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 1f3x_1_G DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARAS PHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.104 176.117 -0.021 0.000 1.063 12 I CA 0.000 61.284 61.300 -0.027 0.000 1.566 12 I CB 0.000 37.989 38.000 -0.019 0.000 1.214 13 Q N 1.350 121.144 119.800 -0.010 0.000 3.217 13 Q HA -0.141 4.200 4.340 0.000 0.000 0.025 13 Q C -0.550 175.461 176.000 0.018 0.000 1.708 13 Q CA 1.436 57.246 55.803 0.011 0.000 0.234 13 Q CB -0.784 27.967 28.738 0.021 0.000 0.989 13 Q HN 0.757 nan 8.270 nan 0.000 0.321 14 T N -1.176 113.396 114.554 0.030 0.000 2.896 14 T HA 0.488 4.838 4.350 0.000 0.000 0.297 14 T C -0.355 174.368 174.700 0.039 0.000 1.108 14 T CA 0.394 62.511 62.100 0.029 0.000 1.004 14 T CB 1.200 70.084 68.868 0.027 0.000 1.159 14 T HN 0.746 nan 8.240 nan 0.000 0.499 15 Q N 3.018 122.840 119.800 0.036 0.000 2.402 15 Q HA -0.267 4.073 4.340 0.000 0.000 0.356 15 Q C -0.271 175.770 176.000 0.068 0.000 1.344 15 Q CA 0.953 56.784 55.803 0.046 0.000 1.062 15 Q CB -1.786 26.976 28.738 0.041 0.000 1.268 15 Q HN 0.796 nan 8.270 nan 0.000 0.383 16 Q N -1.587 118.250 119.800 0.062 0.000 2.411 16 Q HA -0.222 4.118 4.340 0.000 0.000 0.305 16 Q C 0.623 176.683 176.000 0.100 0.000 1.273 16 Q CA 1.569 57.415 55.803 0.072 0.000 0.895 16 Q CB -1.959 26.819 28.738 0.066 0.000 1.198 16 Q HN 0.805 nan 8.270 nan 0.000 0.470 17 L N -1.368 119.911 121.223 0.093 0.000 2.156 17 L HA -0.149 4.191 4.340 0.000 0.000 0.208 17 L C 2.284 179.217 176.870 0.104 0.000 1.095 17 L CA 1.365 56.258 54.840 0.089 0.000 0.770 17 L CB -0.330 41.770 42.059 0.068 0.000 0.914 17 L HN 0.385 nan 8.230 nan 0.000 0.439 18 H N 0.565 119.648 119.070 0.023 0.000 2.321 18 H HA -0.120 4.436 4.556 0.000 0.000 0.300 18 H C 2.090 177.431 175.328 0.021 0.000 1.087 18 H CA 1.632 57.688 56.048 0.013 0.000 1.319 18 H CB 0.096 29.855 29.762 -0.004 0.000 1.379 18 H HN 0.232 nan 8.280 nan 0.000 0.501 19 A N 0.405 123.178 122.820 -0.079 0.000 2.121 19 A HA 0.116 4.437 4.320 0.000 0.000 0.218 19 A C 2.469 180.105 177.584 0.088 0.000 1.154 19 A CA 1.134 53.101 52.037 -0.117 0.000 0.679 19 A CB -0.961 17.931 19.000 -0.180 0.000 0.795 19 A HN 0.611 nan 8.150 nan 0.000 0.458 20 A N -0.773 122.112 122.820 0.109 0.000 2.014 20 A HA -0.008 4.312 4.320 0.000 0.000 0.218 20 A C 1.949 179.605 177.584 0.121 0.000 1.163 20 A CA 1.460 53.593 52.037 0.159 0.000 0.652 20 A CB -0.356 18.716 19.000 0.121 0.000 0.808 20 A HN 0.414 nan 8.150 nan 0.000 0.449 21 M N 0.012 119.628 119.600 0.026 0.000 2.562 21 M HA 0.164 4.644 4.480 0.000 0.000 0.257 21 M C 1.282 177.592 176.300 0.018 0.000 1.099 21 M CA 0.176 55.477 55.300 0.002 0.000 1.099 21 M CB -1.694 30.885 32.600 -0.035 0.000 1.427 21 M HN 0.381 nan 8.290 nan 0.000 0.489 22 A N 2.201 125.028 122.820 0.011 0.000 2.507 22 A HA 0.090 4.411 4.320 0.000 0.000 0.235 22 A C 0.794 178.490 177.584 0.188 0.000 1.070 22 A CA 0.448 52.491 52.037 0.011 0.000 0.768 22 A CB 0.052 18.973 19.000 -0.131 0.000 1.011 22 A HN 0.515 nan 8.150 nan 0.000 0.502 23 D N -0.680 119.803 120.400 0.137 0.000 2.379 23 D HA 0.105 4.745 4.640 0.000 0.000 0.208 23 D C 0.507 176.942 176.300 0.225 0.000 1.065 23 D CA 0.896 54.990 54.000 0.157 0.000 0.848 23 D CB -0.265 40.581 40.800 0.076 0.000 0.949 23 D HN 0.579 nan 8.370 nan 0.000 0.509 24 T N -3.840 110.850 114.554 0.226 0.000 2.906 24 T HA 0.437 4.788 4.350 0.000 0.000 0.295 24 T C 0.316 175.133 174.700 0.194 0.000 1.075 24 T CA -0.800 61.461 62.100 0.268 0.000 1.005 24 T CB 0.941 69.910 68.868 0.167 0.000 1.136 24 T HN -0.240 nan 8.240 nan 0.000 0.498 25 F N 0.296 120.335 119.950 0.148 0.000 2.186 25 F HA 0.087 4.615 4.527 0.000 0.000 0.299 25 F C 2.196 177.963 175.800 -0.056 0.000 1.090 25 F CA 0.688 58.693 58.000 0.009 0.000 1.307 25 F CB -0.505 38.559 39.000 0.106 0.000 1.019 25 F HN 0.483 nan 8.300 nan 0.000 0.489 26 L N 0.471 121.799 121.223 0.175 0.000 2.042 26 L HA -0.216 4.124 4.340 0.000 0.000 0.210 26 L C 2.266 179.131 176.870 -0.009 0.000 1.076 26 L CA 1.979 56.859 54.840 0.068 0.000 0.749 26 L CB -0.853 41.242 42.059 0.060 0.000 0.893 26 L HN 0.106 nan 8.230 nan 0.000 0.432 27 E N -1.512 118.674 120.200 -0.024 0.000 2.107 27 E HA -0.261 4.089 4.350 0.000 0.000 0.191 27 E C 2.231 178.734 176.600 -0.162 0.000 0.982 27 E CA 1.361 57.718 56.400 -0.072 0.000 0.809 27 E CB -0.274 29.398 29.700 -0.048 0.000 0.756 27 E HN 0.712 nan 8.360 nan 0.000 0.459 28 H N -0.247 118.587 119.070 -0.394 0.000 2.319 28 H HA -0.062 4.494 4.556 0.000 0.000 0.299 28 H C 1.919 177.034 175.328 -0.355 0.000 1.092 28 H CA 2.406 58.091 56.048 -0.605 0.000 1.302 28 H CB -0.169 28.767 29.762 -1.377 0.000 1.373 28 H HN 0.179 nan 8.280 nan 0.000 0.497 29 M N -0.862 118.519 119.600 -0.365 0.000 2.067 29 M HA -0.188 4.292 4.480 0.000 0.000 0.260 29 M C 2.457 178.628 176.300 -0.216 0.000 1.069 29 M CA 1.631 56.756 55.300 -0.292 0.000 1.117 29 M CB -0.261 32.274 32.600 -0.109 0.000 1.334 29 M HN 0.393 nan 8.290 nan 0.000 0.407 30 C N 0.023 119.238 119.300 -0.141 0.000 2.400 30 C HA -0.126 4.334 4.460 0.000 0.000 0.291 30 C C 2.343 177.280 174.990 -0.088 0.000 1.372 30 C CA 0.869 59.833 59.018 -0.090 0.000 1.800 30 C CB -1.542 26.165 27.740 -0.055 0.000 1.869 30 C HN 0.438 nan 8.230 nan 0.000 0.533 31 R N -0.351 120.062 120.500 -0.145 0.000 2.362 31 R HA 0.245 4.585 4.340 0.000 0.000 0.227 31 R C 0.110 176.353 176.300 -0.094 0.000 0.905 31 R CA -0.177 55.873 56.100 -0.083 0.000 1.067 31 R CB 0.030 30.242 30.300 -0.147 0.000 1.078 31 R HN 0.471 nan 8.270 nan 0.000 0.516 32 L N 2.285 123.400 121.223 -0.180 0.000 2.534 32 L HA -0.011 4.330 4.340 0.000 0.000 0.271 32 L C -0.041 176.787 176.870 -0.070 0.000 1.178 32 L CA 0.399 55.146 54.840 -0.156 0.000 0.907 32 L CB 0.099 42.047 42.059 -0.184 0.000 1.164 32 L HN -0.072 nan 8.230 nan 0.000 0.482 33 D N 4.031 124.408 120.400 -0.038 0.000 2.425 33 D HA 0.190 4.830 4.640 0.000 0.000 0.240 33 D C 0.916 177.206 176.300 -0.018 0.000 1.080 33 D CA -0.534 53.455 54.000 -0.019 0.000 0.836 33 D CB 1.480 42.280 40.800 -0.001 0.000 1.125 33 D HN 0.475 nan 8.370 nan 0.000 0.525 34 I N -0.121 120.437 120.570 -0.020 0.000 3.241 34 I HA 0.024 4.194 4.170 0.000 0.000 0.280 34 I C 0.072 176.183 176.117 -0.010 0.000 1.320 34 I CA 0.735 62.026 61.300 -0.015 0.000 1.413 34 I CB 0.214 38.204 38.000 -0.016 0.000 1.060 34 I HN 0.021 nan 8.210 nan 0.000 0.500 35 D N 1.084 121.478 120.400 -0.009 0.000 2.402 35 D HA 0.105 4.745 4.640 0.000 0.000 0.216 35 D C 0.407 176.705 176.300 -0.003 0.000 1.128 35 D CA 0.272 54.268 54.000 -0.007 0.000 0.833 35 D CB 0.712 41.505 40.800 -0.011 0.000 0.971 35 D HN 0.193 nan 8.370 nan 0.000 0.503 36 S N 0.987 116.687 115.700 0.001 0.000 2.592 36 S HA 0.475 4.945 4.470 0.000 0.000 0.305 36 S C 0.180 174.787 174.600 0.013 0.000 1.118 36 S CA -0.623 57.583 58.200 0.010 0.000 1.075 36 S CB -0.018 63.193 63.200 0.018 0.000 1.107 36 S HN 0.216 nan 8.310 nan 0.000 0.503 37 A N 7.525 130.353 122.820 0.013 0.000 2.566 37 A HA 0.325 4.646 4.320 0.000 0.000 0.245 37 A C -1.756 175.839 177.584 0.018 0.000 1.056 37 A CA -0.662 51.384 52.037 0.015 0.000 0.757 37 A CB -0.240 18.771 19.000 0.017 0.000 0.979 37 A HN 0.656 nan 8.150 nan 0.000 0.508 38 P HA 0.307 nan 4.420 nan 0.000 0.277 38 P C 0.078 177.386 177.300 0.013 0.000 1.276 38 P CA -0.271 62.837 63.100 0.013 0.000 0.788 38 P CB 0.456 32.156 31.700 -0.000 0.000 1.114 39 I N -3.461 117.111 120.570 0.004 0.000 2.934 39 I HA 0.251 4.422 4.170 0.000 0.000 0.315 39 I C 1.194 177.312 176.117 0.002 0.000 0.997 39 I CA -0.604 60.696 61.300 0.001 0.000 1.184 39 I CB 0.108 38.095 38.000 -0.023 0.000 1.400 39 I HN 0.138 nan 8.210 nan 0.000 0.549 40 T N 2.445 117.017 114.554 0.029 0.000 2.746 40 T HA -0.015 4.335 4.350 0.000 0.000 0.267 40 T C 1.067 175.806 174.700 0.065 0.000 1.039 40 T CA 1.382 63.538 62.100 0.094 0.000 1.142 40 T CB -0.289 68.690 68.868 0.185 0.000 0.866 40 T HN 0.765 nan 8.240 nan 0.000 0.444 41 A N 1.600 124.305 122.820 -0.192 0.000 2.445 41 A HA 0.477 4.797 4.320 0.000 0.000 0.242 41 A C 0.436 177.945 177.584 -0.125 0.000 1.075 41 A CA -0.243 51.547 52.037 -0.412 0.000 0.777 41 A CB 0.163 18.482 19.000 -1.134 0.000 1.013 41 A HN 0.383 nan 8.150 nan 0.000 0.493 42 R N 1.587 122.095 120.500 0.013 0.000 2.494 42 R HA 0.305 4.645 4.340 0.000 0.000 0.305 42 R C -0.514 175.828 176.300 0.070 0.000 0.959 42 R CA -0.712 55.400 56.100 0.020 0.000 0.864 42 R CB 0.784 31.112 30.300 0.047 0.000 1.159 42 R HN 0.869 nan 8.270 nan 0.000 0.446 43 N N 1.057 119.787 118.700 0.049 0.000 2.388 43 N HA 0.008 4.748 4.740 0.000 0.000 0.176 43 N C -0.465 175.098 175.510 0.089 0.000 1.062 43 N CA 0.507 53.607 53.050 0.084 0.000 0.895 43 N CB 0.654 39.189 38.487 0.080 0.000 1.018 43 N HN 0.474 nan 8.380 nan 0.000 0.456 44 T N 0.949 115.541 114.554 0.062 0.000 2.761 44 T HA 0.364 4.714 4.350 0.000 0.000 0.296 44 T C 0.747 175.481 174.700 0.057 0.000 0.934 44 T CA -0.551 61.580 62.100 0.052 0.000 1.091 44 T CB 1.257 70.142 68.868 0.028 0.000 0.896 44 T HN 0.087 nan 8.240 nan 0.000 0.515 45 G N 2.976 111.811 108.800 0.058 0.000 2.406 45 G HA2 0.468 4.428 3.960 0.000 0.000 0.251 45 G HA3 0.468 4.428 3.960 0.000 0.000 0.251 45 G C -0.251 174.658 174.900 0.014 0.000 1.271 45 G CA -0.567 44.560 45.100 0.044 0.000 0.859 45 G HN 0.774 nan 8.290 nan 0.000 0.540 46 I N 2.454 123.018 120.570 -0.009 0.000 2.321 46 I HA 0.274 4.444 4.170 0.000 0.000 0.291 46 I C -0.055 176.055 176.117 -0.011 0.000 0.998 46 I CA -0.415 60.884 61.300 -0.001 0.000 1.227 46 I CB 1.562 39.570 38.000 0.013 0.000 1.368 46 I HN 0.217 nan 8.210 nan 0.000 0.466 47 I N 5.960 126.542 120.570 0.020 0.000 2.330 47 I HA 0.287 4.457 4.170 0.000 0.000 0.289 47 I C -0.540 175.614 176.117 0.062 0.000 1.001 47 I CA -0.367 60.965 61.300 0.054 0.000 1.193 47 I CB 1.163 39.226 38.000 0.105 0.000 1.345 47 I HN 0.534 nan 8.210 nan 0.000 0.461 48 C N 4.309 123.642 119.300 0.055 0.000 2.295 48 C HA 0.358 4.818 4.460 0.000 0.000 0.331 48 C C 0.840 175.880 174.990 0.083 0.000 1.280 48 C CA -0.496 58.558 59.018 0.060 0.000 1.746 48 C CB 0.685 28.449 27.740 0.040 0.000 2.328 48 C HN 0.656 nan 8.230 nan 0.000 0.521 49 T N 5.479 120.091 114.554 0.096 0.000 2.761 49 T HA 0.261 4.612 4.350 0.000 0.000 0.296 49 T C 0.348 175.110 174.700 0.104 0.000 0.934 49 T CA -0.069 62.101 62.100 0.117 0.000 1.091 49 T CB -0.026 68.918 68.868 0.127 0.000 0.896 49 T HN 0.354 nan 8.240 nan 0.000 0.515 50 I N 3.497 124.133 120.570 0.110 0.000 2.428 50 I HA 0.573 4.743 4.170 0.000 0.000 0.289 50 I C 0.980 177.169 176.117 0.119 0.000 1.019 50 I CA -0.036 61.320 61.300 0.095 0.000 1.351 50 I CB 0.654 38.699 38.000 0.076 0.000 1.412 50 I HN 0.774 nan 8.210 nan 0.000 0.513 51 G N 6.767 115.626 108.800 0.098 0.000 2.749 51 G HA2 0.500 4.460 3.960 0.000 0.000 0.300 51 G HA3 0.500 4.460 3.960 0.000 0.000 0.300 51 G C -2.411 172.547 174.900 0.096 0.000 1.352 51 G CA -0.458 44.715 45.100 0.122 0.000 0.789 51 G HN 0.309 nan 8.290 nan 0.000 0.509 52 P HA -0.113 nan 4.420 nan 0.000 0.220 52 P C 1.515 178.837 177.300 0.037 0.000 1.144 52 P CA 1.817 64.963 63.100 0.077 0.000 0.800 52 P CB 0.177 31.912 31.700 0.060 0.000 0.772 53 A N 0.134 122.972 122.820 0.030 0.000 2.123 53 A HA 0.049 4.369 4.320 0.000 0.000 0.214 53 A C 1.678 179.271 177.584 0.015 0.000 1.152 53 A CA 1.288 53.332 52.037 0.012 0.000 0.728 53 A CB -0.496 18.507 19.000 0.006 0.000 0.814 53 A HN 0.363 nan 8.150 nan 0.000 0.464 54 S N -2.102 113.614 115.700 0.027 0.000 3.025 54 S HA 0.308 4.778 4.470 0.000 0.000 0.251 54 S C 0.779 175.391 174.600 0.020 0.000 0.954 54 S CA -0.497 57.718 58.200 0.025 0.000 1.092 54 S CB -0.070 63.151 63.200 0.034 0.000 1.079 54 S HN 0.473 nan 8.310 nan 0.000 0.543 55 R N 1.970 122.476 120.500 0.009 0.000 2.140 55 R HA 0.132 4.472 4.340 0.000 0.000 0.213 55 R C 0.819 177.110 176.300 -0.015 0.000 1.059 55 R CA 0.850 56.940 56.100 -0.017 0.000 1.000 55 R CB -0.071 30.200 30.300 -0.047 0.000 0.910 55 R HN 0.589 nan 8.270 nan 0.000 0.455 56 S N 0.523 116.220 115.700 -0.004 0.000 2.537 56 S HA 0.003 4.473 4.470 0.000 0.000 0.286 56 S C 1.540 176.143 174.600 0.004 0.000 1.299 56 S CA -0.607 57.591 58.200 -0.002 0.000 1.067 56 S CB 1.432 64.632 63.200 0.001 0.000 0.864 56 S HN -0.078 nan 8.310 nan 0.000 0.494 57 V N 2.718 122.632 119.914 0.001 0.000 2.370 57 V HA -0.189 3.932 4.120 0.000 0.000 0.252 57 V C 2.759 178.861 176.094 0.014 0.000 1.068 57 V CA 2.486 64.791 62.300 0.007 0.000 1.061 57 V CB -1.113 30.708 31.823 -0.003 0.000 0.656 57 V HN 0.930 nan 8.190 nan 0.000 0.455 58 E N -0.096 120.109 120.200 0.007 0.000 2.110 58 E HA -0.151 4.199 4.350 0.000 0.000 0.193 58 E C 2.318 178.934 176.600 0.027 0.000 0.988 58 E CA 1.712 58.119 56.400 0.012 0.000 0.804 58 E CB -0.422 29.281 29.700 0.005 0.000 0.745 58 E HN 0.614 nan 8.360 nan 0.000 0.458 59 T N 0.863 115.431 114.554 0.025 0.000 2.857 59 T HA -0.050 4.300 4.350 0.000 0.000 0.266 59 T C 1.551 176.277 174.700 0.043 0.000 1.048 59 T CA 0.408 62.526 62.100 0.030 0.000 1.139 59 T CB -0.041 68.840 68.868 0.021 0.000 0.874 59 T HN 0.050 nan 8.240 nan 0.000 0.455 60 L N 1.473 122.723 121.223 0.046 0.000 2.012 60 L HA -0.072 4.268 4.340 0.000 0.000 0.210 60 L C 2.362 179.293 176.870 0.102 0.000 1.073 60 L CA 1.874 56.750 54.840 0.061 0.000 0.748 60 L CB -1.083 41.011 42.059 0.058 0.000 0.891 60 L HN 0.306 nan 8.230 nan 0.000 0.431 61 K N -0.471 120.005 120.400 0.128 0.000 2.074 61 K HA -0.212 4.108 4.320 0.000 0.000 0.209 61 K C 1.903 178.630 176.600 0.212 0.000 1.048 61 K CA 1.344 57.775 56.287 0.241 0.000 0.926 61 K CB -0.020 32.566 32.500 0.143 0.000 0.713 61 K HN 0.288 nan 8.250 nan 0.000 0.444 62 E N 0.220 120.490 120.200 0.117 0.000 2.152 62 E HA -0.096 4.254 4.350 0.000 0.000 0.192 62 E C 1.996 178.622 176.600 0.043 0.000 0.983 62 E CA 0.821 57.268 56.400 0.078 0.000 0.818 62 E CB -0.060 29.673 29.700 0.056 0.000 0.758 62 E HN 0.299 nan 8.360 nan 0.000 0.467 63 M N 0.227 119.851 119.600 0.042 0.000 2.108 63 M HA -0.134 4.346 4.480 0.000 0.000 0.261 63 M C 2.418 178.707 176.300 -0.019 0.000 1.066 63 M CA 1.220 56.530 55.300 0.016 0.000 1.107 63 M CB -0.822 31.792 32.600 0.024 0.000 1.356 63 M HN 0.094 nan 8.290 nan 0.000 0.406 64 I N -0.119 120.440 120.570 -0.018 0.000 2.202 64 I HA -0.296 3.874 4.170 0.000 0.000 0.242 64 I C 2.333 178.348 176.117 -0.169 0.000 1.091 64 I CA 1.183 62.416 61.300 -0.111 0.000 1.368 64 I CB -0.451 37.468 38.000 -0.135 0.000 1.058 64 I HN 0.300 nan 8.210 nan 0.000 0.410 65 K N 0.429 120.754 120.400 -0.125 0.000 2.209 65 K HA -0.092 4.228 4.320 0.000 0.000 0.204 65 K C 2.151 178.681 176.600 -0.116 0.000 1.048 65 K CA 1.309 57.520 56.287 -0.127 0.000 0.940 65 K CB -0.180 32.303 32.500 -0.029 0.000 0.729 65 K HN 0.173 nan 8.250 nan 0.000 0.451 66 S N -0.817 114.831 115.700 -0.087 0.000 2.489 66 S HA 0.032 4.502 4.470 0.000 0.000 0.228 66 S C 1.331 175.844 174.600 -0.146 0.000 0.995 66 S CA 0.944 59.084 58.200 -0.100 0.000 0.934 66 S CB 0.527 63.705 63.200 -0.038 0.000 0.771 66 S HN 0.652 nan 8.310 nan 0.000 0.522 67 G N 0.557 109.281 108.800 -0.127 0.000 3.033 67 G HA2 -0.142 3.818 3.960 0.000 0.000 0.208 67 G HA3 -0.142 3.818 3.960 0.000 0.000 0.208 67 G C 0.208 175.056 174.900 -0.085 0.000 1.006 67 G CA -0.205 44.835 45.100 -0.100 0.000 0.808 67 G HN 0.361 nan 8.290 nan 0.000 0.499 68 M N 1.658 121.210 119.600 -0.080 0.000 2.255 68 M HA 0.135 4.615 4.480 0.000 0.000 0.356 68 M C 0.845 177.034 176.300 -0.185 0.000 1.338 68 M CA 1.375 56.620 55.300 -0.091 0.000 0.962 68 M CB 0.138 32.705 32.600 -0.056 0.000 1.877 68 M HN 0.333 nan 8.290 nan 0.000 0.463 69 N N 2.666 121.225 118.700 -0.236 0.000 2.460 69 N HA 0.200 4.940 4.740 0.000 0.000 0.193 69 N C -1.066 174.236 175.510 -0.347 0.000 1.080 69 N CA -0.177 52.568 53.050 -0.508 0.000 0.869 69 N CB 0.958 39.041 38.487 -0.672 0.000 1.201 69 N HN 0.433 nan 8.380 nan 0.000 0.457 70 V N 0.948 120.777 119.914 -0.140 0.000 2.531 70 V HA 0.706 4.826 4.120 0.000 0.000 0.301 70 V C -0.900 175.199 176.094 0.009 0.000 1.034 70 V CA -1.203 61.081 62.300 -0.027 0.000 0.865 70 V CB 1.538 33.397 31.823 0.060 0.000 0.995 70 V HN 0.116 nan 8.190 nan 0.000 0.424 71 A N 4.910 127.737 122.820 0.012 0.000 2.252 71 A HA 0.717 5.037 4.320 0.000 0.000 0.309 71 A C 0.050 177.654 177.584 0.033 0.000 1.285 71 A CA -0.511 51.545 52.037 0.031 0.000 0.900 71 A CB 0.353 19.371 19.000 0.030 0.000 1.157 71 A HN 0.869 nan 8.150 nan 0.000 0.536 72 R N 3.868 124.409 120.500 0.069 0.000 2.255 72 R HA 0.504 4.844 4.340 0.000 0.000 0.326 72 R C -1.021 175.346 176.300 0.112 0.000 0.986 72 R CA -0.604 55.536 56.100 0.067 0.000 0.847 72 R CB 0.549 30.956 30.300 0.178 0.000 1.111 72 R HN 0.606 nan 8.270 nan 0.000 0.452 73 M N 3.825 123.493 119.600 0.113 0.000 2.088 73 M HA 0.183 4.664 4.480 0.000 0.000 0.346 73 M C -0.341 176.098 176.300 0.232 0.000 1.111 73 M CA -0.934 54.493 55.300 0.213 0.000 1.017 73 M CB 0.692 33.467 32.600 0.292 0.000 1.568 73 M HN 0.460 nan 8.290 nan 0.000 0.445 74 N N 3.101 121.954 118.700 0.254 0.000 2.482 74 N HA 0.149 4.889 4.740 0.000 0.000 0.242 74 N C -0.393 175.254 175.510 0.228 0.000 1.100 74 N CA -0.185 53.018 53.050 0.255 0.000 0.946 74 N CB 0.102 38.740 38.487 0.252 0.000 1.227 74 N HN 0.360 nan 8.380 nan 0.000 0.508 75 F N 1.307 121.217 119.950 -0.067 0.000 2.772 75 F HA 0.056 4.583 4.527 0.000 0.000 0.302 75 F C 2.100 177.923 175.800 0.038 0.000 1.225 75 F CA 0.165 58.131 58.000 -0.056 0.000 1.429 75 F CB -0.268 38.663 39.000 -0.114 0.000 1.104 75 F HN 0.435 nan 8.300 nan 0.000 0.550 76 S N -1.667 114.099 115.700 0.110 0.000 2.489 76 S HA -0.020 4.450 4.470 0.000 0.000 0.228 76 S C 0.210 174.551 174.600 -0.432 0.000 0.995 76 S CA 0.632 58.748 58.200 -0.141 0.000 0.934 76 S CB -0.244 62.833 63.200 -0.206 0.000 0.771 76 S HN 0.430 nan 8.310 nan 0.000 0.522 77 H N -1.605 117.545 119.070 0.134 0.000 2.977 77 H HA 0.586 5.142 4.556 0.000 0.000 0.350 77 H C 0.181 175.526 175.328 0.029 0.000 1.238 77 H CA -0.254 55.825 56.048 0.053 0.000 1.124 77 H CB 1.267 31.032 29.762 0.005 0.000 1.866 77 H HN 0.195 nan 8.280 nan 0.000 0.550 78 G N 0.477 109.262 108.800 -0.024 0.000 2.716 78 G HA2 -0.045 3.915 3.960 0.000 0.000 0.686 78 G HA3 -0.045 3.915 3.960 0.000 0.000 0.686 78 G C -0.002 174.822 174.900 -0.127 0.000 1.337 78 G CA -0.403 44.521 45.100 -0.293 0.000 0.829 78 G HN 0.889 nan 8.290 nan 0.000 0.599 79 T N -1.721 112.757 114.554 -0.126 0.000 2.881 79 T HA 0.578 4.928 4.350 0.000 0.000 0.278 79 T C 1.334 176.064 174.700 0.049 0.000 0.982 79 T CA 0.472 62.553 62.100 -0.031 0.000 0.989 79 T CB 1.355 70.200 68.868 -0.039 0.000 1.058 79 T HN 0.684 nan 8.240 nan 0.000 0.529 80 H N 0.309 119.286 119.070 -0.156 0.000 2.319 80 H HA -0.121 4.435 4.556 0.000 0.000 0.299 80 H C 2.360 177.610 175.328 -0.130 0.000 1.092 80 H CA 1.816 57.643 56.048 -0.368 0.000 1.302 80 H CB 0.208 29.596 29.762 -0.623 0.000 1.373 80 H HN 0.913 nan 8.280 nan 0.000 0.497 81 E N 0.545 120.810 120.200 0.108 0.000 2.160 81 E HA -0.259 4.091 4.350 0.000 0.000 0.195 81 E C 1.916 178.573 176.600 0.095 0.000 0.991 81 E CA 1.221 57.695 56.400 0.124 0.000 0.810 81 E CB -0.529 29.228 29.700 0.095 0.000 0.742 81 E HN 0.518 nan 8.360 nan 0.000 0.466 82 Y N 2.016 122.269 120.300 -0.079 0.000 2.036 82 Y HA -0.280 4.270 4.550 0.000 0.000 0.273 82 Y C 2.396 178.203 175.900 -0.156 0.000 1.135 82 Y CA 2.351 60.347 58.100 -0.173 0.000 1.106 82 Y CB -0.541 37.714 38.460 -0.342 0.000 0.976 82 Y HN 0.120 nan 8.280 nan 0.000 0.483 83 H N -0.335 118.709 119.070 -0.043 0.000 2.457 83 H HA -0.119 4.437 4.556 0.000 0.000 0.297 83 H C 2.225 177.612 175.328 0.099 0.000 1.092 83 H CA 1.168 57.172 56.048 -0.073 0.000 1.309 83 H CB -0.673 28.971 29.762 -0.196 0.000 1.382 83 H HN 0.530 nan 8.280 nan 0.000 0.535 84 A N 0.824 123.821 122.820 0.294 0.000 1.898 84 A HA -0.144 4.176 4.320 0.000 0.000 0.216 84 A C 2.400 180.051 177.584 0.111 0.000 1.181 84 A CA 1.327 53.551 52.037 0.313 0.000 0.620 84 A CB -0.278 18.952 19.000 0.384 0.000 0.819 84 A HN 0.391 nan 8.150 nan 0.000 0.442 85 E N -0.936 119.273 120.200 0.015 0.000 2.051 85 E HA -0.182 4.169 4.350 0.000 0.000 0.192 85 E C 2.200 178.753 176.600 -0.079 0.000 0.991 85 E CA 1.636 58.009 56.400 -0.044 0.000 0.799 85 E CB -0.181 29.464 29.700 -0.092 0.000 0.748 85 E HN 0.618 nan 8.360 nan 0.000 0.449 86 T N 0.276 114.730 114.554 -0.165 0.000 2.788 86 T HA -0.126 4.224 4.350 0.000 0.000 0.268 86 T C 1.951 176.642 174.700 -0.016 0.000 1.044 86 T CA 1.153 63.175 62.100 -0.131 0.000 1.139 86 T CB -0.242 68.493 68.868 -0.221 0.000 0.867 86 T HN 0.140 nan 8.240 nan 0.000 0.454 87 I N 0.640 121.234 120.570 0.039 0.000 2.226 87 I HA -0.114 4.056 4.170 0.000 0.000 0.245 87 I C 2.773 178.912 176.117 0.037 0.000 1.100 87 I CA 1.542 62.879 61.300 0.061 0.000 1.374 87 I CB -0.386 37.669 38.000 0.092 0.000 1.057 87 I HN 0.327 nan 8.210 nan 0.000 0.413 88 K N 1.085 121.502 120.400 0.029 0.000 2.057 88 K HA -0.209 4.111 4.320 0.000 0.000 0.207 88 K C 1.837 178.448 176.600 0.018 0.000 1.049 88 K CA 1.644 57.944 56.287 0.022 0.000 0.931 88 K CB -0.039 32.471 32.500 0.018 0.000 0.714 88 K HN 0.295 nan 8.250 nan 0.000 0.440 89 N N 0.990 119.693 118.700 0.005 0.000 2.142 89 N HA -0.150 4.591 4.740 0.000 0.000 0.186 89 N C 1.963 177.489 175.510 0.026 0.000 1.023 89 N CA 1.626 54.681 53.050 0.007 0.000 0.852 89 N CB -0.533 37.947 38.487 -0.011 0.000 0.998 89 N HN 0.292 nan 8.380 nan 0.000 0.424 90 V N -0.085 119.849 119.914 0.032 0.000 2.407 90 V HA -0.136 3.984 4.120 0.000 0.000 0.248 90 V C 2.190 178.326 176.094 0.070 0.000 1.055 90 V CA 1.355 63.685 62.300 0.050 0.000 1.049 90 V CB -0.543 31.307 31.823 0.044 0.000 0.662 90 V HN 0.120 nan 8.190 nan 0.000 0.455 91 R N 0.275 120.813 120.500 0.063 0.000 2.092 91 R HA -0.075 4.266 4.340 0.000 0.000 0.231 91 R C 2.512 178.863 176.300 0.086 0.000 1.119 91 R CA 1.928 58.077 56.100 0.081 0.000 0.970 91 R CB -0.883 29.453 30.300 0.061 0.000 0.864 91 R HN 0.603 nan 8.270 nan 0.000 0.440 92 T N 0.994 115.581 114.554 0.056 0.000 2.708 92 T HA -0.127 4.224 4.350 0.000 0.000 0.266 92 T C 1.957 176.682 174.700 0.041 0.000 1.037 92 T CA 1.482 63.605 62.100 0.037 0.000 1.146 92 T CB -0.218 68.659 68.868 0.015 0.000 0.865 92 T HN 0.373 nan 8.240 nan 0.000 0.435 93 A N 1.176 124.031 122.820 0.059 0.000 1.933 93 A HA -0.112 4.208 4.320 0.000 0.000 0.218 93 A C 2.537 180.244 177.584 0.205 0.000 1.175 93 A CA 2.034 54.119 52.037 0.080 0.000 0.628 93 A CB -1.180 17.886 19.000 0.110 0.000 0.814 93 A HN 0.480 nan 8.150 nan 0.000 0.444 94 T N 0.197 114.892 114.554 0.236 0.000 2.674 94 T HA -0.106 4.244 4.350 0.000 0.000 0.265 94 T C 1.711 176.694 174.700 0.471 0.000 1.039 94 T CA 1.492 63.804 62.100 0.353 0.000 1.150 94 T CB -0.271 68.734 68.868 0.229 0.000 0.864 94 T HN 0.465 nan 8.240 nan 0.000 0.427 95 E N 1.811 122.191 120.200 0.300 0.000 2.333 95 E HA -0.063 4.287 4.350 0.000 0.000 0.198 95 E C 2.432 179.100 176.600 0.114 0.000 1.007 95 E CA 0.871 57.413 56.400 0.236 0.000 0.845 95 E CB -0.649 29.122 29.700 0.117 0.000 0.766 95 E HN 0.671 nan 8.360 nan 0.000 0.507 96 S N -0.332 115.351 115.700 -0.029 0.000 2.493 96 S HA -0.101 4.369 4.470 0.000 0.000 0.243 96 S C 1.515 175.911 174.600 -0.340 0.000 0.991 96 S CA 0.624 58.672 58.200 -0.253 0.000 0.957 96 S CB -0.390 62.542 63.200 -0.446 0.000 0.756 96 S HN 0.145 nan 8.310 nan 0.000 0.521 97 F N 1.110 121.148 119.950 0.146 0.000 2.653 97 F HA 0.540 5.067 4.527 0.000 0.000 0.288 97 F C 2.555 178.496 175.800 0.235 0.000 1.121 97 F CA -0.312 57.802 58.000 0.189 0.000 1.384 97 F CB -0.827 38.301 39.000 0.213 0.000 1.115 97 F HN 0.218 nan 8.300 nan 0.000 0.599 98 A N 0.690 123.721 122.820 0.352 0.000 2.009 98 A HA -0.313 4.007 4.320 0.000 0.000 0.222 98 A C 2.364 179.915 177.584 -0.055 0.000 1.175 98 A CA 2.393 54.361 52.037 -0.116 0.000 0.651 98 A CB -1.285 17.575 19.000 -0.235 0.000 0.815 98 A HN 0.444 nan 8.150 nan 0.000 0.459 99 S N -0.515 115.203 115.700 0.029 0.000 2.387 99 S HA -0.170 4.301 4.470 0.000 0.000 0.230 99 S C 0.860 175.482 174.600 0.036 0.000 1.035 99 S CA 1.168 59.379 58.200 0.018 0.000 1.014 99 S CB -0.407 62.805 63.200 0.021 0.000 0.836 99 S HN 0.620 nan 8.310 nan 0.000 0.466 100 D N 2.247 122.702 120.400 0.090 0.000 2.373 100 D HA 0.355 4.996 4.640 0.000 0.000 0.227 100 D C -2.150 174.215 176.300 0.107 0.000 1.091 100 D CA -2.447 51.607 54.000 0.090 0.000 0.840 100 D CB 1.735 42.602 40.800 0.112 0.000 1.060 100 D HN -0.020 nan 8.370 nan 0.000 0.502 101 P HA -0.002 nan 4.420 nan 0.000 0.220 101 P C 1.435 178.793 177.300 0.095 0.000 1.148 101 P CA 0.730 63.867 63.100 0.062 0.000 0.803 101 P CB 0.470 32.183 31.700 0.021 0.000 0.782 102 I N -1.699 118.911 120.570 0.068 0.000 2.400 102 I HA -0.093 4.077 4.170 0.000 0.000 0.248 102 I C 1.589 177.735 176.117 0.048 0.000 1.109 102 I CA 0.898 62.220 61.300 0.037 0.000 1.425 102 I CB -0.305 37.692 38.000 -0.005 0.000 1.094 102 I HN -0.116 nan 8.210 nan 0.000 0.425 103 L N 0.031 121.300 121.223 0.078 0.000 2.592 103 L HA 0.071 4.412 4.340 0.000 0.000 0.227 103 L C 0.380 177.314 176.870 0.108 0.000 1.127 103 L CA 0.327 55.209 54.840 0.069 0.000 0.884 103 L CB -1.129 40.971 42.059 0.069 0.000 1.065 103 L HN 0.196 nan 8.230 nan 0.000 0.457 104 Y N 1.770 122.100 120.300 0.049 0.000 2.465 104 Y HA 0.254 4.804 4.550 0.000 0.000 0.331 104 Y C 0.173 176.084 175.900 0.019 0.000 1.102 104 Y CA -0.437 57.695 58.100 0.054 0.000 1.358 104 Y CB 0.354 38.861 38.460 0.079 0.000 1.213 104 Y HN -0.018 nan 8.280 nan 0.000 0.525 105 R N 7.792 127.902 120.500 -0.649 0.000 2.288 105 R HA 0.400 4.740 4.340 0.000 0.000 0.326 105 R C -2.669 173.178 176.300 -0.754 0.000 0.959 105 R CA -2.088 53.676 56.100 -0.560 0.000 0.834 105 R CB 0.687 30.748 30.300 -0.398 0.000 1.157 105 R HN 0.502 nan 8.270 nan 0.000 0.470 106 P HA 0.062 nan 4.420 nan 0.000 0.269 106 P C -0.791 176.502 177.300 -0.011 0.000 1.215 106 P CA -0.203 62.744 63.100 -0.256 0.000 0.780 106 P CB 0.768 32.441 31.700 -0.045 0.000 0.898 107 V N 1.404 121.332 119.914 0.025 0.000 2.760 107 V HA 0.647 4.767 4.120 0.000 0.000 0.309 107 V C -0.018 176.123 176.094 0.078 0.000 1.077 107 V CA -0.792 61.514 62.300 0.010 0.000 0.910 107 V CB 1.883 33.683 31.823 -0.039 0.000 1.008 107 V HN 0.677 nan 8.190 nan 0.000 0.424 108 A N 3.858 126.728 122.820 0.084 0.000 2.282 108 A HA 0.904 5.224 4.320 0.000 0.000 0.319 108 A C -0.731 176.872 177.584 0.031 0.000 1.121 108 A CA -0.569 51.519 52.037 0.085 0.000 0.836 108 A CB 1.498 20.575 19.000 0.128 0.000 1.146 108 A HN 0.738 nan 8.150 nan 0.000 0.494 109 V N 0.896 120.815 119.914 0.009 0.000 2.409 109 V HA 0.643 4.763 4.120 0.000 0.000 0.291 109 V C 0.389 176.423 176.094 -0.100 0.000 1.020 109 V CA -0.189 62.096 62.300 -0.025 0.000 0.848 109 V CB 1.019 32.836 31.823 -0.011 0.000 0.990 109 V HN 1.195 nan 8.190 nan 0.000 0.430 110 A N 4.966 127.680 122.820 -0.176 0.000 2.337 110 A HA 0.932 5.252 4.320 0.000 0.000 0.331 110 A C -1.171 176.172 177.584 -0.402 0.000 1.137 110 A CA -0.599 51.171 52.037 -0.445 0.000 0.807 110 A CB 1.550 20.061 19.000 -0.815 0.000 1.250 110 A HN 0.840 nan 8.150 nan 0.000 0.468 111 L N 1.658 122.580 121.223 -0.501 0.000 2.342 111 L HA 0.479 4.819 4.340 0.000 0.000 0.276 111 L C -1.123 175.568 176.870 -0.298 0.000 0.997 111 L CA -0.453 54.182 54.840 -0.341 0.000 0.838 111 L CB 1.386 43.208 42.059 -0.395 0.000 1.224 111 L HN 0.666 nan 8.230 nan 0.000 0.416 112 D N 3.785 124.134 120.400 -0.085 0.000 2.396 112 D HA 0.181 4.821 4.640 0.000 0.000 0.225 112 D C -0.416 175.939 176.300 0.092 0.000 1.121 112 D CA -0.043 54.006 54.000 0.082 0.000 0.853 112 D CB 1.053 41.982 40.800 0.215 0.000 1.043 112 D HN 0.630 nan 8.370 nan 0.000 0.500 113 T N 2.963 117.549 114.554 0.054 0.000 2.908 113 T HA -0.073 4.278 4.350 0.000 0.000 0.325 113 T C 1.472 176.252 174.700 0.134 0.000 1.092 113 T CA 0.200 62.338 62.100 0.063 0.000 1.125 113 T CB 1.371 70.273 68.868 0.058 0.000 1.016 113 T HN 0.438 nan 8.240 nan 0.000 0.550 114 K N 1.474 121.959 120.400 0.141 0.000 2.098 114 K HA 0.128 4.449 4.320 0.000 0.000 0.203 114 K C 1.232 177.932 176.600 0.167 0.000 1.051 114 K CA 0.953 57.323 56.287 0.139 0.000 0.957 114 K CB -0.571 31.992 32.500 0.104 0.000 0.738 114 K HN 0.916 nan 8.250 nan 0.000 0.447 115 G N 0.790 109.673 108.800 0.139 0.000 2.749 115 G HA2 -0.225 3.736 3.960 0.000 0.000 0.242 115 G HA3 -0.225 3.736 3.960 0.000 0.000 0.242 115 G C -2.320 172.590 174.900 0.016 0.000 1.364 115 G CA -0.223 44.963 45.100 0.142 0.000 0.888 115 G HN 0.270 nan 8.290 nan 0.000 0.566 116 P HA 0.188 nan 4.420 nan 0.000 0.238 116 P C 0.119 177.112 177.300 -0.511 0.000 1.649 116 P CA 0.618 63.536 63.100 -0.303 0.000 0.960 116 P CB -0.266 31.238 31.700 -0.325 0.000 1.911 117 E N 0.758 120.769 120.200 -0.315 0.000 2.319 117 E HA 0.379 4.729 4.350 0.000 0.000 0.268 117 E C 0.086 176.559 176.600 -0.212 0.000 1.050 117 E CA -0.689 55.545 56.400 -0.277 0.000 0.878 117 E CB 1.094 30.742 29.700 -0.087 0.000 1.066 117 E HN 0.237 nan 8.360 nan 0.000 0.406 118 I N 2.309 122.773 120.570 -0.178 0.000 2.389 118 I HA 0.316 4.487 4.170 0.000 0.000 0.288 118 I C 0.780 176.878 176.117 -0.033 0.000 0.999 118 I CA -0.354 60.878 61.300 -0.113 0.000 1.129 118 I CB 1.406 39.333 38.000 -0.122 0.000 1.288 118 I HN 0.418 nan 8.210 nan 0.000 0.444 119 R N 2.686 123.182 120.500 -0.006 0.000 2.531 119 R HA 0.153 4.493 4.340 0.000 0.000 0.316 119 R C -0.251 176.123 176.300 0.123 0.000 0.955 119 R CA 0.234 56.374 56.100 0.067 0.000 1.120 119 R CB 0.922 31.288 30.300 0.111 0.000 1.361 119 R HN 0.953 nan 8.270 nan 0.000 0.534 120 T N -2.855 111.747 114.554 0.080 0.000 0.541 120 T HA -0.183 4.167 4.350 0.000 0.000 0.774 120 T C 0.461 175.440 174.700 0.465 0.000 0.992 120 T CA 0.354 62.589 62.100 0.224 0.000 4.077 120 T CB -0.519 68.450 68.868 0.168 0.000 2.303 120 T HN 0.307 nan 8.240 nan 0.000 0.398 121 G N 2.232 111.428 108.800 0.660 0.000 2.574 121 G HA2 0.629 4.589 3.960 0.000 0.000 0.248 121 G HA3 0.629 4.589 3.960 0.000 0.000 0.248 121 G C -0.197 174.812 174.900 0.182 0.000 1.422 121 G CA -0.977 44.355 45.100 0.387 0.000 1.051 121 G HN 0.904 nan 8.290 nan 0.000 0.560 122 L N 0.534 121.798 121.223 0.067 0.000 2.334 122 L HA 0.424 4.764 4.340 0.000 0.000 0.277 122 L C 0.699 177.600 176.870 0.053 0.000 1.075 122 L CA -0.607 54.262 54.840 0.048 0.000 0.804 122 L CB 0.967 43.026 42.059 0.001 0.000 1.174 122 L HN 0.330 nan 8.230 nan 0.000 0.438 123 I N 2.473 123.080 120.570 0.062 0.000 2.754 123 I HA -0.023 4.148 4.170 0.000 0.000 0.285 123 I C 0.994 177.136 176.117 0.041 0.000 1.166 123 I CA -0.361 60.977 61.300 0.064 0.000 1.417 123 I CB 0.355 38.395 38.000 0.067 0.000 1.382 123 I HN 0.632 nan 8.210 nan 0.000 0.588 124 K N 4.702 125.129 120.400 0.046 0.000 2.453 124 K HA 0.060 4.380 4.320 0.000 0.000 0.280 124 K C 1.021 177.632 176.600 0.018 0.000 1.045 124 K CA 0.130 56.433 56.287 0.026 0.000 1.059 124 K CB 0.302 32.825 32.500 0.037 0.000 0.901 124 K HN 0.825 nan 8.250 nan 0.000 0.475 125 G N 2.957 111.759 108.800 0.003 0.000 2.469 125 G HA2 -0.245 3.715 3.960 0.000 0.000 0.219 125 G HA3 -0.245 3.715 3.960 0.000 0.000 0.219 125 G C 0.377 175.281 174.900 0.006 0.000 1.150 125 G CA 0.234 45.336 45.100 0.002 0.000 0.763 125 G HN 0.673 nan 8.290 nan 0.000 0.561 126 S N 1.381 117.083 115.700 0.004 0.000 3.806 126 S HA 0.473 4.943 4.470 0.000 0.000 0.218 126 S C 0.568 175.177 174.600 0.016 0.000 1.146 126 S CA 0.409 58.613 58.200 0.006 0.000 1.030 126 S CB -0.794 62.407 63.200 0.001 0.000 1.617 126 S HN 1.041 nan 8.310 nan 0.000 0.487 127 G N 0.666 109.477 108.800 0.018 0.000 2.353 127 G HA2 0.220 4.180 3.960 0.000 0.000 0.308 127 G HA3 0.220 4.180 3.960 0.000 0.000 0.308 127 G C -0.409 174.510 174.900 0.032 0.000 1.418 127 G CA -0.621 44.495 45.100 0.027 0.000 0.966 127 G HN 0.326 nan 8.290 nan 0.000 0.638 128 T N -0.312 114.265 114.554 0.040 0.000 2.785 128 T HA 0.272 4.622 4.350 0.000 0.000 0.339 128 T C 2.070 176.798 174.700 0.047 0.000 1.047 128 T CA 1.587 63.715 62.100 0.047 0.000 1.135 128 T CB 0.071 68.982 68.868 0.072 0.000 1.085 128 T HN 2.124 nan 8.240 nan 0.000 0.510 129 A N 3.841 126.684 122.820 0.037 0.000 1.883 129 A HA 0.048 4.368 4.320 0.000 0.000 0.217 129 A C 0.980 178.597 177.584 0.055 0.000 1.186 129 A CA 1.593 53.648 52.037 0.030 0.000 0.624 129 A CB -0.293 18.711 19.000 0.007 0.000 0.822 129 A HN 0.896 nan 8.150 nan 0.000 0.444 130 E N -1.668 118.585 120.200 0.088 0.000 2.317 130 E HA 0.541 4.892 4.350 0.000 0.000 0.270 130 E C -1.523 175.210 176.600 0.220 0.000 0.885 130 E CA -0.796 55.696 56.400 0.153 0.000 0.760 130 E CB 2.590 32.399 29.700 0.182 0.000 1.227 130 E HN 0.035 nan 8.360 nan 0.000 0.434 131 V N 1.817 121.838 119.914 0.178 0.000 2.644 131 V HA 0.179 4.299 4.120 0.000 0.000 0.295 131 V C -0.115 176.015 176.094 0.059 0.000 1.053 131 V CA -0.219 62.151 62.300 0.118 0.000 0.987 131 V CB 1.489 33.353 31.823 0.069 0.000 1.006 131 V HN 0.674 nan 8.190 nan 0.000 0.472 132 E N 4.155 124.297 120.200 -0.097 0.000 2.114 132 E HA 0.333 4.683 4.350 0.000 0.000 0.266 132 E C -1.508 174.931 176.600 -0.269 0.000 0.896 132 E CA -0.778 55.358 56.400 -0.440 0.000 0.750 132 E CB 1.091 30.334 29.700 -0.761 0.000 1.121 132 E HN 0.402 nan 8.360 nan 0.000 0.413 133 L N 5.091 126.175 121.223 -0.232 0.000 2.268 133 L HA 0.323 4.664 4.340 0.000 0.000 0.289 133 L C 0.156 176.928 176.870 -0.163 0.000 1.064 133 L CA 0.031 54.786 54.840 -0.141 0.000 0.824 133 L CB 0.387 42.393 42.059 -0.088 0.000 1.202 133 L HN 0.538 nan 8.230 nan 0.000 0.433 134 K N 2.664 122.982 120.400 -0.137 0.000 2.174 134 K HA 0.233 4.553 4.320 0.000 0.000 0.275 134 K C 0.361 176.916 176.600 -0.076 0.000 1.015 134 K CA -0.951 55.266 56.287 -0.116 0.000 0.933 134 K CB 1.590 34.032 32.500 -0.097 0.000 1.025 134 K HN 0.215 nan 8.250 nan 0.000 0.463 135 K N 1.143 121.506 120.400 -0.063 0.000 2.550 135 K HA -0.118 4.202 4.320 0.000 0.000 0.280 135 K C 0.612 177.189 176.600 -0.039 0.000 0.987 135 K CA 1.401 57.660 56.287 -0.046 0.000 1.048 135 K CB 0.054 32.534 32.500 -0.033 0.000 0.879 135 K HN 0.876 nan 8.250 nan 0.000 0.491 136 G N 1.648 110.426 108.800 -0.037 0.000 2.221 136 G HA2 -0.227 3.734 3.960 0.000 0.000 0.265 136 G HA3 -0.227 3.734 3.960 0.000 0.000 0.265 136 G C -0.014 174.868 174.900 -0.030 0.000 1.041 136 G CA 0.549 45.631 45.100 -0.030 0.000 0.807 136 G HN 0.870 nan 8.290 nan 0.000 0.502 137 A N -0.899 121.900 122.820 -0.036 0.000 2.356 137 A HA 0.924 5.244 4.320 0.000 0.000 0.323 137 A C 0.392 177.958 177.584 -0.030 0.000 1.119 137 A CA 0.299 52.316 52.037 -0.033 0.000 0.790 137 A CB 1.350 20.324 19.000 -0.043 0.000 1.273 137 A HN 0.613 nan 8.150 nan 0.000 0.452 138 T N 0.800 115.340 114.554 -0.023 0.000 2.899 138 T HA 0.554 4.904 4.350 0.000 0.000 0.284 138 T C -0.886 173.803 174.700 -0.018 0.000 1.004 138 T CA 0.185 62.275 62.100 -0.018 0.000 1.043 138 T CB 0.675 69.538 68.868 -0.009 0.000 1.013 138 T HN 0.768 nan 8.240 nan 0.000 0.518 139 L N 2.408 123.623 121.223 -0.014 0.000 2.565 139 L HA 0.546 4.886 4.340 0.000 0.000 0.261 139 L C -1.155 175.716 176.870 0.000 0.000 0.932 139 L CA -0.640 54.193 54.840 -0.012 0.000 0.878 139 L CB 1.906 43.954 42.059 -0.017 0.000 1.333 139 L HN 0.557 nan 8.230 nan 0.000 0.409 140 K N 5.520 125.920 120.400 -0.000 0.000 2.265 140 K HA 0.658 4.978 4.320 0.000 0.000 0.267 140 K C -1.215 175.393 176.600 0.013 0.000 0.994 140 K CA -0.448 55.854 56.287 0.025 0.000 0.860 140 K CB 0.839 33.339 32.500 -0.000 0.000 1.099 140 K HN 0.702 nan 8.250 nan 0.000 0.448 141 I N 4.728 125.319 120.570 0.035 0.000 2.315 141 I HA 0.191 4.361 4.170 0.000 0.000 0.291 141 I C 0.364 176.501 176.117 0.033 0.000 1.006 141 I CA -0.473 60.835 61.300 0.012 0.000 1.265 141 I CB 1.438 39.429 38.000 -0.015 0.000 1.387 141 I HN 0.738 nan 8.210 nan 0.000 0.475 142 T N 3.144 117.706 114.554 0.013 0.000 2.907 142 T HA 0.656 5.006 4.350 0.000 0.000 0.290 142 T C 0.093 174.794 174.700 0.001 0.000 1.066 142 T CA -0.766 61.358 62.100 0.040 0.000 1.012 142 T CB 1.934 70.811 68.868 0.014 0.000 1.184 142 T HN 0.443 nan 8.240 nan 0.000 0.522 143 L N -0.166 121.090 121.223 0.054 0.000 3.016 143 L HA 0.371 4.711 4.340 0.000 0.000 0.267 143 L C 0.448 177.517 176.870 0.331 0.000 1.182 143 L CA -0.380 54.464 54.840 0.006 0.000 0.997 143 L CB 0.369 42.394 42.059 -0.057 0.000 1.354 143 L HN 0.647 nan 8.230 nan 0.000 0.569 144 D N 1.026 121.658 120.400 0.386 0.000 2.385 144 D HA -0.041 4.600 4.640 0.000 0.000 0.260 144 D C 0.999 177.552 176.300 0.422 0.000 1.326 144 D CA 0.256 54.483 54.000 0.379 0.000 1.023 144 D CB 0.351 41.385 40.800 0.390 0.000 1.083 144 D HN 0.043 nan 8.370 nan 0.000 0.517 145 N N 2.343 121.245 118.700 0.337 0.000 2.476 145 N HA -0.238 4.502 4.740 0.000 0.000 0.196 145 N C 1.486 176.936 175.510 -0.100 0.000 1.024 145 N CA 1.194 54.307 53.050 0.105 0.000 0.909 145 N CB 0.038 38.589 38.487 0.107 0.000 0.947 145 N HN 0.506 nan 8.380 nan 0.000 0.450 146 A N -0.585 122.222 122.820 -0.022 0.000 1.897 146 A HA -0.074 4.246 4.320 0.000 0.000 0.215 146 A C 1.312 178.718 177.584 -0.296 0.000 1.181 146 A CA 0.864 52.793 52.037 -0.180 0.000 0.620 146 A CB -0.574 18.291 19.000 -0.226 0.000 0.821 146 A HN 0.395 nan 8.150 nan 0.000 0.443 147 Y N -0.681 119.565 120.300 -0.089 0.000 2.502 147 Y HA 0.129 4.679 4.550 0.000 0.000 0.295 147 Y C 2.020 177.771 175.900 -0.248 0.000 1.193 147 Y CA 0.411 58.464 58.100 -0.078 0.000 1.295 147 Y CB -0.435 38.060 38.460 0.058 0.000 1.059 147 Y HN 0.358 nan 8.280 nan 0.000 0.514 148 M N 0.384 119.685 119.600 -0.498 0.000 2.252 148 M HA -0.284 4.196 4.480 0.000 0.000 0.257 148 M C 0.180 176.143 176.300 -0.562 0.000 1.077 148 M CA 2.087 56.733 55.300 -1.090 0.000 1.066 148 M CB 0.090 32.065 32.600 -1.041 0.000 1.380 148 M HN 0.285 nan 8.290 nan 0.000 0.412 149 E N -1.137 118.895 120.200 -0.279 0.000 3.428 149 E HA 0.145 4.495 4.350 0.000 0.000 0.191 149 E C -0.162 176.401 176.600 -0.061 0.000 0.980 149 E CA 0.012 56.325 56.400 -0.145 0.000 1.305 149 E CB 0.696 30.310 29.700 -0.143 0.000 1.105 149 E HN 0.316 nan 8.360 nan 0.000 0.455 150 K N 0.642 121.039 120.400 -0.006 0.000 3.278 150 K HA 0.310 4.630 4.320 0.000 0.000 0.200 150 K C -0.199 176.489 176.600 0.147 0.000 1.107 150 K CA -0.374 55.945 56.287 0.054 0.000 0.923 150 K CB -0.768 31.741 32.500 0.014 0.000 0.787 150 K HN 0.153 nan 8.250 nan 0.000 0.481 151 C N 2.359 121.736 119.300 0.127 0.000 2.656 151 C HA 0.775 5.235 4.460 0.000 0.000 0.391 151 C C 0.217 175.270 174.990 0.104 0.000 1.300 151 C CA 0.059 59.162 59.018 0.141 0.000 2.302 151 C CB 0.293 28.120 27.740 0.146 0.000 2.655 151 C HN 0.927 nan 8.230 nan 0.000 0.656 152 D N -0.494 119.958 120.400 0.087 0.000 2.769 152 D HA 0.115 4.756 4.640 0.000 0.000 0.309 152 D C -0.144 176.179 176.300 0.038 0.000 1.315 152 D CA -0.625 53.412 54.000 0.062 0.000 0.780 152 D CB -0.070 40.768 40.800 0.062 0.000 1.312 152 D HN 0.352 nan 8.370 nan 0.000 0.437 153 E N -0.210 120.003 120.200 0.023 0.000 2.393 153 E HA -0.094 4.256 4.350 0.000 0.000 0.201 153 E C 0.802 177.400 176.600 -0.003 0.000 1.025 153 E CA 1.380 57.781 56.400 0.000 0.000 0.856 153 E CB -0.285 29.409 29.700 -0.010 0.000 0.771 153 E HN 0.343 nan 8.360 nan 0.000 0.526 154 N N -0.439 118.263 118.700 0.003 0.000 2.591 154 N HA 0.086 4.826 4.740 0.000 0.000 0.200 154 N C 0.109 175.601 175.510 -0.029 0.000 1.040 154 N CA 0.293 53.336 53.050 -0.011 0.000 0.911 154 N CB 0.697 39.179 38.487 -0.009 0.000 1.259 154 N HN 0.054 nan 8.380 nan 0.000 0.438 155 I N 1.832 122.383 120.570 -0.031 0.000 2.404 155 I HA 0.304 4.474 4.170 0.000 0.000 0.293 155 I C -0.889 175.237 176.117 0.015 0.000 0.992 155 I CA -0.710 60.545 61.300 -0.075 0.000 1.149 155 I CB 1.936 39.796 38.000 -0.235 0.000 1.315 155 I HN -0.032 nan 8.210 nan 0.000 0.446 156 L N 8.024 129.266 121.223 0.032 0.000 2.406 156 L HA 0.429 4.770 4.340 0.000 0.000 0.270 156 L C -1.264 175.695 176.870 0.149 0.000 0.982 156 L CA -0.288 54.612 54.840 0.100 0.000 0.843 156 L CB 1.484 43.579 42.059 0.060 0.000 1.225 156 L HN 0.603 nan 8.230 nan 0.000 0.412 157 W N 6.392 127.715 121.300 0.039 0.000 2.316 157 W HA 0.632 5.292 4.660 0.000 0.000 0.321 157 W C -1.502 175.053 176.519 0.059 0.000 1.203 157 W CA -0.331 57.048 57.345 0.056 0.000 1.214 157 W CB 1.015 30.533 29.460 0.096 0.000 1.169 157 W HN 0.457 nan 8.180 nan 0.000 0.561 158 L N 4.831 125.527 121.223 -0.879 0.000 2.301 158 L HA 0.286 4.626 4.340 0.000 0.000 0.264 158 L C 0.606 176.543 176.870 -1.555 0.000 1.016 158 L CA -0.443 53.883 54.840 -0.857 0.000 0.821 158 L CB 1.905 43.734 42.059 -0.383 0.000 1.346 158 L HN 0.609 nan 8.230 nan 0.000 0.429 159 D N -0.906 118.982 120.400 -0.853 0.000 2.368 159 D HA -0.028 4.613 4.640 0.000 0.000 0.218 159 D C -0.393 175.817 176.300 -0.150 0.000 1.112 159 D CA 0.069 53.755 54.000 -0.523 0.000 0.834 159 D CB -0.231 40.520 40.800 -0.082 0.000 0.953 159 D HN 0.230 nan 8.370 nan 0.000 0.505 160 Y N 1.961 122.076 120.300 -0.308 0.000 2.587 160 Y HA 0.353 4.903 4.550 0.000 0.000 0.328 160 Y C 0.969 176.769 175.900 -0.167 0.000 0.980 160 Y CA -1.624 56.366 58.100 -0.184 0.000 1.272 160 Y CB 0.776 39.141 38.460 -0.158 0.000 1.094 160 Y HN -0.267 nan 8.280 nan 0.000 0.503 161 K N 2.453 122.727 120.400 -0.209 0.000 2.032 161 K HA -0.205 4.116 4.320 0.000 0.000 0.209 161 K C 0.986 177.323 176.600 -0.439 0.000 1.048 161 K CA 2.066 58.196 56.287 -0.262 0.000 0.927 161 K CB 0.092 32.531 32.500 -0.101 0.000 0.712 161 K HN 0.515 nan 8.250 nan 0.000 0.441 162 N N 1.085 119.385 118.700 -0.667 0.000 2.515 162 N HA 0.016 4.756 4.740 0.000 0.000 0.185 162 N C 1.414 176.459 175.510 -0.775 0.000 1.109 162 N CA 0.092 52.789 53.050 -0.587 0.000 0.903 162 N CB -0.097 38.198 38.487 -0.320 0.000 0.969 162 N HN 0.150 nan 8.380 nan 0.000 0.450 163 I N 0.156 119.924 120.570 -1.337 0.000 2.178 163 I HA -0.538 3.632 4.170 0.000 0.000 0.243 163 I C 1.311 177.261 176.117 -0.277 0.000 1.019 163 I CA 1.431 62.315 61.300 -0.693 0.000 1.294 163 I CB -0.181 37.608 38.000 -0.352 0.000 0.996 163 I HN 0.250 nan 8.210 nan 0.000 0.415 164 C N 0.738 119.884 119.300 -0.256 0.000 2.411 164 C HA -0.172 4.288 4.460 0.000 0.000 0.279 164 C C 2.451 177.363 174.990 -0.130 0.000 1.288 164 C CA 1.244 60.160 59.018 -0.169 0.000 1.764 164 C CB -1.235 26.408 27.740 -0.160 0.000 1.974 164 C HN 0.499 nan 8.230 nan 0.000 0.498 165 K N 0.618 120.939 120.400 -0.131 0.000 2.418 165 K HA 0.014 4.334 4.320 0.000 0.000 0.195 165 K C 1.538 178.112 176.600 -0.043 0.000 1.035 165 K CA 1.080 57.319 56.287 -0.080 0.000 1.003 165 K CB -0.004 32.453 32.500 -0.072 0.000 0.793 165 K HN 0.602 nan 8.250 nan 0.000 0.494 166 V N -1.820 118.078 119.914 -0.026 0.000 3.643 166 V HA 0.111 4.231 4.120 0.000 0.000 0.280 166 V C 0.674 176.776 176.094 0.013 0.000 1.351 166 V CA -0.544 61.769 62.300 0.023 0.000 1.073 166 V CB -0.121 31.764 31.823 0.104 0.000 0.863 166 V HN -0.016 nan 8.190 nan 0.000 0.436 167 V N -1.705 118.201 119.914 -0.013 0.000 2.994 167 V HA 0.850 4.971 4.120 0.000 0.000 0.318 167 V C -1.012 175.056 176.094 -0.043 0.000 1.085 167 V CA -0.420 61.868 62.300 -0.020 0.000 0.998 167 V CB 1.938 33.746 31.823 -0.025 0.000 1.063 167 V HN 0.265 nan 8.190 nan 0.000 0.447 168 D N 0.036 120.410 120.400 -0.042 0.000 2.579 168 D HA 0.390 5.030 4.640 0.000 0.000 0.257 168 D C -0.845 175.422 176.300 -0.056 0.000 1.176 168 D CA -0.405 53.564 54.000 -0.051 0.000 0.914 168 D CB 2.218 42.995 40.800 -0.039 0.000 1.431 168 D HN 0.741 nan 8.370 nan 0.000 0.454 169 V N 0.753 120.630 119.914 -0.060 0.000 2.557 169 V HA 0.368 4.488 4.120 0.000 0.000 0.301 169 V C 1.298 177.365 176.094 -0.045 0.000 1.026 169 V CA 2.071 64.336 62.300 -0.059 0.000 1.137 169 V CB 0.047 31.837 31.823 -0.056 0.000 0.917 169 V HN 0.892 nan 8.190 nan 0.000 0.484 170 G N 4.080 112.853 108.800 -0.045 0.000 2.279 170 G HA2 -0.235 3.726 3.960 0.000 0.000 0.223 170 G HA3 -0.235 3.726 3.960 0.000 0.000 0.223 170 G C 0.529 175.407 174.900 -0.036 0.000 1.015 170 G CA 0.168 45.246 45.100 -0.037 0.000 0.621 170 G HN 1.149 nan 8.290 nan 0.000 0.506 171 S N 2.100 117.778 115.700 -0.035 0.000 2.558 171 S HA 0.427 4.898 4.470 0.000 0.000 0.287 171 S C 0.387 174.962 174.600 -0.042 0.000 1.321 171 S CA 0.215 58.399 58.200 -0.026 0.000 1.048 171 S CB 0.871 64.058 63.200 -0.022 0.000 0.844 171 S HN 0.430 nan 8.310 nan 0.000 0.512 172 K N 1.673 122.053 120.400 -0.033 0.000 2.138 172 K HA 0.567 4.888 4.320 0.000 0.000 0.263 172 K C -0.974 175.575 176.600 -0.084 0.000 0.965 172 K CA -0.607 55.620 56.287 -0.099 0.000 0.868 172 K CB 1.650 34.084 32.500 -0.109 0.000 1.083 172 K HN 0.340 nan 8.250 nan 0.000 0.443 173 V N 3.270 123.081 119.914 -0.170 0.000 2.531 173 V HA 0.337 4.457 4.120 0.000 0.000 0.301 173 V C -1.144 174.846 176.094 -0.174 0.000 1.034 173 V CA -0.994 61.258 62.300 -0.080 0.000 0.865 173 V CB 0.957 32.752 31.823 -0.048 0.000 0.995 173 V HN 0.558 nan 8.190 nan 0.000 0.424 174 Y N 2.958 123.266 120.300 0.013 0.000 2.360 174 Y HA 0.737 5.287 4.550 0.000 0.000 0.337 174 Y C 0.117 176.033 175.900 0.026 0.000 1.039 174 Y CA -0.674 57.439 58.100 0.021 0.000 1.109 174 Y CB 2.097 40.573 38.460 0.028 0.000 1.201 174 Y HN 0.409 nan 8.280 nan 0.000 0.458 175 V N 1.706 121.719 119.914 0.165 0.000 2.823 175 V HA 0.313 4.433 4.120 0.000 0.000 0.312 175 V C -0.771 175.399 176.094 0.126 0.000 1.072 175 V CA -1.352 61.020 62.300 0.120 0.000 0.937 175 V CB 1.821 33.690 31.823 0.076 0.000 1.013 175 V HN 0.827 nan 8.190 nan 0.000 0.430 176 D N 3.340 123.810 120.400 0.116 0.000 3.133 176 D HA -0.170 4.470 4.640 0.000 0.000 0.239 176 D C 0.141 176.508 176.300 0.112 0.000 1.136 176 D CA 1.071 55.138 54.000 0.111 0.000 0.898 176 D CB -0.939 39.925 40.800 0.106 0.000 0.959 176 D HN 0.872 nan 8.370 nan 0.000 0.415 177 D N 0.874 121.339 120.400 0.109 0.000 2.708 177 D HA -0.155 4.485 4.640 0.000 0.000 0.236 177 D C 1.316 177.669 176.300 0.088 0.000 1.146 177 D CA 1.904 55.958 54.000 0.090 0.000 0.662 177 D CB -1.556 39.292 40.800 0.079 0.000 1.059 177 D HN 1.259 nan 8.370 nan 0.000 0.428 178 G N -0.656 108.219 108.800 0.126 0.000 2.200 178 G HA2 -0.384 3.576 3.960 0.000 0.000 0.267 178 G HA3 -0.384 3.576 3.960 0.000 0.000 0.267 178 G C 1.161 176.200 174.900 0.231 0.000 0.993 178 G CA 0.778 45.987 45.100 0.182 0.000 0.701 178 G HN 0.540 nan 8.290 nan 0.000 0.524 179 L N -0.944 120.378 121.223 0.164 0.000 2.240 179 L HA 0.319 4.659 4.340 0.000 0.000 0.211 179 L C 1.399 178.348 176.870 0.131 0.000 1.106 179 L CA 0.690 55.611 54.840 0.135 0.000 0.793 179 L CB 0.036 42.159 42.059 0.107 0.000 0.927 179 L HN 0.296 nan 8.230 nan 0.000 0.446 180 I N -0.924 119.725 120.570 0.132 0.000 2.433 180 I HA 0.172 4.342 4.170 0.000 0.000 0.292 180 I C -0.093 176.034 176.117 0.017 0.000 1.001 180 I CA -0.219 61.120 61.300 0.065 0.000 1.119 180 I CB 2.016 40.043 38.000 0.045 0.000 1.289 180 I HN -0.142 nan 8.210 nan 0.000 0.438 181 S N 7.629 123.277 115.700 -0.085 0.000 2.482 181 S HA 0.787 5.257 4.470 0.000 0.000 0.303 181 S C -0.991 173.474 174.600 -0.224 0.000 1.091 181 S CA -0.565 57.458 58.200 -0.295 0.000 1.057 181 S CB 0.895 63.883 63.200 -0.354 0.000 1.031 181 S HN 0.495 nan 8.310 nan 0.000 0.485 182 L N 3.464 124.533 121.223 -0.257 0.000 2.381 182 L HA 0.609 4.950 4.340 0.000 0.000 0.268 182 L C -0.514 176.261 176.870 -0.158 0.000 0.997 182 L CA -0.763 53.982 54.840 -0.158 0.000 0.818 182 L CB 2.186 44.182 42.059 -0.105 0.000 1.310 182 L HN 0.703 nan 8.230 nan 0.000 0.416 183 Q N 1.821 121.555 119.800 -0.110 0.000 2.327 183 Q HA 0.440 4.780 4.340 0.000 0.000 0.270 183 Q C -1.319 174.639 176.000 -0.069 0.000 1.022 183 Q CA -0.668 55.081 55.803 -0.091 0.000 0.773 183 Q CB 2.193 30.885 28.738 -0.077 0.000 1.251 183 Q HN 0.488 nan 8.270 nan 0.000 0.457 184 V N 5.418 125.291 119.914 -0.067 0.000 2.540 184 V HA -0.030 4.090 4.120 0.000 0.000 0.297 184 V C 0.598 176.655 176.094 -0.061 0.000 1.024 184 V CA 0.447 62.707 62.300 -0.067 0.000 1.105 184 V CB 0.605 32.385 31.823 -0.073 0.000 0.938 184 V HN 0.841 nan 8.190 nan 0.000 0.482 185 K N 3.075 123.440 120.400 -0.059 0.000 2.387 185 K HA 0.195 4.515 4.320 0.000 0.000 0.197 185 K C 0.534 177.098 176.600 -0.060 0.000 1.127 185 K CA 0.329 56.586 56.287 -0.050 0.000 0.950 185 K CB 0.592 33.070 32.500 -0.036 0.000 1.017 185 K HN 0.698 nan 8.250 nan 0.000 0.519 186 Q N 1.207 120.958 119.800 -0.081 0.000 2.274 186 Q HA 0.211 4.551 4.340 0.000 0.000 0.268 186 Q C -1.206 174.667 176.000 -0.210 0.000 1.015 186 Q CA -0.303 55.431 55.803 -0.114 0.000 0.775 186 Q CB 1.909 30.600 28.738 -0.078 0.000 1.256 186 Q HN -0.110 nan 8.270 nan 0.000 0.442 187 K N 3.301 123.569 120.400 -0.219 0.000 2.363 187 K HA 0.323 4.643 4.320 0.000 0.000 0.240 187 K C -0.279 176.087 176.600 -0.389 0.000 1.169 187 K CA -0.212 55.907 56.287 -0.279 0.000 1.131 187 K CB 0.025 32.419 32.500 -0.176 0.000 1.771 187 K HN 0.749 nan 8.250 nan 0.000 0.380 188 G N 2.953 111.303 108.800 -0.750 0.000 2.442 188 G HA2 0.147 4.107 3.960 0.000 0.000 0.249 188 G HA3 0.147 4.107 3.960 0.000 0.000 0.249 188 G C -2.518 172.013 174.900 -0.616 0.000 1.263 188 G CA -1.170 43.385 45.100 -0.908 0.000 0.846 188 G HN 0.358 nan 8.290 nan 0.000 0.555 189 P HA 0.106 nan 4.420 nan 0.000 0.258 189 P C 0.140 177.494 177.300 0.089 0.000 1.187 189 P CA 0.841 63.917 63.100 -0.040 0.000 0.767 189 P CB 0.614 32.329 31.700 0.026 0.000 0.770 190 D N 1.777 122.194 120.400 0.028 0.000 2.876 190 D HA -0.185 4.455 4.640 0.000 0.000 0.196 190 D C -0.496 175.924 176.300 0.201 0.000 1.014 190 D CA 1.520 55.577 54.000 0.095 0.000 1.012 190 D CB -1.454 39.425 40.800 0.131 0.000 1.080 190 D HN 0.357 nan 8.370 nan 0.000 0.438 191 F N -1.812 118.102 119.950 -0.060 0.000 2.741 191 F HA 0.708 5.235 4.527 0.000 0.000 0.313 191 F C -2.088 173.673 175.800 -0.065 0.000 1.153 191 F CA -1.383 56.578 58.000 -0.065 0.000 0.931 191 F CB 0.915 39.882 39.000 -0.056 0.000 1.335 191 F HN -0.173 nan 8.300 nan 0.000 0.460 192 L N 2.919 124.119 121.223 -0.038 0.000 2.439 192 L HA 0.541 4.881 4.340 0.000 0.000 0.270 192 L C -0.905 175.970 176.870 0.008 0.000 0.972 192 L CA -0.851 53.897 54.840 -0.154 0.000 0.836 192 L CB 1.536 43.529 42.059 -0.109 0.000 1.255 192 L HN 0.673 nan 8.230 nan 0.000 0.404 193 V N 3.011 122.909 119.914 -0.027 0.000 2.383 193 V HA 0.639 4.760 4.120 0.000 0.000 0.275 193 V C 0.715 176.800 176.094 -0.015 0.000 1.036 193 V CA -0.233 62.096 62.300 0.049 0.000 0.889 193 V CB 1.559 33.434 31.823 0.088 0.000 0.985 193 V HN 0.968 nan 8.190 nan 0.000 0.459 194 T N 1.614 116.160 114.554 -0.013 0.000 2.807 194 T HA 0.714 5.064 4.350 0.000 0.000 0.277 194 T C -0.710 173.971 174.700 -0.031 0.000 1.006 194 T CA -0.779 61.301 62.100 -0.034 0.000 1.006 194 T CB 2.421 71.263 68.868 -0.044 0.000 1.274 194 T HN 0.627 nan 8.240 nan 0.000 0.569 195 E N 0.162 120.336 120.200 -0.043 0.000 2.256 195 E HA 0.481 4.831 4.350 0.000 0.000 0.268 195 E C -1.282 175.284 176.600 -0.055 0.000 0.877 195 E CA -1.048 55.326 56.400 -0.042 0.000 0.757 195 E CB 2.555 32.232 29.700 -0.038 0.000 1.183 195 E HN 0.629 nan 8.360 nan 0.000 0.418 196 V N 4.901 124.783 119.914 -0.053 0.000 2.508 196 V HA 0.117 4.238 4.120 0.000 0.000 0.281 196 V C 0.431 176.486 176.094 -0.063 0.000 1.041 196 V CA 0.715 62.977 62.300 -0.064 0.000 1.016 196 V CB 1.102 32.889 31.823 -0.061 0.000 0.984 196 V HN 0.883 nan 8.190 nan 0.000 0.478 197 E N 4.374 124.526 120.200 -0.079 0.000 2.057 197 E HA 0.129 4.479 4.350 0.000 0.000 0.191 197 E C 0.316 176.886 176.600 -0.052 0.000 0.959 197 E CA 0.359 56.718 56.400 -0.068 0.000 0.828 197 E CB 0.211 29.858 29.700 -0.090 0.000 0.800 197 E HN 0.795 nan 8.360 nan 0.000 0.460 198 N N -0.504 118.162 118.700 -0.057 0.000 2.938 198 N HA 0.317 5.057 4.740 0.000 0.000 0.335 198 N C 0.411 175.907 175.510 -0.022 0.000 1.358 198 N CA 0.411 53.447 53.050 -0.023 0.000 0.812 198 N CB 0.561 39.054 38.487 0.011 0.000 1.233 198 N HN 0.224 nan 8.380 nan 0.000 0.593 199 G N -1.450 107.355 108.800 0.008 0.000 2.749 199 G HA2 0.013 3.973 3.960 0.000 0.000 0.242 199 G HA3 0.013 3.973 3.960 0.000 0.000 0.242 199 G C 0.294 175.174 174.900 -0.033 0.000 1.364 199 G CA 0.414 45.521 45.100 0.012 0.000 0.888 199 G HN 0.914 nan 8.290 nan 0.000 0.566 200 G N -2.047 106.721 108.800 -0.053 0.000 3.121 200 G HA2 0.487 4.447 3.960 0.000 0.000 0.133 200 G HA3 0.487 4.447 3.960 0.000 0.000 0.133 200 G C -0.204 174.491 174.900 -0.342 0.000 1.398 200 G CA 0.131 45.098 45.100 -0.221 0.000 1.037 200 G HN 0.866 nan 8.290 nan 0.000 0.644 201 F N 2.369 122.337 119.950 0.028 0.000 2.424 201 F HA 0.606 5.133 4.527 0.000 0.000 0.356 201 F C 0.168 175.989 175.800 0.036 0.000 1.110 201 F CA -0.583 57.434 58.000 0.030 0.000 1.161 201 F CB 1.712 40.729 39.000 0.027 0.000 1.115 201 F HN 0.001 nan 8.300 nan 0.000 0.507 202 L N 4.099 125.427 121.223 0.174 0.000 2.322 202 L HA 0.732 5.072 4.340 0.000 0.000 0.281 202 L C -0.009 176.942 176.870 0.136 0.000 1.014 202 L CA 0.037 54.954 54.840 0.129 0.000 0.815 202 L CB 1.044 43.150 42.059 0.079 0.000 1.247 202 L HN 0.699 nan 8.230 nan 0.000 0.421 203 G N 2.968 111.839 108.800 0.118 0.000 2.971 203 G HA2 0.482 4.443 3.960 0.000 0.000 0.235 203 G HA3 0.482 4.443 3.960 0.000 0.000 0.235 203 G C -0.884 174.073 174.900 0.094 0.000 1.351 203 G CA -0.431 44.728 45.100 0.099 0.000 1.039 203 G HN 0.612 nan 8.290 nan 0.000 0.563 204 S N 0.520 116.268 115.700 0.080 0.000 2.586 204 S HA 0.406 4.876 4.470 0.000 0.000 0.274 204 S C -0.281 174.380 174.600 0.103 0.000 1.281 204 S CA -0.501 57.751 58.200 0.087 0.000 1.035 204 S CB 1.119 64.355 63.200 0.060 0.000 0.962 204 S HN 0.479 nan 8.310 nan 0.000 0.512 205 K N 1.459 121.941 120.400 0.137 0.000 4.007 205 K HA -0.131 4.190 4.320 0.000 0.000 0.279 205 K C -0.755 175.937 176.600 0.154 0.000 0.919 205 K CA 0.674 57.060 56.287 0.164 0.000 0.800 205 K CB -0.953 31.642 32.500 0.158 0.000 1.572 205 K HN 0.456 nan 8.250 nan 0.000 0.443 206 K N -0.123 120.362 120.400 0.142 0.000 2.156 206 K HA 0.423 4.743 4.320 0.000 0.000 0.250 206 K C 0.825 177.499 176.600 0.122 0.000 0.955 206 K CA -0.408 55.956 56.287 0.128 0.000 0.855 206 K CB 1.428 33.997 32.500 0.114 0.000 1.101 206 K HN 0.385 nan 8.250 nan 0.000 0.434 207 G N 0.435 109.308 108.800 0.122 0.000 2.398 207 G HA2 0.345 4.306 3.960 0.000 0.000 0.246 207 G HA3 0.345 4.306 3.960 0.000 0.000 0.246 207 G C -0.561 174.395 174.900 0.094 0.000 1.289 207 G CA -0.309 44.856 45.100 0.108 0.000 0.869 207 G HN 0.204 nan 8.290 nan 0.000 0.543 208 V N 2.794 122.747 119.914 0.065 0.000 2.540 208 V HA 0.386 4.506 4.120 0.000 0.000 0.302 208 V C -0.569 175.554 176.094 0.048 0.000 1.035 208 V CA -1.052 61.285 62.300 0.062 0.000 0.873 208 V CB 1.953 33.795 31.823 0.032 0.000 0.992 208 V HN 0.764 nan 8.190 nan 0.000 0.428 209 N N 3.753 122.514 118.700 0.103 0.000 2.314 209 N HA 0.688 5.429 4.740 0.000 0.000 0.294 209 N C -1.270 174.323 175.510 0.139 0.000 1.029 209 N CA -0.534 52.572 53.050 0.094 0.000 0.845 209 N CB 2.012 40.555 38.487 0.093 0.000 1.321 209 N HN 0.417 nan 8.380 nan 0.000 0.481 210 L N 3.840 125.107 121.223 0.074 0.000 2.506 210 L HA 0.430 4.771 4.340 0.000 0.000 0.247 210 L C -1.613 175.303 176.870 0.078 0.000 1.141 210 L CA -1.791 53.099 54.840 0.085 0.000 0.973 210 L CB 0.825 42.912 42.059 0.047 0.000 1.319 210 L HN 0.485 nan 8.230 nan 0.000 0.455 211 P HA -0.176 nan 4.420 nan 0.000 0.216 211 P C 1.430 178.762 177.300 0.053 0.000 1.167 211 P CA 1.487 64.636 63.100 0.080 0.000 0.914 211 P CB 0.347 32.112 31.700 0.108 0.000 0.793 212 G N -1.860 106.974 108.800 0.056 0.000 2.920 212 G HA2 0.276 4.236 3.960 0.000 0.000 0.208 212 G HA3 0.276 4.236 3.960 0.000 0.000 0.208 212 G C 0.501 175.406 174.900 0.009 0.000 1.159 212 G CA 0.428 45.539 45.100 0.019 0.000 0.784 212 G HN 0.493 nan 8.290 nan 0.000 0.535 213 A N -0.330 122.502 122.820 0.020 0.000 2.256 213 A HA 0.801 5.121 4.320 0.000 0.000 0.318 213 A C 0.295 177.886 177.584 0.011 0.000 1.103 213 A CA -0.011 52.037 52.037 0.018 0.000 0.860 213 A CB 1.178 20.201 19.000 0.038 0.000 1.182 213 A HN 0.778 nan 8.150 nan 0.000 0.501 214 A N 0.953 123.782 122.820 0.016 0.000 2.969 214 A HA 0.521 4.841 4.320 0.000 0.000 0.328 214 A C -0.168 177.426 177.584 0.016 0.000 1.355 214 A CA -0.383 51.661 52.037 0.010 0.000 1.018 214 A CB -0.671 18.337 19.000 0.012 0.000 1.159 214 A HN 0.898 nan 8.150 nan 0.000 0.505 215 V N 2.875 122.771 119.914 -0.029 0.000 2.479 215 V HA -0.099 4.021 4.120 0.000 0.000 0.284 215 V C 0.980 177.034 176.094 -0.065 0.000 0.981 215 V CA 1.132 63.369 62.300 -0.105 0.000 1.139 215 V CB -0.335 31.307 31.823 -0.302 0.000 0.947 215 V HN 0.928 nan 8.190 nan 0.000 0.468 216 D N 3.880 124.312 120.400 0.054 0.000 2.338 216 D HA 0.024 4.664 4.640 0.000 0.000 0.239 216 D C 0.433 176.753 176.300 0.033 0.000 1.095 216 D CA -0.027 54.008 54.000 0.057 0.000 0.888 216 D CB -0.149 40.710 40.800 0.100 0.000 0.899 216 D HN 0.494 nan 8.370 nan 0.000 0.525 217 L N 0.818 121.998 121.223 -0.070 0.000 2.473 217 L HA 0.231 4.571 4.340 0.000 0.000 0.268 217 L C -1.500 175.343 176.870 -0.044 0.000 1.215 217 L CA -1.625 53.171 54.840 -0.074 0.000 0.823 217 L CB -0.043 41.876 42.059 -0.234 0.000 1.099 217 L HN 0.003 nan 8.230 nan 0.000 0.483 218 P HA 0.066 nan 4.420 nan 0.000 0.275 218 P C -0.178 177.121 177.300 -0.003 0.000 1.228 218 P CA -0.331 62.770 63.100 0.000 0.000 0.786 218 P CB 1.238 32.948 31.700 0.016 0.000 0.927 219 A N 3.129 125.957 122.820 0.014 0.000 1.873 219 A HA -0.003 4.317 4.320 0.000 0.000 0.215 219 A C 1.016 178.623 177.584 0.038 0.000 1.186 219 A CA 1.384 53.439 52.037 0.030 0.000 0.616 219 A CB -0.626 18.393 19.000 0.032 0.000 0.823 219 A HN 0.428 nan 8.150 nan 0.000 0.442 220 V N 1.715 121.649 119.914 0.033 0.000 2.305 220 V HA 0.317 4.437 4.120 0.000 0.000 0.275 220 V C 0.224 176.338 176.094 0.034 0.000 1.020 220 V CA -0.253 62.069 62.300 0.037 0.000 0.811 220 V CB 0.603 32.448 31.823 0.036 0.000 1.031 220 V HN 0.561 nan 8.190 nan 0.000 0.439 221 S N 2.301 118.022 115.700 0.035 0.000 2.624 221 S HA 0.276 4.746 4.470 0.000 0.000 0.263 221 S C 1.168 175.794 174.600 0.043 0.000 1.287 221 S CA -0.007 58.214 58.200 0.035 0.000 0.990 221 S CB 1.514 64.733 63.200 0.032 0.000 0.950 221 S HN 0.629 nan 8.310 nan 0.000 0.561 222 E N 1.280 121.506 120.200 0.043 0.000 2.065 222 E HA -0.236 4.114 4.350 0.000 0.000 0.201 222 E C 1.800 178.433 176.600 0.055 0.000 1.016 222 E CA 1.824 58.251 56.400 0.046 0.000 0.818 222 E CB -0.417 29.308 29.700 0.041 0.000 0.749 222 E HN 0.648 nan 8.360 nan 0.000 0.453 223 K N 0.315 120.749 120.400 0.057 0.000 2.074 223 K HA -0.190 4.131 4.320 0.000 0.000 0.209 223 K C 1.621 178.279 176.600 0.097 0.000 1.048 223 K CA 1.902 58.233 56.287 0.072 0.000 0.926 223 K CB -0.465 32.077 32.500 0.070 0.000 0.713 223 K HN 0.241 nan 8.250 nan 0.000 0.444 224 D N 0.646 121.092 120.400 0.078 0.000 2.097 224 D HA -0.130 4.510 4.640 0.000 0.000 0.197 224 D C 2.107 178.443 176.300 0.060 0.000 0.984 224 D CA 0.966 55.006 54.000 0.067 0.000 0.826 224 D CB -0.298 40.533 40.800 0.052 0.000 0.973 224 D HN 0.269 nan 8.370 nan 0.000 0.460 225 I N 0.999 121.605 120.570 0.060 0.000 2.248 225 I HA -0.311 3.859 4.170 0.000 0.000 0.248 225 I C 2.384 178.551 176.117 0.083 0.000 1.107 225 I CA 1.273 62.608 61.300 0.058 0.000 1.373 225 I CB -0.285 37.747 38.000 0.053 0.000 1.055 225 I HN 0.036 nan 8.210 nan 0.000 0.418 226 Q N 0.241 120.110 119.800 0.115 0.000 2.123 226 Q HA -0.170 4.170 4.340 0.000 0.000 0.199 226 Q C 1.750 177.910 176.000 0.268 0.000 0.966 226 Q CA 1.193 57.107 55.803 0.184 0.000 0.845 226 Q CB -0.044 28.794 28.738 0.166 0.000 0.907 226 Q HN 0.514 nan 8.270 nan 0.000 0.439 227 D N 0.912 121.443 120.400 0.219 0.000 2.117 227 D HA -0.121 4.519 4.640 0.000 0.000 0.198 227 D C 2.011 178.268 176.300 -0.072 0.000 0.982 227 D CA 0.918 54.979 54.000 0.102 0.000 0.828 227 D CB -0.103 40.696 40.800 -0.003 0.000 0.967 227 D HN 0.208 nan 8.370 nan 0.000 0.464 228 L N 0.425 121.615 121.223 -0.054 0.000 2.017 228 L HA -0.185 4.155 4.340 0.000 0.000 0.208 228 L C 2.430 179.281 176.870 -0.031 0.000 1.073 228 L CA 1.046 55.839 54.840 -0.078 0.000 0.745 228 L CB -0.282 41.754 42.059 -0.039 0.000 0.894 228 L HN -0.093 nan 8.230 nan 0.000 0.432 229 K N -0.160 120.262 120.400 0.035 0.000 2.044 229 K HA -0.240 4.080 4.320 0.000 0.000 0.210 229 K C 1.881 178.513 176.600 0.052 0.000 1.049 229 K CA 1.675 57.994 56.287 0.053 0.000 0.927 229 K CB -0.609 31.952 32.500 0.101 0.000 0.713 229 K HN 0.113 nan 8.250 nan 0.000 0.443 230 F N 0.364 120.271 119.950 -0.072 0.000 2.126 230 F HA -0.113 4.414 4.527 0.000 0.000 0.299 230 F C 1.950 177.657 175.800 -0.154 0.000 1.096 230 F CA 1.941 59.858 58.000 -0.139 0.000 1.255 230 F CB -0.762 38.007 39.000 -0.385 0.000 0.997 230 F HN 0.090 nan 8.300 nan 0.000 0.479 231 G N -0.060 108.620 108.800 -0.201 0.000 2.418 231 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 231 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 231 G C 1.760 176.518 174.900 -0.236 0.000 1.158 231 G CA 1.246 46.181 45.100 -0.274 0.000 0.771 231 G HN 0.338 nan 8.290 nan 0.000 0.545 232 V N 0.838 120.657 119.914 -0.158 0.000 2.255 232 V HA -0.196 3.924 4.120 0.000 0.000 0.247 232 V C 2.701 178.710 176.094 -0.142 0.000 1.051 232 V CA 2.333 64.564 62.300 -0.114 0.000 1.018 232 V CB -0.507 31.277 31.823 -0.065 0.000 0.641 232 V HN 0.368 nan 8.190 nan 0.000 0.445 233 E N 0.248 120.343 120.200 -0.175 0.000 2.070 233 E HA -0.222 4.128 4.350 0.000 0.000 0.197 233 E C 2.220 178.662 176.600 -0.263 0.000 1.004 233 E CA 1.484 57.769 56.400 -0.190 0.000 0.805 233 E CB -0.341 29.246 29.700 -0.189 0.000 0.744 233 E HN 0.525 nan 8.360 nan 0.000 0.451 234 Q N 0.191 119.727 119.800 -0.439 0.000 2.482 234 Q HA -0.038 4.302 4.340 0.000 0.000 0.209 234 Q C -0.066 175.808 176.000 -0.210 0.000 0.961 234 Q CA 0.968 56.536 55.803 -0.392 0.000 0.945 234 Q CB -0.008 28.372 28.738 -0.595 0.000 1.012 234 Q HN 0.307 nan 8.270 nan 0.000 0.515 235 D N -0.182 120.116 120.400 -0.171 0.000 2.716 235 D HA -0.142 4.499 4.640 0.000 0.000 0.239 235 D C -0.298 175.954 176.300 -0.081 0.000 1.125 235 D CA 0.583 54.523 54.000 -0.100 0.000 0.681 235 D CB -1.288 39.471 40.800 -0.067 0.000 1.070 235 D HN 0.141 nan 8.370 nan 0.000 0.432 236 V N -2.601 117.248 119.914 -0.108 0.000 3.096 236 V HA 0.281 4.402 4.120 0.000 0.000 0.306 236 V C 1.464 177.522 176.094 -0.061 0.000 1.088 236 V CA 0.374 62.619 62.300 -0.091 0.000 1.129 236 V CB 1.273 33.015 31.823 -0.136 0.000 1.014 236 V HN 0.079 nan 8.190 nan 0.000 0.486 237 D N 2.386 122.760 120.400 -0.043 0.000 2.183 237 D HA 0.124 4.764 4.640 0.000 0.000 0.205 237 D C 0.720 177.010 176.300 -0.017 0.000 0.962 237 D CA 1.661 55.657 54.000 -0.006 0.000 0.849 237 D CB 0.366 41.184 40.800 0.030 0.000 0.978 237 D HN 0.811 nan 8.370 nan 0.000 0.488 238 M N -1.038 118.517 119.600 -0.076 0.000 2.664 238 M HA 0.579 5.059 4.480 0.000 0.000 0.279 238 M C -1.524 174.658 176.300 -0.197 0.000 1.275 238 M CA -0.981 54.271 55.300 -0.080 0.000 0.829 238 M CB 3.113 35.710 32.600 -0.006 0.000 1.727 238 M HN -0.426 nan 8.290 nan 0.000 0.459 239 V N 1.909 121.757 119.914 -0.111 0.000 2.577 239 V HA 0.491 4.611 4.120 0.000 0.000 0.303 239 V C -1.527 174.630 176.094 0.106 0.000 1.042 239 V CA -0.404 61.822 62.300 -0.125 0.000 0.872 239 V CB 1.915 33.699 31.823 -0.065 0.000 0.998 239 V HN 0.680 nan 8.190 nan 0.000 0.423 240 F N 3.505 123.432 119.950 -0.038 0.000 2.309 240 F HA 0.605 5.132 4.527 0.000 0.000 0.366 240 F C 0.880 176.658 175.800 -0.036 0.000 1.104 240 F CA -1.559 56.420 58.000 -0.035 0.000 1.179 240 F CB 0.750 39.734 39.000 -0.027 0.000 1.437 240 F HN 0.542 nan 8.300 nan 0.000 0.528 241 A N 2.418 125.324 122.820 0.142 0.000 2.438 241 A HA 0.414 4.734 4.320 0.000 0.000 0.280 241 A C 0.615 178.228 177.584 0.049 0.000 1.160 241 A CA -0.174 51.908 52.037 0.075 0.000 0.821 241 A CB -0.217 18.812 19.000 0.047 0.000 1.101 241 A HN 0.554 nan 8.150 nan 0.000 0.515 242 S N 1.681 117.419 115.700 0.064 0.000 2.564 242 S HA 0.404 4.875 4.470 0.000 0.000 0.278 242 S C 0.132 174.796 174.600 0.105 0.000 1.333 242 S CA -0.093 58.105 58.200 -0.002 0.000 1.048 242 S CB -0.290 62.983 63.200 0.121 0.000 0.900 242 S HN 0.774 nan 8.310 nan 0.000 0.505 243 F N -1.151 118.802 119.950 0.005 0.000 3.100 243 F HA -0.208 4.319 4.527 0.000 0.000 0.284 243 F C 0.467 176.262 175.800 -0.008 0.000 0.875 243 F CA -0.011 57.986 58.000 -0.006 0.000 1.039 243 F CB -2.178 36.812 39.000 -0.017 0.000 1.111 243 F HN 0.596 nan 8.300 nan 0.000 0.575 244 I N -0.084 120.536 120.570 0.083 0.000 2.598 244 I HA 0.238 4.408 4.170 0.000 0.000 0.284 244 I C 1.259 177.402 176.117 0.043 0.000 1.140 244 I CA -0.035 61.296 61.300 0.052 0.000 1.420 244 I CB 0.965 38.969 38.000 0.008 0.000 1.387 244 I HN 0.296 nan 8.210 nan 0.000 0.553 245 R N 4.942 125.468 120.500 0.042 0.000 2.508 245 R HA 0.434 4.774 4.340 0.000 0.000 0.300 245 R C -0.415 175.892 176.300 0.012 0.000 0.970 245 R CA -0.600 55.524 56.100 0.040 0.000 1.102 245 R CB -0.045 30.291 30.300 0.060 0.000 1.246 245 R HN 0.818 nan 8.270 nan 0.000 0.539 246 K N -2.167 118.221 120.400 -0.020 0.000 2.685 246 K HA 0.459 4.780 4.320 0.000 0.000 0.290 246 K C -0.177 176.357 176.600 -0.111 0.000 1.018 246 K CA -0.354 55.904 56.287 -0.049 0.000 0.860 246 K CB 0.626 33.112 32.500 -0.024 0.000 1.498 246 K HN -0.160 nan 8.250 nan 0.000 0.390 247 A N 1.098 123.825 122.820 -0.156 0.000 1.948 247 A HA -0.181 4.139 4.320 0.000 0.000 0.220 247 A C 2.283 179.615 177.584 -0.420 0.000 1.177 247 A CA 2.713 54.557 52.037 -0.321 0.000 0.636 247 A CB -1.182 17.661 19.000 -0.263 0.000 0.815 247 A HN 0.885 nan 8.150 nan 0.000 0.449 248 A N 0.185 122.913 122.820 -0.153 0.000 1.917 248 A HA -0.255 4.065 4.320 0.000 0.000 0.219 248 A C 1.765 179.333 177.584 -0.026 0.000 1.182 248 A CA 2.068 54.093 52.037 -0.020 0.000 0.633 248 A CB -0.679 18.336 19.000 0.024 0.000 0.819 248 A HN 0.518 nan 8.150 nan 0.000 0.448 249 D N -0.179 120.191 120.400 -0.050 0.000 2.097 249 D HA -0.116 4.524 4.640 0.000 0.000 0.195 249 D C 2.087 178.368 176.300 -0.031 0.000 0.989 249 D CA 1.585 55.573 54.000 -0.020 0.000 0.827 249 D CB -0.743 40.051 40.800 -0.010 0.000 0.966 249 D HN 0.239 nan 8.370 nan 0.000 0.456 250 V N 0.936 120.786 119.914 -0.107 0.000 2.332 250 V HA -0.276 3.844 4.120 0.000 0.000 0.248 250 V C 2.106 178.195 176.094 -0.008 0.000 1.055 250 V CA 1.814 64.056 62.300 -0.096 0.000 1.038 250 V CB -0.806 30.904 31.823 -0.188 0.000 0.651 250 V HN 0.351 nan 8.190 nan 0.000 0.450 251 H N -0.382 118.687 119.070 -0.002 0.000 2.353 251 H HA -0.144 4.413 4.556 0.000 0.000 0.300 251 H C 2.493 177.824 175.328 0.004 0.000 1.090 251 H CA 1.443 57.490 56.048 -0.000 0.000 1.327 251 H CB 0.136 29.897 29.762 -0.002 0.000 1.383 251 H HN 0.493 nan 8.280 nan 0.000 0.508 252 E N 0.328 120.603 120.200 0.125 0.000 2.051 252 E HA -0.148 4.202 4.350 0.000 0.000 0.192 252 E C 2.341 178.975 176.600 0.057 0.000 0.991 252 E CA 1.194 57.639 56.400 0.075 0.000 0.799 252 E CB 0.096 29.828 29.700 0.054 0.000 0.748 252 E HN 0.205 nan 8.360 nan 0.000 0.449 253 V N 0.955 120.899 119.914 0.049 0.000 2.407 253 V HA -0.246 3.874 4.120 0.000 0.000 0.248 253 V C 2.336 178.453 176.094 0.038 0.000 1.055 253 V CA 1.785 64.106 62.300 0.035 0.000 1.049 253 V CB -0.422 31.417 31.823 0.026 0.000 0.662 253 V HN 0.127 nan 8.190 nan 0.000 0.455 254 R N 0.841 121.377 120.500 0.059 0.000 2.073 254 R HA -0.156 4.185 4.340 0.000 0.000 0.234 254 R C 2.286 178.610 176.300 0.040 0.000 1.134 254 R CA 1.916 58.050 56.100 0.057 0.000 0.952 254 R CB -0.529 29.829 30.300 0.095 0.000 0.850 254 R HN 0.480 nan 8.270 nan 0.000 0.433 255 K N -0.367 120.059 120.400 0.043 0.000 2.032 255 K HA -0.141 4.179 4.320 0.000 0.000 0.209 255 K C 1.846 178.460 176.600 0.023 0.000 1.048 255 K CA 1.780 58.083 56.287 0.027 0.000 0.927 255 K CB -0.197 32.321 32.500 0.030 0.000 0.712 255 K HN 0.075 nan 8.250 nan 0.000 0.441 256 I N 1.236 121.822 120.570 0.025 0.000 2.163 256 I HA -0.277 3.893 4.170 0.000 0.000 0.243 256 I C 1.960 178.085 176.117 0.013 0.000 1.085 256 I CA 1.035 62.347 61.300 0.021 0.000 1.347 256 I CB -0.447 37.567 38.000 0.023 0.000 1.044 256 I HN 0.179 nan 8.210 nan 0.000 0.408 257 L N 0.310 121.538 121.223 0.009 0.000 2.265 257 L HA 0.009 4.349 4.340 0.000 0.000 0.215 257 L C 1.736 178.608 176.870 0.003 0.000 1.117 257 L CA 1.288 56.128 54.840 -0.001 0.000 0.782 257 L CB -2.004 40.053 42.059 -0.003 0.000 0.914 257 L HN 0.463 nan 8.230 nan 0.000 0.441 258 G N -0.313 108.493 108.800 0.010 0.000 2.564 258 G HA2 -0.471 3.489 3.960 0.000 0.000 0.309 258 G HA3 -0.471 3.489 3.960 0.000 0.000 0.309 258 G C 0.991 175.895 174.900 0.006 0.000 1.320 258 G CA 0.833 45.938 45.100 0.009 0.000 0.941 258 G HN 0.314 nan 8.290 nan 0.000 0.543 259 E N -0.071 120.133 120.200 0.005 0.000 2.072 259 E HA -0.065 4.285 4.350 0.000 0.000 0.191 259 E C 2.428 179.030 176.600 0.003 0.000 0.985 259 E CA 2.131 58.534 56.400 0.005 0.000 0.801 259 E CB -0.257 29.445 29.700 0.004 0.000 0.750 259 E HN 0.564 nan 8.360 nan 0.000 0.452 260 K N -1.179 119.222 120.400 0.001 0.000 2.288 260 K HA -0.013 4.307 4.320 0.000 0.000 0.201 260 K C 1.317 177.912 176.600 -0.007 0.000 1.048 260 K CA 1.187 57.472 56.287 -0.004 0.000 0.956 260 K CB -0.122 32.374 32.500 -0.007 0.000 0.746 260 K HN 0.204 nan 8.250 nan 0.000 0.461 261 G N 1.127 109.923 108.800 -0.006 0.000 3.575 261 G HA2 -0.021 3.939 3.960 0.000 0.000 0.273 261 G HA3 -0.021 3.939 3.960 0.000 0.000 0.273 261 G C 0.790 175.692 174.900 0.002 0.000 1.053 261 G CA -0.340 44.754 45.100 -0.009 0.000 0.803 261 G HN 0.322 nan 8.290 nan 0.000 0.528 262 K N 0.571 120.976 120.400 0.008 0.000 2.107 262 K HA -0.212 4.108 4.320 0.000 0.000 0.211 262 K C 1.427 178.042 176.600 0.024 0.000 1.049 262 K CA 1.706 58.003 56.287 0.016 0.000 0.927 262 K CB -0.462 32.047 32.500 0.016 0.000 0.714 262 K HN 0.313 nan 8.250 nan 0.000 0.452 263 N N 0.576 119.291 118.700 0.024 0.000 2.521 263 N HA 0.110 4.850 4.740 0.000 0.000 0.188 263 N C -0.128 175.405 175.510 0.038 0.000 1.146 263 N CA -0.203 52.869 53.050 0.037 0.000 0.893 263 N CB 0.005 38.515 38.487 0.038 0.000 0.975 263 N HN 0.186 nan 8.380 nan 0.000 0.451 264 I N 2.078 122.661 120.570 0.021 0.000 2.452 264 I HA 0.015 4.186 4.170 0.000 0.000 0.287 264 I C 0.179 176.313 176.117 0.028 0.000 1.079 264 I CA -0.218 61.090 61.300 0.014 0.000 1.387 264 I CB 0.527 38.518 38.000 -0.014 0.000 1.404 264 I HN -0.138 nan 8.210 nan 0.000 0.522 265 K N 7.723 128.148 120.400 0.042 0.000 2.349 265 K HA 0.392 4.713 4.320 0.000 0.000 0.288 265 K C -0.287 176.345 176.600 0.054 0.000 1.058 265 K CA -0.124 56.197 56.287 0.056 0.000 0.953 265 K CB 0.807 33.352 32.500 0.075 0.000 0.997 265 K HN 0.519 nan 8.250 nan 0.000 0.477 266 I N 4.683 125.282 120.570 0.049 0.000 2.325 266 I HA 0.158 4.328 4.170 0.000 0.000 0.291 266 I C 0.142 176.297 176.117 0.062 0.000 1.019 266 I CA -0.608 60.724 61.300 0.054 0.000 1.302 266 I CB 0.707 38.726 38.000 0.033 0.000 1.401 266 I HN 0.186 nan 8.210 nan 0.000 0.485 267 I N 5.482 126.125 120.570 0.121 0.000 2.359 267 I HA 0.193 4.363 4.170 0.000 0.000 0.284 267 I C 0.306 176.446 176.117 0.038 0.000 1.018 267 I CA -0.211 61.136 61.300 0.078 0.000 1.173 267 I CB 1.020 39.104 38.000 0.140 0.000 1.326 267 I HN 0.453 nan 8.210 nan 0.000 0.462 268 S N 6.304 121.995 115.700 -0.015 0.000 2.510 268 S HA 0.236 4.706 4.470 0.000 0.000 0.279 268 S C 0.342 174.912 174.600 -0.051 0.000 1.284 268 S CA -0.390 57.794 58.200 -0.025 0.000 1.059 268 S CB 0.515 63.689 63.200 -0.044 0.000 0.901 268 S HN 0.363 nan 8.310 nan 0.000 0.491 269 K N 2.800 123.160 120.400 -0.065 0.000 2.258 269 K HA 0.335 4.655 4.320 0.000 0.000 0.284 269 K C -0.605 175.927 176.600 -0.113 0.000 1.051 269 K CA -0.442 55.771 56.287 -0.124 0.000 0.923 269 K CB 0.582 32.978 32.500 -0.174 0.000 1.046 269 K HN 0.385 nan 8.250 nan 0.000 0.474 270 I N 4.266 124.777 120.570 -0.098 0.000 2.307 270 I HA 0.071 4.242 4.170 0.000 0.000 0.289 270 I C 0.587 176.627 176.117 -0.128 0.000 1.021 270 I CA 0.000 61.260 61.300 -0.067 0.000 1.224 270 I CB 0.640 38.630 38.000 -0.017 0.000 1.376 270 I HN 0.787 nan 8.210 nan 0.000 0.470 271 E N 4.576 124.693 120.200 -0.139 0.000 3.067 271 E HA 0.226 4.576 4.350 0.000 0.000 0.188 271 E C -0.753 175.835 176.600 -0.020 0.000 0.964 271 E CA -0.572 55.736 56.400 -0.153 0.000 1.286 271 E CB 0.254 29.732 29.700 -0.370 0.000 1.051 271 E HN 0.662 nan 8.360 nan 0.000 0.465 272 N N -0.995 117.719 118.700 0.023 0.000 2.927 272 N HA 0.062 4.803 4.740 0.000 0.000 0.248 272 N C 0.193 175.745 175.510 0.071 0.000 1.443 272 N CA -0.792 52.310 53.050 0.087 0.000 0.870 272 N CB 0.539 39.124 38.487 0.164 0.000 1.444 272 N HN -0.087 nan 8.380 nan 0.000 0.519 273 H N -0.075 119.003 119.070 0.013 0.000 2.352 273 H HA -0.131 4.426 4.556 0.000 0.000 0.299 273 H C 1.146 176.480 175.328 0.010 0.000 1.097 273 H CA 2.572 58.621 56.048 0.001 0.000 1.311 273 H CB 0.237 29.998 29.762 -0.000 0.000 1.377 273 H HN 0.830 nan 8.280 nan 0.000 0.504 274 E N -0.126 120.197 120.200 0.205 0.000 2.049 274 E HA -0.122 4.229 4.350 0.000 0.000 0.198 274 E C 2.543 179.194 176.600 0.086 0.000 1.007 274 E CA 1.801 58.284 56.400 0.139 0.000 0.809 274 E CB -0.906 28.851 29.700 0.095 0.000 0.749 274 E HN 0.525 nan 8.360 nan 0.000 0.450 275 G N -0.176 108.665 108.800 0.068 0.000 2.450 275 G HA2 -0.224 3.736 3.960 0.000 0.000 0.220 275 G HA3 -0.224 3.736 3.960 0.000 0.000 0.220 275 G C 1.708 176.650 174.900 0.070 0.000 1.130 275 G CA 1.030 46.166 45.100 0.059 0.000 0.760 275 G HN 0.269 nan 8.290 nan 0.000 0.557 276 V N 0.273 120.185 119.914 -0.003 0.000 2.379 276 V HA -0.090 4.030 4.120 0.000 0.000 0.245 276 V C 2.752 178.834 176.094 -0.020 0.000 1.044 276 V CA 1.955 64.217 62.300 -0.063 0.000 1.036 276 V CB -0.415 31.272 31.823 -0.226 0.000 0.664 276 V HN 0.361 nan 8.190 nan 0.000 0.453 277 R N 0.213 120.699 120.500 -0.024 0.000 2.096 277 R HA -0.081 4.260 4.340 0.000 0.000 0.235 277 R C 1.870 178.206 176.300 0.059 0.000 1.127 277 R CA 1.179 57.295 56.100 0.027 0.000 0.968 277 R CB 0.023 30.386 30.300 0.104 0.000 0.861 277 R HN 0.376 nan 8.270 nan 0.000 0.440 278 R N -0.303 120.237 120.500 0.066 0.000 2.515 278 R HA 0.014 4.354 4.340 0.000 0.000 0.294 278 R C 1.157 177.481 176.300 0.040 0.000 1.021 278 R CA -0.167 55.958 56.100 0.042 0.000 1.081 278 R CB -0.074 30.237 30.300 0.017 0.000 1.263 278 R HN 0.207 nan 8.270 nan 0.000 0.557 279 F N 2.845 122.764 119.950 -0.052 0.000 2.087 279 F HA -0.293 4.234 4.527 0.000 0.000 0.299 279 F C 1.467 177.235 175.800 -0.054 0.000 1.100 279 F CA 1.899 59.862 58.000 -0.061 0.000 1.226 279 F CB 0.089 39.045 39.000 -0.074 0.000 0.983 279 F HN -0.010 nan 8.300 nan 0.000 0.479 280 D N 0.263 120.603 120.400 -0.099 0.000 2.116 280 D HA -0.259 4.381 4.640 0.000 0.000 0.193 280 D C 2.201 178.355 176.300 -0.244 0.000 0.998 280 D CA 1.972 55.860 54.000 -0.187 0.000 0.836 280 D CB -0.627 40.158 40.800 -0.024 0.000 0.951 280 D HN 0.720 nan 8.370 nan 0.000 0.449 281 E N 0.250 120.353 120.200 -0.162 0.000 2.204 281 E HA -0.105 4.245 4.350 0.000 0.000 0.194 281 E C 2.197 178.675 176.600 -0.203 0.000 0.989 281 E CA 0.596 56.911 56.400 -0.142 0.000 0.824 281 E CB -0.340 29.309 29.700 -0.085 0.000 0.756 281 E HN 0.290 nan 8.360 nan 0.000 0.477 282 I N 0.607 121.017 120.570 -0.267 0.000 2.286 282 I HA -0.177 3.993 4.170 0.000 0.000 0.245 282 I C 2.415 178.324 176.117 -0.345 0.000 1.104 282 I CA 0.458 61.590 61.300 -0.281 0.000 1.397 282 I CB -0.116 37.739 38.000 -0.242 0.000 1.072 282 I HN 0.181 nan 8.210 nan 0.000 0.417 283 L N 0.757 121.643 121.223 -0.563 0.000 2.083 283 L HA -0.198 4.143 4.340 0.000 0.000 0.209 283 L C 2.413 179.127 176.870 -0.261 0.000 1.083 283 L CA 1.902 56.437 54.840 -0.509 0.000 0.752 283 L CB -0.780 40.817 42.059 -0.769 0.000 0.899 283 L HN 0.170 nan 8.230 nan 0.000 0.433 284 E N 0.110 120.178 120.200 -0.219 0.000 2.077 284 E HA -0.188 4.162 4.350 0.000 0.000 0.193 284 E C 2.021 178.578 176.600 -0.072 0.000 0.989 284 E CA 1.420 57.752 56.400 -0.114 0.000 0.800 284 E CB -0.114 29.536 29.700 -0.083 0.000 0.746 284 E HN 0.611 nan 8.360 nan 0.000 0.452 285 A N 0.262 123.021 122.820 -0.102 0.000 2.067 285 A HA 0.048 4.368 4.320 0.000 0.000 0.217 285 A C 1.459 179.012 177.584 -0.051 0.000 1.156 285 A CA 0.400 52.400 52.037 -0.062 0.000 0.683 285 A CB 0.073 18.928 19.000 -0.241 0.000 0.808 285 A HN 0.149 nan 8.150 nan 0.000 0.455 286 S N -0.100 115.547 115.700 -0.089 0.000 2.707 286 S HA 0.318 4.788 4.470 0.000 0.000 0.276 286 S C 0.033 174.612 174.600 -0.036 0.000 1.179 286 S CA -0.482 57.682 58.200 -0.060 0.000 0.992 286 S CB 0.885 64.033 63.200 -0.086 0.000 1.030 286 S HN 0.394 nan 8.310 nan 0.000 0.554 287 D N 0.068 120.458 120.400 -0.017 0.000 2.355 287 D HA 0.266 4.907 4.640 0.000 0.000 0.206 287 D C 0.747 177.019 176.300 -0.046 0.000 1.010 287 D CA 0.483 54.481 54.000 -0.004 0.000 0.875 287 D CB 0.538 41.353 40.800 0.026 0.000 0.966 287 D HN 0.614 nan 8.370 nan 0.000 0.512 288 G N 0.045 108.811 108.800 -0.057 0.000 2.559 288 G HA2 0.499 4.459 3.960 0.000 0.000 0.291 288 G HA3 0.499 4.459 3.960 0.000 0.000 0.291 288 G C -1.739 173.119 174.900 -0.070 0.000 1.424 288 G CA -0.485 44.561 45.100 -0.089 0.000 0.786 288 G HN -0.104 nan 8.290 nan 0.000 0.485 289 I N 0.501 121.030 120.570 -0.068 0.000 2.730 289 I HA 0.562 4.732 4.170 0.000 0.000 0.298 289 I C -0.456 175.594 176.117 -0.113 0.000 1.089 289 I CA -0.810 60.470 61.300 -0.033 0.000 1.041 289 I CB 2.061 40.141 38.000 0.133 0.000 1.235 289 I HN 0.592 nan 8.210 nan 0.000 0.423 290 M N 5.531 125.045 119.600 -0.144 0.000 2.190 290 M HA 0.445 4.925 4.480 0.000 0.000 0.312 290 M C -1.496 174.707 176.300 -0.162 0.000 0.990 290 M CA -0.715 54.453 55.300 -0.222 0.000 0.927 290 M CB 1.699 34.078 32.600 -0.369 0.000 1.571 290 M HN 0.258 nan 8.290 nan 0.000 0.427 291 V N 5.079 124.902 119.914 -0.152 0.000 2.313 291 V HA 0.277 4.397 4.120 0.000 0.000 0.252 291 V C 0.708 176.721 176.094 -0.135 0.000 1.112 291 V CA -0.396 61.821 62.300 -0.139 0.000 0.984 291 V CB 0.064 31.806 31.823 -0.134 0.000 1.157 291 V HN 0.881 nan 8.190 nan 0.000 0.493 292 A N 5.247 127.978 122.820 -0.148 0.000 3.037 292 A HA 0.280 4.601 4.320 0.000 0.000 0.272 292 A C 1.595 179.109 177.584 -0.116 0.000 1.723 292 A CA -0.354 51.595 52.037 -0.145 0.000 1.413 292 A CB -0.494 18.383 19.000 -0.205 0.000 1.112 292 A HN 0.863 nan 8.150 nan 0.000 0.606 293 R N 0.954 121.401 120.500 -0.087 0.000 2.154 293 R HA -0.190 4.150 4.340 0.000 0.000 0.248 293 R C 2.238 178.510 176.300 -0.047 0.000 1.155 293 R CA 1.605 57.667 56.100 -0.063 0.000 0.979 293 R CB -0.326 29.948 30.300 -0.044 0.000 0.869 293 R HN 0.666 nan 8.270 nan 0.000 0.452 294 G N 1.374 110.150 108.800 -0.041 0.000 2.639 294 G HA2 -0.298 3.663 3.960 0.000 0.000 0.216 294 G HA3 -0.298 3.663 3.960 0.000 0.000 0.216 294 G C 0.962 175.853 174.900 -0.014 0.000 1.267 294 G CA 1.255 46.345 45.100 -0.017 0.000 0.801 294 G HN 0.226 nan 8.290 nan 0.000 0.592 295 D N 0.017 120.405 120.400 -0.021 0.000 2.178 295 D HA -0.062 4.578 4.640 0.000 0.000 0.202 295 D C 2.466 178.764 176.300 -0.004 0.000 0.974 295 D CA 0.527 54.541 54.000 0.024 0.000 0.841 295 D CB -0.117 40.720 40.800 0.062 0.000 0.953 295 D HN 0.178 nan 8.370 nan 0.000 0.478 296 L N 1.258 122.451 121.223 -0.049 0.000 2.042 296 L HA -0.034 4.306 4.340 0.000 0.000 0.210 296 L C 2.194 179.036 176.870 -0.047 0.000 1.076 296 L CA 1.918 56.727 54.840 -0.052 0.000 0.749 296 L CB -0.988 41.022 42.059 -0.082 0.000 0.893 296 L HN 0.006 nan 8.230 nan 0.000 0.432 297 G N -1.059 107.713 108.800 -0.046 0.000 2.625 297 G HA2 -0.123 3.838 3.960 0.000 0.000 0.214 297 G HA3 -0.123 3.838 3.960 0.000 0.000 0.214 297 G C 1.446 176.299 174.900 -0.077 0.000 1.132 297 G CA 1.003 46.075 45.100 -0.046 0.000 0.782 297 G HN 0.508 nan 8.290 nan 0.000 0.538 298 I N -0.757 119.758 120.570 -0.091 0.000 2.947 298 I HA 0.082 4.252 4.170 0.000 0.000 0.263 298 I C 2.249 178.252 176.117 -0.190 0.000 1.130 298 I CA 0.064 61.251 61.300 -0.189 0.000 1.448 298 I CB -0.065 37.849 38.000 -0.142 0.000 1.222 298 I HN -0.037 nan 8.210 nan 0.000 0.453 299 E N 1.931 122.091 120.200 -0.068 0.000 2.171 299 E HA -0.110 4.240 4.350 0.000 0.000 0.197 299 E C 0.707 177.306 176.600 -0.000 0.000 0.997 299 E CA 1.130 57.524 56.400 -0.010 0.000 0.810 299 E CB -0.098 29.636 29.700 0.056 0.000 0.738 299 E HN 0.580 nan 8.360 nan 0.000 0.467 300 I N -3.448 117.112 120.570 -0.017 0.000 2.934 300 I HA 0.457 4.627 4.170 0.000 0.000 0.306 300 I C -2.777 173.326 176.117 -0.024 0.000 1.110 300 I CA -3.079 58.229 61.300 0.012 0.000 1.019 300 I CB 2.280 40.294 38.000 0.024 0.000 1.227 300 I HN -0.375 nan 8.210 nan 0.000 0.434 301 P HA -0.019 nan 4.420 nan 0.000 0.263 301 P C 0.459 177.759 177.300 0.001 0.000 1.175 301 P CA 0.425 63.525 63.100 0.001 0.000 0.761 301 P CB 0.846 32.562 31.700 0.025 0.000 0.794 302 A N 4.429 127.249 122.820 -0.000 0.000 1.908 302 A HA -0.246 4.074 4.320 0.000 0.000 0.218 302 A C 1.667 179.286 177.584 0.059 0.000 1.181 302 A CA 1.809 53.854 52.037 0.014 0.000 0.627 302 A CB -1.049 17.956 19.000 0.009 0.000 0.818 302 A HN 0.615 nan 8.150 nan 0.000 0.445 303 E N 0.301 120.546 120.200 0.074 0.000 2.396 303 E HA -0.139 4.211 4.350 0.000 0.000 0.200 303 E C 1.513 178.271 176.600 0.262 0.000 1.023 303 E CA 1.368 57.852 56.400 0.141 0.000 0.857 303 E CB -0.179 29.585 29.700 0.107 0.000 0.775 303 E HN 0.689 nan 8.360 nan 0.000 0.525 304 K N -0.016 120.455 120.400 0.119 0.000 2.361 304 K HA 0.128 4.448 4.320 0.000 0.000 0.194 304 K C 1.664 178.198 176.600 -0.110 0.000 1.032 304 K CA 0.073 56.352 56.287 -0.013 0.000 1.048 304 K CB 0.480 32.945 32.500 -0.059 0.000 0.842 304 K HN -0.049 nan 8.250 nan 0.000 0.526 305 V N 2.192 122.106 119.914 0.000 0.000 2.252 305 V HA -0.319 3.801 4.120 0.000 0.000 0.249 305 V C 2.131 178.182 176.094 -0.071 0.000 1.056 305 V CA 2.268 64.543 62.300 -0.041 0.000 1.022 305 V CB -0.726 31.101 31.823 0.006 0.000 0.641 305 V HN 0.392 nan 8.190 nan 0.000 0.445 306 F N 0.136 120.046 119.950 -0.066 0.000 2.184 306 F HA -0.211 4.316 4.527 0.000 0.000 0.301 306 F C 1.917 177.671 175.800 -0.077 0.000 1.076 306 F CA 1.693 59.653 58.000 -0.066 0.000 1.295 306 F CB -0.890 38.080 39.000 -0.050 0.000 1.026 306 F HN 0.105 nan 8.300 nan 0.000 0.494 307 L N 0.733 121.298 121.223 -1.097 0.000 2.023 307 L HA -0.074 4.266 4.340 0.000 0.000 0.205 307 L C 3.069 179.672 176.870 -0.446 0.000 1.073 307 L CA 1.155 55.466 54.840 -0.883 0.000 0.745 307 L CB -1.236 40.338 42.059 -0.808 0.000 0.900 307 L HN 0.325 nan 8.230 nan 0.000 0.435 308 A N -0.509 122.094 122.820 -0.362 0.000 1.902 308 A HA -0.280 4.040 4.320 0.000 0.000 0.217 308 A C 2.264 179.678 177.584 -0.283 0.000 1.181 308 A CA 1.873 53.727 52.037 -0.304 0.000 0.623 308 A CB -0.613 18.231 19.000 -0.260 0.000 0.818 308 A HN 0.507 nan 8.150 nan 0.000 0.443 309 Q N -0.097 119.573 119.800 -0.217 0.000 2.030 309 Q HA -0.234 4.106 4.340 0.000 0.000 0.204 309 Q C 1.986 177.886 176.000 -0.167 0.000 0.986 309 Q CA 2.078 57.782 55.803 -0.166 0.000 0.843 309 Q CB -0.173 28.514 28.738 -0.085 0.000 0.904 309 Q HN 0.677 nan 8.270 nan 0.000 0.420 310 K N 0.012 120.324 120.400 -0.146 0.000 2.097 310 K HA -0.143 4.177 4.320 0.000 0.000 0.206 310 K C 2.207 178.711 176.600 -0.160 0.000 1.049 310 K CA 1.393 57.611 56.287 -0.116 0.000 0.933 310 K CB -0.237 32.219 32.500 -0.074 0.000 0.717 310 K HN 0.354 nan 8.250 nan 0.000 0.442 311 M N 1.193 120.659 119.600 -0.223 0.000 2.086 311 M HA -0.172 4.308 4.480 0.000 0.000 0.261 311 M C 2.003 178.113 176.300 -0.317 0.000 1.067 311 M CA 1.766 56.919 55.300 -0.245 0.000 1.116 311 M CB -0.226 32.206 32.600 -0.280 0.000 1.348 311 M HN 0.126 nan 8.290 nan 0.000 0.407 312 I N 0.285 120.586 120.570 -0.449 0.000 2.179 312 I HA -0.339 3.831 4.170 0.000 0.000 0.242 312 I C 2.388 178.336 176.117 -0.280 0.000 1.088 312 I CA 1.227 62.148 61.300 -0.631 0.000 1.357 312 I CB -0.393 37.218 38.000 -0.647 0.000 1.051 312 I HN 0.305 nan 8.210 nan 0.000 0.409 313 I N 0.624 121.083 120.570 -0.184 0.000 2.286 313 I HA -0.215 3.955 4.170 0.000 0.000 0.248 313 I C 2.647 178.726 176.117 -0.064 0.000 1.115 313 I CA 1.515 62.758 61.300 -0.096 0.000 1.392 313 I CB -0.877 37.078 38.000 -0.075 0.000 1.065 313 I HN 0.285 nan 8.210 nan 0.000 0.418 314 G N 0.813 109.566 108.800 -0.080 0.000 2.433 314 G HA2 -0.231 3.729 3.960 0.000 0.000 0.216 314 G HA3 -0.231 3.729 3.960 0.000 0.000 0.216 314 G C 1.791 176.679 174.900 -0.020 0.000 1.186 314 G CA 0.433 45.504 45.100 -0.048 0.000 0.779 314 G HN 0.287 nan 8.290 nan 0.000 0.543 315 R N -0.686 119.808 120.500 -0.009 0.000 2.115 315 R HA -0.031 4.309 4.340 0.000 0.000 0.230 315 R C 2.640 179.007 176.300 0.112 0.000 1.111 315 R CA 1.065 57.215 56.100 0.083 0.000 0.976 315 R CB -0.586 29.843 30.300 0.216 0.000 0.870 315 R HN 0.387 nan 8.270 nan 0.000 0.445 316 C N 0.483 119.848 119.300 0.107 0.000 2.446 316 C HA -0.034 4.426 4.460 0.000 0.000 0.277 316 C C 2.213 177.210 174.990 0.012 0.000 1.275 316 C CA 0.596 59.661 59.018 0.079 0.000 1.727 316 C CB -1.148 26.631 27.740 0.065 0.000 2.010 316 C HN 0.568 nan 8.230 nan 0.000 0.486 317 N N 0.277 118.974 118.700 -0.004 0.000 2.043 317 N HA -0.193 4.547 4.740 0.000 0.000 0.193 317 N C 2.096 177.581 175.510 -0.042 0.000 1.037 317 N CA 0.959 53.994 53.050 -0.025 0.000 0.851 317 N CB -0.316 38.161 38.487 -0.016 0.000 1.027 317 N HN 0.484 nan 8.380 nan 0.000 0.422 318 R N 1.216 121.703 120.500 -0.022 0.000 2.105 318 R HA -0.107 4.233 4.340 0.000 0.000 0.239 318 R C 1.837 178.120 176.300 -0.029 0.000 1.135 318 R CA 1.506 57.590 56.100 -0.025 0.000 0.967 318 R CB -0.141 30.157 30.300 -0.003 0.000 0.861 318 R HN 0.196 nan 8.270 nan 0.000 0.442 319 A N -0.628 122.185 122.820 -0.012 0.000 2.072 319 A HA 0.177 4.497 4.320 0.000 0.000 0.216 319 A C 1.509 179.080 177.584 -0.022 0.000 1.156 319 A CA 1.026 53.056 52.037 -0.013 0.000 0.701 319 A CB -0.065 18.932 19.000 -0.004 0.000 0.816 319 A HN 0.575 nan 8.150 nan 0.000 0.458 320 G N -0.925 107.854 108.800 -0.035 0.000 2.141 320 G HA2 -0.217 3.743 3.960 0.000 0.000 0.242 320 G HA3 -0.217 3.743 3.960 0.000 0.000 0.242 320 G C 0.032 174.948 174.900 0.027 0.000 0.982 320 G CA 0.401 45.487 45.100 -0.023 0.000 0.662 320 G HN 0.570 nan 8.290 nan 0.000 0.527 321 K N 0.766 121.158 120.400 -0.013 0.000 2.164 321 K HA 0.506 4.826 4.320 0.000 0.000 0.258 321 K C -2.615 173.900 176.600 -0.141 0.000 0.951 321 K CA -2.155 54.098 56.287 -0.056 0.000 0.844 321 K CB 1.817 34.289 32.500 -0.047 0.000 1.099 321 K HN -0.042 nan 8.250 nan 0.000 0.435 322 P HA -0.049 nan 4.420 nan 0.000 0.266 322 P C -1.001 176.185 177.300 -0.190 0.000 1.195 322 P CA -0.217 62.672 63.100 -0.350 0.000 0.768 322 P CB 0.601 31.957 31.700 -0.574 0.000 0.838 323 V N 5.123 124.948 119.914 -0.148 0.000 2.709 323 V HA 0.510 4.630 4.120 0.000 0.000 0.308 323 V C -0.838 175.181 176.094 -0.125 0.000 1.062 323 V CA -0.818 61.416 62.300 -0.111 0.000 0.901 323 V CB 1.418 33.202 31.823 -0.065 0.000 1.003 323 V HN 0.300 nan 8.190 nan 0.000 0.425 324 I N 5.896 126.373 120.570 -0.154 0.000 2.441 324 I HA 0.469 4.639 4.170 0.000 0.000 0.295 324 I C -0.345 175.686 176.117 -0.143 0.000 0.994 324 I CA -0.469 60.733 61.300 -0.164 0.000 1.144 324 I CB 1.732 39.574 38.000 -0.263 0.000 1.314 324 I HN 0.613 nan 8.210 nan 0.000 0.445 325 C N 6.249 125.485 119.300 -0.106 0.000 2.295 325 C HA 0.895 5.355 4.460 0.000 0.000 0.331 325 C C 0.333 175.275 174.990 -0.080 0.000 1.280 325 C CA 0.008 58.974 59.018 -0.086 0.000 1.746 325 C CB -0.376 27.330 27.740 -0.057 0.000 2.328 325 C HN 0.907 nan 8.230 nan 0.000 0.521 326 A N 4.153 126.924 122.820 -0.082 0.000 2.532 326 A HA 0.947 5.267 4.320 0.000 0.000 0.290 326 A C -0.132 177.428 177.584 -0.039 0.000 1.143 326 A CA -0.158 51.842 52.037 -0.062 0.000 0.728 326 A CB 0.907 19.854 19.000 -0.087 0.000 1.317 326 A HN 1.484 nan 8.150 nan 0.000 0.414 327 T N 1.190 115.734 114.554 -0.016 0.000 0.618 327 T HA -0.089 4.261 4.350 0.000 0.000 0.766 327 T C 0.111 174.814 174.700 0.005 0.000 0.991 327 T CA 0.886 62.986 62.100 -0.001 0.000 4.037 327 T CB -1.455 67.407 68.868 -0.011 0.000 2.281 327 T HN 1.553 nan 8.240 nan 0.000 0.395 328 Q N -0.118 119.692 119.800 0.018 0.000 2.452 328 Q HA -0.292 4.048 4.340 0.000 0.000 0.248 328 Q C 1.606 177.615 176.000 0.016 0.000 0.874 328 Q CA 1.615 57.430 55.803 0.020 0.000 1.208 328 Q CB -1.321 27.428 28.738 0.018 0.000 1.569 328 Q HN 0.861 nan 8.270 nan 0.000 0.579 329 M N -0.620 118.988 119.600 0.013 0.000 2.106 329 M HA -0.176 4.304 4.480 0.000 0.000 0.259 329 M C 0.867 177.175 176.300 0.014 0.000 1.068 329 M CA 1.521 56.827 55.300 0.010 0.000 1.100 329 M CB -0.023 32.581 32.600 0.007 0.000 1.351 329 M HN 0.148 nan 8.290 nan 0.000 0.404 330 L N -0.582 120.653 121.223 0.021 0.000 3.288 330 L HA 0.176 4.516 4.340 0.000 0.000 0.293 330 L C 1.252 178.141 176.870 0.032 0.000 1.294 330 L CA 0.235 55.089 54.840 0.024 0.000 1.006 330 L CB -0.115 41.962 42.059 0.029 0.000 1.407 330 L HN 0.051 nan 8.230 nan 0.000 0.592 331 E N 1.010 121.229 120.200 0.030 0.000 2.095 331 E HA -0.321 4.029 4.350 0.000 0.000 0.212 331 E C 2.248 178.873 176.600 0.042 0.000 1.044 331 E CA 2.271 58.693 56.400 0.037 0.000 0.857 331 E CB -0.016 29.703 29.700 0.031 0.000 0.764 331 E HN 0.452 nan 8.360 nan 0.000 0.462 332 S N -0.590 115.130 115.700 0.034 0.000 2.462 332 S HA -0.210 4.260 4.470 0.000 0.000 0.243 332 S C 1.843 176.473 174.600 0.050 0.000 1.003 332 S CA 1.516 59.737 58.200 0.035 0.000 0.970 332 S CB -0.456 62.755 63.200 0.019 0.000 0.762 332 S HN 0.383 nan 8.310 nan 0.000 0.510 333 M N 0.463 120.097 119.600 0.055 0.000 2.659 333 M HA 0.227 4.707 4.480 0.000 0.000 0.243 333 M C 1.362 177.768 176.300 0.177 0.000 1.111 333 M CA 0.457 55.810 55.300 0.087 0.000 1.070 333 M CB -0.418 32.220 32.600 0.064 0.000 1.525 333 M HN 0.386 nan 8.290 nan 0.000 0.517 334 I N 0.140 120.786 120.570 0.127 0.000 2.394 334 I HA -0.241 3.929 4.170 0.000 0.000 0.251 334 I C 1.940 178.143 176.117 0.143 0.000 1.136 334 I CA 1.056 62.425 61.300 0.116 0.000 1.425 334 I CB -0.179 37.863 38.000 0.070 0.000 1.079 334 I HN 0.230 nan 8.210 nan 0.000 0.425 335 K N 0.296 120.798 120.400 0.171 0.000 2.412 335 K HA 0.303 4.624 4.320 0.000 0.000 0.202 335 K C 0.154 176.943 176.600 0.315 0.000 1.102 335 K CA 0.273 56.673 56.287 0.189 0.000 1.027 335 K CB 0.804 33.364 32.500 0.101 0.000 0.931 335 K HN 0.208 nan 8.250 nan 0.000 0.557 336 K N 1.037 121.574 120.400 0.229 0.000 2.340 336 K HA 0.266 4.586 4.320 0.000 0.000 0.244 336 K C -2.101 174.225 176.600 -0.457 0.000 0.973 336 K CA -1.954 54.331 56.287 -0.004 0.000 0.828 336 K CB 2.279 34.759 32.500 -0.034 0.000 1.226 336 K HN -0.297 nan 8.250 nan 0.000 0.437 337 P HA -0.040 nan 4.420 nan 0.000 0.231 337 P C -0.449 176.612 177.300 -0.398 0.000 1.168 337 P CA 0.773 63.252 63.100 -1.035 0.000 0.779 337 P CB 0.649 31.843 31.700 -0.843 0.000 0.844 338 R N 0.712 121.067 120.500 -0.242 0.000 2.686 338 R HA 0.467 4.807 4.340 0.000 0.000 0.286 338 R C -2.470 173.783 176.300 -0.078 0.000 0.969 338 R CA -2.247 53.778 56.100 -0.124 0.000 0.898 338 R CB 1.682 31.925 30.300 -0.094 0.000 1.183 338 R HN 0.045 nan 8.270 nan 0.000 0.456 339 P HA 0.028 nan 4.420 nan 0.000 0.274 339 P C -0.226 177.062 177.300 -0.020 0.000 1.256 339 P CA -0.249 62.837 63.100 -0.023 0.000 0.795 339 P CB 0.667 32.361 31.700 -0.011 0.000 1.038 340 T N -1.281 113.266 114.554 -0.012 0.000 2.899 340 T HA 0.230 4.580 4.350 0.000 0.000 0.284 340 T C 1.501 176.193 174.700 -0.012 0.000 1.004 340 T CA -0.759 61.334 62.100 -0.011 0.000 1.043 340 T CB 0.613 69.477 68.868 -0.006 0.000 1.013 340 T HN 0.185 nan 8.240 nan 0.000 0.518 341 R N 1.337 121.829 120.500 -0.013 0.000 2.139 341 R HA -0.080 4.260 4.340 0.000 0.000 0.243 341 R C 2.542 178.833 176.300 -0.015 0.000 1.145 341 R CA 1.609 57.700 56.100 -0.015 0.000 0.976 341 R CB -1.720 28.571 30.300 -0.016 0.000 0.866 341 R HN 0.868 nan 8.270 nan 0.000 0.449 342 A N 1.386 124.198 122.820 -0.014 0.000 1.897 342 A HA -0.137 4.184 4.320 0.000 0.000 0.215 342 A C 2.027 179.604 177.584 -0.012 0.000 1.181 342 A CA 1.142 53.169 52.037 -0.016 0.000 0.620 342 A CB -0.257 18.733 19.000 -0.016 0.000 0.821 342 A HN 0.375 nan 8.150 nan 0.000 0.443 343 E N -0.420 119.776 120.200 -0.007 0.000 2.110 343 E HA -0.108 4.242 4.350 0.000 0.000 0.193 343 E C 2.073 178.671 176.600 -0.003 0.000 0.988 343 E CA 0.771 57.170 56.400 -0.003 0.000 0.804 343 E CB -0.356 29.345 29.700 0.002 0.000 0.745 343 E HN 0.596 nan 8.360 nan 0.000 0.458 344 G N 0.901 109.697 108.800 -0.006 0.000 2.402 344 G HA2 -0.299 3.661 3.960 0.000 0.000 0.216 344 G HA3 -0.299 3.661 3.960 0.000 0.000 0.216 344 G C 1.647 176.542 174.900 -0.008 0.000 1.162 344 G CA 0.873 45.969 45.100 -0.006 0.000 0.777 344 G HN 0.276 nan 8.290 nan 0.000 0.539 345 S N 0.367 116.060 115.700 -0.011 0.000 2.368 345 S HA -0.172 4.298 4.470 0.000 0.000 0.225 345 S C 2.079 176.674 174.600 -0.009 0.000 1.030 345 S CA 1.986 60.178 58.200 -0.013 0.000 0.999 345 S CB -0.459 62.730 63.200 -0.019 0.000 0.844 345 S HN 0.407 nan 8.310 nan 0.000 0.459 346 D N 0.320 120.715 120.400 -0.008 0.000 2.104 346 D HA -0.105 4.535 4.640 0.000 0.000 0.194 346 D C 1.900 178.199 176.300 -0.001 0.000 0.994 346 D CA 1.601 55.598 54.000 -0.004 0.000 0.830 346 D CB -0.380 40.418 40.800 -0.003 0.000 0.959 346 D HN 0.295 nan 8.370 nan 0.000 0.452 347 V N 0.707 120.621 119.914 -0.001 0.000 2.295 347 V HA -0.235 3.885 4.120 0.000 0.000 0.246 347 V C 2.585 178.679 176.094 0.000 0.000 1.049 347 V CA 1.882 64.182 62.300 0.000 0.000 1.024 347 V CB -1.033 30.791 31.823 0.002 0.000 0.648 347 V HN 0.356 nan 8.190 nan 0.000 0.447 348 A N 0.421 123.240 122.820 -0.001 0.000 1.883 348 A HA -0.262 4.058 4.320 0.000 0.000 0.217 348 A C 2.056 179.645 177.584 0.008 0.000 1.186 348 A CA 2.179 54.217 52.037 0.001 0.000 0.624 348 A CB -0.725 18.273 19.000 -0.003 0.000 0.822 348 A HN 0.613 nan 8.150 nan 0.000 0.444 349 N N 0.127 118.831 118.700 0.007 0.000 2.309 349 N HA -0.062 4.678 4.740 0.000 0.000 0.182 349 N C 1.831 177.350 175.510 0.016 0.000 1.018 349 N CA 1.246 54.306 53.050 0.015 0.000 0.876 349 N CB -0.370 38.125 38.487 0.013 0.000 0.972 349 N HN 0.514 nan 8.380 nan 0.000 0.434 350 A N 0.754 123.579 122.820 0.007 0.000 1.872 350 A HA -0.038 4.282 4.320 0.000 0.000 0.214 350 A C 2.471 180.056 177.584 0.003 0.000 1.187 350 A CA 1.011 53.048 52.037 0.000 0.000 0.614 350 A CB -0.622 18.374 19.000 -0.008 0.000 0.826 350 A HN 0.082 nan 8.150 nan 0.000 0.442 351 V N 0.298 120.216 119.914 0.007 0.000 2.427 351 V HA -0.227 3.893 4.120 0.000 0.000 0.248 351 V C 2.511 178.618 176.094 0.022 0.000 1.051 351 V CA 1.779 64.087 62.300 0.013 0.000 1.048 351 V CB -0.795 31.036 31.823 0.014 0.000 0.666 351 V HN 0.539 nan 8.190 nan 0.000 0.456 352 L N -0.406 120.833 121.223 0.026 0.000 2.109 352 L HA -0.124 4.217 4.340 0.000 0.000 0.207 352 L C 2.321 179.217 176.870 0.044 0.000 1.086 352 L CA 1.300 56.164 54.840 0.040 0.000 0.760 352 L CB -0.749 41.342 42.059 0.053 0.000 0.910 352 L HN 0.311 nan 8.230 nan 0.000 0.437 353 D N 0.247 120.666 120.400 0.032 0.000 2.265 353 D HA -0.120 4.520 4.640 0.000 0.000 0.208 353 D C 1.639 177.948 176.300 0.015 0.000 0.977 353 D CA 1.547 55.561 54.000 0.024 0.000 0.871 353 D CB 0.134 40.938 40.800 0.006 0.000 0.925 353 D HN 0.502 nan 8.370 nan 0.000 0.485 354 G N -0.412 108.397 108.800 0.014 0.000 2.183 354 G HA2 -0.100 3.861 3.960 0.000 0.000 0.168 354 G HA3 -0.100 3.861 3.960 0.000 0.000 0.168 354 G C 0.422 175.320 174.900 -0.002 0.000 1.008 354 G CA 0.104 45.211 45.100 0.012 0.000 0.677 354 G HN 0.555 nan 8.290 nan 0.000 0.498 355 A N 0.465 123.279 122.820 -0.011 0.000 2.546 355 A HA 0.451 4.771 4.320 0.000 0.000 0.243 355 A C 1.228 178.800 177.584 -0.020 0.000 1.063 355 A CA 1.095 53.116 52.037 -0.027 0.000 0.757 355 A CB 0.221 19.203 19.000 -0.031 0.000 0.991 355 A HN 0.281 nan 8.150 nan 0.000 0.503 356 D N 0.538 120.914 120.400 -0.040 0.000 2.162 356 D HA 0.022 4.662 4.640 0.000 0.000 0.203 356 D C 0.051 176.338 176.300 -0.022 0.000 0.967 356 D CA 1.239 55.220 54.000 -0.033 0.000 0.840 356 D CB 0.166 40.911 40.800 -0.091 0.000 0.972 356 D HN 0.558 nan 8.370 nan 0.000 0.482 357 C N 0.698 119.973 119.300 -0.042 0.000 2.888 357 C HA 0.585 5.046 4.460 0.000 0.000 0.308 357 C C -0.281 174.686 174.990 -0.038 0.000 1.213 357 C CA -1.105 57.895 59.018 -0.029 0.000 1.461 357 C CB 1.904 29.623 27.740 -0.036 0.000 1.934 357 C HN 0.161 nan 8.230 nan 0.000 0.474 358 I N 0.393 120.951 120.570 -0.019 0.000 2.530 358 I HA 0.749 4.920 4.170 0.000 0.000 0.297 358 I C -0.687 175.424 176.117 -0.010 0.000 1.011 358 I CA -0.718 60.571 61.300 -0.019 0.000 1.107 358 I CB 1.596 39.593 38.000 -0.005 0.000 1.285 358 I HN 0.717 nan 8.210 nan 0.000 0.436 359 M N 5.703 125.295 119.600 -0.014 0.000 2.644 359 M HA 0.638 5.118 4.480 0.000 0.000 0.316 359 M C -1.900 174.413 176.300 0.022 0.000 1.200 359 M CA -0.836 54.468 55.300 0.007 0.000 0.944 359 M CB 2.365 34.959 32.600 -0.010 0.000 1.691 359 M HN 0.666 nan 8.290 nan 0.000 0.471 360 L N 2.703 123.951 121.223 0.042 0.000 2.404 360 L HA 0.484 4.825 4.340 0.000 0.000 0.272 360 L C -1.005 175.903 176.870 0.063 0.000 0.980 360 L CA -0.478 54.391 54.840 0.048 0.000 0.836 360 L CB 2.125 44.214 42.059 0.050 0.000 1.238 360 L HN 0.808 nan 8.230 nan 0.000 0.408 361 S N 0.896 116.634 115.700 0.063 0.000 2.652 361 S HA 0.768 5.238 4.470 0.000 0.000 0.252 361 S C 0.329 174.973 174.600 0.072 0.000 1.219 361 S CA 0.061 58.308 58.200 0.078 0.000 1.151 361 S CB 1.647 64.898 63.200 0.085 0.000 1.080 361 S HN 1.018 nan 8.310 nan 0.000 0.481 362 G N 3.466 112.309 108.800 0.072 0.000 2.612 362 G HA2 -0.226 3.734 3.960 0.000 0.000 0.200 362 G HA3 -0.226 3.734 3.960 0.000 0.000 0.200 362 G C 0.557 175.492 174.900 0.058 0.000 1.053 362 G CA 0.124 45.262 45.100 0.063 0.000 0.707 362 G HN 0.580 nan 8.290 nan 0.000 0.497 363 E N 0.493 120.729 120.200 0.061 0.000 2.347 363 E HA 0.206 4.556 4.350 0.000 0.000 0.196 363 E C 2.172 178.812 176.600 0.067 0.000 1.008 363 E CA 1.615 58.056 56.400 0.068 0.000 0.852 363 E CB 0.031 29.771 29.700 0.066 0.000 0.783 363 E HN 0.479 nan 8.360 nan 0.000 0.505 364 T N -1.036 113.555 114.554 0.062 0.000 3.019 364 T HA 0.246 4.596 4.350 0.000 0.000 0.247 364 T C 1.737 176.471 174.700 0.057 0.000 0.992 364 T CA 0.367 62.502 62.100 0.059 0.000 1.036 364 T CB 0.160 69.065 68.868 0.060 0.000 1.063 364 T HN 0.184 nan 8.240 nan 0.000 0.476 365 A N 2.415 125.275 122.820 0.066 0.000 1.855 365 A HA -0.030 4.291 4.320 0.000 0.000 0.215 365 A C 1.623 179.239 177.584 0.053 0.000 1.191 365 A CA 1.800 53.880 52.037 0.072 0.000 0.613 365 A CB -0.173 18.880 19.000 0.089 0.000 0.829 365 A HN 0.502 nan 8.150 nan 0.000 0.442 366 K N -1.174 119.250 120.400 0.040 0.000 2.895 366 K HA 0.423 4.743 4.320 0.000 0.000 0.200 366 K C 0.223 176.827 176.600 0.007 0.000 1.133 366 K CA 0.358 56.656 56.287 0.019 0.000 1.060 366 K CB -0.441 32.066 32.500 0.011 0.000 0.735 366 K HN 0.293 nan 8.250 nan 0.000 0.451 367 G N -0.152 108.655 108.800 0.013 0.000 2.502 367 G HA2 0.243 4.203 3.960 0.000 0.000 0.305 367 G HA3 0.243 4.203 3.960 0.000 0.000 0.305 367 G C -0.387 174.479 174.900 -0.057 0.000 1.190 367 G CA -0.605 44.498 45.100 0.006 0.000 0.933 367 G HN 0.103 nan 8.290 nan 0.000 0.503 368 D N -0.982 119.337 120.400 -0.134 0.000 2.347 368 D HA 0.024 4.664 4.640 0.000 0.000 0.213 368 D C -0.181 175.726 176.300 -0.655 0.000 0.985 368 D CA 1.004 54.762 54.000 -0.403 0.000 0.879 368 D CB 0.268 40.727 40.800 -0.568 0.000 0.919 368 D HN 0.367 nan 8.370 nan 0.000 0.526 369 Y N -0.208 120.102 120.300 0.017 0.000 2.517 369 Y HA 0.208 4.758 4.550 0.000 0.000 0.330 369 Y C -1.613 174.299 175.900 0.021 0.000 0.917 369 Y CA -1.826 56.284 58.100 0.018 0.000 1.131 369 Y CB 1.080 39.550 38.460 0.017 0.000 1.175 369 Y HN -0.094 nan 8.280 nan 0.000 0.620 370 P HA -0.200 nan 4.420 nan 0.000 0.214 370 P C 1.506 178.854 177.300 0.081 0.000 1.163 370 P CA 1.304 64.450 63.100 0.076 0.000 0.883 370 P CB 0.692 32.418 31.700 0.043 0.000 0.788 371 L N -0.194 121.076 121.223 0.079 0.000 2.083 371 L HA -0.132 4.208 4.340 0.000 0.000 0.209 371 L C 2.509 179.425 176.870 0.077 0.000 1.083 371 L CA 1.868 56.749 54.840 0.068 0.000 0.752 371 L CB -1.650 40.446 42.059 0.061 0.000 0.899 371 L HN -0.103 nan 8.230 nan 0.000 0.433 372 E N -0.722 119.545 120.200 0.112 0.000 2.106 372 E HA -0.108 4.242 4.350 0.000 0.000 0.192 372 E C 2.303 178.943 176.600 0.067 0.000 0.984 372 E CA 1.149 57.600 56.400 0.085 0.000 0.806 372 E CB -0.417 29.334 29.700 0.085 0.000 0.750 372 E HN 0.444 nan 8.360 nan 0.000 0.458 373 A N 0.644 123.515 122.820 0.085 0.000 1.877 373 A HA -0.151 4.170 4.320 0.000 0.000 0.216 373 A C 2.470 180.091 177.584 0.060 0.000 1.186 373 A CA 1.769 53.847 52.037 0.069 0.000 0.620 373 A CB -1.014 18.034 19.000 0.080 0.000 0.822 373 A HN 0.262 nan 8.150 nan 0.000 0.443 374 V N -0.747 119.202 119.914 0.059 0.000 2.515 374 V HA -0.202 3.919 4.120 0.000 0.000 0.250 374 V C 2.155 178.294 176.094 0.076 0.000 1.058 374 V CA 2.194 64.528 62.300 0.056 0.000 1.064 374 V CB -0.870 30.975 31.823 0.036 0.000 0.675 374 V HN 0.553 nan 8.190 nan 0.000 0.461 375 R N -0.766 119.773 120.500 0.065 0.000 2.115 375 R HA -0.023 4.317 4.340 0.000 0.000 0.230 375 R C 2.226 178.596 176.300 0.116 0.000 1.111 375 R CA 1.824 57.974 56.100 0.082 0.000 0.976 375 R CB -0.503 29.827 30.300 0.050 0.000 0.870 375 R HN 0.532 nan 8.270 nan 0.000 0.445 376 M N 1.023 120.669 119.600 0.077 0.000 2.156 376 M HA -0.115 4.365 4.480 0.000 0.000 0.264 376 M C 1.895 178.230 176.300 0.059 0.000 1.067 376 M CA 1.731 57.066 55.300 0.057 0.000 1.131 376 M CB -0.112 32.507 32.600 0.033 0.000 1.368 376 M HN 0.012 nan 8.290 nan 0.000 0.416 377 Q N -1.420 118.419 119.800 0.065 0.000 2.084 377 Q HA -0.253 4.087 4.340 0.000 0.000 0.202 377 Q C 2.138 178.173 176.000 0.058 0.000 0.978 377 Q CA 2.000 57.833 55.803 0.051 0.000 0.844 377 Q CB -0.541 28.227 28.738 0.050 0.000 0.898 377 Q HN 0.738 nan 8.270 nan 0.000 0.426 378 H N 0.280 119.360 119.070 0.017 0.000 2.352 378 H HA -0.162 4.394 4.556 0.000 0.000 0.299 378 H C 1.729 177.072 175.328 0.025 0.000 1.097 378 H CA 1.464 57.525 56.048 0.022 0.000 1.311 378 H CB 0.024 29.800 29.762 0.024 0.000 1.377 378 H HN 0.081 nan 8.280 nan 0.000 0.504 379 L N 0.214 121.434 121.223 -0.004 0.000 2.027 379 L HA -0.089 4.251 4.340 0.000 0.000 0.206 379 L C 2.511 179.339 176.870 -0.070 0.000 1.074 379 L CA 1.454 56.269 54.840 -0.042 0.000 0.745 379 L CB -0.699 41.387 42.059 0.045 0.000 0.898 379 L HN 0.437 nan 8.230 nan 0.000 0.433 380 I N -1.060 119.490 120.570 -0.035 0.000 2.226 380 I HA -0.301 3.869 4.170 0.000 0.000 0.245 380 I C 2.587 178.678 176.117 -0.044 0.000 1.100 380 I CA 1.023 62.306 61.300 -0.028 0.000 1.374 380 I CB -0.684 37.310 38.000 -0.010 0.000 1.057 380 I HN 0.225 nan 8.210 nan 0.000 0.413 381 A N 1.533 124.316 122.820 -0.063 0.000 1.849 381 A HA -0.257 4.064 4.320 0.000 0.000 0.217 381 A C 2.437 179.979 177.584 -0.071 0.000 1.202 381 A CA 1.941 53.943 52.037 -0.060 0.000 0.629 381 A CB -0.786 18.173 19.000 -0.068 0.000 0.834 381 A HN 0.324 nan 8.150 nan 0.000 0.447 382 R N -0.983 119.431 120.500 -0.143 0.000 2.103 382 R HA -0.193 4.147 4.340 0.000 0.000 0.242 382 R C 2.249 178.522 176.300 -0.044 0.000 1.142 382 R CA 1.645 57.681 56.100 -0.107 0.000 0.960 382 R CB -0.354 29.846 30.300 -0.166 0.000 0.858 382 R HN 0.623 nan 8.270 nan 0.000 0.439 383 E N 0.665 120.839 120.200 -0.043 0.000 2.051 383 E HA -0.135 4.215 4.350 0.000 0.000 0.192 383 E C 1.877 178.479 176.600 0.002 0.000 0.991 383 E CA 1.673 58.063 56.400 -0.016 0.000 0.799 383 E CB -0.172 29.516 29.700 -0.019 0.000 0.748 383 E HN 0.346 nan 8.360 nan 0.000 0.449 384 A N 0.591 123.412 122.820 0.001 0.000 1.873 384 A HA -0.186 4.134 4.320 0.000 0.000 0.215 384 A C 2.024 179.631 177.584 0.037 0.000 1.186 384 A CA 1.655 53.700 52.037 0.015 0.000 0.616 384 A CB -0.654 18.352 19.000 0.009 0.000 0.823 384 A HN 0.312 nan 8.150 nan 0.000 0.442 385 E N -0.142 120.082 120.200 0.040 0.000 2.114 385 E HA -0.242 4.108 4.350 0.000 0.000 0.199 385 E C 2.173 178.861 176.600 0.147 0.000 1.008 385 E CA 1.315 57.764 56.400 0.081 0.000 0.810 385 E CB -0.321 29.419 29.700 0.068 0.000 0.739 385 E HN 0.638 nan 8.360 nan 0.000 0.456 386 A N 1.000 123.892 122.820 0.121 0.000 1.968 386 A HA 0.067 4.387 4.320 0.000 0.000 0.217 386 A C 2.222 179.908 177.584 0.170 0.000 1.169 386 A CA 1.187 53.322 52.037 0.164 0.000 0.638 386 A CB -0.234 18.819 19.000 0.089 0.000 0.812 386 A HN 0.262 nan 8.150 nan 0.000 0.446 387 A N -0.864 122.016 122.820 0.100 0.000 2.252 387 A HA 0.384 4.704 4.320 0.000 0.000 0.207 387 A C 0.963 178.646 177.584 0.166 0.000 1.194 387 A CA -0.086 52.001 52.037 0.083 0.000 0.809 387 A CB -0.594 18.413 19.000 0.011 0.000 0.814 387 A HN 0.549 nan 8.150 nan 0.000 0.482 388 M N -0.854 118.781 119.600 0.058 0.000 2.243 388 M HA 0.185 4.666 4.480 0.000 0.000 0.341 388 M C -0.137 176.012 176.300 -0.252 0.000 1.130 388 M CA -0.019 55.195 55.300 -0.144 0.000 1.162 388 M CB 0.397 32.735 32.600 -0.437 0.000 1.497 388 M HN 0.296 nan 8.290 nan 0.000 0.456 389 F N 3.643 123.255 119.950 -0.562 0.000 2.509 389 F HA 0.216 4.743 4.527 0.000 0.000 0.344 389 F C 1.203 176.693 175.800 -0.517 0.000 1.197 389 F CA -0.565 56.919 58.000 -0.859 0.000 1.294 389 F CB -0.869 37.407 39.000 -1.207 0.000 1.643 389 F HN 0.574 nan 8.300 nan 0.000 0.596 390 H N 0.889 119.887 119.070 -0.119 0.000 2.265 390 H HA -0.205 4.351 4.556 0.000 0.000 0.293 390 H C 2.332 177.438 175.328 -0.371 0.000 1.089 390 H CA 1.699 57.641 56.048 -0.177 0.000 1.244 390 H CB -0.005 29.634 29.762 -0.205 0.000 1.355 390 H HN 0.339 nan 8.280 nan 0.000 0.485 391 R N 1.444 121.698 120.500 -0.410 0.000 2.134 391 R HA -0.191 4.150 4.340 0.000 0.000 0.248 391 R C 2.277 178.300 176.300 -0.462 0.000 1.143 391 R CA 1.915 57.728 56.100 -0.478 0.000 0.957 391 R CB -0.312 29.710 30.300 -0.462 0.000 0.867 391 R HN 0.184 nan 8.270 nan 0.000 0.441 392 K N 0.170 120.039 120.400 -0.884 0.000 2.025 392 K HA -0.088 4.233 4.320 0.000 0.000 0.207 392 K C 2.049 178.513 176.600 -0.226 0.000 1.049 392 K CA 0.905 56.785 56.287 -0.678 0.000 0.933 392 K CB -0.618 31.159 32.500 -1.205 0.000 0.714 392 K HN 0.094 nan 8.250 nan 0.000 0.438 393 L N 0.176 121.302 121.223 -0.161 0.000 2.012 393 L HA -0.095 4.245 4.340 0.000 0.000 0.210 393 L C 1.977 178.915 176.870 0.113 0.000 1.073 393 L CA 1.659 56.512 54.840 0.021 0.000 0.748 393 L CB -0.753 41.329 42.059 0.038 0.000 0.891 393 L HN 0.250 nan 8.230 nan 0.000 0.431 394 F N 0.727 120.700 119.950 0.037 0.000 2.046 394 F HA -0.244 4.283 4.527 0.000 0.000 0.297 394 F C 2.341 178.193 175.800 0.086 0.000 1.123 394 F CA 2.202 60.292 58.000 0.150 0.000 1.199 394 F CB -0.476 38.667 39.000 0.239 0.000 0.972 394 F HN 0.240 nan 8.300 nan 0.000 0.474 395 E N 0.053 120.306 120.200 0.087 0.000 2.065 395 E HA -0.292 4.058 4.350 0.000 0.000 0.201 395 E C 2.095 178.640 176.600 -0.092 0.000 1.016 395 E CA 2.008 58.385 56.400 -0.037 0.000 0.818 395 E CB -0.517 29.183 29.700 -0.001 0.000 0.749 395 E HN 0.605 nan 8.360 nan 0.000 0.453 396 E N 0.328 120.502 120.200 -0.044 0.000 2.153 396 E HA -0.181 4.169 4.350 0.000 0.000 0.194 396 E C 2.018 178.592 176.600 -0.043 0.000 0.988 396 E CA 0.529 56.911 56.400 -0.030 0.000 0.811 396 E CB -0.022 29.682 29.700 0.007 0.000 0.746 396 E HN 0.081 nan 8.360 nan 0.000 0.466 397 L N 0.176 121.371 121.223 -0.048 0.000 2.291 397 L HA -0.004 4.336 4.340 0.000 0.000 0.214 397 L C 1.988 178.853 176.870 -0.008 0.000 1.120 397 L CA 1.230 56.057 54.840 -0.022 0.000 0.799 397 L CB -0.249 41.823 42.059 0.021 0.000 0.925 397 L HN 0.007 nan 8.230 nan 0.000 0.446 398 A N -1.581 121.139 122.820 -0.167 0.000 2.095 398 A HA -0.025 4.295 4.320 0.000 0.000 0.212 398 A C 2.314 179.814 177.584 -0.140 0.000 1.162 398 A CA 0.544 52.451 52.037 -0.216 0.000 0.753 398 A CB -0.231 18.442 19.000 -0.545 0.000 0.840 398 A HN 0.295 nan 8.150 nan 0.000 0.468 399 R N 0.506 120.937 120.500 -0.115 0.000 2.062 399 R HA 0.024 4.364 4.340 0.000 0.000 0.231 399 R C 1.887 178.146 176.300 -0.070 0.000 1.136 399 R CA 1.726 57.773 56.100 -0.087 0.000 0.948 399 R CB -0.608 29.654 30.300 -0.063 0.000 0.845 399 R HN 0.346 nan 8.270 nan 0.000 0.430 400 A N -0.404 122.390 122.820 -0.044 0.000 2.258 400 A HA 0.124 4.444 4.320 0.000 0.000 0.206 400 A C 0.227 177.803 177.584 -0.014 0.000 1.222 400 A CA 0.297 52.318 52.037 -0.026 0.000 0.822 400 A CB -0.172 18.819 19.000 -0.016 0.000 0.804 400 A HN 0.200 nan 8.150 nan 0.000 0.483 401 S N 2.030 117.721 115.700 -0.016 0.000 2.409 401 S HA 0.405 4.876 4.470 0.000 0.000 0.308 401 S C -2.290 172.287 174.600 -0.038 0.000 1.080 401 S CA -0.935 57.273 58.200 0.015 0.000 1.081 401 S CB 0.413 63.647 63.200 0.057 0.000 1.009 401 S HN 0.300 nan 8.310 nan 0.000 0.502 402 P HA 0.033 nan 4.420 nan 0.000 0.270 402 P C -0.547 176.750 177.300 -0.005 0.000 1.221 402 P CA -0.119 62.985 63.100 0.007 0.000 0.788 402 P CB 0.251 31.993 31.700 0.070 0.000 0.904 403 H N -1.033 118.032 119.070 -0.007 0.000 3.034 403 H HA 0.263 4.819 4.556 0.000 0.000 0.324 403 H C 0.587 175.908 175.328 -0.012 0.000 1.015 403 H CA 0.606 56.647 56.048 -0.012 0.000 1.429 403 H CB -0.101 29.655 29.762 -0.011 0.000 1.429 403 H HN 0.115 nan 8.280 nan 0.000 0.585 404 S N 0.920 116.669 115.700 0.081 0.000 2.482 404 S HA 0.283 4.754 4.470 0.000 0.000 0.303 404 S C 0.917 175.526 174.600 0.016 0.000 1.091 404 S CA -0.308 57.914 58.200 0.036 0.000 1.057 404 S CB 0.700 63.903 63.200 0.006 0.000 1.031 404 S HN 0.827 nan 8.310 nan 0.000 0.485 405 T N -0.054 114.501 114.554 0.002 0.000 3.069 405 T HA 0.225 4.575 4.350 0.000 0.000 0.252 405 T C 0.102 174.776 174.700 -0.044 0.000 1.053 405 T CA -0.227 61.866 62.100 -0.012 0.000 0.964 405 T CB -0.084 68.780 68.868 -0.006 0.000 1.005 405 T HN 0.525 nan 8.240 nan 0.000 0.532 406 D N 1.521 121.882 120.400 -0.065 0.000 2.359 406 D HA 0.220 4.860 4.640 0.000 0.000 0.230 406 D C 1.170 177.353 176.300 -0.195 0.000 1.118 406 D CA -0.435 53.482 54.000 -0.137 0.000 0.844 406 D CB 1.030 41.767 40.800 -0.104 0.000 1.059 406 D HN 0.224 nan 8.370 nan 0.000 0.493 407 L N 3.406 124.439 121.223 -0.317 0.000 2.201 407 L HA -0.141 4.199 4.340 0.000 0.000 0.212 407 L C 2.314 178.965 176.870 -0.365 0.000 1.105 407 L CA 0.529 55.193 54.840 -0.294 0.000 0.775 407 L CB -0.385 41.571 42.059 -0.172 0.000 0.913 407 L HN 0.437 nan 8.230 nan 0.000 0.440 408 M N 0.521 119.735 119.600 -0.644 0.000 2.117 408 M HA -0.192 4.288 4.480 0.000 0.000 0.262 408 M C 2.062 178.317 176.300 -0.075 0.000 1.065 408 M CA 1.758 56.858 55.300 -0.335 0.000 1.114 408 M CB -0.364 32.049 32.600 -0.311 0.000 1.361 408 M HN 0.127 nan 8.290 nan 0.000 0.408 409 E N -0.405 119.759 120.200 -0.060 0.000 2.097 409 E HA -0.223 4.127 4.350 0.000 0.000 0.196 409 E C 1.954 178.514 176.600 -0.066 0.000 1.000 409 E CA 1.389 57.814 56.400 0.042 0.000 0.804 409 E CB -0.332 29.405 29.700 0.062 0.000 0.740 409 E HN 0.666 nan 8.360 nan 0.000 0.454 410 A N 1.189 123.965 122.820 -0.074 0.000 1.873 410 A HA -0.184 4.137 4.320 0.000 0.000 0.215 410 A C 2.155 179.718 177.584 -0.035 0.000 1.186 410 A CA 1.264 53.258 52.037 -0.071 0.000 0.616 410 A CB -0.331 18.644 19.000 -0.042 0.000 0.823 410 A HN 0.118 nan 8.150 nan 0.000 0.442 411 M N -0.205 119.406 119.600 0.020 0.000 2.108 411 M HA -0.175 4.305 4.480 0.000 0.000 0.261 411 M C 2.494 178.822 176.300 0.047 0.000 1.066 411 M CA 1.650 56.992 55.300 0.070 0.000 1.107 411 M CB -1.577 31.128 32.600 0.176 0.000 1.356 411 M HN 0.510 nan 8.290 nan 0.000 0.406 412 A N 0.115 122.965 122.820 0.050 0.000 1.845 412 A HA -0.185 4.135 4.320 0.000 0.000 0.215 412 A C 2.250 179.849 177.584 0.024 0.000 1.195 412 A CA 1.886 53.977 52.037 0.091 0.000 0.616 412 A CB -0.654 18.487 19.000 0.236 0.000 0.832 412 A HN 0.480 nan 8.150 nan 0.000 0.443 413 M N -0.529 118.976 119.600 -0.158 0.000 2.159 413 M HA -0.107 4.374 4.480 0.000 0.000 0.263 413 M C 2.283 178.617 176.300 0.058 0.000 1.063 413 M CA 1.413 56.649 55.300 -0.107 0.000 1.110 413 M CB -0.584 31.786 32.600 -0.384 0.000 1.374 413 M HN 0.538 nan 8.290 nan 0.000 0.411 414 G N -0.514 108.282 108.800 -0.007 0.000 2.421 414 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 414 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 414 G C 1.580 176.451 174.900 -0.049 0.000 1.171 414 G CA 1.161 46.255 45.100 -0.010 0.000 0.775 414 G HN 0.444 nan 8.290 nan 0.000 0.543 415 S N 0.088 115.763 115.700 -0.041 0.000 2.356 415 S HA -0.118 4.352 4.470 0.000 0.000 0.223 415 S C 2.496 176.999 174.600 -0.161 0.000 1.032 415 S CA 1.205 59.365 58.200 -0.067 0.000 1.005 415 S CB -0.415 62.773 63.200 -0.020 0.000 0.867 415 S HN 0.163 nan 8.310 nan 0.000 0.449 416 V N 1.889 121.690 119.914 -0.188 0.000 2.287 416 V HA -0.200 3.920 4.120 0.000 0.000 0.248 416 V C 2.614 178.227 176.094 -0.802 0.000 1.053 416 V CA 2.179 64.211 62.300 -0.448 0.000 1.027 416 V CB -0.727 30.933 31.823 -0.272 0.000 0.646 416 V HN 0.427 nan 8.190 nan 0.000 0.447 417 E N 0.829 120.670 120.200 -0.599 0.000 2.058 417 E HA -0.224 4.127 4.350 0.000 0.000 0.194 417 E C 2.119 178.571 176.600 -0.245 0.000 0.997 417 E CA 1.886 58.006 56.400 -0.467 0.000 0.801 417 E CB -0.573 28.984 29.700 -0.238 0.000 0.746 417 E HN 0.512 nan 8.360 nan 0.000 0.450 418 A N 0.226 122.933 122.820 -0.190 0.000 1.940 418 A HA -0.216 4.104 4.320 0.000 0.000 0.219 418 A C 2.400 179.906 177.584 -0.129 0.000 1.176 418 A CA 2.441 54.406 52.037 -0.119 0.000 0.631 418 A CB -1.038 17.907 19.000 -0.090 0.000 0.814 418 A HN 0.461 nan 8.150 nan 0.000 0.446 419 S N -1.425 114.148 115.700 -0.212 0.000 2.402 419 S HA -0.170 4.300 4.470 0.000 0.000 0.229 419 S C 1.858 176.389 174.600 -0.115 0.000 1.021 419 S CA 1.351 59.437 58.200 -0.190 0.000 0.974 419 S CB -0.751 62.295 63.200 -0.257 0.000 0.800 419 S HN 0.514 nan 8.310 nan 0.000 0.484 420 Y N 1.987 122.185 120.300 -0.170 0.000 2.200 420 Y HA 0.151 4.701 4.550 0.000 0.000 0.290 420 Y C 2.691 178.517 175.900 -0.124 0.000 1.137 420 Y CA 0.519 58.515 58.100 -0.174 0.000 1.163 420 Y CB -0.604 37.711 38.460 -0.241 0.000 0.988 420 Y HN 0.155 nan 8.280 nan 0.000 0.518 421 K N 0.359 120.791 120.400 0.053 0.000 2.026 421 K HA -0.124 4.196 4.320 0.000 0.000 0.208 421 K C 1.820 178.418 176.600 -0.004 0.000 1.048 421 K CA 1.604 57.897 56.287 0.009 0.000 0.929 421 K CB -0.812 31.682 32.500 -0.010 0.000 0.713 421 K HN 0.499 nan 8.250 nan 0.000 0.439 422 C N 0.459 119.749 119.300 -0.017 0.000 2.614 422 C HA 0.451 4.911 4.460 0.000 0.000 0.299 422 C C 0.847 175.825 174.990 -0.020 0.000 1.293 422 C CA -0.852 58.154 59.018 -0.021 0.000 1.713 422 C CB -1.638 26.082 27.740 -0.033 0.000 1.890 422 C HN 0.420 nan 8.230 nan 0.000 0.602 423 L N 0.619 121.837 121.223 -0.009 0.000 3.879 423 L HA -0.252 4.088 4.340 0.000 0.000 0.481 423 L C 1.174 178.031 176.870 -0.021 0.000 1.232 423 L CA 0.428 55.265 54.840 -0.006 0.000 0.736 423 L CB -2.021 40.039 42.059 0.002 0.000 1.511 423 L HN 0.734 nan 8.230 nan 0.000 0.830 424 A N 0.357 123.152 122.820 -0.043 0.000 2.520 424 A HA 0.452 4.772 4.320 0.000 0.000 0.235 424 A C 1.437 178.996 177.584 -0.042 0.000 1.065 424 A CA 0.652 52.651 52.037 -0.062 0.000 0.764 424 A CB 0.646 19.594 19.000 -0.086 0.000 1.002 424 A HN 0.715 nan 8.150 nan 0.000 0.502 425 A N 1.455 124.246 122.820 -0.047 0.000 2.067 425 A HA 0.484 4.804 4.320 0.000 0.000 0.217 425 A C 1.097 178.741 177.584 0.099 0.000 1.156 425 A CA 1.770 53.837 52.037 0.051 0.000 0.683 425 A CB -0.447 18.615 19.000 0.103 0.000 0.808 425 A HN 2.492 nan 8.150 nan 0.000 0.455 426 A N -2.229 120.588 122.820 -0.006 0.000 2.522 426 A HA 0.569 4.890 4.320 0.000 0.000 0.291 426 A C -2.097 175.476 177.584 -0.019 0.000 1.039 426 A CA -0.631 51.434 52.037 0.047 0.000 0.643 426 A CB 0.116 19.272 19.000 0.259 0.000 1.310 426 A HN 0.348 nan 8.150 nan 0.000 0.436 427 L N 1.095 122.328 121.223 0.017 0.000 2.343 427 L HA 0.573 4.913 4.340 0.000 0.000 0.278 427 L C -0.466 176.428 176.870 0.040 0.000 0.996 427 L CA 0.106 54.947 54.840 0.001 0.000 0.831 427 L CB 1.412 43.469 42.059 -0.003 0.000 1.232 427 L HN 0.587 nan 8.230 nan 0.000 0.413 428 I N 3.815 124.398 120.570 0.022 0.000 2.342 428 I HA 0.462 4.632 4.170 0.000 0.000 0.291 428 I C -0.564 175.573 176.117 0.032 0.000 1.010 428 I CA -0.683 60.642 61.300 0.041 0.000 1.308 428 I CB 1.377 39.389 38.000 0.020 0.000 1.400 428 I HN 0.209 nan 8.210 nan 0.000 0.488 429 V N 7.431 127.371 119.914 0.043 0.000 2.525 429 V HA 0.354 4.475 4.120 0.000 0.000 0.299 429 V C -0.111 175.999 176.094 0.025 0.000 1.034 429 V CA -0.586 61.736 62.300 0.035 0.000 0.863 429 V CB 1.917 33.764 31.823 0.040 0.000 0.999 429 V HN 0.489 nan 8.190 nan 0.000 0.423 430 L N 4.169 125.401 121.223 0.015 0.000 2.290 430 L HA 0.739 5.079 4.340 0.000 0.000 0.284 430 L C 0.245 177.129 176.870 0.024 0.000 1.078 430 L CA 0.327 55.169 54.840 0.004 0.000 0.815 430 L CB 1.475 43.515 42.059 -0.031 0.000 1.162 430 L HN 0.788 nan 8.230 nan 0.000 0.435 431 T N 0.889 115.453 114.554 0.016 0.000 2.840 431 T HA 0.288 4.638 4.350 0.000 0.000 0.317 431 T C -0.064 174.641 174.700 0.009 0.000 1.401 431 T CA -0.420 61.687 62.100 0.011 0.000 1.028 431 T CB 1.885 70.730 68.868 -0.038 0.000 1.317 431 T HN 0.614 nan 8.240 nan 0.000 0.495 432 E N 0.892 121.101 120.200 0.016 0.000 2.306 432 E HA 0.099 4.449 4.350 0.000 0.000 0.201 432 E C 2.115 178.719 176.600 0.006 0.000 0.874 432 E CA 1.136 57.551 56.400 0.025 0.000 0.972 432 E CB -0.161 29.569 29.700 0.050 0.000 0.957 432 E HN 0.657 nan 8.360 nan 0.000 0.492 433 S N -0.457 115.235 115.700 -0.013 0.000 2.470 433 S HA 0.149 4.619 4.470 0.000 0.000 0.225 433 S C 1.723 176.250 174.600 -0.121 0.000 1.006 433 S CA 1.044 59.228 58.200 -0.026 0.000 0.934 433 S CB 0.286 63.477 63.200 -0.014 0.000 0.778 433 S HN 0.318 nan 8.310 nan 0.000 0.517 434 G N 1.823 110.497 108.800 -0.209 0.000 2.217 434 G HA2 -0.324 3.636 3.960 0.000 0.000 0.246 434 G HA3 -0.324 3.636 3.960 0.000 0.000 0.246 434 G C 1.022 175.356 174.900 -0.942 0.000 0.990 434 G CA 0.327 45.145 45.100 -0.471 0.000 0.627 434 G HN 0.482 nan 8.290 nan 0.000 0.522 435 R N 0.806 120.954 120.500 -0.587 0.000 2.136 435 R HA -0.145 4.195 4.340 0.000 0.000 0.242 435 R C 2.812 178.958 176.300 -0.256 0.000 1.131 435 R CA 2.192 58.050 56.100 -0.403 0.000 0.937 435 R CB -0.760 29.473 30.300 -0.110 0.000 0.863 435 R HN 0.430 nan 8.270 nan 0.000 0.435 436 S N 0.435 116.066 115.700 -0.116 0.000 2.365 436 S HA -0.230 4.240 4.470 0.000 0.000 0.225 436 S C 2.091 176.676 174.600 -0.024 0.000 1.039 436 S CA 1.458 59.656 58.200 -0.003 0.000 1.033 436 S CB -0.354 62.892 63.200 0.077 0.000 0.887 436 S HN 0.554 nan 8.310 nan 0.000 0.447 437 A N 1.780 124.543 122.820 -0.095 0.000 1.902 437 A HA -0.185 4.135 4.320 0.000 0.000 0.217 437 A C 1.821 179.403 177.584 -0.003 0.000 1.181 437 A CA 1.799 53.814 52.037 -0.036 0.000 0.623 437 A CB -1.025 17.947 19.000 -0.046 0.000 0.818 437 A HN 0.528 nan 8.150 nan 0.000 0.443 438 H N 0.098 119.027 119.070 -0.236 0.000 2.353 438 H HA -0.143 4.413 4.556 0.000 0.000 0.298 438 H C 2.224 177.504 175.328 -0.081 0.000 1.103 438 H CA 1.761 57.590 56.048 -0.365 0.000 1.293 438 H CB -0.403 29.078 29.762 -0.468 0.000 1.372 438 H HN 0.508 nan 8.280 nan 0.000 0.501 439 Q N 0.130 119.991 119.800 0.102 0.000 2.119 439 Q HA -0.063 4.277 4.340 0.000 0.000 0.201 439 Q C 2.665 178.779 176.000 0.190 0.000 0.972 439 Q CA 0.857 56.738 55.803 0.131 0.000 0.847 439 Q CB -0.435 28.381 28.738 0.129 0.000 0.903 439 Q HN 0.334 nan 8.270 nan 0.000 0.433 440 V N 1.176 121.185 119.914 0.158 0.000 2.358 440 V HA -0.213 3.907 4.120 0.000 0.000 0.246 440 V C 2.395 178.591 176.094 0.169 0.000 1.047 440 V CA 1.660 64.065 62.300 0.176 0.000 1.035 440 V CB -1.026 30.863 31.823 0.110 0.000 0.658 440 V HN 0.303 nan 8.190 nan 0.000 0.452 441 A N 0.142 123.044 122.820 0.138 0.000 1.933 441 A HA -0.260 4.060 4.320 0.000 0.000 0.218 441 A C 2.406 180.056 177.584 0.111 0.000 1.175 441 A CA 1.977 54.102 52.037 0.146 0.000 0.628 441 A CB -0.619 18.496 19.000 0.191 0.000 0.814 441 A HN 0.489 nan 8.150 nan 0.000 0.444 442 R N -1.635 118.889 120.500 0.040 0.000 2.117 442 R HA -0.193 4.147 4.340 0.000 0.000 0.243 442 R C 0.846 176.966 176.300 -0.300 0.000 1.143 442 R CA 1.852 57.857 56.100 -0.158 0.000 0.968 442 R CB -0.339 29.772 30.300 -0.315 0.000 0.863 442 R HN 0.569 nan 8.270 nan 0.000 0.444 443 Y N 1.028 121.413 120.300 0.141 0.000 2.470 443 Y HA 0.228 4.778 4.550 0.000 0.000 0.302 443 Y C 0.023 176.097 175.900 0.290 0.000 1.194 443 Y CA -0.199 58.022 58.100 0.202 0.000 1.271 443 Y CB 0.209 38.818 38.460 0.249 0.000 1.092 443 Y HN -0.055 nan 8.280 nan 0.000 0.513 444 R N 0.050 120.709 120.500 0.266 0.000 3.022 444 R HA -0.169 4.171 4.340 0.000 0.000 0.248 444 R C -2.843 173.647 176.300 0.318 0.000 0.874 444 R CA 0.226 56.493 56.100 0.279 0.000 0.626 444 R CB -1.849 28.624 30.300 0.288 0.000 1.255 444 R HN 0.309 nan 8.270 nan 0.000 0.496 445 P HA 0.052 nan 4.420 nan 0.000 0.274 445 P C 0.547 177.887 177.300 0.067 0.000 1.256 445 P CA -0.354 62.729 63.100 -0.029 0.000 0.795 445 P CB 0.631 32.253 31.700 -0.130 0.000 1.038 446 R N 0.761 121.235 120.500 -0.043 0.000 2.100 446 R HA 0.121 4.461 4.340 0.000 0.000 0.220 446 R C 0.792 177.058 176.300 -0.056 0.000 1.091 446 R CA 0.432 56.432 56.100 -0.165 0.000 0.986 446 R CB -0.358 29.715 30.300 -0.378 0.000 0.888 446 R HN 0.567 nan 8.270 nan 0.000 0.444 447 A N 2.591 125.377 122.820 -0.057 0.000 2.322 447 A HA 0.399 4.719 4.320 0.000 0.000 0.269 447 A C -2.283 175.285 177.584 -0.027 0.000 1.094 447 A CA -1.684 50.326 52.037 -0.045 0.000 0.807 447 A CB 0.164 19.140 19.000 -0.039 0.000 1.047 447 A HN 0.263 nan 8.150 nan 0.000 0.487 448 P HA 0.118 nan 4.420 nan 0.000 0.268 448 P C -0.769 176.568 177.300 0.062 0.000 1.204 448 P CA 0.459 63.537 63.100 -0.036 0.000 0.768 448 P CB 0.411 31.957 31.700 -0.256 0.000 0.842 449 I N 4.616 125.255 120.570 0.115 0.000 2.276 449 I HA 0.221 4.392 4.170 0.000 0.000 0.290 449 I C 0.867 177.098 176.117 0.190 0.000 1.109 449 I CA -0.567 60.810 61.300 0.129 0.000 1.229 449 I CB -0.053 38.018 38.000 0.118 0.000 1.452 449 I HN 0.147 nan 8.210 nan 0.000 0.497 450 I N 5.858 126.545 120.570 0.195 0.000 2.372 450 I HA 0.140 4.310 4.170 0.000 0.000 0.298 450 I C 0.882 177.098 176.117 0.166 0.000 1.137 450 I CA 0.050 61.489 61.300 0.232 0.000 1.314 450 I CB 0.376 38.501 38.000 0.208 0.000 1.444 450 I HN 0.555 nan 8.210 nan 0.000 0.541 451 A N 7.350 130.268 122.820 0.163 0.000 2.279 451 A HA 0.545 4.865 4.320 0.000 0.000 0.306 451 A C -0.167 177.465 177.584 0.079 0.000 1.300 451 A CA -0.394 51.698 52.037 0.092 0.000 0.925 451 A CB 0.368 19.404 19.000 0.061 0.000 1.152 451 A HN 0.458 nan 8.150 nan 0.000 0.544 452 V N 2.706 122.653 119.914 0.054 0.000 2.439 452 V HA 0.713 4.833 4.120 0.000 0.000 0.282 452 V C 0.605 176.709 176.094 0.016 0.000 1.039 452 V CA -0.000 62.322 62.300 0.037 0.000 0.913 452 V CB 1.305 33.142 31.823 0.022 0.000 0.983 452 V HN 0.995 nan 8.190 nan 0.000 0.460 453 T N 3.833 118.392 114.554 0.010 0.000 2.821 453 T HA 0.419 4.769 4.350 0.000 0.000 0.306 453 T C 0.310 175.012 174.700 0.003 0.000 1.313 453 T CA -0.615 61.490 62.100 0.008 0.000 1.012 453 T CB 1.825 70.698 68.868 0.009 0.000 1.298 453 T HN 0.628 nan 8.240 nan 0.000 0.502 454 R N 1.012 121.531 120.500 0.031 0.000 2.334 454 R HA 0.228 4.568 4.340 0.000 0.000 0.212 454 R C 0.359 176.738 176.300 0.131 0.000 0.897 454 R CA -0.241 55.895 56.100 0.059 0.000 1.056 454 R CB 0.236 30.579 30.300 0.072 0.000 1.046 454 R HN 0.364 nan 8.270 nan 0.000 0.513 455 N N 1.160 119.921 118.700 0.103 0.000 2.482 455 N HA -0.017 4.723 4.740 0.000 0.000 0.242 455 N C 0.305 175.910 175.510 0.159 0.000 1.100 455 N CA 0.157 53.294 53.050 0.144 0.000 0.946 455 N CB 0.500 39.040 38.487 0.089 0.000 1.227 455 N HN 0.127 nan 8.380 nan 0.000 0.508 456 H N 1.415 120.515 119.070 0.051 0.000 2.394 456 H HA -0.213 4.343 4.556 0.000 0.000 0.297 456 H C 1.792 177.160 175.328 0.068 0.000 1.113 456 H CA 2.181 58.271 56.048 0.069 0.000 1.277 456 H CB 0.253 30.054 29.762 0.065 0.000 1.370 456 H HN 0.658 nan 8.280 nan 0.000 0.506 457 Q N 0.179 120.091 119.800 0.185 0.000 2.049 457 Q HA -0.147 4.193 4.340 0.000 0.000 0.198 457 Q C 2.294 178.356 176.000 0.102 0.000 0.971 457 Q CA 2.158 58.035 55.803 0.123 0.000 0.833 457 Q CB -0.029 28.765 28.738 0.094 0.000 0.896 457 Q HN 0.612 nan 8.270 nan 0.000 0.434 458 T N -1.822 112.788 114.554 0.093 0.000 2.881 458 T HA -0.043 4.307 4.350 0.000 0.000 0.270 458 T C 1.759 176.497 174.700 0.063 0.000 1.068 458 T CA 1.067 63.221 62.100 0.089 0.000 1.131 458 T CB -0.396 68.509 68.868 0.062 0.000 0.871 458 T HN 0.374 nan 8.240 nan 0.000 0.479 459 A N 1.788 124.628 122.820 0.034 0.000 1.872 459 A HA 0.085 4.406 4.320 0.000 0.000 0.214 459 A C 2.604 180.138 177.584 -0.084 0.000 1.187 459 A CA 1.196 53.215 52.037 -0.031 0.000 0.614 459 A CB -0.631 18.352 19.000 -0.028 0.000 0.826 459 A HN 0.494 nan 8.150 nan 0.000 0.442 460 R N -0.541 119.971 120.500 0.020 0.000 2.096 460 R HA -0.116 4.224 4.340 0.000 0.000 0.235 460 R C 2.335 178.702 176.300 0.111 0.000 1.127 460 R CA 1.666 57.816 56.100 0.083 0.000 0.968 460 R CB -0.215 30.157 30.300 0.119 0.000 0.861 460 R HN 0.683 nan 8.270 nan 0.000 0.440 461 Q N -0.606 119.257 119.800 0.105 0.000 2.311 461 Q HA 0.033 4.374 4.340 0.000 0.000 0.203 461 Q C 1.985 178.104 176.000 0.200 0.000 0.954 461 Q CA 0.814 56.708 55.803 0.153 0.000 0.885 461 Q CB 0.156 28.993 28.738 0.165 0.000 0.963 461 Q HN 0.309 nan 8.270 nan 0.000 0.471 462 A N 0.799 123.691 122.820 0.119 0.000 1.978 462 A HA -0.246 4.074 4.320 0.000 0.000 0.220 462 A C 1.374 179.062 177.584 0.174 0.000 1.170 462 A CA 1.582 53.710 52.037 0.151 0.000 0.636 462 A CB -0.782 18.210 19.000 -0.014 0.000 0.810 462 A HN 0.438 nan 8.150 nan 0.000 0.448 463 H N -0.495 118.655 119.070 0.133 0.000 2.426 463 H HA -0.088 4.468 4.556 0.000 0.000 0.298 463 H C 1.708 177.077 175.328 0.068 0.000 1.107 463 H CA 1.377 57.469 56.048 0.073 0.000 1.298 463 H CB -0.243 29.530 29.762 0.019 0.000 1.377 463 H HN 0.427 nan 8.280 nan 0.000 0.519 464 L N -0.042 121.277 121.223 0.161 0.000 2.349 464 L HA -0.163 4.177 4.340 0.000 0.000 0.220 464 L C -0.041 176.671 176.870 -0.263 0.000 1.130 464 L CA 0.646 55.439 54.840 -0.079 0.000 0.791 464 L CB -0.166 41.763 42.059 -0.217 0.000 0.918 464 L HN 0.284 nan 8.230 nan 0.000 0.444 465 Y N -0.620 119.681 120.300 0.001 0.000 2.320 465 Y HA 0.365 4.915 4.550 0.000 0.000 0.334 465 Y C 0.717 176.641 175.900 0.042 0.000 1.055 465 Y CA -1.220 56.878 58.100 -0.004 0.000 1.143 465 Y CB 0.670 39.119 38.460 -0.019 0.000 1.193 465 Y HN -0.103 nan 8.280 nan 0.000 0.477 466 R N 1.599 122.186 120.500 0.146 0.000 2.583 466 R HA 0.248 4.588 4.340 0.000 0.000 0.274 466 R C 1.246 177.640 176.300 0.158 0.000 0.998 466 R CA 1.195 57.370 56.100 0.124 0.000 1.081 466 R CB -0.351 30.007 30.300 0.097 0.000 0.940 466 R HN 0.964 nan 8.270 nan 0.000 0.413 467 G N 3.812 112.697 108.800 0.143 0.000 2.328 467 G HA2 -0.327 3.634 3.960 0.000 0.000 0.256 467 G HA3 -0.327 3.634 3.960 0.000 0.000 0.256 467 G C 0.312 175.316 174.900 0.174 0.000 1.014 467 G CA 0.431 45.618 45.100 0.144 0.000 0.620 467 G HN 0.595 nan 8.290 nan 0.000 0.530 468 I N 1.232 121.914 120.570 0.187 0.000 2.421 468 I HA 0.323 4.494 4.170 0.000 0.000 0.291 468 I C 0.053 176.278 176.117 0.180 0.000 1.089 468 I CA -0.471 60.936 61.300 0.178 0.000 1.354 468 I CB 0.383 38.474 38.000 0.152 0.000 1.413 468 I HN 0.099 nan 8.210 nan 0.000 0.513 469 F N 10.599 130.608 119.950 0.098 0.000 2.334 469 F HA 0.406 4.933 4.527 0.000 0.000 0.365 469 F C -1.943 173.892 175.800 0.058 0.000 1.124 469 F CA -2.960 55.112 58.000 0.120 0.000 1.166 469 F CB 0.433 39.566 39.000 0.220 0.000 1.355 469 F HN 0.282 nan 8.300 nan 0.000 0.532 470 P HA 0.054 nan 4.420 nan 0.000 0.268 470 P C -1.044 176.299 177.300 0.073 0.000 1.204 470 P CA 0.132 63.200 63.100 -0.052 0.000 0.768 470 P CB 1.778 33.309 31.700 -0.282 0.000 0.842 471 V N 4.855 124.838 119.914 0.114 0.000 2.419 471 V HA 0.088 4.208 4.120 0.000 0.000 0.287 471 V C 0.264 176.397 176.094 0.065 0.000 1.017 471 V CA -0.809 61.574 62.300 0.138 0.000 0.844 471 V CB 2.055 33.979 31.823 0.169 0.000 1.011 471 V HN 0.266 nan 8.190 nan 0.000 0.429 472 V N 4.236 124.184 119.914 0.057 0.000 2.439 472 V HA 0.110 4.230 4.120 0.000 0.000 0.271 472 V C 0.623 176.690 176.094 -0.045 0.000 1.040 472 V CA -0.170 62.096 62.300 -0.056 0.000 1.002 472 V CB 0.976 32.689 31.823 -0.183 0.000 1.000 472 V HN 1.003 nan 8.190 nan 0.000 0.477 473 C N 6.685 125.960 119.300 -0.041 0.000 2.415 473 C HA 0.373 4.833 4.460 0.000 0.000 0.369 473 C C 1.372 176.355 174.990 -0.011 0.000 1.279 473 C CA -0.479 58.529 59.018 -0.016 0.000 1.886 473 C CB -0.323 27.412 27.740 -0.008 0.000 2.468 473 C HN 1.021 nan 8.230 nan 0.000 0.553 474 K N 2.462 122.860 120.400 -0.002 0.000 2.353 474 K HA 0.128 4.448 4.320 0.000 0.000 0.195 474 K C 0.213 176.827 176.600 0.022 0.000 1.031 474 K CA -0.105 56.197 56.287 0.026 0.000 1.079 474 K CB 0.168 32.675 32.500 0.012 0.000 0.857 474 K HN 0.737 nan 8.250 nan 0.000 0.535 475 D N 3.128 123.533 120.400 0.008 0.000 2.423 475 D HA 0.032 4.672 4.640 0.000 0.000 0.238 475 D C -2.155 174.150 176.300 0.009 0.000 1.142 475 D CA -0.818 53.184 54.000 0.003 0.000 0.884 475 D CB 0.728 41.523 40.800 -0.008 0.000 1.199 475 D HN 0.053 nan 8.370 nan 0.000 0.438 476 P HA 0.015 nan 4.420 nan 0.000 0.277 476 P C -0.114 177.192 177.300 0.011 0.000 1.240 476 P CA -0.544 62.564 63.100 0.013 0.000 0.798 476 P CB 0.919 32.625 31.700 0.011 0.000 0.979 477 V N 2.286 122.212 119.914 0.021 0.000 2.493 477 V HA -0.041 4.079 4.120 0.000 0.000 0.292 477 V C 0.446 176.553 176.094 0.022 0.000 1.016 477 V CA 0.326 62.642 62.300 0.027 0.000 1.097 477 V CB -0.319 31.537 31.823 0.055 0.000 0.947 477 V HN 0.476 nan 8.190 nan 0.000 0.479 478 Q N 4.821 124.626 119.800 0.008 0.000 2.454 478 Q HA 0.183 4.524 4.340 0.000 0.000 0.247 478 Q C 1.212 177.229 176.000 0.029 0.000 1.028 478 Q CA 0.316 56.121 55.803 0.004 0.000 0.910 478 Q CB 0.725 29.449 28.738 -0.023 0.000 1.276 478 Q HN 0.833 nan 8.270 nan 0.000 0.489 479 E N 0.652 120.865 120.200 0.021 0.000 2.017 479 E HA -0.088 4.263 4.350 0.000 0.000 0.193 479 E C -0.218 176.411 176.600 0.048 0.000 0.997 479 E CA 1.255 57.672 56.400 0.029 0.000 0.804 479 E CB -0.287 29.422 29.700 0.015 0.000 0.757 479 E HN 0.601 nan 8.360 nan 0.000 0.448 480 A N 1.850 124.691 122.820 0.036 0.000 2.309 480 A HA 0.053 4.373 4.320 0.000 0.000 0.290 480 A C 0.791 178.426 177.584 0.086 0.000 1.206 480 A CA -0.454 51.615 52.037 0.052 0.000 0.850 480 A CB -0.252 18.755 19.000 0.013 0.000 1.118 480 A HN 0.495 nan 8.150 nan 0.000 0.523 481 W N 3.186 124.438 121.300 -0.081 0.000 2.308 481 W HA -0.328 4.332 4.660 0.000 0.000 0.301 481 W C 1.588 178.041 176.519 -0.111 0.000 1.220 481 W CA 2.263 59.551 57.345 -0.095 0.000 1.240 481 W CB -0.123 29.265 29.460 -0.120 0.000 1.142 481 W HN 0.774 nan 8.180 nan 0.000 0.521 482 A N 0.522 123.282 122.820 -0.099 0.000 1.933 482 A HA -0.235 4.085 4.320 0.000 0.000 0.218 482 A C 1.838 179.281 177.584 -0.235 0.000 1.175 482 A CA 1.902 53.799 52.037 -0.233 0.000 0.628 482 A CB -0.903 18.017 19.000 -0.132 0.000 0.814 482 A HN 0.489 nan 8.150 nan 0.000 0.444 483 E N -0.795 119.314 120.200 -0.152 0.000 2.107 483 E HA -0.174 4.176 4.350 0.000 0.000 0.191 483 E C 1.656 178.158 176.600 -0.163 0.000 0.982 483 E CA 0.982 57.306 56.400 -0.127 0.000 0.809 483 E CB -0.137 29.520 29.700 -0.073 0.000 0.756 483 E HN 0.636 nan 8.360 nan 0.000 0.459 484 D N 0.031 120.314 120.400 -0.195 0.000 2.144 484 D HA -0.133 4.507 4.640 0.000 0.000 0.199 484 D C 1.814 177.916 176.300 -0.329 0.000 0.984 484 D CA 0.697 54.567 54.000 -0.218 0.000 0.834 484 D CB 0.189 40.877 40.800 -0.186 0.000 0.955 484 D HN -0.059 nan 8.370 nan 0.000 0.465 485 V N 0.687 120.299 119.914 -0.503 0.000 2.244 485 V HA -0.191 3.929 4.120 0.000 0.000 0.244 485 V C 1.890 177.819 176.094 -0.275 0.000 1.042 485 V CA 1.941 63.942 62.300 -0.498 0.000 1.006 485 V CB -0.548 30.891 31.823 -0.641 0.000 0.641 485 V HN 0.206 nan 8.190 nan 0.000 0.446 486 D N -0.172 120.093 120.400 -0.224 0.000 2.271 486 D HA -0.166 4.474 4.640 0.000 0.000 0.207 486 D C 1.941 178.175 176.300 -0.110 0.000 0.983 486 D CA 1.141 55.056 54.000 -0.142 0.000 0.878 486 D CB -0.052 40.679 40.800 -0.115 0.000 0.920 486 D HN 0.429 nan 8.370 nan 0.000 0.479 487 L N 0.473 121.622 121.223 -0.123 0.000 1.993 487 L HA -0.115 4.225 4.340 0.000 0.000 0.206 487 L C 2.352 179.176 176.870 -0.075 0.000 1.074 487 L CA 1.101 55.889 54.840 -0.088 0.000 0.746 487 L CB -0.003 42.003 42.059 -0.088 0.000 0.896 487 L HN -0.197 nan 8.230 nan 0.000 0.435 488 R N -0.707 119.735 120.500 -0.097 0.000 2.127 488 R HA -0.129 4.211 4.340 0.000 0.000 0.238 488 R C 2.016 178.285 176.300 -0.052 0.000 1.134 488 R CA 1.419 57.477 56.100 -0.072 0.000 0.975 488 R CB -0.506 29.738 30.300 -0.093 0.000 0.865 488 R HN 0.312 nan 8.270 nan 0.000 0.447 489 V N 0.892 120.763 119.914 -0.071 0.000 2.453 489 V HA -0.190 3.930 4.120 0.000 0.000 0.247 489 V C 1.456 177.538 176.094 -0.019 0.000 1.048 489 V CA 1.815 64.087 62.300 -0.047 0.000 1.049 489 V CB -0.482 31.299 31.823 -0.069 0.000 0.672 489 V HN 0.403 nan 8.190 nan 0.000 0.457 490 N N -0.011 118.672 118.700 -0.028 0.000 2.270 490 N HA -0.135 4.605 4.740 0.000 0.000 0.181 490 N C 1.724 177.237 175.510 0.004 0.000 1.016 490 N CA 0.772 53.816 53.050 -0.010 0.000 0.870 490 N CB -0.101 38.373 38.487 -0.022 0.000 0.979 490 N HN 0.315 nan 8.380 nan 0.000 0.431 491 L N 1.423 122.644 121.223 -0.003 0.000 2.017 491 L HA -0.044 4.296 4.340 0.000 0.000 0.208 491 L C 2.145 179.027 176.870 0.021 0.000 1.073 491 L CA 1.499 56.342 54.840 0.005 0.000 0.745 491 L CB -0.942 41.118 42.059 0.002 0.000 0.894 491 L HN 0.074 nan 8.230 nan 0.000 0.432 492 A N -0.770 122.073 122.820 0.038 0.000 1.902 492 A HA -0.205 4.115 4.320 0.000 0.000 0.217 492 A C 2.238 179.899 177.584 0.128 0.000 1.181 492 A CA 2.021 54.103 52.037 0.074 0.000 0.623 492 A CB -0.536 18.515 19.000 0.085 0.000 0.818 492 A HN 0.498 nan 8.150 nan 0.000 0.443 493 M N -0.126 119.554 119.600 0.132 0.000 2.080 493 M HA -0.190 4.290 4.480 0.000 0.000 0.260 493 M C 1.834 178.227 176.300 0.155 0.000 1.068 493 M CA 1.736 57.171 55.300 0.226 0.000 1.109 493 M CB -1.612 31.056 32.600 0.115 0.000 1.342 493 M HN 0.582 nan 8.290 nan 0.000 0.405 494 N N -0.374 118.350 118.700 0.040 0.000 2.106 494 N HA -0.113 4.627 4.740 0.000 0.000 0.188 494 N C 1.758 177.195 175.510 -0.122 0.000 1.029 494 N CA 0.947 53.980 53.050 -0.029 0.000 0.848 494 N CB 0.056 38.530 38.487 -0.021 0.000 1.007 494 N HN 0.044 nan 8.380 nan 0.000 0.423 495 V N 1.038 120.878 119.914 -0.123 0.000 2.282 495 V HA -0.228 3.892 4.120 0.000 0.000 0.249 495 V C 2.409 178.206 176.094 -0.494 0.000 1.057 495 V CA 2.184 64.347 62.300 -0.229 0.000 1.032 495 V CB -1.212 30.521 31.823 -0.150 0.000 0.645 495 V HN 0.459 nan 8.190 nan 0.000 0.447 496 G N -0.548 107.956 108.800 -0.494 0.000 2.446 496 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 496 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 496 G C 1.664 175.906 174.900 -1.097 0.000 1.168 496 G CA 0.957 45.438 45.100 -1.031 0.000 0.771 496 G HN 0.480 nan 8.290 nan 0.000 0.551 497 K N 0.505 120.533 120.400 -0.619 0.000 2.097 497 K HA 0.045 4.365 4.320 0.000 0.000 0.206 497 K C 2.939 179.339 176.600 -0.334 0.000 1.049 497 K CA 0.968 57.035 56.287 -0.367 0.000 0.933 497 K CB -0.200 32.229 32.500 -0.119 0.000 0.717 497 K HN 0.278 nan 8.250 nan 0.000 0.442 498 A N 1.192 123.812 122.820 -0.333 0.000 1.898 498 A HA -0.134 4.186 4.320 0.000 0.000 0.216 498 A C 1.953 179.329 177.584 -0.346 0.000 1.181 498 A CA 1.348 53.224 52.037 -0.269 0.000 0.620 498 A CB -0.261 18.612 19.000 -0.212 0.000 0.819 498 A HN 0.091 nan 8.150 nan 0.000 0.442 499 R N -0.967 119.165 120.500 -0.614 0.000 2.323 499 R HA 0.192 4.532 4.340 0.000 0.000 0.198 499 R C 1.187 177.200 176.300 -0.478 0.000 0.988 499 R CA 0.766 56.426 56.100 -0.734 0.000 1.041 499 R CB -0.532 28.788 30.300 -1.633 0.000 0.926 499 R HN 0.782 nan 8.270 nan 0.000 0.476 500 G N -0.325 108.259 108.800 -0.360 0.000 2.198 500 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 500 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 500 G C 0.442 175.377 174.900 0.058 0.000 1.025 500 G CA 0.227 45.255 45.100 -0.119 0.000 0.769 500 G HN 0.276 nan 8.290 nan 0.000 0.507 501 F N -0.465 119.258 119.950 -0.380 0.000 2.416 501 F HA 0.385 4.912 4.527 0.000 0.000 0.296 501 F C 1.266 176.983 175.800 -0.138 0.000 1.099 501 F CA 0.369 58.178 58.000 -0.319 0.000 1.427 501 F CB -0.490 38.213 39.000 -0.495 0.000 1.079 501 F HN 0.457 nan 8.300 nan 0.000 0.536 502 F N -1.398 118.634 119.950 0.137 0.000 2.725 502 F HA 0.476 5.003 4.527 0.000 0.000 0.311 502 F C -0.939 174.875 175.800 0.023 0.000 1.121 502 F CA -2.361 55.678 58.000 0.064 0.000 0.978 502 F CB 0.495 39.528 39.000 0.055 0.000 1.274 502 F HN -0.189 nan 8.300 nan 0.000 0.440 503 K N 0.758 121.318 120.400 0.267 0.000 2.245 503 K HA 0.487 4.808 4.320 0.000 0.000 0.234 503 K C -0.690 176.006 176.600 0.162 0.000 1.021 503 K CA -1.270 55.113 56.287 0.159 0.000 0.898 503 K CB 1.467 34.017 32.500 0.084 0.000 1.163 503 K HN 0.656 nan 8.250 nan 0.000 0.459 504 K N 0.519 120.978 120.400 0.099 0.000 2.430 504 K HA -0.037 4.283 4.320 0.000 0.000 0.280 504 K C 0.312 176.938 176.600 0.044 0.000 1.063 504 K CA 1.498 57.825 56.287 0.066 0.000 1.071 504 K CB -0.337 32.188 32.500 0.041 0.000 0.899 504 K HN 0.972 nan 8.250 nan 0.000 0.473 505 G N 3.859 112.674 108.800 0.025 0.000 2.336 505 G HA2 -0.171 3.790 3.960 0.000 0.000 0.194 505 G HA3 -0.171 3.790 3.960 0.000 0.000 0.194 505 G C -0.094 174.804 174.900 -0.004 0.000 0.999 505 G CA -0.231 44.875 45.100 0.009 0.000 0.669 505 G HN 0.650 nan 8.290 nan 0.000 0.482 506 D N 0.240 120.642 120.400 0.002 0.000 2.384 506 D HA 0.495 5.136 4.640 0.000 0.000 0.244 506 D C 0.522 176.764 176.300 -0.095 0.000 1.251 506 D CA 0.219 54.206 54.000 -0.023 0.000 0.961 506 D CB 1.686 42.501 40.800 0.025 0.000 1.116 506 D HN 0.191 nan 8.370 nan 0.000 0.484 507 V N 0.656 120.507 119.914 -0.105 0.000 2.513 507 V HA 0.498 4.618 4.120 0.000 0.000 0.299 507 V C 0.201 176.182 176.094 -0.189 0.000 1.035 507 V CA -0.699 61.524 62.300 -0.129 0.000 0.889 507 V CB 1.642 33.417 31.823 -0.079 0.000 0.988 507 V HN 0.430 nan 8.190 nan 0.000 0.440 508 V N 3.193 122.975 119.914 -0.219 0.000 3.049 508 V HA 0.731 4.851 4.120 0.000 0.000 0.309 508 V C -0.582 175.423 176.094 -0.148 0.000 1.148 508 V CA -0.935 61.225 62.300 -0.233 0.000 0.990 508 V CB 2.050 33.631 31.823 -0.403 0.000 1.039 508 V HN 0.900 nan 8.190 nan 0.000 0.430 509 I N 1.438 121.942 120.570 -0.110 0.000 2.392 509 I HA 0.863 5.034 4.170 0.000 0.000 0.295 509 I C -0.848 175.236 176.117 -0.055 0.000 0.985 509 I CA -0.775 60.480 61.300 -0.074 0.000 1.221 509 I CB 1.849 39.810 38.000 -0.066 0.000 1.366 509 I HN 0.449 nan 8.210 nan 0.000 0.467 510 V N 7.205 127.096 119.914 -0.038 0.000 2.409 510 V HA 0.405 4.525 4.120 0.000 0.000 0.291 510 V C 0.041 176.139 176.094 0.006 0.000 1.020 510 V CA -0.499 61.789 62.300 -0.020 0.000 0.848 510 V CB 1.503 33.309 31.823 -0.030 0.000 0.990 510 V HN 0.612 nan 8.190 nan 0.000 0.430 511 L N 5.949 127.183 121.223 0.018 0.000 2.276 511 L HA 0.667 5.008 4.340 0.000 0.000 0.286 511 L C 0.430 177.327 176.870 0.045 0.000 1.024 511 L CA 0.037 54.903 54.840 0.043 0.000 0.826 511 L CB 1.621 43.713 42.059 0.055 0.000 1.211 511 L HN 0.903 nan 8.230 nan 0.000 0.422 512 T N -0.414 114.176 114.554 0.061 0.000 2.831 512 T HA 0.694 5.044 4.350 0.000 0.000 0.287 512 T C -0.016 174.759 174.700 0.125 0.000 1.070 512 T CA -0.722 61.416 62.100 0.064 0.000 1.010 512 T CB 1.841 70.716 68.868 0.013 0.000 1.264 512 T HN 0.458 nan 8.240 nan 0.000 0.532 513 G N -0.616 108.315 108.800 0.218 0.000 2.348 513 G HA2 0.398 4.358 3.960 0.000 0.000 0.312 513 G HA3 0.398 4.358 3.960 0.000 0.000 0.312 513 G C 0.325 175.492 174.900 0.445 0.000 1.126 513 G CA -0.883 44.390 45.100 0.287 0.000 0.865 513 G HN 0.800 nan 8.290 nan 0.000 0.474 514 W N 3.527 124.887 121.300 0.101 0.000 2.378 514 W HA -0.008 4.652 4.660 0.000 0.000 0.313 514 W C 1.013 177.644 176.519 0.187 0.000 1.197 514 W CA 0.951 58.371 57.345 0.125 0.000 1.304 514 W CB 0.329 29.785 29.460 -0.006 0.000 1.148 514 W HN 0.554 nan 8.180 nan 0.000 0.494 515 R N 0.353 120.820 120.500 -0.055 0.000 2.803 515 R HA 0.293 4.633 4.340 0.000 0.000 0.276 515 R C -1.790 173.808 176.300 -1.170 0.000 0.978 515 R CA -1.436 54.294 56.100 -0.617 0.000 0.939 515 R CB 1.140 31.250 30.300 -0.316 0.000 1.179 515 R HN -0.229 nan 8.270 nan 0.000 0.472 516 P HA -0.171 nan 4.420 nan 0.000 0.218 516 P C 1.018 177.845 177.300 -0.787 0.000 1.146 516 P CA 1.841 63.731 63.100 -2.017 0.000 0.813 516 P CB -0.035 30.908 31.700 -1.262 0.000 0.778 517 G N -0.520 107.968 108.800 -0.520 0.000 2.712 517 G HA2 -0.035 3.925 3.960 0.000 0.000 0.212 517 G HA3 -0.035 3.925 3.960 0.000 0.000 0.212 517 G C 0.514 175.308 174.900 -0.176 0.000 1.142 517 G CA -0.065 44.877 45.100 -0.263 0.000 0.789 517 G HN 0.222 nan 8.290 nan 0.000 0.535 518 S N 0.391 115.969 115.700 -0.204 0.000 2.546 518 S HA 0.285 4.755 4.470 0.000 0.000 0.290 518 S C 1.624 176.173 174.600 -0.087 0.000 1.290 518 S CA 0.152 58.260 58.200 -0.154 0.000 1.069 518 S CB 1.448 64.538 63.200 -0.184 0.000 0.846 518 S HN 0.317 nan 8.310 nan 0.000 0.495 519 G N 1.671 110.468 108.800 -0.004 0.000 2.848 519 G HA2 0.337 4.297 3.960 0.000 0.000 0.208 519 G HA3 0.337 4.297 3.960 0.000 0.000 0.208 519 G C 0.062 175.133 174.900 0.285 0.000 1.152 519 G CA 0.194 45.381 45.100 0.146 0.000 0.789 519 G HN 0.687 nan 8.290 nan 0.000 0.531 520 F N -3.517 116.459 119.950 0.044 0.000 3.122 520 F HA 0.501 5.028 4.527 0.000 0.000 0.325 520 F C -0.709 175.136 175.800 0.076 0.000 1.162 520 F CA -1.450 56.578 58.000 0.047 0.000 0.876 520 F CB 0.547 39.566 39.000 0.033 0.000 1.429 520 F HN -0.308 nan 8.300 nan 0.000 0.484 521 T N 2.172 116.836 114.554 0.183 0.000 2.855 521 T HA 0.199 4.549 4.350 0.000 0.000 0.290 521 T C 0.447 175.159 174.700 0.020 0.000 0.941 521 T CA 0.043 62.184 62.100 0.067 0.000 1.030 521 T CB -0.712 68.244 68.868 0.148 0.000 0.935 521 T HN 0.645 nan 8.240 nan 0.000 0.564 522 N N 1.132 119.641 118.700 -0.319 0.000 2.230 522 N HA 0.053 4.794 4.740 0.000 0.000 0.202 522 N C -0.230 175.276 175.510 -0.007 0.000 1.119 522 N CA -0.462 52.470 53.050 -0.197 0.000 0.851 522 N CB 0.542 38.742 38.487 -0.479 0.000 0.990 522 N HN 0.269 nan 8.380 nan 0.000 0.497 523 T N 1.156 115.746 114.554 0.059 0.000 2.840 523 T HA 0.524 4.874 4.350 0.000 0.000 0.287 523 T C -0.503 174.252 174.700 0.092 0.000 0.991 523 T CA -0.742 61.426 62.100 0.114 0.000 0.964 523 T CB 1.339 70.373 68.868 0.276 0.000 0.954 523 T HN 0.345 nan 8.240 nan 0.000 0.438 524 M N 2.408 122.045 119.600 0.063 0.000 2.530 524 M HA 0.820 5.300 4.480 0.000 0.000 0.307 524 M C -1.111 175.207 176.300 0.030 0.000 1.161 524 M CA -0.510 54.815 55.300 0.041 0.000 0.903 524 M CB 2.221 34.837 32.600 0.027 0.000 1.711 524 M HN 0.351 nan 8.290 nan 0.000 0.451 525 R N 1.556 122.065 120.500 0.014 0.000 2.740 525 R HA 0.790 5.130 4.340 0.000 0.000 0.273 525 R C -1.693 174.594 176.300 -0.021 0.000 0.998 525 R CA -1.145 54.958 56.100 0.004 0.000 0.900 525 R CB 2.771 33.080 30.300 0.016 0.000 1.223 525 R HN 0.641 nan 8.270 nan 0.000 0.466 526 V N 2.928 122.826 119.914 -0.026 0.000 2.370 526 V HA 0.463 4.583 4.120 0.000 0.000 0.279 526 V C -0.442 175.625 176.094 -0.045 0.000 1.029 526 V CA -0.440 61.834 62.300 -0.044 0.000 0.870 526 V CB 1.557 33.357 31.823 -0.039 0.000 0.984 526 V HN 0.433 nan 8.190 nan 0.000 0.451 527 V N 6.676 126.549 119.914 -0.067 0.000 2.925 527 V HA 0.493 4.613 4.120 0.000 0.000 0.311 527 V C -2.710 173.328 176.094 -0.093 0.000 1.104 527 V CA -2.118 60.140 62.300 -0.069 0.000 0.954 527 V CB 2.639 34.422 31.823 -0.067 0.000 1.022 527 V HN 0.657 nan 8.190 nan 0.000 0.427 528 P HA 0.218 nan 4.420 nan 0.000 0.286 528 P C 0.695 177.942 177.300 -0.088 0.000 1.269 528 P CA -0.010 63.045 63.100 -0.075 0.000 0.787 528 P CB 1.559 33.233 31.700 -0.044 0.000 0.920 529 V N 5.090 124.933 119.914 -0.118 0.000 2.343 529 V HA -0.054 4.066 4.120 0.000 0.000 0.247 529 V C -1.396 174.690 176.094 -0.013 0.000 1.051 529 V CA 1.405 63.642 62.300 -0.106 0.000 1.036 529 V CB -1.896 29.848 31.823 -0.133 0.000 0.654 529 V HN 0.583 nan 8.190 nan 0.000 0.451 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.108 63.100 0.013 0.000 0.800 530 P CB 0.000 31.700 31.700 0.000 0.000 0.726