.042 0.000 2.684 93 T HA -0.172 4.163 4.350 -0.024 0.000 0.267 93 T C 1.994 176.708 174.700 0.024 0.000 1.036 93 T CA 1.547 63.661 62.100 0.024 0.000 1.148 93 T CB -0.276 68.595 68.868 0.004 0.000 0.863 93 T HN 0.379 nan 8.240 nan 0.000 0.436 94 A N 1.369 124.213 122.820 0.040 0.000 1.877 94 A HA -0.135 4.171 4.320 -0.024 0.000 0.216 94 A C 2.583 180.256 177.584 0.148 0.000 1.186 94 A CA 2.161 54.233 52.037 0.057 0.000 0.620 94 A CB -1.295 17.757 19.000 0.086 0.000 0.822 94 A HN 0.488 nan 8.150 nan 0.000 0.443 95 T N 0.163 114.826 114.554 0.181 0.000 2.708 95 T HA -0.099 4.237 4.350 -0.024 0.000 0.266 95 T C 1.629 176.553 174.700 0.373 0.000 1.037 95 T CA 1.488 63.744 62.100 0.259 0.000 1.146 95 T CB -0.249 68.720 68.868 0.170 0.000 0.865 95 T HN 0.456 nan 8.240 nan 0.000 0.435 96 E N 1.634 121.992 120.200 0.264 0.000 2.418 96 E HA -0.020 4.316 4.350 -0.024 0.000 0.197 96 E C 2.426 179.097 176.600 0.118 0.000 1.026 96 E CA 0.579 57.121 56.400 0.237 0.000 0.862 96 E CB -0.501 29.273 29.700 0.122 0.000 0.799 96 E HN 0.659 nan 8.360 nan 0.000 0.518 97 S N -0.143 115.554 115.700 -0.005 0.000 2.442 97 S HA -0.116 4.339 4.470 -0.024 0.000 0.236 97 S C 1.424 175.857 174.600 -0.279 0.000 1.007 97 S CA 0.615 58.683 58.200 -0.220 0.000 0.965 97 S CB -0.432 62.513 63.200 -0.425 0.000 0.773 97 S HN 0.160 nan 8.310 nan 0.000 0.504 98 F N 1.077 121.119 119.950 0.152 0.000 2.695 98 F HA 0.594 5.110 4.527 -0.018 0.000 0.303 98 F C 2.204 178.167 175.800 0.270 0.000 1.091 98 F CA -0.230 57.879 58.000 0.182 0.000 1.300 98 F CB -0.261 38.834 39.000 0.158 0.000 1.071 98 F HN 0.274 nan 8.300 nan 0.000 0.578 99 A N 0.043 123.064 122.820 0.335 0.000 2.119 99 A HA -0.120 4.185 4.320 -0.024 0.000 0.217 99 A C 2.371 179.961 177.584 0.010 0.000 1.153 99 A CA 1.472 53.544 52.037 0.058 0.000 0.692 99 A CB -0.853 18.066 19.000 -0.134 0.000 0.799 99 A HN 0.362 nan 8.150 nan 0.000 0.458 100 S N -0.318 115.415 115.700 0.056 0.000 2.400 100 S HA -0.154 4.301 4.470 -0.024 0.000 0.232 100 S C 0.638 175.267 174.600 0.048 0.000 1.025 100 S CA 1.216 59.433 58.200 0.029 0.000 0.993 100 S CB -0.292 62.925 63.200 0.028 0.000 0.808 100 S HN 0.457 nan 8.310 nan 0.000 0.478 101 D N 1.923 122.384 120.400 0.102 0.000 2.472 101 D HA 0.451 5.077 4.640 -0.024 0.000 0.234 101 D C -2.154 174.248 176.300 0.169 0.000 1.088 101 D CA -2.688 51.380 54.000 0.115 0.000 0.882 101 D CB 1.718 42.586 40.800 0.113 0.000 1.037 101 D HN -0.001 nan 8.370 nan 0.000 0.520 102 P HA -0.031 nan 4.420 nan 0.000 0.222 102 P C 1.615 179.170 177.300 0.425 0.000 1.147 102 P CA 0.624 63.875 63.100 0.251 0.000 0.790 102 P CB 0.354 32.128 31.700 0.124 0.000 0.780 103 I N -1.427 119.346 120.570 0.337 0.000 2.361 103 I HA -0.198 3.957 4.170 -0.024 0.000 0.251 103 I C 1.895 178.033 176.117 0.035 0.000 1.133 103 I CA 1.442 62.831 61.300 0.148 0.000 1.413 103 I CB -0.303 37.747 38.000 0.084 0.000 1.073 103 I HN -0.055 nan 8.210 nan 0.000 0.424 104 L N -1.368 119.914 121.223 0.098 0.000 2.590 104 L HA 0.063 4.389 4.340 -0.024 0.000 0.227 104 L C 0.651 177.577 176.870 0.094 0.000 1.099 104 L CA -0.365 54.502 54.840 0.046 0.000 0.872 104 L CB -0.151 41.935 42.059 0.045 0.000 1.088 104 L HN 0.123 nan 8.230 nan 0.000 0.479 105 Y N 2.573 122.918 120.300 0.075 0.000 2.620 105 Y HA 0.045 4.583 4.550 -0.020 0.000 0.330 105 Y C 0.349 176.292 175.900 0.071 0.000 1.186 105 Y CA -0.112 58.048 58.100 0.101 0.000 1.467 105 Y CB 0.284 38.832 38.460 0.147 0.000 1.262 105 Y HN -0.009 nan 8.280 nan 0.000 0.550 106 R N 7.989 128.175 120.500 -0.524 0.000 2.288 106 R HA 0.339 4.665 4.340 -0.024 0.000 0.326 106 R C -2.568 173.359 176.300 -0.623 0.000 0.959 106 R CA -1.927 53.936 56.100 -0.395 0.000 0.834 106 R CB 0.901 31.040 30.300 -0.269 0.000 1.157 106 R HN 0.507 nan 8.270 nan 0.000 0.470 107 P HA -0.005 nan 4.420 nan 0.000 0.266 107 P C -0.860 176.503 177.300 0.105 0.000 1.195 107 P CA -0.110 62.946 63.100 -0.072 0.000 0.768 107 P CB 0.757 32.530 31.700 0.121 0.000 0.838 108 V N 2.309 122.266 119.914 0.072 0.000 2.525 108 V HA 0.574 4.680 4.120 -0.024 0.000 0.299 108 V C 0.230 176.383 176.094 0.098 0.000 1.034 108 V CA -0.874 61.456 62.300 0.051 0.000 0.863 108 V CB 1.490 33.312 31.823 -0.001 0.000 0.999 108 V HN 0.670 nan 8.190 nan 0.000 0.423 109 A N 4.578 127.467 122.820 0.115 0.000 2.304 109 A HA 0.807 5.113 4.320 -0.024 0.000 0.271 109 A C -0.414 177.192 177.584 0.038 0.000 1.091 109 A CA -0.387 51.711 52.037 0.101 0.000 0.812 109 A CB 1.035 20.118 19.000 0.139 0.000 1.056 109 A HN 0.726 nan 8.150 nan 0.000 0.489 110 V N 0.957 120.879 119.914 0.012 0.000 2.448 110 V HA 0.628 4.734 4.120 -0.024 0.000 0.295 110 V C 0.292 176.325 176.094 -0.102 0.000 1.025 110 V CA -0.165 62.121 62.300 -0.024 0.000 0.859 110 V CB 1.227 33.047 31.823 -0.006 0.000 0.988 110 V HN 1.177 nan 8.190 nan 0.000 0.431 111 A N 5.365 128.071 122.820 -0.190 0.000 2.318 111 A HA 0.810 5.115 4.320 -0.024 0.000 0.317 111 A C -0.884 176.465 177.584 -0.391 0.000 1.159 111 A CA -0.511 51.250 52.037 -0.460 0.000 0.799 111 A CB 1.095 19.531 19.000 -0.941 0.000 1.194 111 A HN 0.907 nan 8.150 nan 0.000 0.479 112 L N 2.886 123.882 121.223 -0.378 0.000 2.257 112 L HA 0.380 4.705 4.340 -0.024 0.000 0.290 112 L C -0.778 175.924 176.870 -0.280 0.000 1.044 112 L CA -0.459 54.214 54.840 -0.280 0.000 0.810 112 L CB 0.762 42.608 42.059 -0.354 0.000 1.193 112 L HN 0.700 nan 8.230 nan 0.000 0.425 113 D N 4.129 124.469 120.400 -0.101 0.000 2.373 113 D HA 0.152 4.777 4.640 -0.024 0.000 0.227 113 D C -0.170 176.165 176.300 0.059 0.000 1.091 113 D CA -0.219 53.800 54.000 0.032 0.000 0.840 113 D CB 1.426 42.319 40.800 0.154 0.000 1.060 113 D HN 0.603 nan 8.370 nan 0.000 0.502 114 T N 0.979 115.544 114.554 0.018 0.000 2.900 114 T HA 0.079 4.415 4.350 -0.024 0.000 0.307 114 T C 1.316 176.072 174.700 0.094 0.000 1.065 114 T CA -0.407 61.708 62.100 0.025 0.000 1.105 114 T CB 1.954 70.829 68.868 0.011 0.000 0.979 114 T HN 0.445 nan 8.240 nan 0.000 0.544 115 K N 2.130 122.604 120.400 0.124 0.000 2.002 115 K HA 0.124 4.429 4.320 -0.024 0.000 0.209 115 K C 1.343 178.070 176.600 0.211 0.000 1.048 115 K CA 1.264 57.633 56.287 0.137 0.000 0.930 115 K CB -1.139 31.429 32.500 0.114 0.000 0.714 115 K HN 1.150 nan 8.250 nan 0.000 0.438 116 G N 0.383 109.288 108.800 0.176 0.000 2.645 116 G HA2 -0.223 3.722 3.960 -0.024 0.000 0.246 116 G HA3 -0.223 3.722 3.960 -0.024 0.000 0.246 116 G C -2.455 172.523 174.900 0.131 0.000 1.322 116 G CA -0.122 45.114 45.100 0.227 0.000 0.898 116 G HN 0.318 nan 8.290 nan 0.000 0.573 117 P HA 0.269 nan 4.420 nan 0.000 0.244 117 P C -0.170 176.771 177.300 -0.598 0.000 1.769 117 P CA 0.366 63.310 63.100 -0.261 0.000 1.102 117 P CB 0.151 31.692 31.700 -0.265 0.000 1.937 118 E N 1.628 121.633 120.200 -0.325 0.000 2.283 118 E HA 0.417 4.752 4.350 -0.024 0.000 0.271 118 E C 0.023 176.477 176.600 -0.244 0.000 1.031 118 E CA -0.850 55.379 56.400 -0.286 0.000 0.868 118 E CB 1.200 30.894 29.700 -0.010 0.000 1.094 118 E HN 0.339 nan 8.360 nan 0.000 0.401 119 I N 2.828 123.268 120.570 -0.217 0.000 2.404 119 I HA 0.403 4.558 4.170 -0.024 0.000 0.293 119 I C 0.077 176.164 176.117 -0.051 0.000 0.992 119 I CA -0.538 60.674 61.300 -0.145 0.000 1.149 119 I CB 1.181 39.088 38.000 -0.156 0.000 1.315 119 I HN 0.237 nan 8.210 nan 0.000 0.446 120 R N 2.950 123.433 120.500 -0.028 0.000 2.795 120 R HA 0.521 4.846 4.340 -0.024 0.000 0.275 120 R C -0.385 175.936 176.300 0.034 0.000 0.981 120 R CA -0.759 55.361 56.100 0.033 0.000 0.917 120 R CB 2.644 32.992 30.300 0.080 0.000 1.202 120 R HN 0.751 nan 8.270 nan 0.000 0.469 121 T N -1.294 113.316 114.554 0.093 0.000 2.770 121 T HA 0.436 4.771 4.350 -0.024 0.000 0.281 121 T C 0.852 175.754 174.700 0.337 0.000 0.981 121 T CA -0.471 61.723 62.100 0.155 0.000 0.955 121 T CB 1.174 70.123 68.868 0.134 0.000 1.060 121 T HN 0.596 nan 8.240 nan 0.000 0.531 122 G N -0.545 108.548 108.800 0.488 0.000 2.531 122 G HA2 0.553 4.498 3.960 -0.024 0.000 0.281 122 G HA3 0.553 4.498 3.960 -0.024 0.000 0.281 122 G C -0.531 174.486 174.900 0.195 0.000 1.382 122 G CA -1.268 44.089 45.100 0.429 0.000 1.045 122 G HN 0.829 nan 8.290 nan 0.000 0.533 123 L N 0.962 122.241 121.223 0.093 0.000 2.319 123 L HA 0.210 4.536 4.340 -0.024 0.000 0.280 123 L C 0.050 176.954 176.870 0.056 0.000 1.099 123 L CA -0.719 54.153 54.840 0.052 0.000 0.828 123 L CB 1.091 43.152 42.059 0.003 0.000 1.150 123 L HN 0.213 nan 8.230 nan 0.000 0.442 124 I N 4.990 125.594 120.570 0.056 0.000 2.578 124 I HA -0.055 4.100 4.170 -0.024 0.000 0.286 124 I C 0.998 177.133 176.117 0.030 0.000 1.126 124 I CA 0.386 61.715 61.300 0.048 0.000 1.380 124 I CB -0.165 37.861 38.000 0.044 0.000 1.408 124 I HN 0.711 nan 8.210 nan 0.000 0.532 125 K N 4.937 125.355 120.400 0.030 0.000 3.071 125 K HA -0.258 4.048 4.320 -0.024 0.000 0.262 125 K C 1.048 177.648 176.600 0.001 0.000 0.977 125 K CA 0.552 56.848 56.287 0.016 0.000 0.721 125 K CB -1.657 30.852 32.500 0.016 0.000 1.293 125 K HN 1.109 nan 8.250 nan 0.000 0.475 126 G N -0.835 107.962 108.800 -0.006 0.000 2.179 126 G HA2 -0.343 3.602 3.960 -0.024 0.000 0.260 126 G HA3 -0.343 3.602 3.960 -0.024 0.000 0.260 126 G C -0.046 174.843 174.900 -0.019 0.000 0.977 126 G CA 0.440 45.526 45.100 -0.023 0.000 0.641 126 G HN 0.562 nan 8.290 nan 0.000 0.533 127 S N -0.959 114.737 115.700 -0.007 0.000 2.526 127 S HA 0.638 5.093 4.470 -0.024 0.000 0.293 127 S C 1.440 176.040 174.600 -0.000 0.000 1.092 127 S CA 0.668 58.864 58.200 -0.007 0.000 0.980 127 S CB 1.375 64.572 63.200 -0.006 0.000 1.048 127 S HN 1.205 nan 8.310 nan 0.000 0.483 128 G N 1.381 110.177 108.800 -0.006 0.000 2.471 128 G HA2 -0.062 3.883 3.960 -0.024 0.000 0.219 128 G HA3 -0.062 3.883 3.960 -0.024 0.000 0.219 128 G C 0.968 175.866 174.900 -0.002 0.000 1.125 128 G CA 1.270 46.369 45.100 -0.003 0.000 0.775 128 G HN 0.856 nan 8.290 nan 0.000 0.548 129 T N -2.640 111.912 114.554 -0.004 0.000 3.040 129 T HA 0.655 4.990 4.350 -0.024 0.000 0.266 129 T C 0.960 175.662 174.700 0.003 0.000 1.005 129 T CA 0.319 62.417 62.100 -0.004 0.000 0.906 129 T CB 0.686 69.547 68.868 -0.011 0.000 1.082 129 T HN 0.331 nan 8.240 nan 0.000 0.531 130 A N 1.307 124.132 122.820 0.007 0.000 2.366 130 A HA 0.633 4.938 4.320 -0.024 0.000 0.249 130 A C 0.074 177.669 177.584 0.017 0.000 1.084 130 A CA -0.373 51.671 52.037 0.011 0.000 0.794 130 A CB 0.375 19.382 19.000 0.011 0.000 1.034 130 A HN 0.540 nan 8.150 nan 0.000 0.491 131 E N -1.030 119.180 120.200 0.018 0.000 2.383 131 E HA 0.515 4.850 4.350 -0.024 0.000 0.275 131 E C -1.455 175.158 176.600 0.022 0.000 0.918 131 E CA -0.805 55.608 56.400 0.022 0.000 0.764 131 E CB 2.333 32.044 29.700 0.020 0.000 1.252 131 E HN 0.742 nan 8.360 nan 0.000 0.449 132 V N -2.328 117.601 119.914 0.025 0.000 2.735 132 V HA 0.845 4.950 4.120 -0.024 0.000 0.310 132 V C -0.478 175.629 176.094 0.022 0.000 1.061 132 V CA -0.735 61.579 62.300 0.022 0.000 0.913 132 V CB 1.244 33.082 31.823 0.025 0.000 1.005 132 V HN 0.799 nan 8.190 nan 0.000 0.428 133 E N 4.614 124.825 120.200 0.018 0.000 2.089 133 E HA 0.605 4.940 4.350 -0.024 0.000 0.284 133 E C -0.474 176.136 176.600 0.016 0.000 1.023 133 E CA -0.621 55.790 56.400 0.017 0.000 0.819 133 E CB 1.043 30.752 29.700 0.015 0.000 1.076 133 E HN 0.861 nan 8.360 nan 0.000 0.396 134 L N 2.469 123.702 121.223 0.017 0.000 2.342 134 L HA 0.437 4.762 4.340 -0.024 0.000 0.285 134 L C 1.170 178.047 176.870 0.012 0.000 1.095 134 L CA -0.513 54.335 54.840 0.014 0.000 0.843 134 L CB 0.382 42.450 42.059 0.015 0.000 1.201 134 L HN 0.724 nan 8.230 nan 0.000 0.445 135 K N 4.367 124.772 120.400 0.009 0.000 2.270 135 K HA 0.221 4.527 4.320 -0.024 0.000 0.276 135 K C 0.080 176.683 176.600 0.006 0.000 1.023 135 K CA -0.475 55.816 56.287 0.008 0.000 0.955 135 K CB 0.619 33.123 32.500 0.006 0.000 0.975 135 K HN 0.600 nan 8.250 nan 0.000 0.471 136 K N 0.398 120.802 120.400 0.006 0.000 2.355 136 K HA 0.333 4.638 4.320 -0.024 0.000 0.270 136 K C 0.929 177.530 176.600 0.001 0.000 1.003 136 K CA 1.211 57.500 56.287 0.004 0.000 0.957 136 K CB 0.226 32.729 32.500 0.006 0.000 0.939 136 K HN 1.240 nan 8.250 nan 0.000 0.482 137 G N 1.186 109.985 108.800 -0.001 0.000 2.176 137 G HA2 -0.239 3.706 3.960 -0.024 0.000 0.252 137 G HA3 -0.239 3.706 3.960 -0.024 0.000 0.252 137 G C -0.084 174.815 174.900 -0.003 0.000 1.024 137 G CA 0.312 45.411 45.100 -0.002 0.000 0.755 137 G HN 0.867 nan 8.290 nan 0.000 0.507 138 A N -1.219 121.599 122.820 -0.004 0.000 2.284 138 A HA 0.960 5.265 4.320 -0.024 0.000 0.317 138 A C 0.375 177.955 177.584 -0.007 0.000 1.120 138 A CA 0.488 52.522 52.037 -0.004 0.000 0.900 138 A CB 1.570 20.569 19.000 -0.002 0.000 1.319 138 A HN 1.333 nan 8.150 nan 0.000 0.494 139 T N -0.266 114.283 114.554 -0.007 0.000 2.829 139 T HA 0.573 4.908 4.350 -0.024 0.000 0.280 139 T C -1.531 173.162 174.700 -0.011 0.000 0.999 139 T CA -0.314 61.780 62.100 -0.009 0.000 0.983 139 T CB 0.491 69.353 68.868 -0.010 0.000 0.968 139 T HN 0.870 nan 8.240 nan 0.000 0.446 140 L N 3.721 124.937 121.223 -0.011 0.000 2.438 140 L HA 0.792 5.117 4.340 -0.024 0.000 0.270 140 L C -0.362 176.501 176.870 -0.011 0.000 0.972 140 L CA -0.408 54.425 54.840 -0.012 0.000 0.831 140 L CB 1.290 43.344 42.059 -0.007 0.000 1.273 140 L HN 0.767 nan 8.230 nan 0.000 0.405 141 K N 5.513 125.899 120.400 -0.025 0.000 2.227 141 K HA 0.690 4.995 4.320 -0.024 0.000 0.280 141 K C -0.565 176.027 176.600 -0.013 0.000 1.041 141 K CA -0.132 56.142 56.287 -0.021 0.000 0.905 141 K CB 0.596 33.047 32.500 -0.083 0.000 1.068 141 K HN 0.675 nan 8.250 nan 0.000 0.470 142 I N 2.058 122.640 120.570 0.020 0.000 2.365 142 I HA 0.355 4.511 4.170 -0.024 0.000 0.291 142 I C 0.676 176.821 176.117 0.046 0.000 1.004 142 I CA -0.496 60.814 61.300 0.017 0.000 1.311 142 I CB 2.029 40.028 38.000 -0.002 0.000 1.401 142 I HN 0.748 nan 8.210 nan 0.000 0.491 143 T N 5.729 120.305 114.554 0.036 0.000 2.916 143 T HA 0.560 4.895 4.350 -0.024 0.000 0.292 143 T C 0.393 175.126 174.700 0.055 0.000 1.055 143 T CA -0.563 61.587 62.100 0.084 0.000 1.009 143 T CB 1.305 70.201 68.868 0.046 0.000 1.118 143 T HN 0.482 nan 8.240 nan 0.000 0.497 144 L N 1.314 122.590 121.223 0.088 0.000 2.693 144 L HA 0.361 4.687 4.340 -0.024 0.000 0.235 144 L C 0.760 177.849 176.870 0.364 0.000 1.127 144 L CA -0.238 54.627 54.840 0.041 0.000 0.914 144 L CB 0.213 42.255 42.059 -0.029 0.000 1.193 144 L HN 0.573 nan 8.230 nan 0.000 0.502 145 D N 1.216 121.859 120.400 0.405 0.000 2.368 145 D HA -0.068 4.558 4.640 -0.024 0.000 0.268 145 D C 0.815 177.396 176.300 0.467 0.000 1.298 145 D CA 0.279 54.523 54.000 0.406 0.000 0.938 145 D CB 0.730 41.768 40.800 0.397 0.000 1.101 145 D HN 0.011 nan 8.370 nan 0.000 0.509 146 N N 2.973 121.852 118.700 0.298 0.000 2.519 146 N HA -0.123 4.602 4.740 -0.024 0.000 0.186 146 N C 1.580 176.975 175.510 -0.191 0.000 1.062 146 N CA 0.835 53.872 53.050 -0.022 0.000 0.910 146 N CB -0.117 38.381 38.487 0.018 0.000 0.958 146 N HN 0.535 nan 8.380 nan 0.000 0.445 147 A N -0.325 122.440 122.820 -0.091 0.000 2.032 147 A HA -0.174 4.131 4.320 -0.024 0.000 0.221 147 A C 1.057 178.372 177.584 -0.448 0.000 1.165 147 A CA 1.229 53.095 52.037 -0.284 0.000 0.645 147 A CB -0.623 18.162 19.000 -0.358 0.000 0.807 147 A HN 0.428 nan 8.150 nan 0.000 0.453 148 Y N -0.570 119.658 120.300 -0.120 0.000 2.555 148 Y HA 0.205 4.740 4.550 -0.025 0.000 0.259 148 Y C 2.037 177.796 175.900 -0.235 0.000 1.179 148 Y CA 0.221 58.267 58.100 -0.089 0.000 1.230 148 Y CB -0.327 38.167 38.460 0.057 0.000 1.146 148 Y HN 0.470 nan 8.280 nan 0.000 0.526 149 M N -0.850 118.408 119.600 -0.569 0.000 2.446 149 M HA -0.064 4.401 4.480 -0.024 0.000 0.263 149 M C 0.202 176.217 176.300 -0.475 0.000 1.066 149 M CA 1.985 56.596 55.300 -1.149 0.000 1.087 149 M CB -0.007 31.462 32.600 -1.885 0.000 1.406 149 M HN 0.160 nan 8.290 nan 0.000 0.459 150 E N 0.551 120.589 120.200 -0.270 0.000 2.812 150 E HA 0.174 4.509 4.350 -0.024 0.000 0.211 150 E C 0.253 176.819 176.600 -0.057 0.000 0.986 150 E CA 0.082 56.401 56.400 -0.136 0.000 1.119 150 E CB 0.908 30.521 29.700 -0.145 0.000 1.046 150 E HN 0.591 nan 8.360 nan 0.000 0.474 151 K N 0.649 121.045 120.400 -0.006 0.000 2.972 151 K HA 0.278 4.583 4.320 -0.024 0.000 0.209 151 K C -0.171 176.508 176.600 0.131 0.000 1.128 151 K CA -0.333 55.985 56.287 0.052 0.000 1.024 151 K CB -0.859 31.659 32.500 0.031 0.000 0.754 151 K HN 0.066 nan 8.250 nan 0.000 0.454 152 C N 2.308 121.678 119.300 0.116 0.000 2.652 152 C HA 0.706 5.151 4.460 -0.024 0.000 0.412 152 C C 0.409 175.451 174.990 0.086 0.000 1.294 152 C CA 0.145 59.239 59.018 0.127 0.000 2.127 152 C CB 0.219 28.043 27.740 0.140 0.000 2.691 152 C HN 0.931 nan 8.230 nan 0.000 0.615 153 D N -0.408 120.035 120.400 0.072 0.000 3.182 153 D HA 0.306 4.931 4.640 -0.024 0.000 0.352 153 D C 0.630 176.952 176.300 0.037 0.000 1.421 153 D CA 0.054 54.084 54.000 0.050 0.000 0.912 153 D CB -0.064 40.764 40.800 0.047 0.000 1.461 153 D HN 0.332 nan 8.370 nan 0.000 0.548 154 E N -0.355 119.861 120.200 0.026 0.000 2.267 154 E HA -0.177 4.158 4.350 -0.024 0.000 0.197 154 E C 1.135 177.741 176.600 0.010 0.000 0.998 154 E CA 1.990 58.401 56.400 0.018 0.000 0.830 154 E CB -0.877 28.831 29.700 0.014 0.000 0.751 154 E HN 0.446 nan 8.360 nan 0.000 0.491 155 N N -1.638 117.066 118.700 0.007 0.000 2.460 155 N HA 0.231 4.956 4.740 -0.024 0.000 0.193 155 N C 0.189 175.681 175.510 -0.030 0.000 1.080 155 N CA 0.118 53.162 53.050 -0.011 0.000 0.869 155 N CB 1.310 39.789 38.487 -0.014 0.000 1.201 155 N HN 0.485 nan 8.380 nan 0.000 0.457 156 I N 1.142 121.698 120.570 -0.022 0.000 2.533 156 I HA 0.368 4.523 4.170 -0.024 0.000 0.290 156 I C -1.853 174.276 176.117 0.019 0.000 1.056 156 I CA -0.916 60.351 61.300 -0.056 0.000 1.057 156 I CB 2.073 39.969 38.000 -0.174 0.000 1.240 156 I HN -0.238 nan 8.210 nan 0.000 0.423 157 L N 8.520 129.764 121.223 0.035 0.000 2.406 157 L HA 0.472 4.797 4.340 -0.024 0.000 0.270 157 L C -1.568 175.397 176.870 0.158 0.000 0.982 157 L CA -0.151 54.750 54.840 0.102 0.000 0.843 157 L CB 1.320 43.417 42.059 0.063 0.000 1.225 157 L HN 0.726 nan 8.230 nan 0.000 0.412 158 W N 7.296 128.622 121.300 0.043 0.000 2.261 158 W HA 0.583 5.228 4.660 -0.025 0.000 0.323 158 W C -1.181 175.374 176.519 0.061 0.000 1.243 158 W CA -0.340 57.043 57.345 0.064 0.000 1.210 158 W CB 1.052 30.575 29.460 0.105 0.000 1.149 158 W HN 0.545 nan 8.180 nan 0.000 0.562 159 L N 2.557 123.342 121.223 -0.731 0.000 2.341 159 L HA 0.585 4.910 4.340 -0.024 0.000 0.254 159 L C -0.047 175.960 176.870 -1.438 0.000 1.040 159 L CA -0.836 53.512 54.840 -0.820 0.000 0.837 159 L CB 1.674 43.549 42.059 -0.306 0.000 1.425 159 L HN 0.493 nan 8.230 nan 0.000 0.414 160 D N -1.492 118.379 120.400 -0.880 0.000 2.363 160 D HA 0.022 4.647 4.640 -0.024 0.000 0.214 160 D C -0.013 176.184 176.300 -0.172 0.000 1.093 160 D CA 0.299 53.932 54.000 -0.612 0.000 0.837 160 D CB -0.352 40.348 40.800 -0.166 0.000 0.948 160 D HN 0.624 nan 8.370 nan 0.000 0.507 161 Y N 1.406 121.522 120.300 -0.306 0.000 2.650 161 Y HA 0.125 4.661 4.550 -0.024 0.000 0.343 161 Y C 1.139 176.941 175.900 -0.163 0.000 1.078 161 Y CA -0.712 57.277 58.100 -0.185 0.000 1.356 161 Y CB 0.573 38.936 38.460 -0.163 0.000 1.204 161 Y HN -0.251 nan 8.280 nan 0.000 0.508 162 K N 2.028 122.391 120.400 -0.062 0.000 2.044 162 K HA -0.233 4.072 4.320 -0.024 0.000 0.210 162 K C 1.239 177.646 176.600 -0.321 0.000 1.049 162 K CA 1.752 57.954 56.287 -0.142 0.000 0.927 162 K CB -0.451 32.032 32.500 -0.030 0.000 0.713 162 K HN 0.673 nan 8.250 nan 0.000 0.443 163 N N 0.586 118.988 118.700 -0.497 0.000 2.421 163 N HA 0.129 4.854 4.740 -0.024 0.000 0.201 163 N C 1.022 175.972 175.510 -0.932 0.000 1.198 163 N CA 0.004 52.719 53.050 -0.557 0.000 0.838 163 N CB -0.490 37.836 38.487 -0.269 0.000 1.011 163 N HN 0.397 nan 8.380 nan 0.000 0.463 164 I N -0.583 119.283 120.570 -1.173 0.000 2.208 164 I HA -0.346 3.809 4.170 -0.024 0.000 0.245 164 I C 1.481 177.376 176.117 -0.369 0.000 1.097 164 I CA 1.073 61.861 61.300 -0.853 0.000 1.363 164 I CB 0.005 37.762 38.000 -0.404 0.000 1.051 164 I HN 0.176 nan 8.210 nan 0.000 0.413 165 C N 1.410 120.527 119.300 -0.306 0.000 2.422 165 C HA -0.147 4.298 4.460 -0.024 0.000 0.279 165 C C 3.139 178.029 174.990 -0.165 0.000 1.305 165 C CA 1.482 60.375 59.018 -0.208 0.000 1.757 165 C CB -1.551 26.064 27.740 -0.208 0.000 1.962 165 C HN 0.629 nan 8.230 nan 0.000 0.499 166 K N 0.254 120.551 120.400 -0.171 0.000 2.211 166 K HA -0.023 4.282 4.320 -0.024 0.000 0.203 166 K C 1.756 178.310 176.600 -0.076 0.000 1.050 166 K CA 1.838 58.057 56.287 -0.113 0.000 0.945 166 K CB -0.893 31.545 32.500 -0.103 0.000 0.732 166 K HN 0.682 nan 8.250 nan 0.000 0.451 167 V N -4.498 115.374 119.914 -0.070 0.000 3.660 167 V HA 0.623 4.728 4.120 -0.024 0.000 0.276 167 V C 1.038 177.128 176.094 -0.006 0.000 1.317 167 V CA 0.235 62.528 62.300 -0.011 0.000 1.097 167 V CB -0.393 31.466 31.823 0.061 0.000 0.863 167 V HN 0.381 nan 8.190 nan 0.000 0.438 168 V N 0.061 119.955 119.914 -0.034 0.000 2.975 168 V HA 0.907 5.012 4.120 -0.024 0.000 0.318 168 V C -0.089 175.978 176.094 -0.044 0.000 1.077 168 V CA -0.913 61.370 62.300 -0.029 0.000 1.000 168 V CB 1.728 33.529 31.823 -0.037 0.000 1.066 168 V HN 0.283 nan 8.190 nan 0.000 0.452 169 E N 1.157 121.336 120.200 -0.035 0.000 2.433 169 E HA 0.599 4.934 4.350 -0.024 0.000 0.273 169 E C -1.236 175.341 176.600 -0.037 0.000 0.950 169 E CA -0.787 55.590 56.400 -0.039 0.000 0.796 169 E CB 2.088 31.771 29.700 -0.028 0.000 1.330 169 E HN 0.485 nan 8.360 nan 0.000 0.455 170 V N 0.846 120.738 119.914 -0.037 0.000 2.763 170 V HA 0.244 4.350 4.120 -0.024 0.000 0.306 170 V C 1.556 177.636 176.094 -0.023 0.000 1.059 170 V CA 1.693 63.974 62.300 -0.032 0.000 1.138 170 V CB 0.404 32.210 31.823 -0.028 0.000 0.940 170 V HN 1.022 nan 8.190 nan 0.000 0.489 171 G N 3.490 112.277 108.800 -0.023 0.000 2.267 171 G HA2 -0.293 3.652 3.960 -0.024 0.000 0.257 171 G HA3 -0.293 3.652 3.960 -0.024 0.000 0.257 171 G C 0.562 175.450 174.900 -0.018 0.000 0.998 171 G CA 0.316 45.406 45.100 -0.018 0.000 0.620 171 G HN 0.796 nan 8.290 nan 0.000 0.529 172 S N 1.011 116.699 115.700 -0.019 0.000 2.558 172 S HA 0.418 4.873 4.470 -0.024 0.000 0.287 172 S C 0.549 175.127 174.600 -0.037 0.000 1.321 172 S CA 0.537 58.728 58.200 -0.014 0.000 1.048 172 S CB 0.889 64.081 63.200 -0.013 0.000 0.844 172 S HN 0.586 nan 8.310 nan 0.000 0.512 173 K N 2.383 122.764 120.400 -0.033 0.000 2.138 173 K HA 0.586 4.892 4.320 -0.024 0.000 0.263 173 K C -0.312 176.186 176.600 -0.170 0.000 0.965 173 K CA -0.502 55.699 56.287 -0.143 0.000 0.868 173 K CB 1.250 33.672 32.500 -0.131 0.000 1.083 173 K HN 0.556 nan 8.250 nan 0.000 0.443 174 I N 2.443 122.826 120.570 -0.312 0.000 2.466 174 I HA 0.430 4.586 4.170 -0.024 0.000 0.289 174 I C -1.053 174.856 176.117 -0.347 0.000 1.026 174 I CA -1.035 60.152 61.300 -0.189 0.000 1.078 174 I CB 1.447 39.394 38.000 -0.089 0.000 1.249 174 I HN 0.616 nan 8.210 nan 0.000 0.429 175 Y N 4.866 125.176 120.300 0.016 0.000 2.377 175 Y HA 0.661 5.197 4.550 -0.023 0.000 0.339 175 Y C -0.145 175.769 175.900 0.023 0.000 1.011 175 Y CA -0.858 57.255 58.100 0.021 0.000 1.093 175 Y CB 2.056 40.531 38.460 0.024 0.000 1.201 175 Y HN 0.137 nan 8.280 nan 0.000 0.455 176 V N 2.087 122.096 119.914 0.157 0.000 2.735 176 V HA 0.337 4.442 4.120 -0.024 0.000 0.310 176 V C -0.851 175.308 176.094 0.109 0.000 1.061 176 V CA -1.197 61.168 62.300 0.108 0.000 0.913 176 V CB 1.742 33.605 31.823 0.067 0.000 1.005 176 V HN 0.842 nan 8.190 nan 0.000 0.428 177 D N 3.668 124.126 120.400 0.097 0.000 3.729 177 D HA -0.177 4.448 4.640 -0.024 0.000 0.242 177 D C 0.358 176.709 176.300 0.085 0.000 1.091 177 D CA 1.378 55.430 54.000 0.087 0.000 1.096 177 D CB -0.860 39.984 40.800 0.074 0.000 0.901 177 D HN 1.064 nan 8.370 nan 0.000 0.416 178 D N 1.554 122.003 120.400 0.083 0.000 2.837 178 D HA -0.168 4.458 4.640 -0.024 0.000 0.230 178 D C 1.112 177.447 176.300 0.058 0.000 1.152 178 D CA 2.974 57.012 54.000 0.064 0.000 0.736 178 D CB -1.232 39.599 40.800 0.053 0.000 1.084 178 D HN 1.475 nan 8.370 nan 0.000 0.429 179 G N -1.551 107.302 108.800 0.088 0.000 2.166 179 G HA2 -0.358 3.587 3.960 -0.024 0.000 0.260 179 G HA3 -0.358 3.587 3.960 -0.024 0.000 0.260 179 G C 1.103 176.100 174.900 0.162 0.000 0.986 179 G CA 0.671 45.832 45.100 0.101 0.000 0.683 179 G HN 0.566 nan 8.290 nan 0.000 0.527 180 L N -0.704 120.596 121.223 0.129 0.000 2.127 180 L HA 0.347 4.672 4.340 -0.024 0.000 0.203 180 L C 1.693 178.633 176.870 0.117 0.000 1.080 180 L CA 0.472 55.376 54.840 0.107 0.000 0.768 180 L CB -0.049 42.053 42.059 0.072 0.000 0.924 180 L HN 0.250 nan 8.230 nan 0.000 0.444 181 I N -0.434 120.202 120.570 0.111 0.000 2.428 181 I HA 0.068 4.223 4.170 -0.024 0.000 0.289 181 I C 0.257 176.413 176.117 0.065 0.000 1.019 181 I CA 0.289 61.633 61.300 0.074 0.000 1.351 181 I CB 1.474 39.504 38.000 0.051 0.000 1.412 181 I HN -0.061 nan 8.210 nan 0.000 0.513 182 S N 6.929 122.622 115.700 -0.011 0.000 2.532 182 S HA 0.760 5.216 4.470 -0.024 0.000 0.299 182 S C -0.802 173.686 174.600 -0.186 0.000 1.105 182 S CA -0.598 57.499 58.200 -0.171 0.000 1.018 182 S CB 0.705 63.863 63.200 -0.071 0.000 1.021 182 S HN 0.400 nan 8.310 nan 0.000 0.483 183 L N 3.483 124.539 121.223 -0.278 0.000 2.401 183 L HA 0.605 4.930 4.340 -0.024 0.000 0.266 183 L C -0.409 176.354 176.870 -0.179 0.000 0.991 183 L CA -0.777 53.961 54.840 -0.169 0.000 0.818 183 L CB 2.151 44.141 42.059 -0.116 0.000 1.321 183 L HN 0.547 nan 8.230 nan 0.000 0.413 184 Q N 1.415 121.150 119.800 -0.108 0.000 2.322 184 Q HA 0.456 4.781 4.340 -0.024 0.000 0.265 184 Q C -1.221 174.746 176.000 -0.056 0.000 0.985 184 Q CA -0.685 55.069 55.803 -0.083 0.000 0.849 184 Q CB 2.256 30.959 28.738 -0.058 0.000 1.274 184 Q HN 0.485 nan 8.270 nan 0.000 0.449 185 V N 4.267 124.150 119.914 -0.052 0.000 2.479 185 V HA 0.148 4.253 4.120 -0.024 0.000 0.281 185 V C 1.035 177.113 176.094 -0.028 0.000 1.031 185 V CA 1.209 63.487 62.300 -0.038 0.000 1.038 185 V CB 0.361 32.159 31.823 -0.042 0.000 0.981 185 V HN 0.990 nan 8.190 nan 0.000 0.478 186 K N 3.329 123.718 120.400 -0.017 0.000 2.240 186 K HA 0.581 4.886 4.320 -0.024 0.000 0.202 186 K C 0.867 177.463 176.600 -0.007 0.000 1.053 186 K CA 1.242 57.523 56.287 -0.009 0.000 0.973 186 K CB -0.112 32.387 32.500 -0.002 0.000 0.924 186 K HN 0.940 nan 8.250 nan 0.000 0.477 187 Q N 0.344 120.144 119.800 -0.000 0.000 2.456 187 Q HA 0.702 5.027 4.340 -0.024 0.000 0.283 187 Q C -1.237 174.731 176.000 -0.054 0.000 1.084 187 Q CA -0.846 54.952 55.803 -0.008 0.000 0.801 187 Q CB 1.150 29.910 28.738 0.037 0.000 1.434 187 Q HN 0.496 nan 8.270 nan 0.000 0.419 188 K N -0.139 120.186 120.400 -0.125 0.000 2.259 188 K HA 0.822 5.128 4.320 -0.024 0.000 0.252 188 K C -0.069 176.241 176.600 -0.483 0.000 0.936 188 K CA -0.483 55.645 56.287 -0.265 0.000 0.810 188 K CB 2.373 34.751 32.500 -0.203 0.000 1.143 188 K HN 0.862 nan 8.250 nan 0.000 0.427 189 G N -0.184 108.004 108.800 -1.020 0.000 3.042 189 G HA2 0.495 4.441 3.960 -0.024 0.000 0.278 189 G HA3 0.495 4.441 3.960 -0.024 0.000 0.278 189 G C 0.472 174.895 174.900 -0.794 0.000 1.371 189 G CA -0.364 43.888 45.100 -1.412 0.000 1.009 189 G HN 0.547 nan 8.290 nan 0.000 0.523 190 A N -0.222 122.349 122.820 -0.416 0.000 1.892 190 A HA 0.008 4.313 4.320 -0.024 0.000 0.218 190 A C 1.407 178.912 177.584 -0.131 0.000 1.188 190 A CA 2.575 54.520 52.037 -0.152 0.000 0.631 190 A CB -0.290 18.715 19.000 0.009 0.000 0.822 190 A HN 0.757 nan 8.150 nan 0.000 0.447 191 D N -2.527 117.847 120.400 -0.044 0.000 2.865 191 D HA 0.364 4.990 4.640 -0.024 0.000 0.347 191 D C -0.288 176.106 176.300 0.157 0.000 1.498 191 D CA -0.433 53.590 54.000 0.038 0.000 0.787 191 D CB -0.848 40.020 40.800 0.112 0.000 1.190 191 D HN 0.451 nan 8.370 nan 0.000 0.445 192 F N -1.544 118.376 119.950 -0.051 0.000 2.745 192 F HA 0.763 5.275 4.527 -0.025 0.000 0.316 192 F C -2.169 173.593 175.800 -0.063 0.000 1.155 192 F CA -1.422 56.542 58.000 -0.059 0.000 0.937 192 F CB 1.390 40.357 39.000 -0.055 0.000 1.361 192 F HN -0.215 nan 8.300 nan 0.000 0.472 193 L N 2.321 123.637 121.223 0.155 0.000 2.516 193 L HA 0.585 4.910 4.340 -0.024 0.000 0.267 193 L C -1.252 175.699 176.870 0.135 0.000 0.957 193 L CA -1.033 53.839 54.840 0.053 0.000 0.860 193 L CB 2.101 44.145 42.059 -0.025 0.000 1.265 193 L HN 0.590 nan 8.230 nan 0.000 0.403 194 V N 1.611 121.610 119.914 0.141 0.000 2.432 194 V HA 0.595 4.700 4.120 -0.024 0.000 0.275 194 V C 0.457 176.569 176.094 0.031 0.000 1.043 194 V CA -0.185 62.169 62.300 0.090 0.000 0.925 194 V CB 1.374 33.257 31.823 0.100 0.000 0.985 194 V HN 0.884 nan 8.190 nan 0.000 0.466 195 T N 1.221 115.781 114.554 0.010 0.000 2.906 195 T HA 0.838 5.173 4.350 -0.024 0.000 0.295 195 T C -0.529 174.163 174.700 -0.015 0.000 1.061 195 T CA -0.159 61.934 62.100 -0.011 0.000 1.000 195 T CB 2.063 70.916 68.868 -0.026 0.000 1.103 195 T HN 0.871 nan 8.240 nan 0.000 0.486 196 E N 0.537 120.723 120.200 -0.022 0.000 2.179 196 E HA 0.722 5.057 4.350 -0.024 0.000 0.275 196 E C 0.166 176.748 176.600 -0.030 0.000 0.945 196 E CA -0.712 55.675 56.400 -0.021 0.000 0.792 196 E CB 1.039 30.729 29.700 -0.017 0.000 1.125 196 E HN 1.639 nan 8.360 nan 0.000 0.397 197 V N 1.791 121.692 119.914 -0.023 0.000 2.403 197 V HA 0.306 4.412 4.120 -0.024 0.000 0.265 197 V C 0.957 177.037 176.094 -0.022 0.000 1.034 197 V CA 1.016 63.301 62.300 -0.024 0.000 1.036 197 V CB 0.254 32.070 31.823 -0.011 0.000 1.032 197 V HN 0.991 nan 8.190 nan 0.000 0.478 198 E N 3.740 123.919 120.200 -0.035 0.000 2.060 198 E HA 0.029 4.364 4.350 -0.024 0.000 0.189 198 E C 0.355 176.952 176.600 -0.006 0.000 0.974 198 E CA 0.673 57.057 56.400 -0.025 0.000 0.808 198 E CB 0.307 29.980 29.700 -0.046 0.000 0.768 198 E HN 0.848 nan 8.360 nan 0.000 0.453 199 N N -0.057 118.642 118.700 -0.002 0.000 2.346 199 N HA 0.263 4.988 4.740 -0.024 0.000 0.289 199 N C -0.549 174.971 175.510 0.017 0.000 1.027 199 N CA -0.152 52.909 53.050 0.019 0.000 0.864 199 N CB 1.916 40.429 38.487 0.044 0.000 1.370 199 N HN 0.138 nan 8.380 nan 0.000 0.481 200 G N -0.212 108.599 108.800 0.018 0.000 2.606 200 G HA2 0.789 4.735 3.960 -0.024 0.000 0.262 200 G HA3 0.789 4.735 3.960 -0.024 0.000 0.262 200 G C 0.032 174.946 174.900 0.024 0.000 1.394 200 G CA -0.083 45.027 45.100 0.018 0.000 1.044 200 G HN 0.723 nan 8.290 nan 0.000 0.553 201 G N -1.859 106.955 108.800 0.023 0.000 2.347 201 G HA2 0.460 4.405 3.960 -0.024 0.000 0.341 201 G HA3 0.460 4.405 3.960 -0.024 0.000 0.341 201 G C -0.138 174.777 174.900 0.026 0.000 1.287 201 G CA 0.205 45.320 45.100 0.025 0.000 0.984 201 G HN 1.763 nan 8.290 nan 0.000 0.526 202 S N -1.070 114.646 115.700 0.026 0.000 2.549 202 S HA 0.581 5.037 4.470 -0.024 0.000 0.279 202 S C -0.151 174.468 174.600 0.032 0.000 1.321 202 S CA -0.200 58.016 58.200 0.026 0.000 1.054 202 S CB 1.650 64.864 63.200 0.024 0.000 0.899 202 S HN 1.824 nan 8.310 nan 0.000 0.497 203 L N 3.473 124.715 121.223 0.033 0.000 2.319 203 L HA 0.788 5.113 4.340 -0.024 0.000 0.281 203 L C 0.255 177.150 176.870 0.042 0.000 1.005 203 L CA 0.058 54.922 54.840 0.040 0.000 0.828 203 L CB 1.002 43.085 42.059 0.040 0.000 1.227 203 L HN 0.959 nan 8.230 nan 0.000 0.415 204 G N 2.430 111.257 108.800 0.046 0.000 2.671 204 G HA2 0.538 4.484 3.960 -0.024 0.000 0.275 204 G HA3 0.538 4.484 3.960 -0.024 0.000 0.275 204 G C -0.965 173.971 174.900 0.059 0.000 1.368 204 G CA -0.673 44.453 45.100 0.045 0.000 1.044 204 G HN 0.582 nan 8.290 nan 0.000 0.543 205 S N -0.232 115.502 115.700 0.057 0.000 2.562 205 S HA 0.352 4.807 4.470 -0.024 0.000 0.275 205 S C -0.046 174.609 174.600 0.092 0.000 1.281 205 S CA -0.425 57.819 58.200 0.073 0.000 1.045 205 S CB 1.029 64.262 63.200 0.055 0.000 0.962 205 S HN 0.558 nan 8.310 nan 0.000 0.503 206 K N 0.570 121.044 120.400 0.124 0.000 3.257 206 K HA -0.149 4.157 4.320 -0.024 0.000 0.270 206 K C -0.680 176.001 176.600 0.136 0.000 0.984 206 K CA 0.527 56.901 56.287 0.144 0.000 0.739 206 K CB -1.020 31.566 32.500 0.144 0.000 1.351 206 K HN 0.346 nan 8.250 nan 0.000 0.463 207 K N 0.345 120.816 120.400 0.117 0.000 2.098 207 K HA 0.305 4.610 4.320 -0.024 0.000 0.261 207 K C 0.828 177.488 176.600 0.100 0.000 0.987 207 K CA -0.243 56.109 56.287 0.108 0.000 0.916 207 K CB 1.226 33.780 32.500 0.090 0.000 1.039 207 K HN 0.304 nan 8.250 nan 0.000 0.455 208 G N 0.505 109.368 108.800 0.104 0.000 2.406 208 G HA2 0.355 4.300 3.960 -0.024 0.000 0.251 208 G HA3 0.355 4.300 3.960 -0.024 0.000 0.251 208 G C -0.524 174.424 174.900 0.081 0.000 1.271 208 G CA -0.386 44.770 45.100 0.094 0.000 0.859 208 G HN 0.215 nan 8.290 nan 0.000 0.540 209 V N 2.835 122.781 119.914 0.053 0.000 2.555 209 V HA 0.383 4.488 4.120 -0.024 0.000 0.302 209 V C -0.381 175.742 176.094 0.048 0.000 1.038 209 V CA -1.013 61.320 62.300 0.054 0.000 0.887 209 V CB 1.910 33.747 31.823 0.024 0.000 0.991 209 V HN 0.784 nan 8.190 nan 0.000 0.434 210 N N 3.532 122.294 118.700 0.105 0.000 2.269 210 N HA 0.716 5.441 4.740 -0.024 0.000 0.304 210 N C -1.102 174.500 175.510 0.154 0.000 1.072 210 N CA -0.635 52.477 53.050 0.104 0.000 0.802 210 N CB 2.170 40.722 38.487 0.109 0.000 1.348 210 N HN 0.567 nan 8.380 nan 0.000 0.484 211 L N 2.567 123.848 121.223 0.098 0.000 2.502 211 L HA 0.403 4.728 4.340 -0.024 0.000 0.247 211 L C -1.825 175.105 176.870 0.099 0.000 1.180 211 L CA -1.381 53.523 54.840 0.107 0.000 0.956 211 L CB 1.215 43.316 42.059 0.070 0.000 1.282 211 L HN 0.398 nan 8.230 nan 0.000 0.470 212 P HA -0.109 nan 4.420 nan 0.000 0.218 212 P C 1.708 179.054 177.300 0.077 0.000 1.149 212 P CA 0.968 64.122 63.100 0.091 0.000 0.817 212 P CB 0.358 32.105 31.700 0.077 0.000 0.785 213 G N -0.385 108.466 108.800 0.086 0.000 2.432 213 G HA2 -0.028 3.917 3.960 -0.024 0.000 0.219 213 G HA3 -0.028 3.917 3.960 -0.024 0.000 0.219 213 G C 0.674 175.593 174.900 0.032 0.000 1.135 213 G CA 0.695 45.827 45.100 0.053 0.000 0.767 213 G HN 0.503 nan 8.290 nan 0.000 0.550 214 A N -0.423 122.420 122.820 0.037 0.000 2.306 214 A HA 0.776 5.082 4.320 -0.024 0.000 0.330 214 A C 0.214 177.809 177.584 0.019 0.000 1.146 214 A CA 0.097 52.152 52.037 0.029 0.000 0.827 214 A CB 1.293 20.322 19.000 0.048 0.000 1.178 214 A HN 0.893 nan 8.150 nan 0.000 0.490 215 A N 1.834 124.664 122.820 0.017 0.000 2.650 215 A HA 0.518 4.824 4.320 -0.024 0.000 0.320 215 A C -0.042 177.557 177.584 0.025 0.000 1.466 215 A CA -0.297 51.745 52.037 0.009 0.000 1.099 215 A CB -0.743 18.259 19.000 0.003 0.000 1.136 215 A HN 0.846 nan 8.150 nan 0.000 0.532 216 V N 3.172 123.079 119.914 -0.011 0.000 2.529 216 V HA 0.057 4.162 4.120 -0.024 0.000 0.292 216 V C 0.709 176.770 176.094 -0.055 0.000 1.028 216 V CA 0.655 62.920 62.300 -0.059 0.000 1.074 216 V CB 0.941 32.615 31.823 -0.248 0.000 0.958 216 V HN 0.961 nan 8.190 nan 0.000 0.481 217 D N 3.691 124.110 120.400 0.031 0.000 2.525 217 D HA 0.164 4.789 4.640 -0.024 0.000 0.229 217 D C 0.196 176.505 176.300 0.016 0.000 1.202 217 D CA -0.308 53.715 54.000 0.039 0.000 0.828 217 D CB -0.060 40.792 40.800 0.087 0.000 1.008 217 D HN 0.392 nan 8.370 nan 0.000 0.493 218 L N 0.401 121.573 121.223 -0.085 0.000 2.464 218 L HA 0.311 4.637 4.340 -0.024 0.000 0.264 218 L C -1.676 175.163 176.870 -0.051 0.000 1.199 218 L CA -1.715 53.073 54.840 -0.087 0.000 0.818 218 L CB -0.000 41.919 42.059 -0.233 0.000 1.102 218 L HN -0.091 nan 8.230 nan 0.000 0.473 219 P HA 0.066 nan 4.420 nan 0.000 0.271 219 P C -0.005 177.292 177.300 -0.005 0.000 1.216 219 P CA -0.217 62.880 63.100 -0.004 0.000 0.776 219 P CB 0.928 32.634 31.700 0.010 0.000 0.881 220 A N 2.935 125.760 122.820 0.009 0.000 1.908 220 A HA -0.054 4.251 4.320 -0.024 0.000 0.218 220 A C 0.764 178.369 177.584 0.035 0.000 1.181 220 A CA 1.542 53.594 52.037 0.025 0.000 0.627 220 A CB -0.551 18.463 19.000 0.024 0.000 0.818 220 A HN 0.433 nan 8.150 nan 0.000 0.445 221 V N 1.003 120.935 119.914 0.029 0.000 2.398 221 V HA 0.355 4.461 4.120 -0.024 0.000 0.282 221 V C 0.138 176.251 176.094 0.031 0.000 1.014 221 V CA -0.317 62.002 62.300 0.032 0.000 0.838 221 V CB 0.957 32.798 31.823 0.029 0.000 1.018 221 V HN 0.542 nan 8.190 nan 0.000 0.432 222 S N 2.423 118.143 115.700 0.034 0.000 2.661 222 S HA 0.286 4.742 4.470 -0.024 0.000 0.265 222 S C 1.144 175.768 174.600 0.040 0.000 1.225 222 S CA 0.141 58.361 58.200 0.034 0.000 0.986 222 S CB 1.333 64.553 63.200 0.034 0.000 1.008 222 S HN 0.783 nan 8.310 nan 0.000 0.565 223 E N 0.660 120.884 120.200 0.041 0.000 2.077 223 E HA -0.234 4.102 4.350 -0.024 0.000 0.193 223 E C 1.996 178.628 176.600 0.054 0.000 0.989 223 E CA 1.392 57.818 56.400 0.044 0.000 0.800 223 E CB -0.207 29.517 29.700 0.041 0.000 0.746 223 E HN 0.739 nan 8.360 nan 0.000 0.452 224 K N 0.304 120.738 120.400 0.057 0.000 2.063 224 K HA -0.196 4.109 4.320 -0.024 0.000 0.208 224 K C 1.642 178.297 176.600 0.091 0.000 1.048 224 K CA 1.954 58.285 56.287 0.074 0.000 0.928 224 K CB -0.007 32.538 32.500 0.075 0.000 0.713 224 K HN 0.100 nan 8.250 nan 0.000 0.442 225 D N 0.784 121.226 120.400 0.069 0.000 2.144 225 D HA -0.157 4.468 4.640 -0.024 0.000 0.199 225 D C 1.944 178.269 176.300 0.041 0.000 0.984 225 D CA 1.166 55.196 54.000 0.049 0.000 0.834 225 D CB -0.162 40.662 40.800 0.041 0.000 0.955 225 D HN 0.323 nan 8.370 nan 0.000 0.465 226 I N 0.886 121.486 120.570 0.050 0.000 2.163 226 I HA -0.311 3.844 4.170 -0.024 0.000 0.243 226 I C 2.454 178.618 176.117 0.079 0.000 1.085 226 I CA 1.209 62.540 61.300 0.051 0.000 1.347 226 I CB -0.236 37.793 38.000 0.049 0.000 1.044 226 I HN -0.016 nan 8.210 nan 0.000 0.408 227 Q N 0.373 120.240 119.800 0.112 0.000 2.084 227 Q HA -0.229 4.097 4.340 -0.024 0.000 0.202 227 Q C 1.774 177.937 176.000 0.272 0.000 0.978 227 Q CA 1.650 57.570 55.803 0.194 0.000 0.844 227 Q CB -0.146 28.698 28.738 0.177 0.000 0.898 227 Q HN 0.487 nan 8.270 nan 0.000 0.426 228 D N 0.457 120.972 120.400 0.191 0.000 2.149 228 D HA -0.083 4.543 4.640 -0.024 0.000 0.201 228 D C 1.877 178.109 176.300 -0.113 0.000 0.972 228 D CA 0.829 54.849 54.000 0.034 0.000 0.835 228 D CB -0.047 40.706 40.800 -0.079 0.000 0.966 228 D HN 0.195 nan 8.370 nan 0.000 0.476 229 L N 0.563 121.749 121.223 -0.062 0.000 2.093 229 L HA -0.106 4.220 4.340 -0.024 0.000 0.208 229 L C 2.438 179.291 176.870 -0.028 0.000 1.085 229 L CA 0.922 55.718 54.840 -0.073 0.000 0.755 229 L CB -0.259 41.774 42.059 -0.044 0.000 0.904 229 L HN -0.030 nan 8.230 nan 0.000 0.435 230 K N 0.319 120.739 120.400 0.032 0.000 2.032 230 K HA -0.266 4.040 4.320 -0.024 0.000 0.209 230 K C 2.228 178.859 176.600 0.052 0.000 1.048 230 K CA 1.799 58.117 56.287 0.051 0.000 0.927 230 K CB -0.284 32.274 32.500 0.096 0.000 0.712 230 K HN 0.116 nan 8.250 nan 0.000 0.441 231 F N 1.128 121.022 119.950 -0.093 0.000 2.126 231 F HA -0.110 4.402 4.527 -0.026 0.000 0.299 231 F C 1.928 177.636 175.800 -0.153 0.000 1.096 231 F CA 2.044 59.947 58.000 -0.162 0.000 1.255 231 F CB -0.719 38.002 39.000 -0.466 0.000 0.997 231 F HN 0.135 nan 8.300 nan 0.000 0.479 232 G N -0.106 108.617 108.800 -0.129 0.000 2.418 232 G HA2 -0.215 3.730 3.960 -0.024 0.000 0.217 232 G HA3 -0.215 3.730 3.960 -0.024 0.000 0.217 232 G C 1.715 176.497 174.900 -0.197 0.000 1.158 232 G CA 1.180 46.154 45.100 -0.211 0.000 0.771 232 G HN 0.355 nan 8.290 nan 0.000 0.545 233 V N 0.756 120.589 119.914 -0.135 0.000 2.295 233 V HA -0.176 3.930 4.120 -0.024 0.000 0.246 233 V C 2.663 178.681 176.094 -0.126 0.000 1.049 233 V CA 2.239 64.478 62.300 -0.101 0.000 1.024 233 V CB -0.582 31.206 31.823 -0.057 0.000 0.648 233 V HN 0.467 nan 8.190 nan 0.000 0.447 234 E N -0.254 119.854 120.200 -0.154 0.000 2.118 234 E HA -0.226 4.109 4.350 -0.024 0.000 0.195 234 E C 2.078 178.539 176.600 -0.232 0.000 0.992 234 E CA 1.078 57.379 56.400 -0.165 0.000 0.804 234 E CB -0.107 29.502 29.700 -0.152 0.000 0.741 234 E HN 0.547 nan 8.360 nan 0.000 0.458 235 Q N 0.425 120.002 119.800 -0.372 0.000 2.365 235 Q HA -0.034 4.291 4.340 -0.024 0.000 0.203 235 Q C -0.242 175.642 176.000 -0.192 0.000 0.929 235 Q CA 0.313 55.903 55.803 -0.354 0.000 0.948 235 Q CB 0.466 28.845 28.738 -0.599 0.000 1.043 235 Q HN 0.179 nan 8.270 nan 0.000 0.505 236 D N 0.244 120.555 120.400 -0.148 0.000 2.746 236 D HA -0.144 4.481 4.640 -0.024 0.000 0.236 236 D C -0.178 176.078 176.300 -0.072 0.000 1.129 236 D CA 0.575 54.524 54.000 -0.086 0.000 0.691 236 D CB -1.317 39.449 40.800 -0.056 0.000 1.077 236 D HN 0.182 nan 8.370 nan 0.000 0.432 237 V N -2.669 117.187 119.914 -0.098 0.000 3.096 237 V HA 0.245 4.350 4.120 -0.024 0.000 0.306 237 V C 1.406 177.466 176.094 -0.057 0.000 1.088 237 V CA 0.443 62.694 62.300 -0.083 0.000 1.129 237 V CB 1.244 32.996 31.823 -0.117 0.000 1.014 237 V HN 0.056 nan 8.190 nan 0.000 0.486 238 D N 2.638 123.012 120.400 -0.043 0.000 2.271 238 D HA 0.168 4.794 4.640 -0.024 0.000 0.206 238 D C 0.622 176.914 176.300 -0.012 0.000 0.967 238 D CA 1.493 55.488 54.000 -0.008 0.000 0.867 238 D CB 0.435 41.251 40.800 0.025 0.000 0.960 238 D HN 0.828 nan 8.370 nan 0.000 0.509 239 M N -1.304 118.258 119.600 -0.064 0.000 2.534 239 M HA 0.440 4.905 4.480 -0.024 0.000 0.280 239 M C -1.806 174.403 176.300 -0.151 0.000 1.217 239 M CA -0.904 54.364 55.300 -0.053 0.000 0.893 239 M CB 2.825 35.440 32.600 0.025 0.000 1.730 239 M HN -0.440 nan 8.290 nan 0.000 0.483 240 V N 2.508 122.382 119.914 -0.067 0.000 2.448 240 V HA 0.541 4.647 4.120 -0.024 0.000 0.295 240 V C -1.219 174.956 176.094 0.134 0.000 1.025 240 V CA -0.361 61.891 62.300 -0.080 0.000 0.859 240 V CB 1.699 33.491 31.823 -0.052 0.000 0.988 240 V HN 0.664 nan 8.190 nan 0.000 0.431 241 F N 3.544 123.462 119.950 -0.052 0.000 2.350 241 F HA 0.622 5.135 4.527 -0.024 0.000 0.365 241 F C 0.720 176.481 175.800 -0.064 0.000 1.122 241 F CA -1.577 56.390 58.000 -0.055 0.000 1.139 241 F CB 0.896 39.868 39.000 -0.047 0.000 1.220 241 F HN 0.515 nan 8.300 nan 0.000 0.499 242 A N 2.883 125.770 122.820 0.111 0.000 2.279 242 A HA 0.514 4.819 4.320 -0.024 0.000 0.306 242 A C 0.409 177.988 177.584 -0.009 0.000 1.300 242 A CA -0.398 51.661 52.037 0.037 0.000 0.925 242 A CB -0.057 18.956 19.000 0.021 0.000 1.152 242 A HN 0.591 nan 8.150 nan 0.000 0.544 243 S N 1.469 117.152 115.700 -0.029 0.000 2.549 243 S HA 0.386 4.841 4.470 -0.024 0.000 0.283 243 S C -0.001 174.570 174.600 -0.049 0.000 1.320 243 S CA 0.119 58.202 58.200 -0.194 0.000 1.058 243 S CB -0.466 62.591 63.200 -0.239 0.000 0.882 243 S HN 0.829 nan 8.310 nan 0.000 0.498 244 F N -0.543 119.406 119.950 -0.002 0.000 3.043 244 F HA -0.161 4.353 4.527 -0.021 0.000 0.290 244 F C 0.220 176.012 175.800 -0.013 0.000 0.844 244 F CA -0.344 57.649 58.000 -0.011 0.000 1.184 244 F CB -1.641 37.346 39.000 -0.022 0.000 1.246 244 F HN 0.405 nan 8.300 nan 0.000 0.536 245 I N 1.462 122.079 120.570 0.078 0.000 2.587 245 I HA -0.012 4.143 4.170 -0.024 0.000 0.284 245 I C 1.493 177.639 176.117 0.049 0.000 1.134 245 I CA 0.732 62.057 61.300 0.042 0.000 1.410 245 I CB 0.845 38.838 38.000 -0.010 0.000 1.392 245 I HN 0.342 nan 8.210 nan 0.000 0.545 246 R N 5.234 125.759 120.500 0.041 0.000 2.307 246 R HA 0.162 4.487 4.340 -0.024 0.000 0.200 246 R C -0.090 176.218 176.300 0.014 0.000 0.893 246 R CA 0.213 56.338 56.100 0.041 0.000 1.042 246 R CB 0.501 30.825 30.300 0.040 0.000 1.059 246 R HN 0.649 nan 8.270 nan 0.000 0.530 247 K N -2.558 117.832 120.400 -0.018 0.000 2.658 247 K HA 0.445 4.750 4.320 -0.024 0.000 0.293 247 K C -0.246 176.295 176.600 -0.098 0.000 1.026 247 K CA -0.299 55.964 56.287 -0.040 0.000 0.871 247 K CB 0.858 33.347 32.500 -0.018 0.000 1.524 247 K HN -0.160 nan 8.250 nan 0.000 0.400 248 A N 0.884 123.625 122.820 -0.132 0.000 1.972 248 A HA -0.162 4.143 4.320 -0.024 0.000 0.219 248 A C 2.078 179.418 177.584 -0.408 0.000 1.169 248 A CA 2.267 54.129 52.037 -0.293 0.000 0.635 248 A CB -1.070 17.792 19.000 -0.230 0.000 0.810 248 A HN 0.840 nan 8.150 nan 0.000 0.446 249 S N 0.301 115.925 115.700 -0.126 0.000 2.419 249 S HA -0.179 4.276 4.470 -0.024 0.000 0.233 249 S C 1.303 175.889 174.600 -0.023 0.000 1.016 249 S CA 1.373 59.579 58.200 0.010 0.000 0.974 249 S CB -0.462 62.776 63.200 0.064 0.000 0.786 249 S HN 0.519 nan 8.310 nan 0.000 0.492 250 D N 1.818 122.184 120.400 -0.057 0.000 2.117 250 D HA -0.032 4.593 4.640 -0.024 0.000 0.197 250 D C 2.159 178.428 176.300 -0.051 0.000 0.987 250 D CA 1.116 55.098 54.000 -0.030 0.000 0.829 250 D CB -0.613 40.176 40.800 -0.018 0.000 0.961 250 D HN 0.373 nan 8.370 nan 0.000 0.460 251 V N 0.787 120.619 119.914 -0.137 0.000 2.295 251 V HA -0.255 3.851 4.120 -0.024 0.000 0.246 251 V C 2.033 178.086 176.094 -0.068 0.000 1.049 251 V CA 1.764 63.979 62.300 -0.141 0.000 1.024 251 V CB -0.853 30.828 31.823 -0.237 0.000 0.648 251 V HN 0.323 nan 8.190 nan 0.000 0.447 252 H N -0.426 118.639 119.070 -0.009 0.000 2.387 252 H HA -0.185 4.356 4.556 -0.024 0.000 0.299 252 H C 2.412 177.739 175.328 -0.001 0.000 1.090 252 H CA 1.423 57.467 56.048 -0.006 0.000 1.332 252 H CB 0.138 29.896 29.762 -0.007 0.000 1.386 252 H HN 0.403 nan 8.280 nan 0.000 0.516 253 E N 0.726 120.992 120.200 0.109 0.000 2.051 253 E HA -0.132 4.203 4.350 -0.024 0.000 0.192 253 E C 2.244 178.871 176.600 0.046 0.000 0.991 253 E CA 1.078 57.517 56.400 0.065 0.000 0.799 253 E CB -0.186 29.541 29.700 0.044 0.000 0.748 253 E HN 0.189 nan 8.360 nan 0.000 0.449 254 V N 0.534 120.468 119.914 0.033 0.000 2.343 254 V HA -0.246 3.860 4.120 -0.024 0.000 0.247 254 V C 2.475 178.584 176.094 0.025 0.000 1.051 254 V CA 2.047 64.359 62.300 0.021 0.000 1.036 254 V CB -0.547 31.283 31.823 0.010 0.000 0.654 254 V HN 0.194 nan 8.190 nan 0.000 0.451 255 R N 0.688 121.213 120.500 0.042 0.000 2.081 255 R HA -0.142 4.183 4.340 -0.024 0.000 0.235 255 R C 2.219 178.540 176.300 0.036 0.000 1.131 255 R CA 1.725 57.852 56.100 0.045 0.000 0.960 255 R CB -0.357 29.991 30.300 0.079 0.000 0.856 255 R HN 0.460 nan 8.270 nan 0.000 0.436 256 K N -0.777 119.649 120.400 0.042 0.000 2.103 256 K HA -0.029 4.276 4.320 -0.024 0.000 0.204 256 K C 1.910 178.522 176.600 0.021 0.000 1.052 256 K CA 1.266 57.569 56.287 0.028 0.000 0.945 256 K CB 0.034 32.553 32.500 0.031 0.000 0.722 256 K HN 0.007 nan 8.250 nan 0.000 0.443 257 V N 1.802 121.729 119.914 0.022 0.000 2.358 257 V HA -0.225 3.881 4.120 -0.024 0.000 0.246 257 V C 2.151 178.252 176.094 0.011 0.000 1.047 257 V CA 1.532 63.843 62.300 0.018 0.000 1.035 257 V CB -0.338 31.496 31.823 0.018 0.000 0.658 257 V HN 0.279 nan 8.190 nan 0.000 0.452 258 L N -0.358 120.869 121.223 0.007 0.000 2.083 258 L HA 0.071 4.397 4.340 -0.024 0.000 0.209 258 L C 1.671 178.542 176.870 0.002 0.000 1.083 258 L CA 1.137 55.977 54.840 -0.001 0.000 0.752 258 L CB -1.090 40.967 42.059 -0.004 0.000 0.899 258 L HN 0.590 nan 8.230 nan 0.000 0.433 259 G N -0.151 108.653 108.800 0.007 0.000 2.575 259 G HA2 -0.378 3.567 3.960 -0.024 0.000 0.267 259 G HA3 -0.378 3.567 3.960 -0.024 0.000 0.267 259 G C 0.696 175.598 174.900 0.004 0.000 1.264 259 G CA 0.448 45.552 45.100 0.007 0.000 0.935 259 G HN 0.264 nan 8.290 nan 0.000 0.568 260 E N 0.125 120.327 120.200 0.003 0.000 2.112 260 E HA -0.077 4.259 4.350 -0.024 0.000 0.190 260 E C 2.875 179.475 176.600 -0.000 0.000 0.979 260 E CA 1.651 58.052 56.400 0.002 0.000 0.814 260 E CB -0.194 29.507 29.700 0.002 0.000 0.762 260 E HN 0.361 nan 8.360 nan 0.000 0.460 261 K N -0.766 119.633 120.400 -0.002 0.000 2.209 261 K HA -0.040 4.265 4.320 -0.024 0.000 0.204 261 K C 1.852 178.446 176.600 -0.010 0.000 1.048 261 K CA 0.941 57.225 56.287 -0.006 0.000 0.940 261 K CB -0.514 31.982 32.500 -0.008 0.000 0.729 261 K HN 0.358 nan 8.250 nan 0.000 0.451 262 G N 1.367 110.162 108.800 -0.008 0.000 3.434 262 G HA2 0.009 3.954 3.960 -0.024 0.000 0.258 262 G HA3 0.009 3.954 3.960 -0.024 0.000 0.258 262 G C 1.111 176.009 174.900 -0.002 0.000 1.128 262 G CA -0.046 45.047 45.100 -0.011 0.000 0.792 262 G HN 0.566 nan 8.290 nan 0.000 0.539 263 K N 0.020 120.421 120.400 0.002 0.000 2.209 263 K HA -0.030 4.275 4.320 -0.024 0.000 0.204 263 K C 1.228 177.837 176.600 0.014 0.000 1.048 263 K CA 0.988 57.281 56.287 0.009 0.000 0.940 263 K CB -0.062 32.443 32.500 0.008 0.000 0.729 263 K HN 0.046 nan 8.250 nan 0.000 0.451 264 N N 0.780 119.488 118.700 0.013 0.000 2.336 264 N HA 0.146 4.872 4.740 -0.024 0.000 0.189 264 N C 0.035 175.560 175.510 0.025 0.000 1.113 264 N CA 0.181 53.245 53.050 0.022 0.000 0.858 264 N CB 0.218 38.717 38.487 0.021 0.000 0.970 264 N HN 0.232 nan 8.380 nan 0.000 0.471 265 I N 2.003 122.581 120.570 0.013 0.000 2.471 265 I HA -0.004 4.152 4.170 -0.024 0.000 0.286 265 I C 0.356 176.486 176.117 0.022 0.000 1.079 265 I CA -0.321 60.984 61.300 0.008 0.000 1.398 265 I CB 0.556 38.547 38.000 -0.015 0.000 1.403 265 I HN -0.346 nan 8.210 nan 0.000 0.530 266 K N 7.512 127.933 120.400 0.036 0.000 2.298 266 K HA 0.399 4.705 4.320 -0.024 0.000 0.280 266 K C -0.358 176.271 176.600 0.049 0.000 1.032 266 K CA -0.110 56.206 56.287 0.049 0.000 0.958 266 K CB 0.880 33.420 32.500 0.066 0.000 0.978 266 K HN 0.503 nan 8.250 nan 0.000 0.472 267 I N 4.770 125.364 120.570 0.040 0.000 2.307 267 I HA 0.156 4.311 4.170 -0.024 0.000 0.289 267 I C -0.095 176.044 176.117 0.036 0.000 1.021 267 I CA -0.717 60.606 61.300 0.039 0.000 1.224 267 I CB 0.738 38.747 38.000 0.016 0.000 1.376 267 I HN 0.180 nan 8.210 nan 0.000 0.470 268 I N 5.388 126.009 120.570 0.086 0.000 2.307 268 I HA 0.204 4.359 4.170 -0.024 0.000 0.289 268 I C 0.441 176.551 176.117 -0.011 0.000 1.021 268 I CA -0.171 61.141 61.300 0.019 0.000 1.224 268 I CB 0.999 39.005 38.000 0.010 0.000 1.376 268 I HN 0.433 nan 8.210 nan 0.000 0.470 269 S N 6.694 122.360 115.700 -0.056 0.000 2.499 269 S HA 0.289 4.744 4.470 -0.024 0.000 0.275 269 S C 0.257 174.814 174.600 -0.072 0.000 1.257 269 S CA -0.621 57.544 58.200 -0.057 0.000 1.050 269 S CB 0.635 63.788 63.200 -0.078 0.000 0.937 269 S HN 0.363 nan 8.310 nan 0.000 0.490 270 K N 2.900 123.253 120.400 -0.079 0.000 2.248 270 K HA 0.347 4.652 4.320 -0.024 0.000 0.281 270 K C -0.604 175.944 176.600 -0.087 0.000 1.054 270 K CA -0.382 55.834 56.287 -0.118 0.000 0.903 270 K CB 0.601 32.997 32.500 -0.174 0.000 1.077 270 K HN 0.422 nan 8.250 nan 0.000 0.474 271 I N 4.022 124.559 120.570 -0.054 0.000 2.307 271 I HA 0.100 4.255 4.170 -0.024 0.000 0.289 271 I C 0.499 176.587 176.117 -0.049 0.000 1.021 271 I CA 0.107 61.403 61.300 -0.008 0.000 1.224 271 I CB 0.888 38.925 38.000 0.063 0.000 1.376 271 I HN 0.786 nan 8.210 nan 0.000 0.470 272 E N 4.545 124.727 120.200 -0.029 0.000 2.789 272 E HA 0.125 4.460 4.350 -0.024 0.000 0.217 272 E C -0.594 176.046 176.600 0.068 0.000 0.970 272 E CA -0.300 56.086 56.400 -0.024 0.000 1.201 272 E CB 0.598 30.219 29.700 -0.131 0.000 1.069 272 E HN 0.741 nan 8.360 nan 0.000 0.499 273 N N -1.012 117.733 118.700 0.075 0.000 2.934 273 N HA 0.065 4.790 4.740 -0.024 0.000 0.253 273 N C 0.298 175.865 175.510 0.096 0.000 1.466 273 N CA -0.706 52.403 53.050 0.098 0.000 0.858 273 N CB 0.528 39.100 38.487 0.141 0.000 1.459 273 N HN -0.208 nan 8.380 nan 0.000 0.532 274 H N -0.101 118.977 119.070 0.013 0.000 2.353 274 H HA -0.040 4.502 4.556 -0.023 0.000 0.300 274 H C 1.169 176.503 175.328 0.009 0.000 1.090 274 H CA 2.301 58.349 56.048 -0.000 0.000 1.327 274 H CB 0.173 29.933 29.762 -0.005 0.000 1.383 274 H HN 0.849 nan 8.280 nan 0.000 0.508 275 E N -0.493 119.830 120.200 0.205 0.000 2.085 275 E HA -0.124 4.211 4.350 -0.024 0.000 0.194 275 E C 2.403 179.072 176.600 0.114 0.000 0.994 275 E CA 1.103 57.576 56.400 0.122 0.000 0.801 275 E CB -0.396 29.341 29.700 0.061 0.000 0.743 275 E HN 0.568 nan 8.360 nan 0.000 0.453 276 G N 0.186 109.050 108.800 0.107 0.000 2.422 276 G HA2 -0.226 3.719 3.960 -0.024 0.000 0.218 276 G HA3 -0.226 3.719 3.960 -0.024 0.000 0.218 276 G C 1.613 176.599 174.900 0.144 0.000 1.146 276 G CA 0.927 46.089 45.100 0.104 0.000 0.769 276 G HN 0.239 nan 8.290 nan 0.000 0.547 277 V N 0.385 120.358 119.914 0.099 0.000 2.323 277 V HA -0.105 4.000 4.120 -0.024 0.000 0.244 277 V C 2.880 179.035 176.094 0.102 0.000 1.041 277 V CA 1.762 64.090 62.300 0.048 0.000 1.025 277 V CB -0.455 31.311 31.823 -0.096 0.000 0.656 277 V HN 0.286 nan 8.190 nan 0.000 0.451 278 R N 0.193 120.773 120.500 0.133 0.000 2.091 278 R HA -0.090 4.235 4.340 -0.024 0.000 0.238 278 R C 1.882 178.245 176.300 0.105 0.000 1.136 278 R CA 1.357 57.532 56.100 0.126 0.000 0.959 278 R CB -0.216 30.166 30.300 0.137 0.000 0.856 278 R HN 0.460 nan 8.270 nan 0.000 0.437 279 R N -0.198 120.362 120.500 0.101 0.000 2.568 279 R HA 0.053 4.378 4.340 -0.024 0.000 0.288 279 R C 0.979 177.318 176.300 0.065 0.000 1.077 279 R CA -0.277 55.861 56.100 0.064 0.000 1.102 279 R CB -0.008 30.311 30.300 0.031 0.000 1.278 279 R HN 0.155 nan 8.270 nan 0.000 0.560 280 F N 2.183 122.121 119.950 -0.021 0.000 2.095 280 F HA -0.244 4.268 4.527 -0.026 0.000 0.298 280 F C 1.532 177.312 175.800 -0.034 0.000 1.104 280 F CA 1.808 59.788 58.000 -0.034 0.000 1.232 280 F CB 0.151 39.125 39.000 -0.043 0.000 0.987 280 F HN 0.024 nan 8.300 nan 0.000 0.475 281 D N 0.356 120.745 120.400 -0.017 0.000 2.123 281 D HA -0.238 4.387 4.640 -0.024 0.000 0.196 281 D C 2.158 178.354 176.300 -0.173 0.000 0.992 281 D CA 1.883 55.824 54.000 -0.100 0.000 0.833 281 D CB -0.568 40.241 40.800 0.014 0.000 0.954 281 D HN 0.689 nan 8.370 nan 0.000 0.455 282 E N 0.520 120.648 120.200 -0.120 0.000 2.152 282 E HA -0.093 4.242 4.350 -0.024 0.000 0.192 282 E C 2.299 178.793 176.600 -0.177 0.000 0.983 282 E CA 0.524 56.859 56.400 -0.109 0.000 0.818 282 E CB -0.435 29.229 29.700 -0.059 0.000 0.758 282 E HN 0.255 nan 8.360 nan 0.000 0.467 283 I N 0.818 121.247 120.570 -0.235 0.000 2.179 283 I HA -0.233 3.922 4.170 -0.024 0.000 0.242 283 I C 2.529 178.438 176.117 -0.347 0.000 1.088 283 I CA 0.706 61.840 61.300 -0.277 0.000 1.357 283 I CB -0.248 37.604 38.000 -0.247 0.000 1.051 283 I HN 0.163 nan 8.210 nan 0.000 0.409 284 L N 0.943 121.844 121.223 -0.536 0.000 2.042 284 L HA -0.230 4.095 4.340 -0.024 0.000 0.210 284 L C 2.507 179.235 176.870 -0.237 0.000 1.076 284 L CA 1.925 56.481 54.840 -0.473 0.000 0.749 284 L CB -0.871 40.805 42.059 -0.637 0.000 0.893 284 L HN 0.239 nan 8.230 nan 0.000 0.432 285 E N -0.040 120.049 120.200 -0.186 0.000 2.085 285 E HA -0.223 4.113 4.350 -0.024 0.000 0.194 285 E C 1.929 178.493 176.600 -0.059 0.000 0.994 285 E CA 1.460 57.804 56.400 -0.092 0.000 0.801 285 E CB -0.064 29.601 29.700 -0.059 0.000 0.743 285 E HN 0.601 nan 8.360 nan 0.000 0.453 286 A N 0.315 123.082 122.820 -0.088 0.000 2.067 286 A HA 0.064 4.370 4.320 -0.024 0.000 0.217 286 A C 1.397 178.946 177.584 -0.058 0.000 1.156 286 A CA 0.347 52.351 52.037 -0.056 0.000 0.683 286 A CB 0.110 18.969 19.000 -0.236 0.000 0.808 286 A HN 0.146 nan 8.150 nan 0.000 0.455 287 S N 0.000 115.643 115.700 -0.095 0.000 2.687 287 S HA 0.312 4.767 4.470 -0.024 0.000 0.283 287 S C 0.013 174.582 174.600 -0.050 0.000 1.170 287 S CA -0.569 57.584 58.200 -0.079 0.000 1.008 287 S CB 1.142 64.270 63.200 -0.120 0.000 1.026 287 S HN 0.371 nan 8.310 nan 0.000 0.541 288 D N 0.561 120.943 120.400 -0.030 0.000 2.289 288 D HA 0.238 4.863 4.640 -0.024 0.000 0.207 288 D C 0.852 177.118 176.300 -0.056 0.000 0.966 288 D CA 0.600 54.591 54.000 -0.015 0.000 0.868 288 D CB 0.335 41.143 40.800 0.014 0.000 0.943 288 D HN 0.644 nan 8.370 nan 0.000 0.514 289 G N -0.307 108.446 108.800 -0.078 0.000 2.430 289 G HA2 0.444 4.389 3.960 -0.024 0.000 0.300 289 G HA3 0.444 4.389 3.960 -0.024 0.000 0.300 289 G C -1.857 172.979 174.900 -0.107 0.000 1.330 289 G CA -0.596 44.435 45.100 -0.115 0.000 0.813 289 G HN -0.079 nan 8.290 nan 0.000 0.487 290 I N 0.535 121.040 120.570 -0.107 0.000 2.686 290 I HA 0.518 4.673 4.170 -0.024 0.000 0.295 290 I C -0.454 175.580 176.117 -0.138 0.000 1.114 290 I CA -0.677 60.580 61.300 -0.072 0.000 1.038 290 I CB 2.027 40.071 38.000 0.073 0.000 1.238 290 I HN 0.632 nan 8.210 nan 0.000 0.420 291 M N 5.553 125.055 119.600 -0.164 0.000 2.227 291 M HA 0.432 4.898 4.480 -0.024 0.000 0.335 291 M C -1.235 174.988 176.300 -0.128 0.000 1.053 291 M CA -0.736 54.438 55.300 -0.210 0.000 0.973 291 M CB 1.600 34.001 32.600 -0.331 0.000 1.623 291 M HN 0.272 nan 8.290 nan 0.000 0.434 292 V N 5.284 125.127 119.914 -0.120 0.000 2.352 292 V HA 0.213 4.318 4.120 -0.024 0.000 0.253 292 V C 0.588 176.617 176.094 -0.109 0.000 1.083 292 V CA -0.283 61.953 62.300 -0.106 0.000 0.993 292 V CB -0.029 31.730 31.823 -0.107 0.000 1.111 292 V HN 0.868 nan 8.190 nan 0.000 0.490 293 A N 5.941 128.694 122.820 -0.111 0.000 3.015 293 A HA 0.337 4.642 4.320 -0.024 0.000 0.293 293 A C 1.446 178.978 177.584 -0.087 0.000 1.572 293 A CA -0.403 51.566 52.037 -0.114 0.000 1.274 293 A CB -0.329 18.576 19.000 -0.159 0.000 1.156 293 A HN 0.839 nan 8.150 nan 0.000 0.562 294 R N 1.267 121.725 120.500 -0.069 0.000 2.148 294 R HA -0.106 4.219 4.340 -0.024 0.000 0.227 294 R C 2.256 178.533 176.300 -0.038 0.000 1.103 294 R CA 1.154 57.222 56.100 -0.053 0.000 0.983 294 R CB -0.077 30.199 30.300 -0.041 0.000 0.874 294 R HN 0.699 nan 8.270 nan 0.000 0.451 295 G N 1.725 110.507 108.800 -0.030 0.000 2.587 295 G HA2 -0.324 3.621 3.960 -0.024 0.000 0.217 295 G HA3 -0.324 3.621 3.960 -0.024 0.000 0.217 295 G C 0.730 175.627 174.900 -0.006 0.000 1.240 295 G CA 1.446 46.540 45.100 -0.011 0.000 0.794 295 G HN 0.213 nan 8.290 nan 0.000 0.580 296 D N -0.412 119.987 120.400 -0.001 0.000 2.144 296 D HA -0.034 4.591 4.640 -0.024 0.000 0.200 296 D C 2.323 178.628 176.300 0.009 0.000 0.978 296 D CA 0.194 54.215 54.000 0.035 0.000 0.833 296 D CB -0.175 40.689 40.800 0.107 0.000 0.961 296 D HN 0.155 nan 8.370 nan 0.000 0.470 297 L N 0.479 121.689 121.223 -0.021 0.000 2.043 297 L HA -0.043 4.282 4.340 -0.024 0.000 0.212 297 L C 2.091 178.928 176.870 -0.054 0.000 1.075 297 L CA 1.903 56.719 54.840 -0.040 0.000 0.752 297 L CB -0.950 41.070 42.059 -0.065 0.000 0.891 297 L HN 0.116 nan 8.230 nan 0.000 0.432 298 G N -1.552 107.217 108.800 -0.052 0.000 2.848 298 G HA2 -0.052 3.893 3.960 -0.024 0.000 0.208 298 G HA3 -0.052 3.893 3.960 -0.024 0.000 0.208 298 G C 1.401 176.249 174.900 -0.087 0.000 1.152 298 G CA 0.705 45.769 45.100 -0.060 0.000 0.789 298 G HN 0.504 nan 8.290 nan 0.000 0.531 299 I N -0.671 119.844 120.570 -0.093 0.000 3.039 299 I HA 0.109 4.264 4.170 -0.024 0.000 0.270 299 I C 2.258 178.278 176.117 -0.162 0.000 1.150 299 I CA 0.197 61.394 61.300 -0.172 0.000 1.448 299 I CB 0.113 38.034 38.000 -0.132 0.000 1.197 299 I HN -0.060 nan 8.210 nan 0.000 0.450 300 E N 1.716 121.877 120.200 -0.065 0.000 2.107 300 E HA 0.012 4.347 4.350 -0.024 0.000 0.191 300 E C 0.828 177.420 176.600 -0.014 0.000 0.982 300 E CA 0.850 57.241 56.400 -0.016 0.000 0.809 300 E CB 0.118 29.839 29.700 0.035 0.000 0.756 300 E HN 0.538 nan 8.360 nan 0.000 0.459 301 I N -2.158 118.381 120.570 -0.052 0.000 2.797 301 I HA 0.470 4.625 4.170 -0.024 0.000 0.307 301 I C -2.663 173.409 176.117 -0.075 0.000 1.033 301 I CA -2.993 58.267 61.300 -0.067 0.000 1.071 301 I CB 2.117 40.025 38.000 -0.154 0.000 1.255 301 I HN -0.355 nan 8.210 nan 0.000 0.445 302 P HA 0.031 nan 4.420 nan 0.000 0.262 302 P C 0.404 177.679 177.300 -0.042 0.000 1.182 302 P CA 0.219 63.292 63.100 -0.045 0.000 0.761 302 P CB 0.986 32.673 31.700 -0.022 0.000 0.795 303 A N 4.797 127.596 122.820 -0.034 0.000 2.024 303 A HA -0.209 4.096 4.320 -0.024 0.000 0.220 303 A C 1.789 179.390 177.584 0.029 0.000 1.164 303 A CA 1.517 53.545 52.037 -0.016 0.000 0.643 303 A CB -0.842 18.149 19.000 -0.016 0.000 0.806 303 A HN 0.666 nan 8.150 nan 0.000 0.451 304 E N 0.467 120.693 120.200 0.043 0.000 2.418 304 E HA -0.154 4.181 4.350 -0.024 0.000 0.197 304 E C 1.158 177.859 176.600 0.168 0.000 1.026 304 E CA 1.220 57.689 56.400 0.114 0.000 0.862 304 E CB -0.249 29.505 29.700 0.088 0.000 0.799 304 E HN 0.661 nan 8.360 nan 0.000 0.518 305 K N 0.583 120.993 120.400 0.017 0.000 2.367 305 K HA 0.140 4.445 4.320 -0.024 0.000 0.194 305 K C 1.937 178.404 176.600 -0.222 0.000 1.027 305 K CA 0.190 56.393 56.287 -0.140 0.000 1.075 305 K CB 0.590 32.996 32.500 -0.155 0.000 0.845 305 K HN -0.083 nan 8.250 nan 0.000 0.529 306 V N 1.914 121.781 119.914 -0.078 0.000 2.392 306 V HA -0.282 3.824 4.120 -0.024 0.000 0.249 306 V C 2.055 178.089 176.094 -0.100 0.000 1.059 306 V CA 1.976 64.225 62.300 -0.086 0.000 1.051 306 V CB -0.678 31.132 31.823 -0.022 0.000 0.658 306 V HN 0.375 nan 8.190 nan 0.000 0.455 307 F N -0.068 119.836 119.950 -0.077 0.000 2.269 307 F HA -0.095 4.415 4.527 -0.028 0.000 0.301 307 F C 1.897 177.645 175.800 -0.087 0.000 1.082 307 F CA 1.392 59.347 58.000 -0.074 0.000 1.360 307 F CB -0.906 38.059 39.000 -0.057 0.000 1.041 307 F HN 0.080 nan 8.300 nan 0.000 0.512 308 L N 0.973 121.537 121.223 -1.099 0.000 2.027 308 L HA -0.080 4.245 4.340 -0.024 0.000 0.206 308 L C 3.058 179.678 176.870 -0.418 0.000 1.074 308 L CA 1.179 55.544 54.840 -0.790 0.000 0.745 308 L CB -1.261 40.338 42.059 -0.767 0.000 0.898 308 L HN 0.316 nan 8.230 nan 0.000 0.433 309 A N -0.376 122.224 122.820 -0.366 0.000 1.908 309 A HA -0.302 4.003 4.320 -0.024 0.000 0.218 309 A C 2.284 179.700 177.584 -0.279 0.000 1.181 309 A CA 2.042 53.897 52.037 -0.303 0.000 0.627 309 A CB -0.670 18.173 19.000 -0.263 0.000 0.818 309 A HN 0.516 nan 8.150 nan 0.000 0.445 310 Q N -0.213 119.462 119.800 -0.208 0.000 2.030 310 Q HA -0.238 4.088 4.340 -0.024 0.000 0.204 310 Q C 2.005 177.914 176.000 -0.151 0.000 0.986 310 Q CA 2.134 57.845 55.803 -0.153 0.000 0.843 310 Q CB -0.168 28.525 28.738 -0.074 0.000 0.904 310 Q HN 0.673 nan 8.270 nan 0.000 0.420 311 K N -0.052 120.272 120.400 -0.128 0.000 2.097 311 K HA -0.125 4.181 4.320 -0.024 0.000 0.205 311 K C 2.201 178.712 176.600 -0.148 0.000 1.050 311 K CA 1.281 57.506 56.287 -0.102 0.000 0.938 311 K CB -0.222 32.248 32.500 -0.049 0.000 0.718 311 K HN 0.329 nan 8.250 nan 0.000 0.442 312 M N 0.831 120.305 119.600 -0.209 0.000 2.080 312 M HA -0.193 4.273 4.480 -0.024 0.000 0.260 312 M C 1.938 178.047 176.300 -0.318 0.000 1.068 312 M CA 1.869 57.024 55.300 -0.241 0.000 1.109 312 M CB -0.249 32.183 32.600 -0.280 0.000 1.342 312 M HN 0.213 nan 8.290 nan 0.000 0.405 313 M N -0.426 118.904 119.600 -0.450 0.000 2.175 313 M HA -0.169 4.296 4.480 -0.024 0.000 0.264 313 M C 2.126 178.306 176.300 -0.201 0.000 1.063 313 M CA 1.321 56.263 55.300 -0.597 0.000 1.119 313 M CB -0.418 31.776 32.600 -0.676 0.000 1.377 313 M HN 0.264 nan 8.290 nan 0.000 0.415 314 I N -0.095 120.389 120.570 -0.144 0.000 2.179 314 I HA -0.194 3.961 4.170 -0.024 0.000 0.242 314 I C 2.617 178.707 176.117 -0.045 0.000 1.088 314 I CA 1.418 62.675 61.300 -0.072 0.000 1.357 314 I CB -1.013 36.948 38.000 -0.066 0.000 1.051 314 I HN 0.355 nan 8.210 nan 0.000 0.409 315 G N 0.869 109.632 108.800 -0.063 0.000 2.491 315 G HA2 -0.251 3.694 3.960 -0.024 0.000 0.218 315 G HA3 -0.251 3.694 3.960 -0.024 0.000 0.218 315 G C 1.817 176.713 174.900 -0.006 0.000 1.180 315 G CA 0.598 45.675 45.100 -0.039 0.000 0.774 315 G HN 0.303 nan 8.290 nan 0.000 0.562 316 R N -0.720 119.786 120.500 0.011 0.000 2.115 316 R HA -0.004 4.321 4.340 -0.024 0.000 0.226 316 R C 2.667 179.039 176.300 0.120 0.000 1.100 316 R CA 1.058 57.215 56.100 0.095 0.000 0.980 316 R CB -0.559 29.865 30.300 0.207 0.000 0.875 316 R HN 0.396 nan 8.270 nan 0.000 0.445 317 C N 0.633 120.005 119.300 0.120 0.000 2.440 317 C HA -0.027 4.418 4.460 -0.024 0.000 0.278 317 C C 2.157 177.161 174.990 0.022 0.000 1.295 317 C CA 0.615 59.678 59.018 0.075 0.000 1.738 317 C CB -1.171 26.606 27.740 0.062 0.000 1.987 317 C HN 0.568 nan 8.230 nan 0.000 0.492 318 N N 0.293 119.000 118.700 0.011 0.000 2.104 318 N HA -0.131 4.595 4.740 -0.024 0.000 0.190 318 N C 1.980 177.487 175.510 -0.005 0.000 1.024 318 N CA 0.874 53.925 53.050 0.001 0.000 0.853 318 N CB -0.150 38.338 38.487 0.002 0.000 1.008 318 N HN 0.517 nan 8.380 nan 0.000 0.424 319 R N 0.723 121.226 120.500 0.005 0.000 2.115 319 R HA 0.001 4.326 4.340 -0.024 0.000 0.230 319 R C 1.860 178.158 176.300 -0.003 0.000 1.111 319 R CA 0.933 57.034 56.100 0.002 0.000 0.976 319 R CB -0.225 30.083 30.300 0.014 0.000 0.870 319 R HN 0.223 nan 8.270 nan 0.000 0.445 320 A N -0.140 122.684 122.820 0.007 0.000 2.178 320 A HA 0.210 4.516 4.320 -0.024 0.000 0.211 320 A C 1.346 178.932 177.584 0.003 0.000 1.157 320 A CA 0.787 52.826 52.037 0.004 0.000 0.780 320 A CB 0.021 19.024 19.000 0.005 0.000 0.828 320 A HN 0.415 nan 8.150 nan 0.000 0.476 321 G N -0.387 108.411 108.800 -0.002 0.000 2.198 321 G HA2 -0.268 3.677 3.960 -0.024 0.000 0.260 321 G HA3 -0.268 3.677 3.960 -0.024 0.000 0.260 321 G C 0.056 175.001 174.900 0.076 0.000 1.025 321 G CA 0.753 45.867 45.100 0.023 0.000 0.769 321 G HN 0.578 nan 8.290 nan 0.000 0.507 322 K N 0.378 120.787 120.400 0.016 0.000 2.207 322 K HA 0.480 4.785 4.320 -0.024 0.000 0.255 322 K C -2.562 173.953 176.600 -0.142 0.000 0.941 322 K CA -2.229 54.036 56.287 -0.036 0.000 0.825 322 K CB 1.985 34.460 32.500 -0.041 0.000 1.119 322 K HN -0.071 nan 8.250 nan 0.000 0.430 323 P HA -0.029 nan 4.420 nan 0.000 0.265 323 P C -1.030 176.136 177.300 -0.222 0.000 1.193 323 P CA -0.223 62.632 63.100 -0.408 0.000 0.765 323 P CB 0.659 31.979 31.700 -0.634 0.000 0.823 324 V N 5.387 125.197 119.914 -0.173 0.000 2.656 324 V HA 0.509 4.615 4.120 -0.024 0.000 0.307 324 V C -0.786 175.223 176.094 -0.141 0.000 1.051 324 V CA -0.889 61.336 62.300 -0.126 0.000 0.893 324 V CB 1.394 33.177 31.823 -0.066 0.000 0.999 324 V HN 0.293 nan 8.190 nan 0.000 0.426 325 I N 6.247 126.718 120.570 -0.165 0.000 2.378 325 I HA 0.419 4.575 4.170 -0.024 0.000 0.291 325 I C -0.161 175.872 176.117 -0.140 0.000 0.992 325 I CA -0.370 60.825 61.300 -0.174 0.000 1.154 325 I CB 1.584 39.413 38.000 -0.284 0.000 1.315 325 I HN 0.615 nan 8.210 nan 0.000 0.448 326 C N 6.565 125.803 119.300 -0.103 0.000 2.347 326 C HA 0.838 5.283 4.460 -0.024 0.000 0.353 326 C C 0.468 175.412 174.990 -0.077 0.000 1.273 326 C CA -0.133 58.836 59.018 -0.082 0.000 1.861 326 C CB -0.618 27.088 27.740 -0.055 0.000 2.420 326 C HN 0.859 nan 8.230 nan 0.000 0.542 327 A N 4.679 127.453 122.820 -0.076 0.000 2.401 327 A HA 0.908 5.213 4.320 -0.024 0.000 0.310 327 A C -0.167 177.394 177.584 -0.039 0.000 1.075 327 A CA -0.155 51.844 52.037 -0.062 0.000 0.746 327 A CB 1.061 20.008 19.000 -0.088 0.000 1.277 327 A HN 1.335 nan 8.150 nan 0.000 0.425 328 T N 1.387 115.931 114.554 -0.018 0.000 0.580 328 T HA -0.083 4.252 4.350 -0.024 0.000 0.770 328 T C 0.039 174.739 174.700 0.001 0.000 0.991 328 T CA 0.604 62.701 62.100 -0.005 0.000 4.056 328 T CB -1.241 67.620 68.868 -0.012 0.000 2.292 328 T HN 1.503 nan 8.240 nan 0.000 0.396 329 Q N 0.256 120.063 119.800 0.011 0.000 2.481 329 Q HA -0.267 4.058 4.340 -0.024 0.000 0.258 329 Q C 1.533 177.539 176.000 0.010 0.000 0.961 329 Q CA 1.453 57.264 55.803 0.013 0.000 1.121 329 Q CB -1.116 27.629 28.738 0.011 0.000 1.503 329 Q HN 0.832 nan 8.270 nan 0.000 0.544 330 M N -0.547 119.058 119.600 0.008 0.000 2.159 330 M HA -0.115 4.350 4.480 -0.024 0.000 0.263 330 M C 1.129 177.435 176.300 0.009 0.000 1.063 330 M CA 1.532 56.835 55.300 0.005 0.000 1.110 330 M CB 0.137 32.738 32.600 0.003 0.000 1.374 330 M HN 0.262 nan 8.290 nan 0.000 0.411 331 L N -0.765 120.467 121.223 0.016 0.000 3.193 331 L HA 0.179 4.504 4.340 -0.024 0.000 0.305 331 L C 1.118 178.003 176.870 0.025 0.000 1.299 331 L CA -0.380 54.470 54.840 0.018 0.000 0.904 331 L CB 0.263 42.335 42.059 0.022 0.000 1.331 331 L HN 0.042 nan 8.230 nan 0.000 0.588 332 E N 1.411 121.624 120.200 0.023 0.000 2.097 332 E HA -0.249 4.086 4.350 -0.024 0.000 0.196 332 E C 2.186 178.806 176.600 0.033 0.000 1.000 332 E CA 2.125 58.542 56.400 0.028 0.000 0.804 332 E CB 0.172 29.886 29.700 0.024 0.000 0.740 332 E HN 0.513 nan 8.360 nan 0.000 0.454 333 S N -0.436 115.279 115.700 0.025 0.000 2.440 333 S HA -0.186 4.270 4.470 -0.024 0.000 0.238 333 S C 1.865 176.488 174.600 0.039 0.000 1.010 333 S CA 1.314 59.530 58.200 0.026 0.000 0.972 333 S CB -0.401 62.806 63.200 0.012 0.000 0.774 333 S HN 0.325 nan 8.310 nan 0.000 0.501 334 M N 0.548 120.174 119.600 0.043 0.000 2.686 334 M HA 0.194 4.659 4.480 -0.024 0.000 0.246 334 M C 1.552 177.940 176.300 0.148 0.000 1.096 334 M CA 0.551 55.894 55.300 0.071 0.000 1.076 334 M CB -0.579 32.052 32.600 0.052 0.000 1.504 334 M HN 0.345 nan 8.290 nan 0.000 0.524 335 I N -0.061 120.574 120.570 0.108 0.000 2.264 335 I HA -0.308 3.847 4.170 -0.024 0.000 0.248 335 I C 2.170 178.372 176.117 0.142 0.000 1.111 335 I CA 1.387 62.749 61.300 0.104 0.000 1.382 335 I CB -0.208 37.830 38.000 0.063 0.000 1.060 335 I HN 0.153 nan 8.210 nan 0.000 0.418 336 K N -0.908 119.583 120.400 0.153 0.000 2.391 336 K HA 0.181 4.486 4.320 -0.024 0.000 0.197 336 K C 0.316 177.075 176.600 0.265 0.000 1.087 336 K CA 0.095 56.487 56.287 0.175 0.000 1.012 336 K CB 0.798 33.356 32.500 0.097 0.000 0.925 336 K HN 0.091 nan 8.250 nan 0.000 0.547 337 K N 0.645 121.142 120.400 0.161 0.000 2.318 337 K HA 0.391 4.696 4.320 -0.024 0.000 0.249 337 K C -2.619 173.736 176.600 -0.409 0.000 0.942 337 K CA -1.853 54.403 56.287 -0.051 0.000 0.808 337 K CB 1.576 34.050 32.500 -0.044 0.000 1.189 337 K HN -0.071 nan 8.250 nan 0.000 0.428 338 P HA 0.050 nan 4.420 nan 0.000 0.233 338 P C -0.373 176.703 177.300 -0.374 0.000 1.167 338 P CA 0.673 63.206 63.100 -0.944 0.000 0.770 338 P CB 0.364 31.620 31.700 -0.739 0.000 0.837 339 R N -0.324 120.038 120.500 -0.229 0.000 2.725 339 R HA 0.491 4.816 4.340 -0.024 0.000 0.277 339 R C -2.718 173.537 176.300 -0.076 0.000 0.987 339 R CA -2.034 53.994 56.100 -0.119 0.000 0.901 339 R CB 1.803 32.047 30.300 -0.094 0.000 1.207 339 R HN -0.066 nan 8.270 nan 0.000 0.463 340 P HA 0.138 nan 4.420 nan 0.000 0.284 340 P C -0.507 176.779 177.300 -0.022 0.000 1.287 340 P CA -0.495 62.590 63.100 -0.025 0.000 0.824 340 P CB 0.882 32.574 31.700 -0.014 0.000 1.180 341 T N -1.460 113.086 114.554 -0.014 0.000 2.788 341 T HA 0.216 4.551 4.350 -0.024 0.000 0.287 341 T C 1.441 176.133 174.700 -0.014 0.000 1.007 341 T CA -0.585 61.507 62.100 -0.013 0.000 1.005 341 T CB 0.449 69.312 68.868 -0.009 0.000 1.012 341 T HN 0.184 nan 8.240 nan 0.000 0.530 342 R N 0.782 121.274 120.500 -0.014 0.000 2.115 342 R HA 0.053 4.378 4.340 -0.024 0.000 0.230 342 R C 2.643 178.934 176.300 -0.015 0.000 1.111 342 R CA 1.323 57.414 56.100 -0.015 0.000 0.976 342 R CB -1.629 28.661 30.300 -0.016 0.000 0.870 342 R HN 0.850 nan 8.270 nan 0.000 0.445 343 A N 1.369 124.180 122.820 -0.015 0.000 1.933 343 A HA -0.167 4.139 4.320 -0.024 0.000 0.218 343 A C 2.016 179.592 177.584 -0.013 0.000 1.175 343 A CA 1.342 53.369 52.037 -0.017 0.000 0.628 343 A CB -0.264 18.726 19.000 -0.016 0.000 0.814 343 A HN 0.338 nan 8.150 nan 0.000 0.444 344 E N -0.605 119.590 120.200 -0.009 0.000 2.072 344 E HA -0.074 4.261 4.350 -0.024 0.000 0.191 344 E C 2.167 178.764 176.600 -0.005 0.000 0.985 344 E CA 0.787 57.184 56.400 -0.005 0.000 0.801 344 E CB -0.387 29.311 29.700 -0.002 0.000 0.750 344 E HN 0.590 nan 8.360 nan 0.000 0.452 345 G N 0.613 109.409 108.800 -0.008 0.000 2.446 345 G HA2 -0.342 3.603 3.960 -0.024 0.000 0.217 345 G HA3 -0.342 3.603 3.960 -0.024 0.000 0.217 345 G C 1.646 176.541 174.900 -0.007 0.000 1.168 345 G CA 1.027 46.122 45.100 -0.007 0.000 0.771 345 G HN 0.291 nan 8.290 nan 0.000 0.551 346 S N 0.440 116.134 115.700 -0.010 0.000 2.365 346 S HA -0.222 4.233 4.470 -0.024 0.000 0.225 346 S C 2.111 176.706 174.600 -0.008 0.000 1.039 346 S CA 2.202 60.396 58.200 -0.011 0.000 1.033 346 S CB -0.530 62.660 63.200 -0.018 0.000 0.887 346 S HN 0.432 nan 8.310 nan 0.000 0.447 347 D N 0.049 120.443 120.400 -0.009 0.000 2.104 347 D HA -0.090 4.536 4.640 -0.024 0.000 0.194 347 D C 1.912 178.210 176.300 -0.003 0.000 0.994 347 D CA 1.494 55.491 54.000 -0.006 0.000 0.830 347 D CB -0.343 40.454 40.800 -0.006 0.000 0.959 347 D HN 0.311 nan 8.370 nan 0.000 0.452 348 V N 0.723 120.635 119.914 -0.003 0.000 2.295 348 V HA -0.216 3.889 4.120 -0.024 0.000 0.246 348 V C 2.594 178.688 176.094 0.000 0.000 1.049 348 V CA 1.851 64.150 62.300 -0.002 0.000 1.024 348 V CB -1.017 30.806 31.823 0.000 0.000 0.648 348 V HN 0.342 nan 8.190 nan 0.000 0.447 349 A N 0.216 123.037 122.820 0.002 0.000 1.908 349 A HA -0.244 4.061 4.320 -0.024 0.000 0.218 349 A C 2.087 179.679 177.584 0.014 0.000 1.181 349 A CA 2.090 54.131 52.037 0.007 0.000 0.627 349 A CB -0.672 18.332 19.000 0.007 0.000 0.818 349 A HN 0.591 nan 8.150 nan 0.000 0.445 350 N N 0.105 118.812 118.700 0.012 0.000 2.270 350 N HA -0.053 4.672 4.740 -0.024 0.000 0.181 350 N C 1.878 177.395 175.510 0.012 0.000 1.016 350 N CA 1.242 54.302 53.050 0.017 0.000 0.870 350 N CB -0.383 38.111 38.487 0.010 0.000 0.979 350 N HN 0.476 nan 8.380 nan 0.000 0.431 351 A N 0.725 123.548 122.820 0.004 0.000 1.933 351 A HA -0.072 4.233 4.320 -0.024 0.000 0.218 351 A C 2.491 180.073 177.584 -0.003 0.000 1.175 351 A CA 1.145 53.179 52.037 -0.004 0.000 0.628 351 A CB -0.620 18.372 19.000 -0.012 0.000 0.814 351 A HN 0.091 nan 8.150 nan 0.000 0.444 352 V N 0.093 120.009 119.914 0.004 0.000 2.307 352 V HA -0.235 3.870 4.120 -0.024 0.000 0.245 352 V C 2.539 178.644 176.094 0.019 0.000 1.045 352 V CA 1.891 64.197 62.300 0.010 0.000 1.024 352 V CB -0.806 31.026 31.823 0.014 0.000 0.651 352 V HN 0.569 nan 8.190 nan 0.000 0.449 353 L N -0.104 121.136 121.223 0.029 0.000 2.131 353 L HA -0.197 4.129 4.340 -0.024 0.000 0.210 353 L C 2.312 179.196 176.870 0.024 0.000 1.092 353 L CA 1.402 56.268 54.840 0.042 0.000 0.759 353 L CB -0.754 41.348 42.059 0.071 0.000 0.903 353 L HN 0.344 nan 8.230 nan 0.000 0.435 354 D N 0.031 120.438 120.400 0.012 0.000 2.178 354 D HA -0.091 4.535 4.640 -0.024 0.000 0.201 354 D C 1.685 177.979 176.300 -0.009 0.000 0.980 354 D CA 1.587 55.586 54.000 -0.003 0.000 0.842 354 D CB 0.061 40.856 40.800 -0.009 0.000 0.948 354 D HN 0.442 nan 8.370 nan 0.000 0.472 355 G N -0.803 107.995 108.800 -0.004 0.000 2.173 355 G HA2 -0.032 3.914 3.960 -0.024 0.000 0.142 355 G HA3 -0.032 3.914 3.960 -0.024 0.000 0.142 355 G C 0.308 175.201 174.900 -0.012 0.000 1.019 355 G CA 0.073 45.172 45.100 -0.002 0.000 0.699 355 G HN 0.530 nan 8.290 nan 0.000 0.495 356 A N 0.481 123.289 122.820 -0.021 0.000 2.520 356 A HA 0.499 4.804 4.320 -0.024 0.000 0.245 356 A C 1.236 178.798 177.584 -0.038 0.000 1.072 356 A CA 0.879 52.893 52.037 -0.039 0.000 0.761 356 A CB 0.254 19.227 19.000 -0.044 0.000 1.004 356 A HN 0.259 nan 8.150 nan 0.000 0.499 357 D N 0.738 121.100 120.400 -0.062 0.000 2.144 357 D HA -0.036 4.589 4.640 -0.024 0.000 0.200 357 D C 0.194 176.456 176.300 -0.063 0.000 0.978 357 D CA 1.335 55.295 54.000 -0.067 0.000 0.833 357 D CB 0.117 40.835 40.800 -0.136 0.000 0.961 357 D HN 0.562 nan 8.370 nan 0.000 0.470 358 C N 0.336 119.590 119.300 -0.077 0.000 2.889 358 C HA 0.643 5.088 4.460 -0.024 0.000 0.307 358 C C -0.082 174.872 174.990 -0.059 0.000 1.251 358 C CA -1.035 57.944 59.018 -0.064 0.000 1.593 358 C CB 1.980 29.676 27.740 -0.073 0.000 2.104 358 C HN 0.174 nan 8.230 nan 0.000 0.476 359 I N -0.043 120.503 120.570 -0.040 0.000 2.892 359 I HA 0.829 4.985 4.170 -0.024 0.000 0.306 359 I C -0.878 175.227 176.117 -0.020 0.000 1.078 359 I CA -0.852 60.428 61.300 -0.032 0.000 1.032 359 I CB 1.839 39.828 38.000 -0.017 0.000 1.229 359 I HN 0.699 nan 8.210 nan 0.000 0.435 360 M N 4.030 123.621 119.600 -0.015 0.000 2.572 360 M HA 0.643 5.108 4.480 -0.024 0.000 0.299 360 M C -2.126 174.185 176.300 0.019 0.000 1.205 360 M CA -0.668 54.635 55.300 0.005 0.000 0.876 360 M CB 2.776 35.372 32.600 -0.007 0.000 1.728 360 M HN 0.636 nan 8.290 nan 0.000 0.458 361 L N 1.727 122.972 121.223 0.037 0.000 2.365 361 L HA 0.576 4.902 4.340 -0.024 0.000 0.273 361 L C -0.348 176.557 176.870 0.057 0.000 1.000 361 L CA -0.294 54.572 54.840 0.043 0.000 0.819 361 L CB 2.258 44.343 42.059 0.044 0.000 1.284 361 L HN 0.804 nan 8.230 nan 0.000 0.418 362 S N 0.816 116.549 115.700 0.056 0.000 3.290 362 S HA 0.185 4.640 4.470 -0.024 0.000 0.176 362 S C 1.534 176.172 174.600 0.063 0.000 0.815 362 S CA 0.383 58.624 58.200 0.068 0.000 1.075 362 S CB -0.183 63.057 63.200 0.065 0.000 0.879 362 S HN 0.861 nan 8.310 nan 0.000 0.795 363 G N 1.262 110.095 108.800 0.055 0.000 2.450 363 G HA2 -0.202 3.743 3.960 -0.024 0.000 0.220 363 G HA3 -0.202 3.743 3.960 -0.024 0.000 0.220 363 G C 0.994 175.922 174.900 0.046 0.000 1.130 363 G CA 1.196 46.323 45.100 0.045 0.000 0.760 363 G HN 0.537 nan 8.290 nan 0.000 0.557 364 E N 0.066 120.297 120.200 0.051 0.000 2.160 364 E HA -0.106 4.229 4.350 -0.024 0.000 0.195 364 E C 2.742 179.378 176.600 0.060 0.000 0.991 364 E CA 1.814 58.250 56.400 0.060 0.000 0.810 364 E CB -0.215 29.520 29.700 0.058 0.000 0.742 364 E HN 0.625 nan 8.360 nan 0.000 0.466 365 T N -3.110 111.477 114.554 0.055 0.000 3.000 365 T HA 0.377 4.712 4.350 -0.024 0.000 0.248 365 T C 1.917 176.647 174.700 0.050 0.000 1.034 365 T CA 0.242 62.373 62.100 0.052 0.000 1.060 365 T CB 0.223 69.122 68.868 0.053 0.000 0.983 365 T HN 0.133 nan 8.240 nan 0.000 0.482 366 A N 3.017 125.870 122.820 0.054 0.000 1.898 366 A HA 0.161 4.467 4.320 -0.024 0.000 0.214 366 A C 2.182 179.789 177.584 0.038 0.000 1.183 366 A CA 1.398 53.471 52.037 0.058 0.000 0.622 366 A CB -0.244 18.797 19.000 0.067 0.000 0.824 366 A HN 0.710 nan 8.150 nan 0.000 0.444 367 K N -2.120 118.294 120.400 0.023 0.000 2.562 367 K HA 0.288 4.593 4.320 -0.024 0.000 0.218 367 K C 0.890 177.487 176.600 -0.004 0.000 1.374 367 K CA 0.357 56.647 56.287 0.004 0.000 0.996 367 K CB -0.038 32.456 32.500 -0.011 0.000 1.127 367 K HN 0.232 nan 8.250 nan 0.000 0.603 368 G N 0.935 109.740 108.800 0.009 0.000 2.616 368 G HA2 0.058 4.003 3.960 -0.024 0.000 0.268 368 G HA3 0.058 4.003 3.960 -0.024 0.000 0.268 368 G C -0.273 174.598 174.900 -0.050 0.000 1.213 368 G CA -0.292 44.812 45.100 0.007 0.000 0.926 368 G HN 0.092 nan 8.290 nan 0.000 0.523 369 D N -1.219 119.117 120.400 -0.106 0.000 2.347 369 D HA 0.030 4.655 4.640 -0.024 0.000 0.213 369 D C -0.153 175.743 176.300 -0.674 0.000 0.985 369 D CA 1.018 54.779 54.000 -0.398 0.000 0.879 369 D CB 0.225 40.702 40.800 -0.539 0.000 0.919 369 D HN 0.369 nan 8.370 nan 0.000 0.526 370 Y N -0.492 119.817 120.300 0.015 0.000 2.501 370 Y HA 0.210 4.745 4.550 -0.025 0.000 0.331 370 Y C -1.699 174.212 175.900 0.017 0.000 0.950 370 Y CA -1.653 56.456 58.100 0.015 0.000 1.120 370 Y CB 1.185 39.654 38.460 0.015 0.000 1.154 370 Y HN -0.105 nan 8.280 nan 0.000 0.630 371 P HA -0.177 nan 4.420 nan 0.000 0.215 371 P C 1.378 178.724 177.300 0.076 0.000 1.153 371 P CA 1.505 64.648 63.100 0.073 0.000 0.853 371 P CB 0.672 32.396 31.700 0.041 0.000 0.788 372 L N -0.677 120.592 121.223 0.077 0.000 2.109 372 L HA -0.116 4.210 4.340 -0.024 0.000 0.207 372 L C 2.597 179.509 176.870 0.070 0.000 1.086 372 L CA 1.471 56.348 54.840 0.062 0.000 0.760 372 L CB -1.009 41.083 42.059 0.056 0.000 0.910 372 L HN -0.083 nan 8.230 nan 0.000 0.437 373 E N 0.538 120.800 120.200 0.103 0.000 2.110 373 E HA -0.179 4.156 4.350 -0.024 0.000 0.193 373 E C 2.263 178.903 176.600 0.065 0.000 0.988 373 E CA 1.340 57.789 56.400 0.082 0.000 0.804 373 E CB -0.291 29.461 29.700 0.087 0.000 0.745 373 E HN 0.441 nan 8.360 nan 0.000 0.458 374 A N 0.452 123.320 122.820 0.080 0.000 1.873 374 A HA -0.146 4.159 4.320 -0.024 0.000 0.215 374 A C 2.463 180.080 177.584 0.054 0.000 1.186 374 A CA 1.392 53.467 52.037 0.063 0.000 0.616 374 A CB -0.744 18.299 19.000 0.070 0.000 0.823 374 A HN 0.144 nan 8.150 nan 0.000 0.442 375 V N 0.128 120.074 119.914 0.052 0.000 2.287 375 V HA -0.309 3.797 4.120 -0.024 0.000 0.248 375 V C 2.617 178.749 176.094 0.064 0.000 1.053 375 V CA 2.373 64.700 62.300 0.045 0.000 1.027 375 V CB -0.916 30.922 31.823 0.025 0.000 0.646 375 V HN 0.530 nan 8.190 nan 0.000 0.447 376 R N -0.799 119.736 120.500 0.059 0.000 2.096 376 R HA -0.188 4.138 4.340 -0.024 0.000 0.235 376 R C 2.235 178.601 176.300 0.111 0.000 1.127 376 R CA 1.910 58.059 56.100 0.081 0.000 0.968 376 R CB -0.422 29.911 30.300 0.055 0.000 0.861 376 R HN 0.432 nan 8.270 nan 0.000 0.440 377 M N 0.841 120.484 119.600 0.071 0.000 2.156 377 M HA -0.115 4.350 4.480 -0.024 0.000 0.264 377 M C 1.889 178.220 176.300 0.051 0.000 1.067 377 M CA 1.702 57.033 55.300 0.052 0.000 1.131 377 M CB -0.045 32.572 32.600 0.028 0.000 1.368 377 M HN 0.011 nan 8.290 nan 0.000 0.416 378 Q N -1.232 118.603 119.800 0.058 0.000 2.096 378 Q HA -0.272 4.054 4.340 -0.024 0.000 0.204 378 Q C 2.129 178.168 176.000 0.064 0.000 0.982 378 Q CA 2.114 57.946 55.803 0.049 0.000 0.850 378 Q CB -0.560 28.204 28.738 0.045 0.000 0.901 378 Q HN 0.753 nan 8.270 nan 0.000 0.422 379 H N 0.581 119.657 119.070 0.010 0.000 2.321 379 H HA -0.094 4.487 4.556 0.042 0.000 0.300 379 H C 1.888 177.230 175.328 0.023 0.000 1.087 379 H CA 1.627 57.684 56.048 0.016 0.000 1.319 379 H CB -0.189 29.583 29.762 0.018 0.000 1.379 379 H HN 0.109 nan 8.280 nan 0.000 0.501 380 L N -0.303 120.899 121.223 -0.035 0.000 2.056 380 L HA -0.131 4.195 4.340 -0.024 0.000 0.207 380 L C 2.518 179.336 176.870 -0.085 0.000 1.078 380 L CA 1.295 56.083 54.840 -0.087 0.000 0.749 380 L CB -0.329 41.739 42.059 0.015 0.000 0.901 380 L HN 0.359 nan 8.230 nan 0.000 0.433 381 I N -0.194 120.351 120.570 -0.042 0.000 2.202 381 I HA -0.245 3.910 4.170 -0.024 0.000 0.242 381 I C 2.841 178.935 176.117 -0.038 0.000 1.091 381 I CA 1.098 62.381 61.300 -0.029 0.000 1.368 381 I CB -0.556 37.438 38.000 -0.010 0.000 1.058 381 I HN 0.167 nan 8.210 nan 0.000 0.410 382 A N 0.860 123.651 122.820 -0.048 0.000 1.908 382 A HA -0.270 4.035 4.320 -0.024 0.000 0.218 382 A C 2.451 180.006 177.584 -0.048 0.000 1.181 382 A CA 2.026 54.041 52.037 -0.038 0.000 0.627 382 A CB -0.700 18.280 19.000 -0.033 0.000 0.818 382 A HN 0.355 nan 8.150 nan 0.000 0.445 383 R N -0.589 119.844 120.500 -0.112 0.000 2.075 383 R HA -0.113 4.212 4.340 -0.024 0.000 0.232 383 R C 2.042 178.320 176.300 -0.036 0.000 1.126 383 R CA 1.421 57.463 56.100 -0.096 0.000 0.963 383 R CB -0.170 30.006 30.300 -0.206 0.000 0.858 383 R HN 0.525 nan 8.270 nan 0.000 0.435 384 E N 0.232 120.409 120.200 -0.038 0.000 2.077 384 E HA -0.182 4.153 4.350 -0.024 0.000 0.193 384 E C 1.877 178.487 176.600 0.017 0.000 0.989 384 E CA 1.353 57.749 56.400 -0.007 0.000 0.800 384 E CB -0.206 29.486 29.700 -0.013 0.000 0.746 384 E HN 0.453 nan 8.360 nan 0.000 0.452 385 A N 1.347 124.175 122.820 0.015 0.000 1.930 385 A HA -0.194 4.112 4.320 -0.024 0.000 0.217 385 A C 2.015 179.635 177.584 0.061 0.000 1.175 385 A CA 1.426 53.484 52.037 0.035 0.000 0.627 385 A CB -0.421 18.593 19.000 0.024 0.000 0.815 385 A HN 0.187 nan 8.150 nan 0.000 0.443 386 E N -0.154 120.083 120.200 0.061 0.000 2.118 386 E HA -0.121 4.214 4.350 -0.024 0.000 0.195 386 E C 2.196 178.901 176.600 0.174 0.000 0.992 386 E CA 1.068 57.531 56.400 0.105 0.000 0.804 386 E CB -0.270 29.486 29.700 0.094 0.000 0.741 386 E HN 0.632 nan 8.360 nan 0.000 0.458 387 A N 0.975 123.878 122.820 0.139 0.000 1.969 387 A HA 0.011 4.317 4.320 -0.024 0.000 0.218 387 A C 2.234 179.939 177.584 0.202 0.000 1.169 387 A CA 1.348 53.488 52.037 0.171 0.000 0.635 387 A CB -0.299 18.761 19.000 0.100 0.000 0.810 387 A HN 0.269 nan 8.150 nan 0.000 0.445 388 A N -0.687 122.223 122.820 0.149 0.000 2.238 388 A HA 0.356 4.661 4.320 -0.024 0.000 0.208 388 A C 0.837 178.593 177.584 0.286 0.000 1.177 388 A CA -0.233 51.900 52.037 0.160 0.000 0.804 388 A CB -0.446 18.598 19.000 0.074 0.000 0.823 388 A HN 0.457 nan 8.150 nan 0.000 0.482 389 I N -0.302 120.363 120.570 0.158 0.000 2.752 389 I HA -0.095 4.060 4.170 -0.024 0.000 0.287 389 I C 0.330 176.433 176.117 -0.022 0.000 1.188 389 I CA 0.022 61.312 61.300 -0.015 0.000 1.427 389 I CB 0.405 38.197 38.000 -0.347 0.000 1.365 389 I HN 0.340 nan 8.210 nan 0.000 0.585 390 Y N 6.428 126.573 120.300 -0.257 0.000 2.724 390 Y HA 0.150 4.681 4.550 -0.031 0.000 0.332 390 Y C 1.112 176.882 175.900 -0.216 0.000 1.276 390 Y CA -0.604 57.220 58.100 -0.459 0.000 1.597 390 Y CB -0.666 37.498 38.460 -0.493 0.000 1.584 390 Y HN 0.514 nan 8.280 nan 0.000 0.478 391 H N 1.440 120.447 119.070 -0.105 0.000 2.387 391 H HA -0.202 4.333 4.556 -0.035 0.000 0.299 391 H C 1.943 177.048 175.328 -0.371 0.000 1.099 391 H CA 1.948 57.906 56.048 -0.150 0.000 1.315 391 H CB 0.102 29.811 29.762 -0.089 0.000 1.380 391 H HN 0.550 nan 8.280 nan 0.000 0.513 392 L N 0.829 121.773 121.223 -0.466 0.000 1.978 392 L HA -0.280 4.045 4.340 -0.024 0.000 0.218 392 L C 2.409 179.005 176.870 -0.456 0.000 1.075 392 L CA 2.033 56.560 54.840 -0.521 0.000 0.767 392 L CB -0.762 40.916 42.059 -0.635 0.000 0.890 392 L HN 0.349 nan 8.230 nan 0.000 0.434 393 Q N -1.626 117.760 119.800 -0.689 0.000 2.096 393 Q HA -0.184 4.141 4.340 -0.024 0.000 0.197 393 Q C 2.238 178.154 176.000 -0.139 0.000 0.964 393 Q CA 1.380 56.988 55.803 -0.324 0.000 0.838 393 Q CB -0.184 28.444 28.738 -0.182 0.000 0.906 393 Q HN 0.462 nan 8.270 nan 0.000 0.444 394 L N 0.339 121.498 121.223 -0.107 0.000 1.989 394 L HA -0.163 4.162 4.340 -0.024 0.000 0.211 394 L C 2.015 178.963 176.870 0.130 0.000 1.071 394 L CA 1.905 56.755 54.840 0.017 0.000 0.749 394 L CB -0.868 41.209 42.059 0.029 0.000 0.890 394 L HN 0.402 nan 8.230 nan 0.000 0.431 395 F N -0.087 119.849 119.950 -0.024 0.000 2.134 395 F HA -0.246 4.268 4.527 -0.022 0.000 0.299 395 F C 2.661 178.473 175.800 0.019 0.000 1.097 395 F CA 1.483 59.516 58.000 0.055 0.000 1.264 395 F CB -0.173 38.826 39.000 -0.001 0.000 1.001 395 F HN 0.169 nan 8.300 nan 0.000 0.479 396 E N 0.523 120.649 120.200 -0.122 0.000 2.085 396 E HA -0.271 4.064 4.350 -0.024 0.000 0.194 396 E C 1.969 178.486 176.600 -0.138 0.000 0.994 396 E CA 2.006 58.284 56.400 -0.204 0.000 0.801 396 E CB -0.438 29.177 29.700 -0.141 0.000 0.743 396 E HN 0.722 nan 8.360 nan 0.000 0.453 397 E N -0.475 119.686 120.200 -0.065 0.000 2.107 397 E HA -0.037 4.299 4.350 -0.024 0.000 0.191 397 E C 2.428 179.025 176.600 -0.004 0.000 0.982 397 E CA 1.027 57.407 56.400 -0.033 0.000 0.809 397 E CB -0.148 29.539 29.700 -0.021 0.000 0.756 397 E HN 0.370 nan 8.360 nan 0.000 0.459 398 L N 0.544 121.793 121.223 0.042 0.000 2.017 398 L HA -0.188 4.137 4.340 -0.024 0.000 0.208 398 L C 2.565 179.517 176.870 0.137 0.000 1.073 398 L CA 1.219 56.126 54.840 0.112 0.000 0.745 398 L CB -0.283 41.920 42.059 0.239 0.000 0.894 398 L HN 0.030 nan 8.230 nan 0.000 0.432 399 R N -0.189 120.325 120.500 0.024 0.000 2.080 399 R HA -0.220 4.105 4.340 -0.024 0.000 0.236 399 R C 2.736 179.018 176.300 -0.029 0.000 1.137 399 R CA 2.200 58.262 56.100 -0.062 0.000 0.943 399 R CB -0.709 29.382 30.300 -0.347 0.000 0.846 399 R HN 0.335 nan 8.270 nan 0.000 0.431 400 R N 1.092 121.558 120.500 -0.056 0.000 2.105 400 R HA -0.042 4.283 4.340 -0.024 0.000 0.239 400 R C 2.123 178.419 176.300 -0.006 0.000 1.135 400 R CA 1.814 57.892 56.100 -0.036 0.000 0.967 400 R CB -1.362 28.911 30.300 -0.045 0.000 0.861 400 R HN 0.252 nan 8.270 nan 0.000 0.442 401 L N 0.319 121.548 121.223 0.009 0.000 2.558 401 L HA 0.327 4.652 4.340 -0.024 0.000 0.225 401 L C 1.286 178.175 176.870 0.031 0.000 1.128 401 L CA 0.008 54.858 54.840 0.015 0.000 0.868 401 L CB -0.033 42.033 42.059 0.011 0.000 1.006 401 L HN 0.463 nan 8.230 nan 0.000 0.454 402 A N 0.959 123.814 122.820 0.059 0.000 2.440 402 A HA 0.424 4.730 4.320 -0.024 0.000 0.251 402 A C -2.028 175.593 177.584 0.062 0.000 1.089 402 A CA -1.061 51.027 52.037 0.085 0.000 0.779 402 A CB -0.475 18.640 19.000 0.193 0.000 1.022 402 A HN -0.022 nan 8.150 nan 0.000 0.492 403 P HA 0.248 nan 4.420 nan 0.000 0.262 403 P C 0.073 177.404 177.300 0.051 0.000 1.182 403 P CA 0.391 63.517 63.100 0.043 0.000 0.761 403 P CB 0.114 31.837 31.700 0.039 0.000 0.795 404 I N 0.726 121.317 120.570 0.036 0.000 2.452 404 I HA 0.605 4.761 4.170 -0.024 0.000 0.287 404 I C 0.847 176.984 176.117 0.033 0.000 1.079 404 I CA 0.474 61.793 61.300 0.032 0.000 1.387 404 I CB -0.618 37.393 38.000 0.019 0.000 1.404 404 I HN 0.616 nan 8.210 nan 0.000 0.522 405 T N 2.851 117.429 114.554 0.039 0.000 2.909 405 T HA 0.761 5.096 4.350 -0.024 0.000 0.299 405 T C 0.792 175.513 174.700 0.035 0.000 1.073 405 T CA 0.052 62.175 62.100 0.038 0.000 0.999 405 T CB 0.856 69.753 68.868 0.048 0.000 1.098 405 T HN 1.730 nan 8.240 nan 0.000 0.477 406 S N 0.963 116.681 115.700 0.031 0.000 2.754 406 S HA 0.355 4.810 4.470 -0.024 0.000 0.223 406 S C 0.646 175.269 174.600 0.038 0.000 0.951 406 S CA -0.067 58.150 58.200 0.030 0.000 0.954 406 S CB -0.332 62.883 63.200 0.024 0.000 0.780 406 S HN 0.729 nan 8.310 nan 0.000 0.509 407 D N 1.782 122.209 120.400 0.045 0.000 2.358 407 D HA 0.253 4.878 4.640 -0.024 0.000 0.258 407 D C -1.632 174.705 176.300 0.061 0.000 1.223 407 D CA -2.103 51.929 54.000 0.053 0.000 0.886 407 D CB 1.481 42.312 40.800 0.053 0.000 1.120 407 D HN 0.011 nan 8.370 nan 0.000 0.482 408 P HA -0.108 nan 4.420 nan 0.000 0.219 408 P C 1.272 178.626 177.300 0.090 0.000 1.150 408 P CA 1.248 64.397 63.100 0.081 0.000 0.814 408 P CB -0.038 31.726 31.700 0.107 0.000 0.787 409 T N -2.096 112.511 114.554 0.089 0.000 2.746 409 T HA -0.159 4.177 4.350 -0.024 0.000 0.267 409 T C 1.707 176.460 174.700 0.089 0.000 1.039 409 T CA 1.187 63.337 62.100 0.083 0.000 1.142 409 T CB -0.986 67.914 68.868 0.053 0.000 0.866 409 T HN 0.204 nan 8.240 nan 0.000 0.444 410 E N 1.565 121.822 120.200 0.095 0.000 2.106 410 E HA 0.027 4.363 4.350 -0.024 0.000 0.192 410 E C 2.659 179.317 176.600 0.096 0.000 0.984 410 E CA 0.942 57.422 56.400 0.133 0.000 0.806 410 E CB -0.352 29.433 29.700 0.141 0.000 0.750 410 E HN 0.680 nan 8.360 nan 0.000 0.458 411 A N 0.899 123.757 122.820 0.063 0.000 1.898 411 A HA -0.166 4.139 4.320 -0.024 0.000 0.216 411 A C 2.373 179.974 177.584 0.029 0.000 1.181 411 A CA 1.813 53.868 52.037 0.032 0.000 0.620 411 A CB -0.834 18.185 19.000 0.031 0.000 0.819 411 A HN 0.170 nan 8.150 nan 0.000 0.442 412 T N 0.433 115.019 114.554 0.052 0.000 2.746 412 T HA -0.032 4.304 4.350 -0.024 0.000 0.267 412 T C 2.229 176.957 174.700 0.047 0.000 1.039 412 T CA 1.593 63.725 62.100 0.053 0.000 1.142 412 T CB -0.492 68.420 68.868 0.074 0.000 0.866 412 T HN 0.600 nan 8.240 nan 0.000 0.444 413 A N 0.930 123.792 122.820 0.070 0.000 1.865 413 A HA -0.073 4.232 4.320 -0.024 0.000 0.217 413 A C 2.588 180.196 177.584 0.040 0.000 1.191 413 A CA 1.705 53.800 52.037 0.097 0.000 0.623 413 A CB -1.268 17.849 19.000 0.196 0.000 0.826 413 A HN 0.332 nan 8.150 nan 0.000 0.444 414 V N 0.114 119.980 119.914 -0.079 0.000 2.407 414 V HA -0.123 3.983 4.120 -0.024 0.000 0.248 414 V C 2.462 178.540 176.094 -0.028 0.000 1.055 414 V CA 2.498 64.650 62.300 -0.246 0.000 1.049 414 V CB -0.976 30.565 31.823 -0.471 0.000 0.662 414 V HN 0.589 nan 8.190 nan 0.000 0.455 415 G N -0.824 107.971 108.800 -0.008 0.000 2.418 415 G HA2 -0.232 3.713 3.960 -0.024 0.000 0.217 415 G HA3 -0.232 3.713 3.960 -0.024 0.000 0.217 415 G C 1.776 176.685 174.900 0.015 0.000 1.158 415 G CA 1.031 46.143 45.100 0.020 0.000 0.771 415 G HN 0.731 nan 8.290 nan 0.000 0.545 416 A N 0.070 122.891 122.820 0.002 0.000 1.902 416 A HA 0.068 4.373 4.320 -0.024 0.000 0.217 416 A C 2.614 180.153 177.584 -0.075 0.000 1.181 416 A CA 1.920 53.943 52.037 -0.025 0.000 0.623 416 A CB -0.607 18.386 19.000 -0.011 0.000 0.818 416 A HN 0.269 nan 8.150 nan 0.000 0.443 417 V N -0.131 119.737 119.914 -0.077 0.000 2.307 417 V HA -0.225 3.881 4.120 -0.024 0.000 0.245 417 V C 2.550 178.494 176.094 -0.250 0.000 1.045 417 V CA 2.327 64.488 62.300 -0.233 0.000 1.024 417 V CB -0.763 30.953 31.823 -0.177 0.000 0.651 417 V HN 0.717 nan 8.190 nan 0.000 0.449 418 E N 1.051 121.266 120.200 0.026 0.000 2.070 418 E HA -0.252 4.083 4.350 -0.024 0.000 0.197 418 E C 2.133 178.786 176.600 0.089 0.000 1.004 418 E CA 1.976 58.492 56.400 0.193 0.000 0.805 418 E CB -0.558 29.296 29.700 0.257 0.000 0.744 418 E HN 0.509 nan 8.360 nan 0.000 0.451 419 A N 0.196 123.027 122.820 0.017 0.000 1.940 419 A HA -0.222 4.084 4.320 -0.024 0.000 0.219 419 A C 2.404 179.953 177.584 -0.059 0.000 1.176 419 A CA 2.479 54.511 52.037 -0.009 0.000 0.631 419 A CB -1.107 17.880 19.000 -0.022 0.000 0.814 419 A HN 0.463 nan 8.150 nan 0.000 0.446 420 S N -1.027 114.576 115.700 -0.161 0.000 2.382 420 S HA -0.140 4.315 4.470 -0.024 0.000 0.228 420 S C 1.697 176.140 174.600 -0.261 0.000 1.027 420 S CA 1.487 59.531 58.200 -0.261 0.000 0.991 420 S CB -0.729 62.229 63.200 -0.403 0.000 0.823 420 S HN 0.349 nan 8.310 nan 0.000 0.469 421 F N 2.225 122.083 119.950 -0.155 0.000 2.163 421 F HA 0.233 4.741 4.527 -0.032 0.000 0.297 421 F C 2.540 178.295 175.800 -0.075 0.000 1.094 421 F CA 1.071 58.986 58.000 -0.142 0.000 1.290 421 F CB -0.641 38.255 39.000 -0.173 0.000 1.017 421 F HN 0.189 nan 8.300 nan 0.000 0.483 422 K N 0.796 121.274 120.400 0.128 0.000 2.097 422 K HA -0.157 4.149 4.320 -0.024 0.000 0.206 422 K C 1.755 178.377 176.600 0.037 0.000 1.049 422 K CA 1.831 58.162 56.287 0.074 0.000 0.933 422 K CB -0.665 31.869 32.500 0.056 0.000 0.717 422 K HN 0.412 nan 8.250 nan 0.000 0.442 423 C N -2.055 117.250 119.300 0.008 0.000 2.884 423 C HA 0.429 4.874 4.460 -0.024 0.000 0.287 423 C C 0.707 175.686 174.990 -0.019 0.000 1.310 423 C CA -0.867 58.146 59.018 -0.010 0.000 1.725 423 C CB -1.913 25.810 27.740 -0.028 0.000 2.060 423 C HN 0.505 nan 8.230 nan 0.000 0.618 424 C N 3.852 123.145 119.300 -0.012 0.000 3.349 424 C HA -0.091 4.354 4.460 -0.024 0.000 0.275 424 C C 1.041 175.998 174.990 -0.055 0.000 1.322 424 C CA 0.835 59.838 59.018 -0.024 0.000 2.261 424 C CB -2.974 24.770 27.740 0.007 0.000 1.446 424 C HN 1.071 nan 8.230 nan 0.000 0.533 425 S N 1.390 117.032 115.700 -0.096 0.000 2.585 425 S HA 0.480 4.936 4.470 -0.024 0.000 0.273 425 S C 1.379 175.932 174.600 -0.078 0.000 1.339 425 S CA 0.307 58.447 58.200 -0.100 0.000 1.028 425 S CB 1.699 64.821 63.200 -0.130 0.000 0.906 425 S HN 1.393 nan 8.310 nan 0.000 0.528 426 G N 0.731 109.502 108.800 -0.049 0.000 2.572 426 G HA2 0.467 4.412 3.960 -0.024 0.000 0.216 426 G HA3 0.467 4.412 3.960 -0.024 0.000 0.216 426 G C 0.359 175.338 174.900 0.133 0.000 1.133 426 G CA 0.312 45.461 45.100 0.082 0.000 0.791 426 G HN 1.447 nan 8.290 nan 0.000 0.538 427 A N -1.042 121.786 122.820 0.013 0.000 2.567 427 A HA 0.617 4.922 4.320 -0.024 0.000 0.291 427 A C -1.742 175.813 177.584 -0.049 0.000 1.048 427 A CA -0.713 51.340 52.037 0.028 0.000 0.661 427 A CB 0.446 19.606 19.000 0.267 0.000 1.288 427 A HN 0.132 nan 8.150 nan 0.000 0.424 428 I N 1.541 122.093 120.570 -0.031 0.000 2.382 428 I HA 0.353 4.508 4.170 -0.024 0.000 0.285 428 I C -0.751 175.376 176.117 0.016 0.000 1.007 428 I CA -0.283 60.998 61.300 -0.032 0.000 1.142 428 I CB 1.310 39.282 38.000 -0.045 0.000 1.289 428 I HN 0.471 nan 8.210 nan 0.000 0.453 429 I N 7.133 127.709 120.570 0.010 0.000 2.371 429 I HA 0.268 4.424 4.170 -0.024 0.000 0.290 429 I C -0.406 175.728 176.117 0.029 0.000 1.028 429 I CA -0.448 60.874 61.300 0.036 0.000 1.345 429 I CB 1.140 39.157 38.000 0.028 0.000 1.407 429 I HN 0.205 nan 8.210 nan 0.000 0.501 430 V N 7.377 127.316 119.914 0.041 0.000 2.483 430 V HA 0.356 4.462 4.120 -0.024 0.000 0.297 430 V C 0.027 176.142 176.094 0.036 0.000 1.027 430 V CA -0.701 61.617 62.300 0.031 0.000 0.855 430 V CB 1.782 33.619 31.823 0.022 0.000 0.995 430 V HN 0.461 nan 8.190 nan 0.000 0.424 431 L N 3.921 125.164 121.223 0.032 0.000 2.319 431 L HA 0.617 4.942 4.340 -0.024 0.000 0.280 431 L C 0.266 177.152 176.870 0.026 0.000 1.099 431 L CA 0.409 55.271 54.840 0.036 0.000 0.828 431 L CB 1.286 43.362 42.059 0.028 0.000 1.150 431 L HN 0.755 nan 8.230 nan 0.000 0.442 432 T N 1.351 115.915 114.554 0.017 0.000 3.041 432 T HA 0.177 4.512 4.350 -0.024 0.000 0.321 432 T C 0.487 175.183 174.700 -0.007 0.000 1.184 432 T CA -0.513 61.577 62.100 -0.016 0.000 1.050 432 T CB 1.868 70.690 68.868 -0.078 0.000 1.159 432 T HN 0.495 nan 8.240 nan 0.000 0.469 433 K N 1.673 122.065 120.400 -0.013 0.000 2.078 433 K HA 0.083 4.389 4.320 -0.024 0.000 0.203 433 K C 2.540 179.127 176.600 -0.021 0.000 1.043 433 K CA 1.475 57.760 56.287 -0.002 0.000 0.960 433 K CB -0.526 31.978 32.500 0.007 0.000 0.761 433 K HN 0.823 nan 8.250 nan 0.000 0.448 434 S N -1.475 114.192 115.700 -0.056 0.000 2.503 434 S HA 0.296 4.751 4.470 -0.024 0.000 0.215 434 S C 1.676 176.205 174.600 -0.118 0.000 1.003 434 S CA 0.826 58.990 58.200 -0.060 0.000 0.910 434 S CB 0.724 63.884 63.200 -0.066 0.000 0.790 434 S HN 0.702 nan 8.310 nan 0.000 0.514 435 G N 0.971 109.635 108.800 -0.227 0.000 2.254 435 G HA2 -0.314 3.631 3.960 -0.024 0.000 0.225 435 G HA3 -0.314 3.631 3.960 -0.024 0.000 0.225 435 G C 1.126 175.397 174.900 -1.047 0.000 1.003 435 G CA 0.270 45.081 45.100 -0.483 0.000 0.622 435 G HN 0.414 nan 8.290 nan 0.000 0.507 436 R N 0.875 120.953 120.500 -0.704 0.000 2.103 436 R HA -0.012 4.314 4.340 -0.024 0.000 0.242 436 R C 3.032 179.118 176.300 -0.358 0.000 1.142 436 R CA 2.303 58.082 56.100 -0.536 0.000 0.960 436 R CB -1.384 28.794 30.300 -0.203 0.000 0.858 436 R HN 0.637 nan 8.270 nan 0.000 0.439 437 S N 0.240 115.793 115.700 -0.244 0.000 2.370 437 S HA -0.145 4.310 4.470 -0.024 0.000 0.226 437 S C 2.226 176.762 174.600 -0.107 0.000 1.033 437 S CA 1.255 59.384 58.200 -0.118 0.000 1.011 437 S CB -0.471 62.691 63.200 -0.063 0.000 0.852 437 S HN 0.673 nan 8.310 nan 0.000 0.457 438 A N 0.975 123.687 122.820 -0.179 0.000 1.968 438 A HA -0.063 4.242 4.320 -0.024 0.000 0.217 438 A C 1.640 179.179 177.584 -0.075 0.000 1.169 438 A CA 1.114 53.095 52.037 -0.094 0.000 0.638 438 A CB -0.807 18.150 19.000 -0.072 0.000 0.812 438 A HN 0.689 nan 8.150 nan 0.000 0.446 439 H N -0.629 118.261 119.070 -0.300 0.000 2.353 439 H HA -0.137 4.404 4.556 -0.024 0.000 0.300 439 H C 2.248 177.476 175.328 -0.167 0.000 1.090 439 H CA 1.329 57.085 56.048 -0.487 0.000 1.327 439 H CB -0.003 29.358 29.762 -0.670 0.000 1.383 439 H HN 0.580 nan 8.280 nan 0.000 0.508 440 Q N 0.428 120.244 119.800 0.028 0.000 2.170 440 Q HA -0.106 4.219 4.340 -0.024 0.000 0.203 440 Q C 2.525 178.622 176.000 0.162 0.000 0.976 440 Q CA 1.298 57.151 55.803 0.082 0.000 0.858 440 Q CB 0.166 28.956 28.738 0.087 0.000 0.907 440 Q HN 0.299 nan 8.270 nan 0.000 0.433 441 V N 0.645 120.640 119.914 0.134 0.000 2.379 441 V HA -0.217 3.888 4.120 -0.024 0.000 0.245 441 V C 2.238 178.432 176.094 0.166 0.000 1.044 441 V CA 1.676 64.079 62.300 0.171 0.000 1.036 441 V CB -0.897 30.979 31.823 0.089 0.000 0.664 441 V HN 0.369 nan 8.190 nan 0.000 0.453 442 A N 0.407 123.295 122.820 0.114 0.000 1.940 442 A HA -0.271 4.034 4.320 -0.024 0.000 0.219 442 A C 2.396 180.050 177.584 0.117 0.000 1.176 442 A CA 2.037 54.152 52.037 0.129 0.000 0.631 442 A CB -0.647 18.452 19.000 0.165 0.000 0.814 442 A HN 0.513 nan 8.150 nan 0.000 0.446 443 R N -1.783 118.745 120.500 0.046 0.000 2.159 443 R HA -0.178 4.147 4.340 -0.024 0.000 0.237 443 R C 0.882 177.063 176.300 -0.199 0.000 1.131 443 R CA 1.716 57.754 56.100 -0.104 0.000 0.982 443 R CB -0.319 29.834 30.300 -0.246 0.000 0.868 443 R HN 0.579 nan 8.270 nan 0.000 0.453 444 Y N 0.416 120.826 120.300 0.183 0.000 2.466 444 Y HA 0.271 4.805 4.550 -0.026 0.000 0.272 444 Y C 0.160 176.221 175.900 0.268 0.000 1.169 444 Y CA -0.224 58.043 58.100 0.278 0.000 1.285 444 Y CB 0.442 39.118 38.460 0.361 0.000 1.078 444 Y HN -0.068 nan 8.280 nan 0.000 0.523 445 R N -0.341 120.320 120.500 0.269 0.000 3.267 445 R HA -0.145 4.180 4.340 -0.024 0.000 0.254 445 R C -2.876 173.569 176.300 0.242 0.000 0.993 445 R CA 0.270 56.518 56.100 0.246 0.000 0.670 445 R CB -2.168 28.287 30.300 0.258 0.000 1.125 445 R HN 0.290 nan 8.270 nan 0.000 0.434 446 P HA -0.013 nan 4.420 nan 0.000 0.269 446 P C 0.765 177.953 177.300 -0.186 0.000 1.215 446 P CA -0.110 62.799 63.100 -0.319 0.000 0.780 446 P CB 0.540 32.015 31.700 -0.375 0.000 0.898 447 R N 2.261 122.492 120.500 -0.448 0.000 2.075 447 R HA -0.019 4.306 4.340 -0.024 0.000 0.232 447 R C 0.793 176.976 176.300 -0.196 0.000 1.126 447 R CA 0.852 56.762 56.100 -0.316 0.000 0.963 447 R CB -0.554 29.464 30.300 -0.470 0.000 0.858 447 R HN 0.622 nan 8.270 nan 0.000 0.435 448 A N 2.769 125.420 122.820 -0.283 0.000 2.462 448 A HA 0.256 4.561 4.320 -0.024 0.000 0.243 448 A C -2.184 175.325 177.584 -0.124 0.000 1.076 448 A CA -1.298 50.620 52.037 -0.198 0.000 0.773 448 A CB 0.021 18.890 19.000 -0.219 0.000 1.010 448 A HN 0.294 nan 8.150 nan 0.000 0.493 449 P HA 0.186 nan 4.420 nan 0.000 0.268 449 P C -0.783 176.518 177.300 0.002 0.000 1.205 449 P CA 0.330 63.367 63.100 -0.105 0.000 0.771 449 P CB 0.489 31.732 31.700 -0.762 0.000 0.858 450 I N 3.793 124.477 120.570 0.190 0.000 2.306 450 I HA 0.293 4.448 4.170 -0.024 0.000 0.288 450 I C 0.691 176.948 176.117 0.234 0.000 1.036 450 I CA -0.636 60.758 61.300 0.157 0.000 1.221 450 I CB 0.478 38.559 38.000 0.136 0.000 1.385 450 I HN 0.114 nan 8.210 nan 0.000 0.472 451 I N 6.286 126.954 120.570 0.164 0.000 2.308 451 I HA 0.285 4.441 4.170 -0.024 0.000 0.293 451 I C 0.634 176.829 176.117 0.130 0.000 1.078 451 I CA -0.130 61.277 61.300 0.178 0.000 1.292 451 I CB 0.861 38.950 38.000 0.148 0.000 1.423 451 I HN 0.610 nan 8.210 nan 0.000 0.493 452 A N 7.464 130.363 122.820 0.132 0.000 2.294 452 A HA 0.541 4.846 4.320 -0.024 0.000 0.316 452 A C -0.227 177.417 177.584 0.100 0.000 1.359 452 A CA -0.425 51.664 52.037 0.087 0.000 0.956 452 A CB 0.287 19.323 19.000 0.060 0.000 1.155 452 A HN 0.476 nan 8.150 nan 0.000 0.544 453 V N 2.883 122.860 119.914 0.104 0.000 2.406 453 V HA 0.580 4.686 4.120 -0.024 0.000 0.272 453 V C 0.628 176.789 176.094 0.113 0.000 1.043 453 V CA 0.074 62.466 62.300 0.154 0.000 0.915 453 V CB 0.994 32.929 31.823 0.187 0.000 0.988 453 V HN 0.910 nan 8.190 nan 0.000 0.466 454 T N 4.407 119.033 114.554 0.121 0.000 2.900 454 T HA 0.426 4.761 4.350 -0.024 0.000 0.303 454 T C 0.539 175.279 174.700 0.066 0.000 1.142 454 T CA -0.656 61.490 62.100 0.076 0.000 1.007 454 T CB 1.719 70.622 68.868 0.057 0.000 1.156 454 T HN 0.648 nan 8.240 nan 0.000 0.490 455 R N 1.502 122.024 120.500 0.036 0.000 2.334 455 R HA 0.199 4.525 4.340 -0.024 0.000 0.216 455 R C 0.383 176.696 176.300 0.021 0.000 0.905 455 R CA -0.218 55.889 56.100 0.013 0.000 1.064 455 R CB 0.196 30.494 30.300 -0.004 0.000 1.046 455 R HN 0.361 nan 8.270 nan 0.000 0.508 456 N N 1.839 120.558 118.700 0.033 0.000 2.415 456 N HA 0.075 4.800 4.740 -0.024 0.000 0.246 456 N C -2.069 173.471 175.510 0.050 0.000 1.078 456 N CA -2.003 51.067 53.050 0.033 0.000 0.942 456 N CB 1.668 40.172 38.487 0.029 0.000 1.140 456 N HN -0.155 nan 8.380 nan 0.000 0.501 457 P HA -0.163 nan 4.420 nan 0.000 0.216 457 P C 1.193 178.541 177.300 0.081 0.000 1.150 457 P CA 1.184 64.330 63.100 0.077 0.000 0.837 457 P CB 0.383 32.122 31.700 0.064 0.000 0.786 458 Q N -0.806 119.031 119.800 0.061 0.000 2.079 458 Q HA -0.124 4.202 4.340 -0.024 0.000 0.200 458 Q C 1.816 177.859 176.000 0.071 0.000 0.974 458 Q CA 1.917 57.757 55.803 0.062 0.000 0.840 458 Q CB -0.616 28.150 28.738 0.045 0.000 0.898 458 Q HN 0.122 nan 8.270 nan 0.000 0.430 459 T N 0.685 115.278 114.554 0.064 0.000 2.720 459 T HA -0.181 4.154 4.350 -0.024 0.000 0.268 459 T C 1.749 176.489 174.700 0.067 0.000 1.037 459 T CA 1.308 63.450 62.100 0.069 0.000 1.144 459 T CB -0.400 68.492 68.868 0.041 0.000 0.864 459 T HN 0.484 nan 8.240 nan 0.000 0.444 460 A N 1.809 124.666 122.820 0.062 0.000 1.877 460 A HA -0.137 4.169 4.320 -0.024 0.000 0.216 460 A C 2.390 179.967 177.584 -0.011 0.000 1.186 460 A CA 1.484 53.546 52.037 0.040 0.000 0.620 460 A CB -0.494 18.566 19.000 0.100 0.000 0.822 460 A HN 0.433 nan 8.150 nan 0.000 0.443 461 R N -0.693 119.847 120.500 0.067 0.000 2.073 461 R HA -0.143 4.183 4.340 -0.024 0.000 0.234 461 R C 2.427 178.806 176.300 0.133 0.000 1.134 461 R CA 1.716 57.889 56.100 0.122 0.000 0.952 461 R CB -0.367 30.011 30.300 0.129 0.000 0.850 461 R HN 0.672 nan 8.270 nan 0.000 0.433 462 Q N -0.052 119.818 119.800 0.116 0.000 2.230 462 Q HA -0.009 4.316 4.340 -0.024 0.000 0.202 462 Q C 2.046 178.161 176.000 0.192 0.000 0.963 462 Q CA 1.049 56.942 55.803 0.150 0.000 0.866 462 Q CB 0.050 28.877 28.738 0.150 0.000 0.931 462 Q HN 0.351 nan 8.270 nan 0.000 0.452 463 A N 0.558 123.463 122.820 0.142 0.000 2.070 463 A HA -0.194 4.111 4.320 -0.024 0.000 0.220 463 A C 1.427 179.107 177.584 0.160 0.000 1.159 463 A CA 1.015 53.162 52.037 0.183 0.000 0.656 463 A CB -0.555 18.485 19.000 0.066 0.000 0.800 463 A HN 0.359 nan 8.150 nan 0.000 0.453 464 H N -0.196 118.948 119.070 0.124 0.000 2.518 464 H HA -0.048 4.492 4.556 -0.027 0.000 0.292 464 H C 1.685 177.030 175.328 0.029 0.000 1.068 464 H CA 1.211 57.289 56.048 0.049 0.000 1.275 464 H CB -0.219 29.557 29.762 0.024 0.000 1.375 464 H HN 0.464 nan 8.280 nan 0.000 0.563 465 L N -0.223 121.087 121.223 0.145 0.000 2.456 465 L HA -0.118 4.207 4.340 -0.024 0.000 0.224 465 L C 0.057 176.768 176.870 -0.264 0.000 1.148 465 L CA 0.589 55.377 54.840 -0.085 0.000 0.825 465 L CB -0.163 41.766 42.059 -0.217 0.000 0.937 465 L HN 0.130 nan 8.230 nan 0.000 0.450 466 Y N -0.559 119.720 120.300 -0.035 0.000 2.331 466 Y HA 0.372 4.905 4.550 -0.027 0.000 0.338 466 Y C 0.592 176.479 175.900 -0.023 0.000 0.992 466 Y CA -1.308 56.767 58.100 -0.042 0.000 1.121 466 Y CB 0.847 39.282 38.460 -0.042 0.000 1.184 466 Y HN -0.106 nan 8.280 nan 0.000 0.469 467 R N 1.895 122.450 120.500 0.092 0.000 2.494 467 R HA 0.210 4.535 4.340 -0.024 0.000 0.291 467 R C 1.152 177.507 176.300 0.091 0.000 0.953 467 R CA 1.491 57.628 56.100 0.063 0.000 1.098 467 R CB -0.557 29.781 30.300 0.063 0.000 0.911 467 R HN 0.995 nan 8.270 nan 0.000 0.407 468 G N 3.764 112.586 108.800 0.037 0.000 2.241 468 G HA2 -0.271 3.674 3.960 -0.024 0.000 0.244 468 G HA3 -0.271 3.674 3.960 -0.024 0.000 0.244 468 G C 0.233 175.212 174.900 0.131 0.000 0.998 468 G CA 0.098 45.260 45.100 0.104 0.000 0.621 468 G HN 0.573 nan 8.290 nan 0.000 0.519 469 I N 1.346 121.944 120.570 0.046 0.000 2.396 469 I HA 0.392 4.547 4.170 -0.024 0.000 0.289 469 I C -0.174 175.907 176.117 -0.060 0.000 1.056 469 I CA -0.221 61.133 61.300 0.090 0.000 1.365 469 I CB 0.360 38.423 38.000 0.104 0.000 1.407 469 I HN 0.012 nan 8.210 nan 0.000 0.509 470 F N 8.070 128.064 119.950 0.074 0.000 2.293 470 F HA 0.334 4.837 4.527 -0.039 0.000 0.370 470 F C -1.989 173.841 175.800 0.050 0.000 1.090 470 F CA -2.326 55.734 58.000 0.101 0.000 1.133 470 F CB 0.825 39.933 39.000 0.181 0.000 1.360 470 F HN 0.274 nan 8.300 nan 0.000 0.489 471 P HA 0.225 nan 4.420 nan 0.000 0.280 471 P C -0.914 176.446 177.300 0.101 0.000 1.244 471 P CA -0.214 62.901 63.100 0.025 0.000 0.784 471 P CB 1.998 33.603 31.700 -0.159 0.000 0.913 472 V N 1.731 121.735 119.914 0.150 0.000 2.656 472 V HA 0.544 4.649 4.120 -0.024 0.000 0.307 472 V C -0.855 175.440 176.094 0.335 0.000 1.051 472 V CA -1.198 61.240 62.300 0.230 0.000 0.893 472 V CB 1.932 33.818 31.823 0.106 0.000 0.999 472 V HN 0.301 nan 8.190 nan 0.000 0.426 473 L N 5.868 127.330 121.223 0.398 0.000 2.283 473 L HA 0.593 4.918 4.340 -0.024 0.000 0.281 473 L C 0.024 176.983 176.870 0.149 0.000 1.033 473 L CA -0.148 54.848 54.840 0.259 0.000 0.848 473 L CB 0.416 42.618 42.059 0.239 0.000 1.226 473 L HN 1.087 nan 8.230 nan 0.000 0.429 474 C N 5.525 124.830 119.300 0.009 0.000 2.629 474 C HA 0.223 4.668 4.460 -0.024 0.000 0.410 474 C C 1.395 176.221 174.990 -0.272 0.000 1.339 474 C CA -0.248 58.524 59.018 -0.410 0.000 1.810 474 C CB -0.617 26.942 27.740 -0.301 0.000 2.549 474 C HN 0.927 nan 8.230 nan 0.000 0.589 475 K N 3.153 123.351 120.400 -0.336 0.000 2.374 475 K HA 0.127 4.432 4.320 -0.024 0.000 0.202 475 K C -0.005 176.484 176.600 -0.186 0.000 1.040 475 K CA -0.235 55.929 56.287 -0.205 0.000 1.085 475 K CB 0.230 32.625 32.500 -0.175 0.000 0.873 475 K HN 0.748 nan 8.250 nan 0.000 0.539 476 D N 3.674 123.932 120.400 -0.237 0.000 2.455 476 D HA 0.043 4.668 4.640 -0.024 0.000 0.241 476 D C -2.288 173.944 176.300 -0.112 0.000 1.138 476 D CA -0.779 53.122 54.000 -0.166 0.000 0.877 476 D CB 0.859 41.550 40.800 -0.181 0.000 1.187 476 D HN -0.030 nan 8.370 nan 0.000 0.451 477 P HA -0.013 nan 4.420 nan 0.000 0.269 477 P C -0.302 176.972 177.300 -0.044 0.000 1.215 477 P CA -0.428 62.640 63.100 -0.053 0.000 0.780 477 P CB 0.540 32.217 31.700 -0.039 0.000 0.898 478 V N 3.227 123.126 119.914 -0.025 0.000 2.529 478 V HA -0.021 4.085 4.120 -0.024 0.000 0.292 478 V C 0.811 176.904 176.094 -0.001 0.000 1.028 478 V CA 0.108 62.404 62.300 -0.006 0.000 1.074 478 V CB -0.318 31.517 31.823 0.020 0.000 0.958 478 V HN 0.455 nan 8.190 nan 0.000 0.481 479 Q N 3.569 123.366 119.800 -0.004 0.000 2.293 479 Q HA 0.219 4.544 4.340 -0.024 0.000 0.251 479 Q C 1.154 177.174 176.000 0.032 0.000 0.930 479 Q CA -0.168 55.636 55.803 0.001 0.000 0.893 479 Q CB 1.037 29.764 28.738 -0.018 0.000 1.215 479 Q HN 0.742 nan 8.270 nan 0.000 0.425 480 E N 1.523 121.740 120.200 0.029 0.000 2.065 480 E HA -0.175 4.160 4.350 -0.024 0.000 0.201 480 E C 0.040 176.683 176.600 0.071 0.000 1.016 480 E CA 1.465 57.891 56.400 0.043 0.000 0.818 480 E CB 0.030 29.747 29.700 0.028 0.000 0.749 480 E HN 0.659 nan 8.360 nan 0.000 0.453 481 A N 0.500 123.357 122.820 0.061 0.000 2.350 481 A HA 0.041 4.346 4.320 -0.024 0.000 0.293 481 A C 0.219 177.871 177.584 0.114 0.000 1.231 481 A CA -0.240 51.849 52.037 0.086 0.000 0.883 481 A CB -0.184 18.846 19.000 0.050 0.000 1.133 481 A HN 0.475 nan 8.150 nan 0.000 0.533 482 W N 3.696 124.989 121.300 -0.012 0.000 2.335 482 W HA -0.221 4.424 4.660 -0.025 0.000 0.311 482 W C 1.981 178.496 176.519 -0.007 0.000 1.213 482 W CA 2.659 59.995 57.345 -0.015 0.000 1.274 482 W CB -0.117 29.327 29.460 -0.026 0.000 1.148 482 W HN 0.713 nan 8.180 nan 0.000 0.498 483 A N 0.234 123.049 122.820 -0.007 0.000 1.948 483 A HA -0.281 4.024 4.320 -0.024 0.000 0.220 483 A C 1.772 179.226 177.584 -0.216 0.000 1.177 483 A CA 2.188 54.112 52.037 -0.189 0.000 0.636 483 A CB -0.836 18.169 19.000 0.009 0.000 0.815 483 A HN 0.546 nan 8.150 nan 0.000 0.449 484 E N -1.053 119.073 120.200 -0.123 0.000 2.216 484 E HA -0.114 4.222 4.350 -0.024 0.000 0.192 484 E C 1.541 178.059 176.600 -0.136 0.000 0.988 484 E CA 0.726 57.066 56.400 -0.101 0.000 0.834 484 E CB -0.105 29.568 29.700 -0.045 0.000 0.772 484 E HN 0.662 nan 8.360 nan 0.000 0.479 485 D N 0.180 120.471 120.400 -0.182 0.000 2.144 485 D HA -0.128 4.498 4.640 -0.024 0.000 0.200 485 D C 1.832 177.965 176.300 -0.278 0.000 0.978 485 D CA 0.697 54.578 54.000 -0.198 0.000 0.833 485 D CB 0.206 40.901 40.800 -0.176 0.000 0.961 485 D HN -0.065 nan 8.370 nan 0.000 0.470 486 V N 0.585 120.215 119.914 -0.473 0.000 2.295 486 V HA -0.199 3.906 4.120 -0.024 0.000 0.246 486 V C 2.435 178.395 176.094 -0.222 0.000 1.049 486 V CA 2.504 64.542 62.300 -0.438 0.000 1.024 486 V CB -1.187 30.225 31.823 -0.685 0.000 0.648 486 V HN 0.472 nan 8.190 nan 0.000 0.447 487 D N -0.448 119.843 120.400 -0.182 0.000 2.178 487 D HA -0.146 4.480 4.640 -0.024 0.000 0.202 487 D C 2.136 178.404 176.300 -0.053 0.000 0.974 487 D CA 1.457 55.399 54.000 -0.097 0.000 0.841 487 D CB -0.289 40.465 40.800 -0.078 0.000 0.953 487 D HN 0.418 nan 8.370 nan 0.000 0.478 488 L N -0.697 120.489 121.223 -0.062 0.000 2.012 488 L HA -0.166 4.160 4.340 -0.024 0.000 0.210 488 L C 2.811 179.694 176.870 0.021 0.000 1.073 488 L CA 1.508 56.331 54.840 -0.027 0.000 0.748 488 L CB -0.112 41.914 42.059 -0.055 0.000 0.891 488 L HN 0.167 nan 8.230 nan 0.000 0.431 489 R N -1.030 119.471 120.500 0.002 0.000 2.075 489 R HA -0.113 4.212 4.340 -0.024 0.000 0.232 489 R C 2.134 178.515 176.300 0.134 0.000 1.126 489 R CA 1.414 57.565 56.100 0.085 0.000 0.963 489 R CB -0.487 29.831 30.300 0.031 0.000 0.858 489 R HN 0.284 nan 8.270 nan 0.000 0.435 490 V N 2.082 122.025 119.914 0.049 0.000 2.287 490 V HA -0.282 3.823 4.120 -0.024 0.000 0.248 490 V C 1.749 177.882 176.094 0.065 0.000 1.053 490 V CA 1.814 64.138 62.300 0.040 0.000 1.027 490 V CB -0.516 31.302 31.823 -0.008 0.000 0.646 490 V HN 0.371 nan 8.190 nan 0.000 0.447 491 N N -0.419 118.324 118.700 0.070 0.000 2.244 491 N HA -0.149 4.576 4.740 -0.024 0.000 0.183 491 N C 1.698 177.291 175.510 0.139 0.000 1.016 491 N CA 1.344 54.443 53.050 0.082 0.000 0.866 491 N CB -0.443 38.080 38.487 0.061 0.000 0.980 491 N HN 0.515 nan 8.380 nan 0.000 0.430 492 F N 2.160 122.117 119.950 0.012 0.000 2.095 492 F HA -0.124 4.390 4.527 -0.022 0.000 0.298 492 F C 2.244 178.067 175.800 0.039 0.000 1.104 492 F CA 1.308 59.319 58.000 0.019 0.000 1.232 492 F CB -0.663 38.345 39.000 0.012 0.000 0.987 492 F HN 0.029 nan 8.300 nan 0.000 0.475 493 A N 0.498 123.286 122.820 -0.054 0.000 1.933 493 A HA -0.184 4.121 4.320 -0.024 0.000 0.218 493 A C 2.231 179.827 177.584 0.020 0.000 1.175 493 A CA 1.838 53.809 52.037 -0.111 0.000 0.628 493 A CB -0.680 18.340 19.000 0.033 0.000 0.814 493 A HN 0.430 nan 8.150 nan 0.000 0.444 494 M N 0.172 119.831 119.600 0.099 0.000 2.117 494 M HA -0.122 4.344 4.480 -0.024 0.000 0.262 494 M C 1.622 178.000 176.300 0.129 0.000 1.065 494 M CA 1.251 56.689 55.300 0.230 0.000 1.114 494 M CB -1.540 31.136 32.600 0.127 0.000 1.361 494 M HN 0.413 nan 8.290 nan 0.000 0.408 495 N N 0.454 119.154 118.700 0.000 0.000 2.120 495 N HA -0.090 4.635 4.740 -0.024 0.000 0.188 495 N C 1.936 177.328 175.510 -0.197 0.000 1.024 495 N CA 1.099 54.112 53.050 -0.060 0.000 0.852 495 N CB -0.618 37.866 38.487 -0.005 0.000 1.003 495 N HN 0.170 nan 8.380 nan 0.000 0.424 496 V N 0.991 120.710 119.914 -0.326 0.000 2.261 496 V HA -0.167 3.938 4.120 -0.024 0.000 0.246 496 V C 2.475 178.236 176.094 -0.554 0.000 1.047 496 V CA 2.126 64.171 62.300 -0.426 0.000 1.015 496 V CB -1.291 30.230 31.823 -0.504 0.000 0.642 496 V HN 0.349 nan 8.190 nan 0.000 0.446 497 G N -0.529 107.911 108.800 -0.600 0.000 2.418 497 G HA2 -0.246 3.699 3.960 -0.024 0.000 0.217 497 G HA3 -0.246 3.699 3.960 -0.024 0.000 0.217 497 G C 1.679 175.854 174.900 -1.209 0.000 1.158 497 G CA 0.876 45.242 45.100 -1.223 0.000 0.771 497 G HN 0.467 nan 8.290 nan 0.000 0.545 498 K N 0.456 120.419 120.400 -0.728 0.000 2.026 498 K HA 0.041 4.347 4.320 -0.024 0.000 0.208 498 K C 2.944 179.345 176.600 -0.331 0.000 1.048 498 K CA 1.023 57.083 56.287 -0.378 0.000 0.929 498 K CB -0.227 32.209 32.500 -0.106 0.000 0.713 498 K HN 0.265 nan 8.250 nan 0.000 0.439 499 A N 1.398 124.024 122.820 -0.324 0.000 2.015 499 A HA -0.126 4.179 4.320 -0.024 0.000 0.219 499 A C 1.748 179.139 177.584 -0.321 0.000 1.163 499 A CA 1.149 53.033 52.037 -0.255 0.000 0.646 499 A CB -0.202 18.675 19.000 -0.204 0.000 0.806 499 A HN 0.219 nan 8.150 nan 0.000 0.448 500 R N -1.411 118.767 120.500 -0.536 0.000 2.334 500 R HA 0.249 4.574 4.340 -0.024 0.000 0.216 500 R C 1.019 176.994 176.300 -0.541 0.000 0.905 500 R CA 0.438 56.164 56.100 -0.624 0.000 1.064 500 R CB 0.073 29.764 30.300 -1.016 0.000 1.046 500 R HN 0.601 nan 8.270 nan 0.000 0.508 501 G N 1.274 109.820 108.800 -0.422 0.000 2.198 501 G HA2 -0.261 3.684 3.960 -0.024 0.000 0.260 501 G HA3 -0.261 3.684 3.960 -0.024 0.000 0.260 501 G C 0.401 175.276 174.900 -0.042 0.000 1.025 501 G CA 0.023 45.006 45.100 -0.195 0.000 0.769 501 G HN 0.254 nan 8.290 nan 0.000 0.507 502 F N -0.424 119.298 119.950 -0.381 0.000 2.293 502 F HA 0.352 4.872 4.527 -0.012 0.000 0.297 502 F C 1.448 177.134 175.800 -0.190 0.000 1.089 502 F CA 0.624 58.410 58.000 -0.357 0.000 1.377 502 F CB -0.658 38.032 39.000 -0.516 0.000 1.051 502 F HN 0.441 nan 8.300 nan 0.000 0.511 503 F N -1.171 118.829 119.950 0.084 0.000 2.779 503 F HA 0.595 5.106 4.527 -0.026 0.000 0.316 503 F C -0.887 174.908 175.800 -0.008 0.000 1.164 503 F CA -2.333 55.681 58.000 0.024 0.000 0.924 503 F CB 1.136 40.143 39.000 0.013 0.000 1.348 503 F HN -0.207 nan 8.300 nan 0.000 0.467 504 K N 0.267 120.867 120.400 0.333 0.000 2.495 504 K HA 0.464 4.770 4.320 -0.024 0.000 0.268 504 K C -1.377 175.314 176.600 0.151 0.000 1.008 504 K CA -1.245 55.155 56.287 0.189 0.000 0.882 504 K CB 2.355 34.908 32.500 0.088 0.000 1.443 504 K HN 0.816 nan 8.250 nan 0.000 0.447 505 K N 0.126 120.582 120.400 0.094 0.000 2.511 505 K HA -0.072 4.233 4.320 -0.024 0.000 0.277 505 K C 0.731 177.347 176.600 0.027 0.000 1.025 505 K CA 2.130 58.446 56.287 0.049 0.000 1.112 505 K CB -0.566 31.954 32.500 0.033 0.000 0.859 505 K HN 0.875 nan 8.250 nan 0.000 0.485 506 G N 3.038 111.838 108.800 0.000 0.000 2.258 506 G HA2 -0.227 3.718 3.960 -0.024 0.000 0.233 506 G HA3 -0.227 3.718 3.960 -0.024 0.000 0.233 506 G C -0.273 174.612 174.900 -0.025 0.000 1.006 506 G CA 0.143 45.236 45.100 -0.012 0.000 0.620 506 G HN 0.728 nan 8.290 nan 0.000 0.511 507 D N 0.351 120.738 120.400 -0.022 0.000 2.378 507 D HA 0.446 5.071 4.640 -0.024 0.000 0.238 507 D C 0.684 176.915 176.300 -0.116 0.000 1.180 507 D CA 0.112 54.085 54.000 -0.045 0.000 0.895 507 D CB 1.444 42.242 40.800 -0.004 0.000 1.192 507 D HN 0.230 nan 8.370 nan 0.000 0.438 508 V N 1.154 120.999 119.914 -0.115 0.000 2.472 508 V HA 0.471 4.576 4.120 -0.024 0.000 0.290 508 V C 0.302 176.277 176.094 -0.199 0.000 1.037 508 V CA -0.569 61.648 62.300 -0.139 0.000 0.908 508 V CB 1.593 33.364 31.823 -0.087 0.000 0.985 508 V HN 0.428 nan 8.190 nan 0.000 0.454 509 V N 3.114 122.887 119.914 -0.235 0.000 3.040 509 V HA 0.694 4.799 4.120 -0.024 0.000 0.312 509 V C -0.909 175.087 176.094 -0.163 0.000 1.115 509 V CA -0.933 61.214 62.300 -0.255 0.000 0.998 509 V CB 2.369 33.927 31.823 -0.442 0.000 1.042 509 V HN 0.533 nan 8.190 nan 0.000 0.433 510 I N 2.265 122.757 120.570 -0.130 0.000 2.437 510 I HA 0.670 4.825 4.170 -0.024 0.000 0.298 510 I C -0.232 175.844 176.117 -0.067 0.000 0.984 510 I CA -0.777 60.471 61.300 -0.087 0.000 1.214 510 I CB 1.546 39.498 38.000 -0.080 0.000 1.365 510 I HN 0.540 nan 8.210 nan 0.000 0.469 511 V N 6.651 126.538 119.914 -0.045 0.000 2.525 511 V HA 0.445 4.550 4.120 -0.024 0.000 0.299 511 V C -0.166 175.926 176.094 -0.003 0.000 1.034 511 V CA -0.589 61.695 62.300 -0.026 0.000 0.863 511 V CB 2.227 34.030 31.823 -0.033 0.000 0.999 511 V HN 0.431 nan 8.190 nan 0.000 0.423 512 L N 5.346 126.575 121.223 0.010 0.000 2.296 512 L HA 0.823 5.148 4.340 -0.024 0.000 0.286 512 L C 0.368 177.262 176.870 0.040 0.000 1.023 512 L CA -0.080 54.778 54.840 0.030 0.000 0.812 512 L CB 1.954 44.033 42.059 0.033 0.000 1.223 512 L HN 0.881 nan 8.230 nan 0.000 0.421 513 T N -0.523 114.069 114.554 0.063 0.000 2.804 513 T HA 0.784 5.119 4.350 -0.024 0.000 0.290 513 T C -0.134 174.662 174.700 0.160 0.000 1.099 513 T CA -0.597 61.552 62.100 0.082 0.000 1.011 513 T CB 1.975 70.865 68.868 0.036 0.000 1.291 513 T HN 0.565 nan 8.240 nan 0.000 0.523 514 G N -0.901 108.040 108.800 0.234 0.000 2.820 514 G HA2 0.528 4.474 3.960 -0.024 0.000 0.291 514 G HA3 0.528 4.474 3.960 -0.024 0.000 0.291 514 G C 0.293 175.456 174.900 0.438 0.000 1.323 514 G CA -0.713 44.573 45.100 0.309 0.000 1.055 514 G HN 0.969 nan 8.290 nan 0.000 0.520 515 W N -0.362 121.098 121.300 0.267 0.000 3.114 515 W HA 0.318 4.963 4.660 -0.025 0.000 0.279 515 W C 0.272 176.761 176.519 -0.050 0.000 1.277 515 W CA -0.238 57.209 57.345 0.170 0.000 1.630 515 W CB -0.174 29.326 29.460 0.066 0.000 1.087 515 W HN 0.604 nan 8.180 nan 0.000 0.637 516 R N -0.212 119.794 120.500 -0.823 0.000 2.752 516 R HA 0.583 4.909 4.340 -0.024 0.000 0.271 516 R C -3.244 172.365 176.300 -1.151 0.000 1.026 516 R CA -1.756 53.513 56.100 -1.385 0.000 0.901 516 R CB 0.420 29.761 30.300 -1.599 0.000 1.243 516 R HN -0.401 nan 8.270 nan 0.000 0.463 517 P HA 0.353 nan 4.420 nan 0.000 0.272 517 P C -0.241 176.949 177.300 -0.184 0.000 1.240 517 P CA 0.675 63.463 63.100 -0.520 0.000 0.791 517 P CB 0.673 32.031 31.700 -0.571 0.000 0.978 518 G N -0.194 108.626 108.800 0.032 0.000 2.699 518 G HA2 -0.069 3.876 3.960 -0.024 0.000 0.686 518 G HA3 -0.069 3.876 3.960 -0.024 0.000 0.686 518 G C -0.518 174.453 174.900 0.119 0.000 1.301 518 G CA -0.767 44.397 45.100 0.106 0.000 0.816 518 G HN 0.497 nan 8.290 nan 0.000 0.595 519 S N -0.041 115.644 115.700 -0.026 0.000 2.576 519 S HA 0.567 5.022 4.470 -0.024 0.000 0.276 519 S C 1.446 175.740 174.600 -0.510 0.000 1.339 519 S CA 1.517 59.620 58.200 -0.163 0.000 1.039 519 S CB 1.166 64.286 63.200 -0.133 0.000 0.902 519 S HN 2.574 nan 8.310 nan 0.000 0.516 520 G N 1.165 109.677 108.800 -0.480 0.000 2.163 520 G HA2 -0.196 3.750 3.960 -0.024 0.000 0.213 520 G HA3 -0.196 3.750 3.960 -0.024 0.000 0.213 520 G C 0.090 174.570 174.900 -0.699 0.000 0.991 520 G CA -0.282 44.438 45.100 -0.633 0.000 0.653 520 G HN 0.606 nan 8.290 nan 0.000 0.518 521 F N 1.707 121.631 119.950 -0.044 0.000 2.698 521 F HA 0.350 4.863 4.527 -0.024 0.000 0.304 521 F C 1.237 177.081 175.800 0.072 0.000 1.108 521 F CA -0.255 57.714 58.000 -0.052 0.000 1.263 521 F CB 0.391 39.070 39.000 -0.535 0.000 1.013 521 F HN -0.012 nan 8.300 nan 0.000 0.532 522 T N 3.247 117.904 114.554 0.171 0.000 2.829 522 T HA 0.061 4.397 4.350 -0.024 0.000 0.293 522 T C 1.032 175.862 174.700 0.216 0.000 0.970 522 T CA 0.351 62.555 62.100 0.173 0.000 1.168 522 T CB 0.085 69.007 68.868 0.091 0.000 0.911 522 T HN 0.489 nan 8.240 nan 0.000 0.535 523 N N 0.746 119.594 118.700 0.247 0.000 1.958 523 N HA -0.013 4.712 4.740 -0.024 0.000 0.223 523 N C -0.822 174.789 175.510 0.168 0.000 1.395 523 N CA -0.435 52.748 53.050 0.222 0.000 0.737 523 N CB 0.729 39.403 38.487 0.311 0.000 1.155 523 N HN 0.379 nan 8.380 nan 0.000 0.529 524 T N 1.932 116.578 114.554 0.154 0.000 2.840 524 T HA 0.419 4.754 4.350 -0.024 0.000 0.287 524 T C -0.904 173.841 174.700 0.075 0.000 0.991 524 T CA -0.462 61.707 62.100 0.115 0.000 0.964 524 T CB 1.745 70.694 68.868 0.134 0.000 0.954 524 T HN 0.113 nan 8.240 nan 0.000 0.438 525 M N 3.853 123.484 119.600 0.052 0.000 2.243 525 M HA 0.536 5.001 4.480 -0.024 0.000 0.324 525 M C -1.157 175.152 176.300 0.014 0.000 1.031 525 M CA -0.524 54.793 55.300 0.028 0.000 0.949 525 M CB 1.448 34.062 32.600 0.022 0.000 1.615 525 M HN 0.553 nan 8.290 nan 0.000 0.430 526 R N 2.606 123.106 120.500 -0.000 0.000 2.686 526 R HA 0.685 5.010 4.340 -0.024 0.000 0.286 526 R C -1.347 174.935 176.300 -0.030 0.000 0.969 526 R CA -0.754 55.339 56.100 -0.012 0.000 0.898 526 R CB 2.593 32.885 30.300 -0.014 0.000 1.183 526 R HN 0.519 nan 8.270 nan 0.000 0.456 527 V N 4.467 124.361 119.914 -0.033 0.000 2.311 527 V HA 0.322 4.427 4.120 -0.024 0.000 0.275 527 V C -0.201 175.860 176.094 -0.055 0.000 1.022 527 V CA -0.626 61.644 62.300 -0.049 0.000 0.830 527 V CB 1.165 32.964 31.823 -0.040 0.000 1.012 527 V HN 0.510 nan 8.190 nan 0.000 0.452 528 V N 3.878 123.745 119.914 -0.079 0.000 2.823 528 V HA 0.748 4.853 4.120 -0.024 0.000 0.312 528 V C -2.807 173.222 176.094 -0.108 0.000 1.072 528 V CA -2.893 59.359 62.300 -0.081 0.000 0.937 528 V CB 2.119 33.897 31.823 -0.075 0.000 1.013 528 V HN 0.580 nan 8.190 nan 0.000 0.430 529 P HA 0.317 nan 4.420 nan 0.000 0.278 529 P C -0.386 176.844 177.300 -0.116 0.000 1.238 529 P CA -0.295 62.748 63.100 -0.096 0.000 0.794 529 P CB 0.907 32.573 31.700 -0.058 0.000 0.955 530 V N 5.190 125.017 119.914 -0.144 0.000 2.521 530 V HA 0.132 4.237 4.120 -0.024 0.000 0.286 530 V C -1.436 174.633 176.094 -0.041 0.000 1.034 530 V CA -1.005 61.215 62.300 -0.133 0.000 1.045 530 V CB -0.025 31.708 31.823 -0.151 0.000 0.974 530 V HN 0.648 nan 8.190 nan 0.000 0.480 531 P HA 0.000 nan 4.420 nan 0.000 0.216 531 P CA 0.000 63.100 63.100 0.000 0.000 0.800 531 P CB 0.000 31.703 31.700 0.004 0.000 0.726