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 1aqf_1_A 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 KLFEELARSS SHSTDLMEAM 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 0.000 176.110 176.117 -0.012 0.000 1.063 12 I CA 0.000 61.285 61.300 -0.025 0.000 1.566 12 I CB 0.000 37.990 38.000 -0.017 0.000 1.214 13 Q N 2.169 121.962 119.800 -0.012 0.000 2.614 13 Q HA 0.298 4.639 4.340 0.001 0.000 0.244 13 Q C 0.045 176.060 176.000 0.026 0.000 1.097 13 Q CA 0.398 56.209 55.803 0.013 0.000 0.986 13 Q CB 0.807 29.563 28.738 0.029 0.000 1.308 13 Q HN 0.664 nan 8.270 nan 0.000 0.546 14 T N -1.799 112.776 114.554 0.034 0.000 2.940 14 T HA 0.274 4.624 4.350 0.001 0.000 0.288 14 T C -0.085 174.644 174.700 0.048 0.000 1.033 14 T CA -0.788 61.334 62.100 0.036 0.000 1.033 14 T CB 1.621 70.509 68.868 0.032 0.000 1.079 14 T HN 0.734 nan 8.240 nan 0.000 0.496 15 Q N 0.734 120.561 119.800 0.046 0.000 2.480 15 Q HA -0.226 4.114 4.340 0.001 0.000 0.265 15 Q C -0.263 175.786 176.000 0.082 0.000 1.072 15 Q CA 0.665 56.505 55.803 0.061 0.000 1.018 15 Q CB -1.010 27.764 28.738 0.061 0.000 1.433 15 Q HN 0.825 nan 8.270 nan 0.000 0.513 16 Q N -2.661 117.180 119.800 0.068 0.000 2.481 16 Q HA -0.250 4.091 4.340 0.001 0.000 0.272 16 Q C 0.569 176.634 176.000 0.108 0.000 1.157 16 Q CA 1.496 57.341 55.803 0.071 0.000 0.935 16 Q CB -2.011 26.760 28.738 0.056 0.000 1.338 16 Q HN 0.671 nan 8.270 nan 0.000 0.494 17 L N -1.010 120.279 121.223 0.110 0.000 2.265 17 L HA -0.177 4.163 4.340 0.001 0.000 0.215 17 L C 2.267 179.229 176.870 0.153 0.000 1.117 17 L CA 1.532 56.444 54.840 0.120 0.000 0.782 17 L CB -0.340 41.776 42.059 0.095 0.000 0.914 17 L HN 0.323 nan 8.230 nan 0.000 0.441 18 H N 0.006 119.098 119.070 0.037 0.000 2.363 18 H HA -0.017 4.540 4.556 0.001 0.000 0.301 18 H C 2.131 177.477 175.328 0.030 0.000 1.074 18 H CA 1.254 57.316 56.048 0.025 0.000 1.354 18 H CB 0.119 29.882 29.762 0.002 0.000 1.397 18 H HN 0.219 nan 8.280 nan 0.000 0.516 19 A N 0.633 123.416 122.820 -0.062 0.000 2.067 19 A HA 0.039 4.360 4.320 0.001 0.000 0.219 19 A C 2.541 180.199 177.584 0.123 0.000 1.158 19 A CA 1.295 53.249 52.037 -0.137 0.000 0.661 19 A CB -1.052 17.761 19.000 -0.311 0.000 0.801 19 A HN 0.572 nan 8.150 nan 0.000 0.452 20 A N 0.084 122.994 122.820 0.149 0.000 1.933 20 A HA -0.139 4.181 4.320 0.001 0.000 0.218 20 A C 2.065 179.775 177.584 0.211 0.000 1.175 20 A CA 1.777 53.936 52.037 0.204 0.000 0.628 20 A CB -0.503 18.599 19.000 0.170 0.000 0.814 20 A HN 0.528 nan 8.150 nan 0.000 0.444 21 M N -0.015 119.660 119.600 0.124 0.000 2.618 21 M HA 0.217 4.697 4.480 0.001 0.000 0.240 21 M C 1.142 177.510 176.300 0.113 0.000 1.123 21 M CA 0.421 55.789 55.300 0.113 0.000 1.060 21 M CB -1.331 31.325 32.600 0.094 0.000 1.535 21 M HN 0.355 nan 8.290 nan 0.000 0.507 22 A N 1.656 124.533 122.820 0.094 0.000 2.547 22 A HA -0.044 4.276 4.320 0.001 0.000 0.233 22 A C 0.476 178.205 177.584 0.242 0.000 1.067 22 A CA 0.542 52.629 52.037 0.082 0.000 0.763 22 A CB 0.014 19.000 19.000 -0.023 0.000 1.007 22 A HN 0.394 nan 8.150 nan 0.000 0.506 23 D N -1.190 119.318 120.400 0.180 0.000 2.355 23 D HA 0.119 4.760 4.640 0.001 0.000 0.206 23 D C 0.663 177.108 176.300 0.242 0.000 1.010 23 D CA 1.548 55.658 54.000 0.184 0.000 0.875 23 D CB 0.302 41.162 40.800 0.100 0.000 0.966 23 D HN 0.756 nan 8.370 nan 0.000 0.512 24 T N -2.820 111.891 114.554 0.262 0.000 2.908 24 T HA 0.218 4.569 4.350 0.001 0.000 0.290 24 T C 0.601 175.542 174.700 0.401 0.000 1.034 24 T CA -0.844 61.431 62.100 0.292 0.000 1.010 24 T CB 1.494 70.461 68.868 0.164 0.000 1.068 24 T HN -0.209 nan 8.240 nan 0.000 0.481 25 F N 1.413 121.520 119.950 0.261 0.000 2.025 25 F HA -0.069 4.459 4.527 0.001 0.000 0.297 25 F C 2.051 177.868 175.800 0.028 0.000 1.132 25 F CA 1.342 59.447 58.000 0.175 0.000 1.191 25 F CB -0.988 38.119 39.000 0.178 0.000 0.963 25 F HN 0.581 nan 8.300 nan 0.000 0.481 26 L N 0.812 122.012 121.223 -0.039 0.000 2.051 26 L HA -0.254 4.087 4.340 0.001 0.000 0.214 26 L C 2.363 179.143 176.870 -0.149 0.000 1.076 26 L CA 2.191 56.923 54.840 -0.181 0.000 0.758 26 L CB -0.971 41.044 42.059 -0.074 0.000 0.890 26 L HN 0.253 nan 8.230 nan 0.000 0.433 27 E N -1.671 118.496 120.200 -0.054 0.000 2.152 27 E HA -0.260 4.090 4.350 0.001 0.000 0.192 27 E C 2.047 178.556 176.600 -0.151 0.000 0.983 27 E CA 1.037 57.389 56.400 -0.081 0.000 0.818 27 E CB -0.078 29.604 29.700 -0.030 0.000 0.758 27 E HN 0.714 nan 8.360 nan 0.000 0.467 28 H N 0.751 119.651 119.070 -0.283 0.000 2.321 28 H HA -0.066 4.490 4.556 0.001 0.000 0.300 28 H C 2.092 177.211 175.328 -0.348 0.000 1.087 28 H CA 1.991 57.760 56.048 -0.465 0.000 1.319 28 H CB -0.086 29.126 29.762 -0.917 0.000 1.379 28 H HN 0.029 nan 8.280 nan 0.000 0.501 29 M N -0.611 118.698 119.600 -0.485 0.000 2.086 29 M HA -0.208 4.273 4.480 0.001 0.000 0.261 29 M C 2.539 178.630 176.300 -0.349 0.000 1.067 29 M CA 1.548 56.563 55.300 -0.475 0.000 1.116 29 M CB -0.651 31.690 32.600 -0.433 0.000 1.348 29 M HN 0.402 nan 8.290 nan 0.000 0.407 30 C N 0.408 119.548 119.300 -0.266 0.000 2.401 30 C HA -0.148 4.313 4.460 0.001 0.000 0.286 30 C C 2.334 177.218 174.990 -0.176 0.000 1.332 30 C CA 0.929 59.835 59.018 -0.187 0.000 1.795 30 C CB -1.530 26.129 27.740 -0.136 0.000 1.922 30 C HN 0.485 nan 8.230 nan 0.000 0.520 31 R N -0.025 120.330 120.500 -0.241 0.000 2.362 31 R HA 0.305 4.645 4.340 0.001 0.000 0.227 31 R C 0.047 176.240 176.300 -0.178 0.000 0.905 31 R CA -0.152 55.832 56.100 -0.193 0.000 1.067 31 R CB -0.123 30.011 30.300 -0.277 0.000 1.078 31 R HN 0.416 nan 8.270 nan 0.000 0.516 32 L N 2.253 123.331 121.223 -0.241 0.000 2.490 32 L HA 0.042 4.383 4.340 0.001 0.000 0.274 32 L C -0.145 176.665 176.870 -0.100 0.000 1.201 32 L CA 0.252 54.977 54.840 -0.191 0.000 0.869 32 L CB 0.173 42.103 42.059 -0.214 0.000 1.123 32 L HN 0.064 nan 8.230 nan 0.000 0.484 33 D N 2.685 123.049 120.400 -0.060 0.000 2.788 33 D HA 0.202 4.842 4.640 0.001 0.000 0.247 33 D C 0.654 176.939 176.300 -0.024 0.000 1.236 33 D CA -0.662 53.319 54.000 -0.031 0.000 0.898 33 D CB 1.277 42.075 40.800 -0.002 0.000 1.401 33 D HN 0.456 nan 8.370 nan 0.000 0.549 34 I N -0.127 120.428 120.570 -0.026 0.000 3.010 34 I HA 0.014 4.184 4.170 0.001 0.000 0.271 34 I C 0.001 176.111 176.117 -0.012 0.000 1.293 34 I CA 0.958 62.246 61.300 -0.020 0.000 1.452 34 I CB 0.106 38.093 38.000 -0.022 0.000 1.082 34 I HN 0.113 nan 8.210 nan 0.000 0.484 35 D N 0.644 121.038 120.400 -0.009 0.000 2.433 35 D HA 0.136 4.777 4.640 0.001 0.000 0.211 35 D C 0.320 176.621 176.300 0.001 0.000 1.114 35 D CA 0.220 54.217 54.000 -0.004 0.000 0.837 35 D CB 0.691 41.488 40.800 -0.005 0.000 0.984 35 D HN 0.167 nan 8.370 nan 0.000 0.505 36 S N 0.991 116.694 115.700 0.004 0.000 2.400 36 S HA 0.463 4.934 4.470 0.001 0.000 0.295 36 S C 0.134 174.741 174.600 0.012 0.000 1.113 36 S CA -0.568 57.639 58.200 0.013 0.000 1.064 36 S CB 0.409 63.622 63.200 0.021 0.000 0.990 36 S HN 0.224 nan 8.310 nan 0.000 0.502 37 A N 7.327 130.155 122.820 0.013 0.000 2.450 37 A HA 0.519 4.839 4.320 0.001 0.000 0.255 37 A C -1.990 175.604 177.584 0.017 0.000 1.096 37 A CA -1.088 50.957 52.037 0.013 0.000 0.778 37 A CB -0.125 18.884 19.000 0.014 0.000 1.031 37 A HN 0.532 nan 8.150 nan 0.000 0.494 38 P HA 0.394 nan 4.420 nan 0.000 0.286 38 P C -0.194 177.110 177.300 0.008 0.000 1.293 38 P CA -0.324 62.781 63.100 0.009 0.000 0.770 38 P CB 0.306 32.001 31.700 -0.008 0.000 1.206 39 I N -4.137 116.432 120.570 -0.002 0.000 2.783 39 I HA 0.353 4.523 4.170 0.001 0.000 0.312 39 I C 1.379 177.486 176.117 -0.017 0.000 0.988 39 I CA -0.560 60.736 61.300 -0.006 0.000 1.182 39 I CB -0.009 37.979 38.000 -0.020 0.000 1.368 39 I HN 0.112 nan 8.210 nan 0.000 0.511 40 T N 2.430 116.991 114.554 0.012 0.000 2.684 40 T HA -0.086 4.265 4.350 0.001 0.000 0.267 40 T C 1.093 175.802 174.700 0.015 0.000 1.036 40 T CA 1.625 63.761 62.100 0.059 0.000 1.148 40 T CB -0.314 68.654 68.868 0.166 0.000 0.863 40 T HN 0.792 nan 8.240 nan 0.000 0.436 41 A N 1.561 124.280 122.820 -0.167 0.000 2.520 41 A HA 0.364 4.685 4.320 0.001 0.000 0.235 41 A C 0.583 178.087 177.584 -0.134 0.000 1.065 41 A CA 0.099 51.943 52.037 -0.322 0.000 0.764 41 A CB 0.152 18.687 19.000 -0.775 0.000 1.002 41 A HN 0.349 nan 8.150 nan 0.000 0.502 42 R N 1.687 122.162 120.500 -0.041 0.000 2.468 42 R HA 0.212 4.552 4.340 0.001 0.000 0.302 42 R C -0.391 175.958 176.300 0.082 0.000 1.041 42 R CA -0.253 55.855 56.100 0.013 0.000 0.899 42 R CB 0.719 31.044 30.300 0.042 0.000 1.167 42 R HN 0.989 nan 8.270 nan 0.000 0.483 43 N N 0.204 118.939 118.700 0.059 0.000 2.376 43 N HA -0.031 4.710 4.740 0.001 0.000 0.177 43 N C -0.293 175.280 175.510 0.105 0.000 1.024 43 N CA 0.497 53.605 53.050 0.096 0.000 0.893 43 N CB 0.358 38.896 38.487 0.085 0.000 0.980 43 N HN 0.374 nan 8.380 nan 0.000 0.439 44 T N 1.149 115.750 114.554 0.079 0.000 2.769 44 T HA 0.209 4.560 4.350 0.001 0.000 0.293 44 T C 0.832 175.576 174.700 0.073 0.000 0.931 44 T CA -0.538 61.602 62.100 0.066 0.000 1.139 44 T CB 0.820 69.715 68.868 0.044 0.000 0.881 44 T HN 0.178 nan 8.240 nan 0.000 0.532 45 G N 3.135 111.975 108.800 0.066 0.000 2.353 45 G HA2 0.373 4.333 3.960 0.001 0.000 0.239 45 G HA3 0.373 4.333 3.960 0.001 0.000 0.239 45 G C -0.227 174.692 174.900 0.032 0.000 1.295 45 G CA -0.517 44.617 45.100 0.056 0.000 0.884 45 G HN 0.804 nan 8.290 nan 0.000 0.537 46 I N 3.027 123.607 120.570 0.017 0.000 2.354 46 I HA 0.270 4.441 4.170 0.001 0.000 0.286 46 I C -0.077 176.041 176.117 0.002 0.000 1.007 46 I CA -0.432 60.879 61.300 0.019 0.000 1.167 46 I CB 1.459 39.478 38.000 0.030 0.000 1.320 46 I HN 0.210 nan 8.210 nan 0.000 0.458 47 I N 5.860 126.446 120.570 0.026 0.000 2.339 47 I HA 0.318 4.488 4.170 0.001 0.000 0.290 47 I C -0.357 175.792 176.117 0.055 0.000 0.994 47 I CA -0.367 60.962 61.300 0.048 0.000 1.191 47 I CB 1.503 39.558 38.000 0.092 0.000 1.343 47 I HN 0.552 nan 8.210 nan 0.000 0.458 48 C N 3.858 123.184 119.300 0.044 0.000 2.391 48 C HA 0.457 4.917 4.460 0.001 0.000 0.339 48 C C 0.658 175.686 174.990 0.063 0.000 1.205 48 C CA -0.524 58.523 59.018 0.050 0.000 1.937 48 C CB 1.244 29.005 27.740 0.034 0.000 2.341 48 C HN 0.652 nan 8.230 nan 0.000 0.516 49 T N 4.346 118.945 114.554 0.076 0.000 2.738 49 T HA 0.352 4.702 4.350 0.001 0.000 0.298 49 T C 0.191 174.944 174.700 0.088 0.000 0.962 49 T CA -0.066 62.089 62.100 0.091 0.000 0.972 49 T CB -0.060 68.873 68.868 0.107 0.000 0.928 49 T HN 0.386 nan 8.240 nan 0.000 0.474 50 I N 3.145 123.767 120.570 0.086 0.000 2.474 50 I HA 0.597 4.768 4.170 0.001 0.000 0.287 50 I C 0.994 177.184 176.117 0.122 0.000 1.048 50 I CA 0.061 61.410 61.300 0.081 0.000 1.383 50 I CB 0.639 38.673 38.000 0.056 0.000 1.412 50 I HN 0.796 nan 8.210 nan 0.000 0.531 51 G N 6.327 115.191 108.800 0.107 0.000 2.578 51 G HA2 0.362 4.322 3.960 0.001 0.000 0.302 51 G HA3 0.362 4.322 3.960 0.001 0.000 0.302 51 G C -2.574 172.400 174.900 0.122 0.000 1.243 51 G CA -0.278 44.919 45.100 0.162 0.000 0.843 51 G HN 0.266 nan 8.290 nan 0.000 0.486 52 P HA -0.190 nan 4.420 nan 0.000 0.219 52 P C 1.954 179.285 177.300 0.050 0.000 1.161 52 P CA 3.054 66.212 63.100 0.096 0.000 0.909 52 P CB -0.092 31.647 31.700 0.064 0.000 0.793 53 A N -0.748 122.096 122.820 0.040 0.000 2.014 53 A HA -0.047 4.273 4.320 0.001 0.000 0.218 53 A C 1.950 179.544 177.584 0.017 0.000 1.163 53 A CA 1.862 53.909 52.037 0.018 0.000 0.652 53 A CB -0.875 18.130 19.000 0.009 0.000 0.808 53 A HN 0.392 nan 8.150 nan 0.000 0.449 54 S N -2.341 113.376 115.700 0.028 0.000 2.780 54 S HA 0.254 4.725 4.470 0.001 0.000 0.248 54 S C 1.291 175.902 174.600 0.018 0.000 1.036 54 S CA -0.079 58.135 58.200 0.023 0.000 1.061 54 S CB -0.058 63.161 63.200 0.031 0.000 1.037 54 S HN 0.482 nan 8.310 nan 0.000 0.584 55 R N 2.572 123.081 120.500 0.015 0.000 2.105 55 R HA -0.032 4.308 4.340 0.001 0.000 0.239 55 R C 0.695 176.986 176.300 -0.015 0.000 1.135 55 R CA 1.292 57.385 56.100 -0.012 0.000 0.967 55 R CB -0.394 29.893 30.300 -0.022 0.000 0.861 55 R HN 0.619 nan 8.270 nan 0.000 0.442 56 S N -0.776 114.923 115.700 -0.003 0.000 2.586 56 S HA -0.069 4.401 4.470 0.001 0.000 0.256 56 S C 1.324 175.924 174.600 0.001 0.000 1.392 56 S CA -0.408 57.790 58.200 -0.002 0.000 0.983 56 S CB 0.831 64.032 63.200 0.001 0.000 0.897 56 S HN -0.040 nan 8.310 nan 0.000 0.566 57 V N 0.738 120.652 119.914 -0.000 0.000 2.436 57 V HA -0.027 4.093 4.120 0.001 0.000 0.240 57 V C 2.586 178.685 176.094 0.010 0.000 1.040 57 V CA 1.159 63.461 62.300 0.003 0.000 1.052 57 V CB -0.771 31.048 31.823 -0.007 0.000 0.707 57 V HN 0.772 nan 8.190 nan 0.000 0.469 58 E N 0.159 120.361 120.200 0.005 0.000 2.160 58 E HA -0.197 4.153 4.350 0.001 0.000 0.195 58 E C 2.250 178.865 176.600 0.025 0.000 0.991 58 E CA 1.800 58.207 56.400 0.010 0.000 0.810 58 E CB -0.352 29.350 29.700 0.004 0.000 0.742 58 E HN 0.512 nan 8.360 nan 0.000 0.466 59 T N 1.310 115.875 114.554 0.019 0.000 2.812 59 T HA -0.088 4.263 4.350 0.001 0.000 0.264 59 T C 1.827 176.548 174.700 0.034 0.000 1.042 59 T CA 0.355 62.468 62.100 0.023 0.000 1.140 59 T CB -0.098 68.777 68.868 0.013 0.000 0.870 59 T HN -0.020 nan 8.240 nan 0.000 0.445 60 L N 1.964 123.208 121.223 0.034 0.000 1.990 60 L HA -0.120 4.221 4.340 0.001 0.000 0.213 60 L C 2.385 179.304 176.870 0.081 0.000 1.072 60 L CA 1.800 56.667 54.840 0.045 0.000 0.755 60 L CB -0.726 41.357 42.059 0.040 0.000 0.889 60 L HN 0.265 nan 8.230 nan 0.000 0.432 61 K N -1.002 119.461 120.400 0.105 0.000 2.063 61 K HA -0.237 4.084 4.320 0.001 0.000 0.208 61 K C 1.994 178.708 176.600 0.190 0.000 1.048 61 K CA 1.430 57.843 56.287 0.210 0.000 0.928 61 K CB -0.340 32.260 32.500 0.166 0.000 0.713 61 K HN 0.175 nan 8.250 nan 0.000 0.442 62 E N 1.051 121.317 120.200 0.109 0.000 2.110 62 E HA -0.051 4.299 4.350 0.001 0.000 0.193 62 E C 1.802 178.427 176.600 0.041 0.000 0.988 62 E CA 1.202 57.646 56.400 0.073 0.000 0.804 62 E CB -0.074 29.655 29.700 0.049 0.000 0.745 62 E HN 0.254 nan 8.360 nan 0.000 0.458 63 M N -0.719 118.903 119.600 0.037 0.000 2.595 63 M HA 0.091 4.572 4.480 0.001 0.000 0.248 63 M C 1.371 177.664 176.300 -0.013 0.000 1.119 63 M CA 0.411 55.718 55.300 0.011 0.000 1.079 63 M CB 0.284 32.893 32.600 0.015 0.000 1.472 63 M HN 0.108 nan 8.290 nan 0.000 0.501 64 I N -0.617 119.955 120.570 0.002 0.000 3.035 64 I HA -0.146 4.025 4.170 0.001 0.000 0.271 64 I C 1.962 177.999 176.117 -0.132 0.000 1.190 64 I CA 0.771 62.039 61.300 -0.053 0.000 1.472 64 I CB -0.085 37.923 38.000 0.014 0.000 1.116 64 I HN 0.224 nan 8.210 nan 0.000 0.443 65 K N 0.392 120.732 120.400 -0.101 0.000 2.167 65 K HA -0.012 4.308 4.320 0.001 0.000 0.203 65 K C 2.232 178.762 176.600 -0.116 0.000 1.052 65 K CA 0.969 57.177 56.287 -0.131 0.000 0.956 65 K CB 0.098 32.569 32.500 -0.048 0.000 0.735 65 K HN 0.100 nan 8.250 nan 0.000 0.451 66 S N -0.647 114.996 115.700 -0.096 0.000 2.371 66 S HA -0.035 4.435 4.470 0.001 0.000 0.224 66 S C 1.472 175.947 174.600 -0.208 0.000 1.029 66 S CA 1.364 59.488 58.200 -0.127 0.000 0.978 66 S CB 0.330 63.490 63.200 -0.066 0.000 0.833 66 S HN 0.615 nan 8.310 nan 0.000 0.466 67 G N -0.348 108.366 108.800 -0.142 0.000 4.080 67 G HA2 -0.018 3.942 3.960 0.001 0.000 0.219 67 G HA3 -0.018 3.942 3.960 0.001 0.000 0.219 67 G C 0.121 174.969 174.900 -0.085 0.000 0.843 67 G CA -0.412 44.614 45.100 -0.123 0.000 0.856 67 G HN 0.301 nan 8.290 nan 0.000 0.616 68 M N 1.523 121.073 119.600 -0.084 0.000 2.261 68 M HA 0.173 4.654 4.480 0.001 0.000 0.350 68 M C 0.854 177.046 176.300 -0.180 0.000 1.343 68 M CA 1.131 56.375 55.300 -0.093 0.000 1.003 68 M CB 0.250 32.818 32.600 -0.055 0.000 1.848 68 M HN 0.281 nan 8.290 nan 0.000 0.456 69 N N 2.385 120.946 118.700 -0.232 0.000 2.419 69 N HA 0.203 4.943 4.740 0.001 0.000 0.216 69 N C -1.155 174.173 175.510 -0.303 0.000 1.118 69 N CA -0.245 52.510 53.050 -0.491 0.000 0.850 69 N CB 1.062 39.128 38.487 -0.701 0.000 1.292 69 N HN 0.389 nan 8.380 nan 0.000 0.467 70 V N 0.975 120.810 119.914 -0.132 0.000 2.623 70 V HA 0.714 4.834 4.120 0.001 0.000 0.304 70 V C -1.031 175.057 176.094 -0.010 0.000 1.054 70 V CA -1.161 61.115 62.300 -0.039 0.000 0.882 70 V CB 1.554 33.398 31.823 0.036 0.000 1.002 70 V HN 0.155 nan 8.190 nan 0.000 0.424 71 A N 5.064 127.876 122.820 -0.015 0.000 2.274 71 A HA 0.787 5.108 4.320 0.001 0.000 0.309 71 A C -0.025 177.541 177.584 -0.029 0.000 1.226 71 A CA -0.550 51.484 52.037 -0.005 0.000 0.853 71 A CB 0.581 19.581 19.000 0.001 0.000 1.146 71 A HN 0.847 nan 8.150 nan 0.000 0.518 72 R N 3.290 123.785 120.500 -0.007 0.000 2.343 72 R HA 0.517 4.858 4.340 0.001 0.000 0.320 72 R C -1.407 174.892 176.300 -0.002 0.000 0.956 72 R CA -0.709 55.358 56.100 -0.055 0.000 0.836 72 R CB 0.692 31.010 30.300 0.030 0.000 1.151 72 R HN 0.572 nan 8.270 nan 0.000 0.450 73 M N 3.908 123.486 119.600 -0.036 0.000 2.094 73 M HA 0.179 4.660 4.480 0.001 0.000 0.348 73 M C -0.338 176.019 176.300 0.095 0.000 1.267 73 M CA -1.240 54.074 55.300 0.024 0.000 1.125 73 M CB 0.436 33.080 32.600 0.073 0.000 1.527 73 M HN 0.409 nan 8.290 nan 0.000 0.447 74 N N 2.427 121.204 118.700 0.128 0.000 2.402 74 N HA 0.062 4.803 4.740 0.001 0.000 0.259 74 N C -0.223 175.380 175.510 0.155 0.000 1.167 74 N CA 0.123 53.273 53.050 0.167 0.000 0.949 74 N CB 0.048 38.643 38.487 0.180 0.000 1.212 74 N HN 0.368 nan 8.380 nan 0.000 0.493 75 F N 1.161 121.057 119.950 -0.090 0.000 2.802 75 F HA 0.039 4.567 4.527 0.001 0.000 0.302 75 F C 1.838 177.629 175.800 -0.015 0.000 1.211 75 F CA 0.176 58.147 58.000 -0.047 0.000 1.431 75 F CB -0.328 38.627 39.000 -0.076 0.000 1.114 75 F HN 0.452 nan 8.300 nan 0.000 0.567 76 S N -2.122 113.557 115.700 -0.036 0.000 2.562 76 S HA 0.068 4.538 4.470 0.001 0.000 0.221 76 S C 0.194 174.554 174.600 -0.400 0.000 0.975 76 S CA 0.235 58.295 58.200 -0.232 0.000 0.918 76 S CB -0.358 62.632 63.200 -0.349 0.000 0.772 76 S HN 0.439 nan 8.310 nan 0.000 0.531 77 H N -0.734 118.381 119.070 0.076 0.000 2.949 77 H HA 0.596 5.152 4.556 0.001 0.000 0.356 77 H C 0.419 175.729 175.328 -0.030 0.000 1.212 77 H CA -0.353 55.705 56.048 0.016 0.000 1.136 77 H CB 1.292 31.064 29.762 0.016 0.000 1.869 77 H HN 0.251 nan 8.280 nan 0.000 0.556 78 G N 0.571 109.361 108.800 -0.015 0.000 2.819 78 G HA2 -0.158 3.803 3.960 0.001 0.000 0.682 78 G HA3 -0.158 3.803 3.960 0.001 0.000 0.682 78 G C -0.044 174.742 174.900 -0.190 0.000 1.481 78 G CA -0.320 44.615 45.100 -0.274 0.000 0.904 78 G HN 0.856 nan 8.290 nan 0.000 0.563 79 T N -1.982 112.455 114.554 -0.195 0.000 2.922 79 T HA 0.542 4.893 4.350 0.001 0.000 0.285 79 T C 1.350 176.014 174.700 -0.060 0.000 1.005 79 T CA 0.433 62.481 62.100 -0.087 0.000 1.061 79 T CB 1.341 70.168 68.868 -0.069 0.000 1.007 79 T HN 0.676 nan 8.240 nan 0.000 0.502 80 H N 1.024 119.959 119.070 -0.225 0.000 2.400 80 H HA -0.190 4.367 4.556 0.001 0.000 0.295 80 H C 2.108 177.326 175.328 -0.184 0.000 1.118 80 H CA 2.051 57.874 56.048 -0.375 0.000 1.256 80 H CB 0.241 29.752 29.762 -0.418 0.000 1.365 80 H HN 0.910 nan 8.280 nan 0.000 0.502 81 E N 0.253 120.490 120.200 0.061 0.000 2.418 81 E HA -0.179 4.172 4.350 0.001 0.000 0.197 81 E C 1.770 178.410 176.600 0.068 0.000 1.026 81 E CA 0.807 57.260 56.400 0.088 0.000 0.862 81 E CB -0.334 29.415 29.700 0.082 0.000 0.799 81 E HN 0.594 nan 8.360 nan 0.000 0.518 82 Y N 0.810 121.016 120.300 -0.157 0.000 2.269 82 Y HA -0.058 4.493 4.550 0.001 0.000 0.294 82 Y C 2.031 177.794 175.900 -0.228 0.000 1.120 82 Y CA 1.594 59.551 58.100 -0.238 0.000 1.159 82 Y CB -0.065 38.162 38.460 -0.389 0.000 1.024 82 Y HN 0.048 nan 8.280 nan 0.000 0.532 83 H N -0.037 118.995 119.070 -0.062 0.000 2.326 83 H HA -0.042 4.514 4.556 0.001 0.000 0.301 83 H C 2.405 177.765 175.328 0.053 0.000 1.081 83 H CA 1.321 57.326 56.048 -0.072 0.000 1.334 83 H CB -0.934 28.809 29.762 -0.031 0.000 1.385 83 H HN 0.481 nan 8.280 nan 0.000 0.504 84 A N 0.982 123.984 122.820 0.302 0.000 1.958 84 A HA -0.249 4.072 4.320 0.001 0.000 0.221 84 A C 2.379 180.042 177.584 0.131 0.000 1.178 84 A CA 2.067 54.294 52.037 0.317 0.000 0.642 84 A CB -0.475 18.762 19.000 0.395 0.000 0.816 84 A HN 0.552 nan 8.150 nan 0.000 0.453 85 E N -0.753 119.470 120.200 0.038 0.000 2.046 85 E HA -0.136 4.215 4.350 0.001 0.000 0.190 85 E C 2.095 178.660 176.600 -0.058 0.000 0.982 85 E CA 1.566 57.952 56.400 -0.024 0.000 0.800 85 E CB -0.131 29.534 29.700 -0.059 0.000 0.756 85 E HN 0.689 nan 8.360 nan 0.000 0.449 86 T N 1.335 115.803 114.554 -0.143 0.000 2.737 86 T HA -0.175 4.175 4.350 0.001 0.000 0.269 86 T C 1.974 176.668 174.700 -0.011 0.000 1.040 86 T CA 1.278 63.305 62.100 -0.122 0.000 1.142 86 T CB -0.297 68.483 68.868 -0.146 0.000 0.861 86 T HN 0.178 nan 8.240 nan 0.000 0.456 87 I N 1.414 122.013 120.570 0.047 0.000 2.252 87 I HA -0.145 4.025 4.170 0.001 0.000 0.245 87 I C 2.852 178.992 176.117 0.038 0.000 1.102 87 I CA 1.286 62.623 61.300 0.062 0.000 1.385 87 I CB -0.464 37.598 38.000 0.104 0.000 1.064 87 I HN 0.270 nan 8.210 nan 0.000 0.414 88 K N 1.980 122.400 120.400 0.033 0.000 2.097 88 K HA -0.186 4.135 4.320 0.001 0.000 0.206 88 K C 1.431 178.041 176.600 0.017 0.000 1.049 88 K CA 1.873 58.175 56.287 0.024 0.000 0.933 88 K CB -0.468 32.045 32.500 0.022 0.000 0.717 88 K HN 0.493 nan 8.250 nan 0.000 0.442 89 N N 0.643 119.347 118.700 0.006 0.000 2.166 89 N HA -0.138 4.602 4.740 0.001 0.000 0.186 89 N C 1.954 177.475 175.510 0.017 0.000 1.019 89 N CA 1.154 54.206 53.050 0.003 0.000 0.856 89 N CB -0.123 38.358 38.487 -0.011 0.000 0.993 89 N HN -0.047 nan 8.380 nan 0.000 0.426 90 V N 2.174 122.100 119.914 0.021 0.000 2.255 90 V HA -0.249 3.872 4.120 0.001 0.000 0.247 90 V C 2.308 178.431 176.094 0.048 0.000 1.051 90 V CA 1.702 64.022 62.300 0.032 0.000 1.018 90 V CB -0.539 31.301 31.823 0.028 0.000 0.641 90 V HN 0.323 nan 8.190 nan 0.000 0.445 91 R N -0.303 120.225 120.500 0.046 0.000 2.105 91 R HA -0.154 4.187 4.340 0.001 0.000 0.239 91 R C 2.322 178.661 176.300 0.066 0.000 1.135 91 R CA 1.886 58.023 56.100 0.061 0.000 0.967 91 R CB -1.041 29.287 30.300 0.047 0.000 0.861 91 R HN 0.486 nan 8.270 nan 0.000 0.442 92 T N 1.388 115.965 114.554 0.039 0.000 2.622 92 T HA -0.178 4.173 4.350 0.001 0.000 0.266 92 T C 2.076 176.788 174.700 0.020 0.000 1.047 92 T CA 1.681 63.795 62.100 0.022 0.000 1.159 92 T CB -0.363 68.507 68.868 0.004 0.000 0.863 92 T HN 0.437 nan 8.240 nan 0.000 0.422 93 A N 1.357 124.195 122.820 0.031 0.000 1.859 93 A HA -0.203 4.118 4.320 0.001 0.000 0.217 93 A C 2.561 180.227 177.584 0.136 0.000 1.198 93 A CA 2.548 54.613 52.037 0.047 0.000 0.629 93 A CB -1.541 17.505 19.000 0.077 0.000 0.830 93 A HN 0.505 nan 8.150 nan 0.000 0.446 94 T N 0.349 115.008 114.554 0.174 0.000 2.624 94 T HA -0.171 4.180 4.350 0.001 0.000 0.268 94 T C 1.613 176.544 174.700 0.385 0.000 1.041 94 T CA 1.731 63.978 62.100 0.244 0.000 1.159 94 T CB -0.345 68.626 68.868 0.171 0.000 0.863 94 T HN 0.572 nan 8.240 nan 0.000 0.434 95 E N 1.098 121.463 120.200 0.275 0.000 2.435 95 E HA 0.017 4.367 4.350 0.001 0.000 0.195 95 E C 2.365 179.044 176.600 0.130 0.000 1.029 95 E CA 0.473 57.035 56.400 0.269 0.000 0.865 95 E CB -0.398 29.395 29.700 0.155 0.000 0.833 95 E HN 0.574 nan 8.360 nan 0.000 0.510 96 S N 0.169 115.858 115.700 -0.017 0.000 2.465 96 S HA -0.123 4.348 4.470 0.001 0.000 0.241 96 S C 1.255 175.668 174.600 -0.312 0.000 1.000 96 S CA 0.673 58.726 58.200 -0.246 0.000 0.964 96 S CB -0.339 62.593 63.200 -0.445 0.000 0.763 96 S HN 0.183 nan 8.310 nan 0.000 0.512 97 F N 0.662 120.711 119.950 0.165 0.000 2.653 97 F HA 0.573 5.100 4.527 0.001 0.000 0.304 97 F C 1.957 177.896 175.800 0.231 0.000 1.092 97 F CA -0.113 57.997 58.000 0.184 0.000 1.279 97 F CB -0.142 38.970 39.000 0.187 0.000 1.044 97 F HN 0.237 nan 8.300 nan 0.000 0.564 98 A N -0.094 122.902 122.820 0.294 0.000 2.263 98 A HA -0.027 4.293 4.320 0.001 0.000 0.205 98 A C 1.960 179.539 177.584 -0.009 0.000 1.226 98 A CA 1.214 53.248 52.037 -0.006 0.000 0.810 98 A CB -0.876 18.004 19.000 -0.199 0.000 0.784 98 A HN 0.331 nan 8.150 nan 0.000 0.486 99 S N -0.287 115.452 115.700 0.065 0.000 2.357 99 S HA -0.051 4.420 4.470 0.001 0.000 0.221 99 S C 0.677 175.306 174.600 0.048 0.000 1.031 99 S CA 0.566 58.791 58.200 0.041 0.000 0.982 99 S CB -0.137 63.093 63.200 0.050 0.000 0.853 99 S HN 0.556 nan 8.310 nan 0.000 0.458 100 D N 2.427 122.883 120.400 0.094 0.000 2.467 100 D HA 0.330 4.971 4.640 0.001 0.000 0.220 100 D C -1.915 174.452 176.300 0.111 0.000 1.103 100 D CA -2.530 51.524 54.000 0.090 0.000 0.886 100 D CB 1.408 42.270 40.800 0.104 0.000 1.025 100 D HN -0.018 nan 8.370 nan 0.000 0.514 101 P HA -0.151 nan 4.420 nan 0.000 0.219 101 P C 1.581 178.958 177.300 0.128 0.000 1.144 101 P CA 0.894 64.032 63.100 0.064 0.000 0.806 101 P CB 0.579 32.292 31.700 0.022 0.000 0.771 102 I N -1.338 119.293 120.570 0.101 0.000 2.188 102 I HA -0.158 4.012 4.170 0.001 0.000 0.237 102 I C 1.434 177.618 176.117 0.111 0.000 1.073 102 I CA 1.051 62.401 61.300 0.083 0.000 1.359 102 I CB -0.653 37.369 38.000 0.037 0.000 1.083 102 I HN -0.202 nan 8.210 nan 0.000 0.412 103 L N 0.766 122.054 121.223 0.110 0.000 2.777 103 L HA 0.015 4.355 4.340 0.001 0.000 0.244 103 L C -0.374 176.587 176.870 0.152 0.000 1.235 103 L CA 0.438 55.336 54.840 0.097 0.000 1.062 103 L CB -1.225 40.874 42.059 0.067 0.000 1.340 103 L HN 0.174 nan 8.230 nan 0.000 0.439 104 Y N 0.362 120.702 120.300 0.066 0.000 2.335 104 Y HA 0.588 5.138 4.550 0.001 0.000 0.338 104 Y C -0.039 175.895 175.900 0.056 0.000 0.977 104 Y CA -1.010 57.140 58.100 0.083 0.000 1.114 104 Y CB 0.734 39.266 38.460 0.120 0.000 1.182 104 Y HN 0.027 nan 8.280 nan 0.000 0.463 105 R N 7.701 127.870 120.500 -0.552 0.000 2.360 105 R HA 0.398 4.738 4.340 0.001 0.000 0.318 105 R C -2.715 173.188 176.300 -0.660 0.000 0.950 105 R CA -2.001 53.807 56.100 -0.486 0.000 0.837 105 R CB 1.400 31.520 30.300 -0.299 0.000 1.165 105 R HN 0.514 nan 8.270 nan 0.000 0.458 106 P HA 0.054 nan 4.420 nan 0.000 0.269 106 P C -0.818 176.472 177.300 -0.016 0.000 1.209 106 P CA -0.186 62.785 63.100 -0.215 0.000 0.776 106 P CB 0.836 32.532 31.700 -0.007 0.000 0.876 107 V N 1.748 121.663 119.914 0.002 0.000 2.638 107 V HA 0.644 4.764 4.120 0.001 0.000 0.306 107 V C 0.235 176.362 176.094 0.055 0.000 1.052 107 V CA -0.802 61.490 62.300 -0.014 0.000 0.885 107 V CB 1.735 33.535 31.823 -0.038 0.000 0.999 107 V HN 0.712 nan 8.190 nan 0.000 0.424 108 A N 4.067 126.920 122.820 0.056 0.000 2.256 108 A HA 0.925 5.245 4.320 0.001 0.000 0.318 108 A C -0.735 176.859 177.584 0.015 0.000 1.103 108 A CA -0.585 51.493 52.037 0.069 0.000 0.860 108 A CB 1.496 20.566 19.000 0.116 0.000 1.182 108 A HN 0.723 nan 8.150 nan 0.000 0.501 109 V N 0.152 120.064 119.914 -0.005 0.000 2.531 109 V HA 0.679 4.800 4.120 0.001 0.000 0.301 109 V C 0.140 176.155 176.094 -0.132 0.000 1.034 109 V CA -0.109 62.160 62.300 -0.052 0.000 0.865 109 V CB 1.339 33.141 31.823 -0.035 0.000 0.995 109 V HN 1.306 nan 8.190 nan 0.000 0.424 110 A N 4.539 127.219 122.820 -0.234 0.000 2.374 110 A HA 0.917 5.238 4.320 0.001 0.000 0.317 110 A C -1.157 176.139 177.584 -0.480 0.000 1.094 110 A CA -0.615 51.134 52.037 -0.479 0.000 0.765 110 A CB 1.614 20.054 19.000 -0.933 0.000 1.268 110 A HN 0.910 nan 8.150 nan 0.000 0.438 111 L N 2.014 122.915 121.223 -0.538 0.000 2.301 111 L HA 0.369 4.710 4.340 0.001 0.000 0.278 111 L C -0.929 175.683 176.870 -0.429 0.000 1.022 111 L CA -0.468 54.058 54.840 -0.523 0.000 0.854 111 L CB 0.747 42.454 42.059 -0.587 0.000 1.226 111 L HN 0.705 nan 8.230 nan 0.000 0.429 112 D N 3.411 123.645 120.400 -0.277 0.000 2.316 112 D HA 0.143 4.784 4.640 0.001 0.000 0.245 112 D C -0.124 176.197 176.300 0.034 0.000 1.171 112 D CA -0.011 53.957 54.000 -0.053 0.000 0.856 112 D CB 1.287 42.129 40.800 0.070 0.000 1.090 112 D HN 0.441 nan 8.370 nan 0.000 0.476 113 T N 2.870 117.451 114.554 0.044 0.000 2.813 113 T HA 0.041 4.391 4.350 0.001 0.000 0.297 113 T C 1.401 176.181 174.700 0.134 0.000 1.036 113 T CA -0.278 61.872 62.100 0.083 0.000 1.044 113 T CB 1.567 70.475 68.868 0.067 0.000 0.993 113 T HN 0.433 nan 8.240 nan 0.000 0.535 114 K N 0.449 120.935 120.400 0.142 0.000 2.244 114 K HA 0.299 4.620 4.320 0.001 0.000 0.200 114 K C 1.292 177.989 176.600 0.163 0.000 1.052 114 K CA 0.812 57.179 56.287 0.133 0.000 0.980 114 K CB -0.516 32.042 32.500 0.096 0.000 0.838 114 K HN 0.837 nan 8.250 nan 0.000 0.481 115 G N 1.249 110.129 108.800 0.133 0.000 2.581 115 G HA2 -0.254 3.706 3.960 0.001 0.000 0.289 115 G HA3 -0.254 3.706 3.960 0.001 0.000 0.289 115 G C -2.121 172.755 174.900 -0.040 0.000 1.303 115 G CA 0.033 45.194 45.100 0.102 0.000 0.931 115 G HN 0.321 nan 8.290 nan 0.000 0.555 116 P HA 0.193 nan 4.420 nan 0.000 0.238 116 P C 0.173 177.076 177.300 -0.663 0.000 1.649 116 P CA 0.525 63.371 63.100 -0.424 0.000 0.960 116 P CB -0.237 31.189 31.700 -0.456 0.000 1.911 117 E N 0.636 120.613 120.200 -0.372 0.000 2.349 117 E HA 0.387 4.738 4.350 0.001 0.000 0.262 117 E C 0.015 176.484 176.600 -0.218 0.000 1.088 117 E CA -0.604 55.642 56.400 -0.256 0.000 0.899 117 E CB 0.744 30.420 29.700 -0.041 0.000 1.044 117 E HN 0.223 nan 8.360 nan 0.000 0.420 118 I N 2.870 123.345 120.570 -0.159 0.000 2.436 118 I HA 0.446 4.616 4.170 0.001 0.000 0.289 118 I C -0.055 176.037 176.117 -0.042 0.000 1.010 118 I CA -0.697 60.529 61.300 -0.124 0.000 1.098 118 I CB 1.455 39.373 38.000 -0.136 0.000 1.266 118 I HN 0.301 nan 8.210 nan 0.000 0.434 119 R N 2.722 123.200 120.500 -0.037 0.000 2.837 119 R HA 0.597 4.937 4.340 0.001 0.000 0.271 119 R C -0.386 175.920 176.300 0.010 0.000 0.993 119 R CA -0.719 55.396 56.100 0.024 0.000 0.931 119 R CB 2.779 33.126 30.300 0.079 0.000 1.206 119 R HN 0.756 nan 8.270 nan 0.000 0.474 120 T N -1.699 112.908 114.554 0.090 0.000 2.846 120 T HA 0.549 4.900 4.350 0.001 0.000 0.277 120 T C 0.760 175.663 174.700 0.338 0.000 0.976 120 T CA -0.585 61.604 62.100 0.149 0.000 0.937 120 T CB 1.370 70.322 68.868 0.139 0.000 1.128 120 T HN 0.589 nan 8.240 nan 0.000 0.552 121 G N -0.325 108.770 108.800 0.492 0.000 2.568 121 G HA2 0.537 4.498 3.960 0.001 0.000 0.293 121 G HA3 0.537 4.498 3.960 0.001 0.000 0.293 121 G C -0.772 174.260 174.900 0.220 0.000 1.347 121 G CA -0.955 44.423 45.100 0.465 0.000 1.039 121 G HN 0.624 nan 8.290 nan 0.000 0.523 122 L N 0.751 122.046 121.223 0.120 0.000 2.410 122 L HA 0.244 4.585 4.340 0.001 0.000 0.273 122 L C 0.495 177.410 176.870 0.074 0.000 1.152 122 L CA -0.366 54.516 54.840 0.071 0.000 0.855 122 L CB 0.937 43.006 42.059 0.017 0.000 1.129 122 L HN 0.241 nan 8.230 nan 0.000 0.463 123 I N 5.448 126.061 120.570 0.072 0.000 2.363 123 I HA 0.023 4.194 4.170 0.001 0.000 0.292 123 I C 0.864 177.010 176.117 0.048 0.000 1.075 123 I CA -0.175 61.167 61.300 0.070 0.000 1.333 123 I CB -0.052 37.994 38.000 0.077 0.000 1.415 123 I HN 0.634 nan 8.210 nan 0.000 0.502 124 K N 4.729 125.154 120.400 0.042 0.000 3.148 124 K HA -0.234 4.086 4.320 0.001 0.000 0.267 124 K C 1.113 177.718 176.600 0.007 0.000 0.996 124 K CA 0.516 56.817 56.287 0.023 0.000 0.737 124 K CB -1.496 31.021 32.500 0.027 0.000 1.308 124 K HN 1.092 nan 8.250 nan 0.000 0.470 125 G N -0.591 108.207 108.800 -0.003 0.000 2.249 125 G HA2 -0.424 3.537 3.960 0.001 0.000 0.269 125 G HA3 -0.424 3.537 3.960 0.001 0.000 0.269 125 G C 0.195 175.090 174.900 -0.009 0.000 0.979 125 G CA 0.911 46.000 45.100 -0.018 0.000 0.644 125 G HN 0.572 nan 8.290 nan 0.000 0.546 126 S N -0.529 115.173 115.700 0.003 0.000 2.617 126 S HA 0.612 5.082 4.470 0.001 0.000 0.283 126 S C 1.501 176.107 174.600 0.009 0.000 1.189 126 S CA 0.669 58.871 58.200 0.003 0.000 1.036 126 S CB 1.394 64.598 63.200 0.007 0.000 1.014 126 S HN 1.015 nan 8.310 nan 0.000 0.522 127 G N 1.540 110.341 108.800 0.002 0.000 2.744 127 G HA2 0.016 3.977 3.960 0.001 0.000 0.211 127 G HA3 0.016 3.977 3.960 0.001 0.000 0.211 127 G C 1.084 175.987 174.900 0.005 0.000 1.146 127 G CA 0.699 45.801 45.100 0.004 0.000 0.787 127 G HN 0.738 nan 8.290 nan 0.000 0.534 128 T N 1.616 116.171 114.554 0.002 0.000 2.684 128 T HA 0.292 4.643 4.350 0.001 0.000 0.253 128 T C 1.795 176.505 174.700 0.017 0.000 1.057 128 T CA 0.408 62.509 62.100 0.002 0.000 1.162 128 T CB -0.695 68.171 68.868 -0.004 0.000 0.868 128 T HN 0.451 nan 8.240 nan 0.000 0.409 129 A N 2.471 125.307 122.820 0.025 0.000 2.608 129 A HA 0.059 4.379 4.320 0.001 0.000 0.246 129 A C 0.316 177.943 177.584 0.072 0.000 0.998 129 A CA 0.427 52.491 52.037 0.045 0.000 0.796 129 A CB -0.417 18.608 19.000 0.042 0.000 0.895 129 A HN 0.612 nan 8.150 nan 0.000 0.508 130 E N 0.335 120.597 120.200 0.103 0.000 2.243 130 E HA 0.692 5.042 4.350 0.001 0.000 0.260 130 E C -1.132 175.594 176.600 0.210 0.000 0.985 130 E CA -0.857 55.648 56.400 0.176 0.000 0.858 130 E CB 2.131 31.963 29.700 0.220 0.000 1.210 130 E HN 0.454 nan 8.360 nan 0.000 0.411 131 V N 1.291 121.336 119.914 0.218 0.000 2.752 131 V HA 0.075 4.196 4.120 0.001 0.000 0.302 131 V C -1.282 174.770 176.094 -0.070 0.000 1.133 131 V CA -0.535 61.821 62.300 0.093 0.000 0.919 131 V CB 1.949 33.806 31.823 0.056 0.000 1.026 131 V HN 0.632 nan 8.190 nan 0.000 0.429 132 E N 5.983 126.003 120.200 -0.299 0.000 2.029 132 E HA 0.231 4.582 4.350 0.001 0.000 0.276 132 E C -0.612 175.801 176.600 -0.312 0.000 1.163 132 E CA -0.260 55.764 56.400 -0.628 0.000 0.909 132 E CB 0.642 29.807 29.700 -0.892 0.000 1.046 132 E HN 0.499 nan 8.360 nan 0.000 0.406 133 L N 3.848 124.930 121.223 -0.235 0.000 2.397 133 L HA 0.201 4.541 4.340 0.001 0.000 0.271 133 L C 0.445 177.232 176.870 -0.138 0.000 1.148 133 L CA 0.527 55.288 54.840 -0.131 0.000 0.825 133 L CB 0.905 42.918 42.059 -0.076 0.000 1.117 133 L HN 0.404 nan 8.230 nan 0.000 0.456 134 K N 2.554 122.894 120.400 -0.099 0.000 2.267 134 K HA 0.281 4.602 4.320 0.001 0.000 0.246 134 K C -0.409 176.155 176.600 -0.059 0.000 0.954 134 K CA -0.818 55.418 56.287 -0.084 0.000 0.824 134 K CB 2.002 34.457 32.500 -0.076 0.000 1.167 134 K HN 0.385 nan 8.250 nan 0.000 0.431 135 K N 0.657 121.028 120.400 -0.048 0.000 2.436 135 K HA 0.018 4.338 4.320 0.001 0.000 0.275 135 K C 0.562 177.142 176.600 -0.034 0.000 0.999 135 K CA 1.443 57.707 56.287 -0.037 0.000 0.980 135 K CB 0.340 32.823 32.500 -0.027 0.000 0.919 135 K HN 0.826 nan 8.250 nan 0.000 0.484 136 G N 1.693 110.474 108.800 -0.032 0.000 2.189 136 G HA2 -0.339 3.621 3.960 0.001 0.000 0.267 136 G HA3 -0.339 3.621 3.960 0.001 0.000 0.267 136 G C 0.263 175.145 174.900 -0.030 0.000 0.975 136 G CA 0.454 45.537 45.100 -0.028 0.000 0.644 136 G HN 0.904 nan 8.290 nan 0.000 0.537 137 A N -0.662 122.137 122.820 -0.035 0.000 2.310 137 A HA 0.710 5.031 4.320 0.001 0.000 0.260 137 A C 0.656 178.219 177.584 -0.036 0.000 1.112 137 A CA 1.188 53.203 52.037 -0.037 0.000 0.804 137 A CB 0.427 19.402 19.000 -0.043 0.000 1.081 137 A HN 0.725 nan 8.150 nan 0.000 0.499 138 T N 0.307 114.839 114.554 -0.037 0.000 2.823 138 T HA 0.559 4.909 4.350 0.001 0.000 0.279 138 T C -0.922 173.753 174.700 -0.042 0.000 0.998 138 T CA -0.027 62.050 62.100 -0.039 0.000 0.994 138 T CB 0.630 69.472 68.868 -0.044 0.000 0.960 138 T HN 0.561 nan 8.240 nan 0.000 0.448 139 L N 3.372 124.572 121.223 -0.039 0.000 2.438 139 L HA 0.587 4.927 4.340 0.001 0.000 0.270 139 L C -0.692 176.156 176.870 -0.036 0.000 0.972 139 L CA -0.694 54.124 54.840 -0.036 0.000 0.831 139 L CB 1.559 43.603 42.059 -0.026 0.000 1.273 139 L HN 0.431 nan 8.230 nan 0.000 0.405 140 K N 5.534 125.901 120.400 -0.055 0.000 2.183 140 K HA 0.550 4.870 4.320 0.001 0.000 0.274 140 K C -1.253 175.330 176.600 -0.028 0.000 1.009 140 K CA -0.500 55.747 56.287 -0.065 0.000 0.888 140 K CB 1.059 33.462 32.500 -0.162 0.000 1.078 140 K HN 0.653 nan 8.250 nan 0.000 0.459 141 I N 3.168 123.752 120.570 0.023 0.000 2.354 141 I HA 0.163 4.334 4.170 0.001 0.000 0.292 141 I C 0.262 176.420 176.117 0.068 0.000 0.989 141 I CA -0.276 61.045 61.300 0.035 0.000 1.188 141 I CB 2.004 40.018 38.000 0.024 0.000 1.342 141 I HN 0.664 nan 8.210 nan 0.000 0.457 142 T N 5.303 119.895 114.554 0.062 0.000 2.910 142 T HA 0.616 4.966 4.350 0.001 0.000 0.287 142 T C 0.343 175.118 174.700 0.125 0.000 1.050 142 T CA -0.440 61.722 62.100 0.103 0.000 1.011 142 T CB 1.246 70.127 68.868 0.021 0.000 1.195 142 T HN 0.485 nan 8.240 nan 0.000 0.540 143 L N 0.530 121.857 121.223 0.172 0.000 2.966 143 L HA 0.386 4.727 4.340 0.001 0.000 0.262 143 L C 0.440 177.567 176.870 0.429 0.000 1.165 143 L CA -0.202 54.750 54.840 0.187 0.000 0.978 143 L CB 0.597 42.682 42.059 0.044 0.000 1.337 143 L HN 0.541 nan 8.230 nan 0.000 0.563 144 D N 1.448 122.095 120.400 0.411 0.000 2.363 144 D HA -0.019 4.621 4.640 0.001 0.000 0.263 144 D C 0.710 177.228 176.300 0.364 0.000 1.258 144 D CA 0.278 54.503 54.000 0.376 0.000 0.907 144 D CB 0.633 41.668 40.800 0.393 0.000 1.107 144 D HN 0.262 nan 8.370 nan 0.000 0.495 145 N N 2.753 121.563 118.700 0.183 0.000 2.585 145 N HA -0.155 4.585 4.740 0.001 0.000 0.188 145 N C 1.471 176.841 175.510 -0.234 0.000 1.102 145 N CA 0.281 53.261 53.050 -0.118 0.000 0.920 145 N CB 0.249 38.693 38.487 -0.072 0.000 0.963 145 N HN 0.391 nan 8.380 nan 0.000 0.447 146 A N 1.017 123.756 122.820 -0.135 0.000 1.933 146 A HA -0.162 4.159 4.320 0.001 0.000 0.218 146 A C 1.470 178.734 177.584 -0.534 0.000 1.175 146 A CA 1.102 52.937 52.037 -0.337 0.000 0.628 146 A CB -0.721 18.030 19.000 -0.415 0.000 0.814 146 A HN 0.312 nan 8.150 nan 0.000 0.444 147 Y N -1.028 119.186 120.300 -0.143 0.000 2.509 147 Y HA -0.035 4.516 4.550 0.001 0.000 0.293 147 Y C 2.270 178.002 175.900 -0.280 0.000 1.133 147 Y CA 0.838 58.868 58.100 -0.117 0.000 1.283 147 Y CB -0.582 37.909 38.460 0.051 0.000 1.001 147 Y HN 0.376 nan 8.280 nan 0.000 0.555 148 M N 0.530 119.738 119.600 -0.655 0.000 2.252 148 M HA -0.330 4.151 4.480 0.001 0.000 0.255 148 M C 0.636 176.673 176.300 -0.439 0.000 1.085 148 M CA 2.139 56.783 55.300 -1.093 0.000 1.059 148 M CB 0.027 31.912 32.600 -1.191 0.000 1.375 148 M HN 0.331 nan 8.290 nan 0.000 0.409 149 E N -1.669 118.374 120.200 -0.261 0.000 2.641 149 E HA 0.072 4.423 4.350 0.001 0.000 0.224 149 E C 0.356 176.920 176.600 -0.060 0.000 0.951 149 E CA -0.060 56.262 56.400 -0.130 0.000 1.102 149 E CB 0.424 30.041 29.700 -0.139 0.000 1.091 149 E HN 0.498 nan 8.360 nan 0.000 0.507 150 K N 0.897 121.271 120.400 -0.043 0.000 2.493 150 K HA 0.230 4.551 4.320 0.001 0.000 0.207 150 K C -0.262 176.416 176.600 0.130 0.000 1.033 150 K CA -0.243 56.059 56.287 0.025 0.000 1.161 150 K CB 0.291 32.778 32.500 -0.021 0.000 0.873 150 K HN -0.005 nan 8.250 nan 0.000 0.491 151 C N 3.391 122.767 119.300 0.127 0.000 2.662 151 C HA 0.022 4.483 4.460 0.001 0.000 0.402 151 C C 0.624 175.681 174.990 0.112 0.000 1.397 151 C CA -0.466 58.646 59.018 0.158 0.000 1.575 151 C CB -1.736 26.108 27.740 0.174 0.000 2.406 151 C HN 0.594 nan 8.230 nan 0.000 0.609 152 D N 1.001 121.464 120.400 0.106 0.000 2.614 152 D HA 0.257 4.898 4.640 0.001 0.000 0.264 152 D C 0.874 177.204 176.300 0.051 0.000 1.092 152 D CA -0.740 53.303 54.000 0.072 0.000 1.071 152 D CB 0.473 41.312 40.800 0.066 0.000 1.443 152 D HN 0.556 nan 8.370 nan 0.000 0.528 153 E N -0.236 119.981 120.200 0.029 0.000 2.501 153 E HA -0.202 4.148 4.350 0.001 0.000 0.203 153 E C -0.055 176.542 176.600 -0.004 0.000 1.072 153 E CA 1.055 57.458 56.400 0.005 0.000 0.885 153 E CB -0.660 29.031 29.700 -0.015 0.000 0.813 153 E HN 0.526 nan 8.360 nan 0.000 0.556 154 N N -0.426 118.276 118.700 0.003 0.000 2.297 154 N HA 0.243 4.984 4.740 0.001 0.000 0.208 154 N C -0.510 174.981 175.510 -0.031 0.000 1.176 154 N CA -0.167 52.872 53.050 -0.019 0.000 0.882 154 N CB 0.927 39.401 38.487 -0.023 0.000 1.134 154 N HN -0.017 nan 8.380 nan 0.000 0.489 155 I N 1.024 121.591 120.570 -0.004 0.000 2.533 155 I HA 0.398 4.569 4.170 0.001 0.000 0.290 155 I C -1.521 174.634 176.117 0.062 0.000 1.056 155 I CA -0.747 60.541 61.300 -0.020 0.000 1.057 155 I CB 2.444 40.376 38.000 -0.113 0.000 1.240 155 I HN -0.127 nan 8.210 nan 0.000 0.423 156 L N 5.971 127.236 121.223 0.071 0.000 2.408 156 L HA 0.636 4.976 4.340 0.001 0.000 0.268 156 L C -1.954 175.039 176.870 0.206 0.000 0.986 156 L CA -0.255 54.667 54.840 0.137 0.000 0.820 156 L CB 1.886 43.995 42.059 0.083 0.000 1.303 156 L HN 0.709 nan 8.230 nan 0.000 0.411 157 W N 6.159 127.501 121.300 0.071 0.000 2.587 157 W HA 0.699 5.359 4.660 0.001 0.000 0.324 157 W C -1.876 174.690 176.519 0.078 0.000 1.040 157 W CA -0.594 56.801 57.345 0.084 0.000 1.222 157 W CB 1.403 30.936 29.460 0.122 0.000 1.381 157 W HN 0.403 nan 8.180 nan 0.000 0.483 158 L N 4.965 125.720 121.223 -0.781 0.000 2.319 158 L HA 0.346 4.687 4.340 0.001 0.000 0.267 158 L C 0.607 176.628 176.870 -1.416 0.000 1.011 158 L CA -0.492 53.896 54.840 -0.753 0.000 0.818 158 L CB 1.795 43.622 42.059 -0.387 0.000 1.316 158 L HN 0.567 nan 8.230 nan 0.000 0.432 159 D N -0.515 119.397 120.400 -0.814 0.000 2.395 159 D HA -0.031 4.609 4.640 0.001 0.000 0.226 159 D C -0.339 175.873 176.300 -0.147 0.000 1.146 159 D CA 0.025 53.699 54.000 -0.542 0.000 0.830 159 D CB -0.287 40.419 40.800 -0.157 0.000 0.958 159 D HN 0.228 nan 8.370 nan 0.000 0.501 160 Y N 2.068 122.176 120.300 -0.320 0.000 2.717 160 Y HA 0.287 4.837 4.550 0.001 0.000 0.329 160 Y C 1.184 176.992 175.900 -0.152 0.000 1.017 160 Y CA -1.732 56.255 58.100 -0.187 0.000 1.275 160 Y CB 0.658 39.020 38.460 -0.162 0.000 1.109 160 Y HN -0.255 nan 8.280 nan 0.000 0.511 161 K N 2.881 123.249 120.400 -0.053 0.000 2.015 161 K HA -0.202 4.119 4.320 0.001 0.000 0.216 161 K C 0.420 176.780 176.600 -0.401 0.000 1.052 161 K CA 1.775 57.961 56.287 -0.168 0.000 0.937 161 K CB 0.087 32.566 32.500 -0.035 0.000 0.719 161 K HN 0.729 nan 8.250 nan 0.000 0.446 162 N N 1.550 119.883 118.700 -0.611 0.000 2.441 162 N HA -0.029 4.711 4.740 0.001 0.000 0.225 162 N C 1.288 176.218 175.510 -0.967 0.000 1.208 162 N CA -0.017 52.667 53.050 -0.610 0.000 0.847 162 N CB 0.081 38.395 38.487 -0.289 0.000 1.121 162 N HN 0.292 nan 8.380 nan 0.000 0.479 163 I N -0.383 119.511 120.570 -1.126 0.000 2.493 163 I HA -0.228 3.943 4.170 0.001 0.000 0.254 163 I C 1.911 177.830 176.117 -0.329 0.000 1.160 163 I CA 0.920 61.773 61.300 -0.746 0.000 1.445 163 I CB 0.075 37.843 38.000 -0.387 0.000 1.086 163 I HN 0.202 nan 8.210 nan 0.000 0.433 164 C N 1.566 120.685 119.300 -0.301 0.000 2.435 164 C HA -0.096 4.364 4.460 0.001 0.000 0.279 164 C C 2.475 177.368 174.990 -0.162 0.000 1.321 164 C CA 1.043 59.941 59.018 -0.202 0.000 1.752 164 C CB -0.932 26.689 27.740 -0.200 0.000 1.959 164 C HN 0.498 nan 8.230 nan 0.000 0.500 165 K N -0.462 119.835 120.400 -0.172 0.000 2.400 165 K HA 0.086 4.407 4.320 0.001 0.000 0.194 165 K C 1.578 178.130 176.600 -0.079 0.000 1.033 165 K CA 0.509 56.727 56.287 -0.116 0.000 1.021 165 K CB -0.063 32.373 32.500 -0.108 0.000 0.808 165 K HN 0.379 nan 8.250 nan 0.000 0.505 166 V N 1.160 121.028 119.914 -0.076 0.000 3.263 166 V HA 0.059 4.180 4.120 0.001 0.000 0.248 166 V C 0.409 176.499 176.094 -0.007 0.000 1.145 166 V CA 0.071 62.362 62.300 -0.015 0.000 1.107 166 V CB 0.692 32.547 31.823 0.053 0.000 0.797 166 V HN -0.044 nan 8.190 nan 0.000 0.467 167 V N 2.127 122.025 119.914 -0.026 0.000 2.716 167 V HA 0.520 4.641 4.120 0.001 0.000 0.304 167 V C -0.610 175.466 176.094 -0.030 0.000 1.053 167 V CA -0.721 61.570 62.300 -0.015 0.000 0.984 167 V CB 1.535 33.351 31.823 -0.012 0.000 1.021 167 V HN 0.423 nan 8.190 nan 0.000 0.467 168 D N 0.598 120.987 120.400 -0.018 0.000 2.531 168 D HA 0.472 5.113 4.640 0.001 0.000 0.244 168 D C -0.504 175.788 176.300 -0.014 0.000 1.090 168 D CA -0.520 53.467 54.000 -0.022 0.000 0.989 168 D CB 2.012 42.802 40.800 -0.018 0.000 1.433 168 D HN 0.229 nan 8.370 nan 0.000 0.492 169 V N 0.467 120.372 119.914 -0.015 0.000 3.032 169 V HA 0.291 4.412 4.120 0.001 0.000 0.307 169 V C 1.757 177.850 176.094 -0.001 0.000 1.097 169 V CA 1.761 64.057 62.300 -0.007 0.000 1.191 169 V CB 0.536 32.355 31.823 -0.007 0.000 0.964 169 V HN 0.992 nan 8.190 nan 0.000 0.494 170 G N 3.177 111.977 108.800 0.001 0.000 2.304 170 G HA2 -0.306 3.654 3.960 0.001 0.000 0.252 170 G HA3 -0.306 3.654 3.960 0.001 0.000 0.252 170 G C 0.705 175.610 174.900 0.008 0.000 1.014 170 G CA 0.455 45.557 45.100 0.004 0.000 0.619 170 G HN 0.901 nan 8.290 nan 0.000 0.525 171 S N 0.792 116.499 115.700 0.012 0.000 2.563 171 S HA 0.427 4.897 4.470 0.001 0.000 0.269 171 S C 0.631 175.244 174.600 0.022 0.000 1.364 171 S CA 0.705 58.919 58.200 0.024 0.000 1.010 171 S CB 0.318 63.532 63.200 0.023 0.000 0.877 171 S HN 0.538 nan 8.310 nan 0.000 0.549 172 K N 0.929 121.359 120.400 0.051 0.000 2.267 172 K HA 0.688 5.009 4.320 0.001 0.000 0.246 172 K C -1.465 175.167 176.600 0.053 0.000 0.954 172 K CA -0.857 55.443 56.287 0.020 0.000 0.824 172 K CB 1.870 34.386 32.500 0.027 0.000 1.167 172 K HN 0.295 nan 8.250 nan 0.000 0.431 173 V N 2.506 122.377 119.914 -0.071 0.000 2.638 173 V HA 0.324 4.445 4.120 0.001 0.000 0.306 173 V C -1.612 174.406 176.094 -0.126 0.000 1.052 173 V CA -0.887 61.415 62.300 0.004 0.000 0.885 173 V CB 1.220 33.044 31.823 0.001 0.000 0.999 173 V HN 0.603 nan 8.190 nan 0.000 0.424 174 Y N 3.207 123.526 120.300 0.032 0.000 2.328 174 Y HA 0.673 5.223 4.550 0.001 0.000 0.336 174 Y C 0.040 175.964 175.900 0.040 0.000 0.960 174 Y CA -0.751 57.371 58.100 0.037 0.000 1.134 174 Y CB 2.019 40.504 38.460 0.041 0.000 1.166 174 Y HN 0.375 nan 8.280 nan 0.000 0.464 175 V N 2.511 122.510 119.914 0.141 0.000 2.667 175 V HA 0.304 4.424 4.120 0.001 0.000 0.308 175 V C -0.284 175.886 176.094 0.127 0.000 1.048 175 V CA -1.081 61.288 62.300 0.115 0.000 0.928 175 V CB 1.673 33.540 31.823 0.073 0.000 1.004 175 V HN 0.811 nan 8.190 nan 0.000 0.444 176 D N 2.770 123.241 120.400 0.118 0.000 2.812 176 D HA -0.182 4.459 4.640 0.001 0.000 0.237 176 D C 0.156 176.527 176.300 0.118 0.000 1.162 176 D CA 1.099 55.167 54.000 0.113 0.000 0.740 176 D CB -1.140 39.723 40.800 0.106 0.000 1.000 176 D HN 0.896 nan 8.370 nan 0.000 0.416 177 D N -0.127 120.344 120.400 0.118 0.000 2.723 177 D HA -0.123 4.517 4.640 0.001 0.000 0.236 177 D C 1.261 177.633 176.300 0.119 0.000 1.138 177 D CA 2.499 56.562 54.000 0.104 0.000 0.676 177 D CB -1.256 39.595 40.800 0.086 0.000 1.069 177 D HN 0.968 nan 8.370 nan 0.000 0.430 178 G N -1.455 107.452 108.800 0.179 0.000 2.186 178 G HA2 -0.400 3.561 3.960 0.001 0.000 0.266 178 G HA3 -0.400 3.561 3.960 0.001 0.000 0.266 178 G C 1.219 176.290 174.900 0.286 0.000 0.982 178 G CA 0.781 46.066 45.100 0.307 0.000 0.670 178 G HN 0.535 nan 8.290 nan 0.000 0.533 179 L N -0.079 121.250 121.223 0.177 0.000 2.044 179 L HA 0.200 4.540 4.340 0.001 0.000 0.205 179 L C 1.734 178.665 176.870 0.101 0.000 1.075 179 L CA 0.912 55.830 54.840 0.131 0.000 0.747 179 L CB -0.147 41.977 42.059 0.107 0.000 0.903 179 L HN 0.252 nan 8.230 nan 0.000 0.435 180 I N -0.216 120.405 120.570 0.085 0.000 2.371 180 I HA 0.073 4.244 4.170 0.001 0.000 0.290 180 I C 0.172 176.250 176.117 -0.066 0.000 1.028 180 I CA 0.277 61.590 61.300 0.022 0.000 1.345 180 I CB 1.158 39.175 38.000 0.028 0.000 1.407 180 I HN 0.002 nan 8.210 nan 0.000 0.501 181 S N 8.059 123.671 115.700 -0.148 0.000 2.498 181 S HA 0.744 5.215 4.470 0.001 0.000 0.317 181 S C -0.783 173.677 174.600 -0.233 0.000 1.090 181 S CA -0.614 57.378 58.200 -0.347 0.000 1.089 181 S CB 0.620 63.618 63.200 -0.337 0.000 0.997 181 S HN 0.466 nan 8.310 nan 0.000 0.470 182 L N 3.896 124.969 121.223 -0.250 0.000 2.381 182 L HA 0.608 4.948 4.340 0.001 0.000 0.268 182 L C -0.247 176.546 176.870 -0.129 0.000 0.997 182 L CA -0.782 53.973 54.840 -0.141 0.000 0.818 182 L CB 2.069 44.077 42.059 -0.085 0.000 1.310 182 L HN 0.543 nan 8.230 nan 0.000 0.416 183 Q N 1.536 121.288 119.800 -0.080 0.000 2.322 183 Q HA 0.393 4.734 4.340 0.001 0.000 0.265 183 Q C -1.131 174.853 176.000 -0.025 0.000 0.985 183 Q CA -0.736 55.036 55.803 -0.051 0.000 0.849 183 Q CB 2.486 31.199 28.738 -0.041 0.000 1.274 183 Q HN 0.516 nan 8.270 nan 0.000 0.449 184 V N 6.004 125.910 119.914 -0.013 0.000 2.377 184 V HA 0.004 4.124 4.120 0.001 0.000 0.254 184 V C 1.121 177.218 176.094 0.005 0.000 1.060 184 V CA 0.310 62.611 62.300 0.001 0.000 1.068 184 V CB 0.199 32.023 31.823 0.001 0.000 1.113 184 V HN 0.684 nan 8.190 nan 0.000 0.484 185 K N 2.763 123.169 120.400 0.011 0.000 2.314 185 K HA 0.163 4.484 4.320 0.001 0.000 0.198 185 K C 0.599 177.215 176.600 0.027 0.000 1.045 185 K CA 0.502 56.796 56.287 0.013 0.000 0.988 185 K CB 0.497 33.002 32.500 0.007 0.000 0.783 185 K HN 0.655 nan 8.250 nan 0.000 0.484 186 Q N -0.240 119.589 119.800 0.049 0.000 2.353 186 Q HA 0.268 4.608 4.340 0.001 0.000 0.275 186 Q C -1.764 174.282 176.000 0.077 0.000 1.029 186 Q CA -0.449 55.399 55.803 0.076 0.000 0.848 186 Q CB 2.696 31.514 28.738 0.134 0.000 1.390 186 Q HN -0.171 nan 8.270 nan 0.000 0.401 187 K N 0.701 121.105 120.400 0.006 0.000 2.221 187 K HA 0.794 5.114 4.320 0.001 0.000 0.258 187 K C -0.523 175.898 176.600 -0.298 0.000 0.944 187 K CA -0.379 55.840 56.287 -0.114 0.000 0.823 187 K CB 1.408 33.846 32.500 -0.104 0.000 1.113 187 K HN 0.711 nan 8.250 nan 0.000 0.431 188 G N 2.001 110.373 108.800 -0.713 0.000 3.122 188 G HA2 0.420 4.381 3.960 0.001 0.000 0.180 188 G HA3 0.420 4.381 3.960 0.001 0.000 0.180 188 G C -2.195 172.309 174.900 -0.660 0.000 1.279 188 G CA -0.691 43.679 45.100 -1.217 0.000 0.987 188 G HN 0.527 nan 8.290 nan 0.000 0.589 189 P HA 0.209 nan 4.420 nan 0.000 0.280 189 P C 0.123 177.298 177.300 -0.208 0.000 1.204 189 P CA 0.533 63.463 63.100 -0.283 0.000 0.908 189 P CB 1.141 32.738 31.700 -0.171 0.000 1.326 190 D N -0.837 119.435 120.400 -0.213 0.000 2.486 190 D HA 0.042 4.683 4.640 0.001 0.000 0.243 190 D C 0.308 176.613 176.300 0.008 0.000 1.146 190 D CA -0.060 53.906 54.000 -0.057 0.000 0.821 190 D CB 0.199 41.027 40.800 0.048 0.000 1.201 190 D HN 0.149 nan 8.370 nan 0.000 0.525 191 F N 0.011 119.934 119.950 -0.044 0.000 2.764 191 F HA 0.778 5.306 4.527 0.001 0.000 0.347 191 F C -1.783 173.984 175.800 -0.055 0.000 1.151 191 F CA -1.549 56.419 58.000 -0.054 0.000 1.021 191 F CB 1.161 40.126 39.000 -0.059 0.000 1.438 191 F HN -0.236 nan 8.300 nan 0.000 0.516 192 L N 2.003 123.470 121.223 0.406 0.000 2.543 192 L HA 0.496 4.837 4.340 0.001 0.000 0.265 192 L C -1.266 175.774 176.870 0.283 0.000 0.945 192 L CA -0.784 54.202 54.840 0.243 0.000 0.869 192 L CB 1.926 44.024 42.059 0.066 0.000 1.294 192 L HN 0.634 nan 8.230 nan 0.000 0.405 193 V N 2.855 122.926 119.914 0.262 0.000 2.385 193 V HA 0.649 4.769 4.120 0.001 0.000 0.269 193 V C 0.611 176.737 176.094 0.052 0.000 1.043 193 V CA -0.326 62.043 62.300 0.115 0.000 0.906 193 V CB 1.221 33.095 31.823 0.084 0.000 0.995 193 V HN 0.891 nan 8.190 nan 0.000 0.467 194 T N 1.523 116.087 114.554 0.018 0.000 2.930 194 T HA 0.672 5.022 4.350 0.001 0.000 0.290 194 T C -0.747 173.943 174.700 -0.017 0.000 1.052 194 T CA -0.766 61.333 62.100 -0.002 0.000 1.017 194 T CB 2.386 71.248 68.868 -0.010 0.000 1.137 194 T HN 0.703 nan 8.240 nan 0.000 0.511 195 E N 1.132 121.317 120.200 -0.025 0.000 2.199 195 E HA 0.487 4.837 4.350 0.001 0.000 0.269 195 E C -1.025 175.550 176.600 -0.042 0.000 0.899 195 E CA -0.996 55.386 56.400 -0.031 0.000 0.772 195 E CB 1.918 31.603 29.700 -0.025 0.000 1.155 195 E HN 0.537 nan 8.360 nan 0.000 0.408 196 V N 5.572 125.460 119.914 -0.043 0.000 2.341 196 V HA -0.039 4.081 4.120 0.001 0.000 0.248 196 V C 1.404 177.468 176.094 -0.051 0.000 1.107 196 V CA 0.564 62.833 62.300 -0.051 0.000 1.069 196 V CB 0.410 32.203 31.823 -0.049 0.000 1.177 196 V HN 0.813 nan 8.190 nan 0.000 0.492 197 E N 4.032 124.194 120.200 -0.063 0.000 2.152 197 E HA -0.096 4.255 4.350 0.001 0.000 0.192 197 E C 0.546 177.116 176.600 -0.050 0.000 0.983 197 E CA 0.584 56.950 56.400 -0.057 0.000 0.818 197 E CB 0.315 29.972 29.700 -0.071 0.000 0.758 197 E HN 0.641 nan 8.360 nan 0.000 0.467 198 N N -0.376 118.288 118.700 -0.059 0.000 2.549 198 N HA 0.252 4.993 4.740 0.001 0.000 0.290 198 N C -1.007 174.482 175.510 -0.034 0.000 1.122 198 N CA -0.090 52.938 53.050 -0.037 0.000 0.885 198 N CB 1.758 40.227 38.487 -0.029 0.000 1.455 198 N HN 0.114 nan 8.380 nan 0.000 0.521 199 G N 0.007 108.789 108.800 -0.029 0.000 2.552 199 G HA2 0.819 4.780 3.960 0.001 0.000 0.318 199 G HA3 0.819 4.780 3.960 0.001 0.000 0.318 199 G C -0.035 174.854 174.900 -0.017 0.000 1.240 199 G CA -0.122 44.956 45.100 -0.037 0.000 1.002 199 G HN 0.635 nan 8.290 nan 0.000 0.493 200 G N -1.846 106.932 108.800 -0.036 0.000 2.348 200 G HA2 0.413 4.373 3.960 0.001 0.000 0.296 200 G HA3 0.413 4.373 3.960 0.001 0.000 0.296 200 G C -1.781 173.095 174.900 -0.039 0.000 1.258 200 G CA -0.910 44.199 45.100 0.016 0.000 0.868 200 G HN 0.437 nan 8.290 nan 0.000 0.488 201 F N 1.102 121.066 119.950 0.024 0.000 2.405 201 F HA 0.508 5.035 4.527 0.001 0.000 0.355 201 F C 0.754 176.572 175.800 0.030 0.000 1.121 201 F CA -0.549 57.466 58.000 0.024 0.000 1.112 201 F CB 1.708 40.722 39.000 0.024 0.000 1.126 201 F HN 0.142 nan 8.300 nan 0.000 0.481 202 L N 4.767 126.092 121.223 0.169 0.000 2.342 202 L HA 0.355 4.696 4.340 0.001 0.000 0.285 202 L C 0.728 177.683 176.870 0.142 0.000 1.095 202 L CA 0.012 54.928 54.840 0.127 0.000 0.843 202 L CB -0.109 41.995 42.059 0.075 0.000 1.201 202 L HN 0.785 nan 8.230 nan 0.000 0.445 203 G N 3.153 112.031 108.800 0.130 0.000 2.504 203 G HA2 0.258 4.219 3.960 0.001 0.000 0.257 203 G HA3 0.258 4.219 3.960 0.001 0.000 0.257 203 G C -0.552 174.405 174.900 0.095 0.000 1.451 203 G CA -0.364 44.800 45.100 0.106 0.000 1.059 203 G HN 0.556 nan 8.290 nan 0.000 0.550 204 S N -0.829 114.919 115.700 0.081 0.000 2.501 204 S HA 0.485 4.956 4.470 0.001 0.000 0.301 204 S C -0.337 174.319 174.600 0.093 0.000 1.096 204 S CA -0.517 57.734 58.200 0.087 0.000 1.063 204 S CB 1.426 64.667 63.200 0.068 0.000 1.042 204 S HN 0.543 nan 8.310 nan 0.000 0.494 205 K N 1.232 121.703 120.400 0.119 0.000 3.393 205 K HA -0.141 4.179 4.320 0.001 0.000 0.272 205 K C -0.781 175.895 176.600 0.126 0.000 1.004 205 K CA 0.678 57.044 56.287 0.132 0.000 0.764 205 K CB -0.920 31.653 32.500 0.121 0.000 1.373 205 K HN 0.374 nan 8.250 nan 0.000 0.458 206 K N 0.035 120.506 120.400 0.119 0.000 2.208 206 K HA 0.375 4.695 4.320 0.001 0.000 0.247 206 K C 0.612 177.273 176.600 0.102 0.000 0.953 206 K CA -0.487 55.868 56.287 0.112 0.000 0.837 206 K CB 1.647 34.210 32.500 0.105 0.000 1.131 206 K HN 0.259 nan 8.250 nan 0.000 0.431 207 G N 0.816 109.680 108.800 0.106 0.000 2.343 207 G HA2 0.268 4.229 3.960 0.001 0.000 0.254 207 G HA3 0.268 4.229 3.960 0.001 0.000 0.254 207 G C -0.308 174.648 174.900 0.094 0.000 1.277 207 G CA -0.328 44.830 45.100 0.097 0.000 0.909 207 G HN 0.211 nan 8.290 nan 0.000 0.502 208 V N 4.482 124.437 119.914 0.069 0.000 2.435 208 V HA 0.352 4.473 4.120 0.001 0.000 0.290 208 V C -0.255 175.879 176.094 0.067 0.000 1.030 208 V CA -1.042 61.300 62.300 0.070 0.000 0.881 208 V CB 1.514 33.359 31.823 0.037 0.000 0.983 208 V HN 0.719 nan 8.190 nan 0.000 0.445 209 N N 4.592 123.362 118.700 0.116 0.000 2.284 209 N HA 0.562 5.303 4.740 0.001 0.000 0.300 209 N C -1.024 174.566 175.510 0.133 0.000 1.047 209 N CA -0.463 52.648 53.050 0.102 0.000 0.821 209 N CB 2.804 41.346 38.487 0.092 0.000 1.337 209 N HN 0.490 nan 8.380 nan 0.000 0.482 210 L N 2.794 124.069 121.223 0.086 0.000 2.679 210 L HA 0.325 4.665 4.340 0.001 0.000 0.238 210 L C -2.243 174.678 176.870 0.085 0.000 1.330 210 L CA -1.601 53.303 54.840 0.106 0.000 0.935 210 L CB 0.829 42.942 42.059 0.090 0.000 1.243 210 L HN 0.170 nan 8.230 nan 0.000 0.484 211 P HA 0.036 nan 4.420 nan 0.000 0.261 211 P C 0.950 178.285 177.300 0.058 0.000 1.183 211 P CA 0.848 63.976 63.100 0.047 0.000 0.761 211 P CB 0.702 32.401 31.700 0.000 0.000 0.785 212 G N 1.488 110.306 108.800 0.029 0.000 2.171 212 G HA2 0.069 4.029 3.960 0.001 0.000 0.238 212 G HA3 0.069 4.029 3.960 0.001 0.000 0.238 212 G C 0.040 174.947 174.900 0.011 0.000 1.039 212 G CA -0.104 45.002 45.100 0.009 0.000 0.759 212 G HN 0.884 nan 8.290 nan 0.000 0.501 213 A N -0.983 121.847 122.820 0.017 0.000 2.498 213 A HA 1.030 5.350 4.320 0.001 0.000 0.298 213 A C 0.085 177.680 177.584 0.017 0.000 1.075 213 A CA 0.220 52.272 52.037 0.024 0.000 0.714 213 A CB 1.593 20.623 19.000 0.050 0.000 1.299 213 A HN 2.043 nan 8.150 nan 0.000 0.407 214 A N 1.500 124.334 122.820 0.023 0.000 2.621 214 A HA 0.549 4.870 4.320 0.001 0.000 0.329 214 A C -0.284 177.325 177.584 0.042 0.000 1.458 214 A CA -0.293 51.755 52.037 0.019 0.000 1.052 214 A CB -0.576 18.431 19.000 0.012 0.000 1.142 214 A HN 1.061 nan 8.150 nan 0.000 0.523 215 V N 3.418 123.337 119.914 0.008 0.000 2.439 215 V HA 0.053 4.174 4.120 0.001 0.000 0.271 215 V C 0.711 176.790 176.094 -0.025 0.000 1.040 215 V CA 0.186 62.470 62.300 -0.027 0.000 1.002 215 V CB 0.707 32.404 31.823 -0.209 0.000 1.000 215 V HN 0.945 nan 8.190 nan 0.000 0.477 216 D N 3.539 123.978 120.400 0.065 0.000 2.323 216 D HA 0.038 4.679 4.640 0.001 0.000 0.239 216 D C 0.183 176.489 176.300 0.010 0.000 1.129 216 D CA -0.299 53.729 54.000 0.046 0.000 0.865 216 D CB -0.040 40.801 40.800 0.068 0.000 0.913 216 D HN 0.273 nan 8.370 nan 0.000 0.517 217 L N 1.967 123.140 121.223 -0.083 0.000 2.416 217 L HA 0.302 4.642 4.340 0.001 0.000 0.272 217 L C -1.822 174.999 176.870 -0.082 0.000 1.161 217 L CA -1.744 53.026 54.840 -0.118 0.000 0.845 217 L CB 0.037 41.934 42.059 -0.269 0.000 1.119 217 L HN -0.012 nan 8.230 nan 0.000 0.464 218 P HA 0.183 nan 4.420 nan 0.000 0.275 218 P C 0.006 177.291 177.300 -0.024 0.000 1.228 218 P CA -0.443 62.644 63.100 -0.022 0.000 0.786 218 P CB 0.939 32.638 31.700 -0.002 0.000 0.927 219 A N 3.220 126.039 122.820 -0.002 0.000 1.851 219 A HA -0.045 4.276 4.320 0.001 0.000 0.216 219 A C 0.934 178.536 177.584 0.029 0.000 1.195 219 A CA 1.411 53.461 52.037 0.021 0.000 0.622 219 A CB -1.005 18.012 19.000 0.029 0.000 0.831 219 A HN 0.451 nan 8.150 nan 0.000 0.444 220 V N 1.364 121.295 119.914 0.028 0.000 2.383 220 V HA 0.453 4.573 4.120 0.001 0.000 0.275 220 V C 0.409 176.521 176.094 0.031 0.000 1.036 220 V CA 0.086 62.408 62.300 0.035 0.000 0.889 220 V CB 0.752 32.597 31.823 0.038 0.000 0.985 220 V HN 0.626 nan 8.190 nan 0.000 0.459 221 S N 2.502 118.224 115.700 0.035 0.000 2.704 221 S HA 0.460 4.930 4.470 0.001 0.000 0.305 221 S C 0.870 175.499 174.600 0.048 0.000 1.107 221 S CA -0.530 57.690 58.200 0.033 0.000 0.993 221 S CB 1.829 65.044 63.200 0.024 0.000 1.110 221 S HN 0.668 nan 8.310 nan 0.000 0.534 222 E N 0.837 121.065 120.200 0.046 0.000 2.065 222 E HA -0.246 4.105 4.350 0.001 0.000 0.201 222 E C 1.911 178.553 176.600 0.070 0.000 1.016 222 E CA 1.798 58.229 56.400 0.053 0.000 0.818 222 E CB -0.161 29.567 29.700 0.046 0.000 0.749 222 E HN 0.703 nan 8.360 nan 0.000 0.453 223 K N 0.402 120.846 120.400 0.073 0.000 2.103 223 K HA -0.224 4.096 4.320 0.001 0.000 0.207 223 K C 1.429 178.111 176.600 0.137 0.000 1.048 223 K CA 1.746 58.094 56.287 0.101 0.000 0.930 223 K CB -0.037 32.521 32.500 0.097 0.000 0.716 223 K HN 0.126 nan 8.250 nan 0.000 0.444 224 D N 1.250 121.713 120.400 0.106 0.000 2.104 224 D HA -0.185 4.456 4.640 0.001 0.000 0.194 224 D C 2.026 178.387 176.300 0.102 0.000 0.994 224 D CA 1.389 55.450 54.000 0.102 0.000 0.830 224 D CB -0.225 40.620 40.800 0.074 0.000 0.959 224 D HN 0.305 nan 8.370 nan 0.000 0.452 225 I N 1.166 121.791 120.570 0.092 0.000 2.118 225 I HA -0.342 3.828 4.170 0.001 0.000 0.241 225 I C 2.430 178.624 176.117 0.128 0.000 1.070 225 I CA 1.338 62.692 61.300 0.090 0.000 1.327 225 I CB -0.958 37.087 38.000 0.075 0.000 1.034 225 I HN 0.103 nan 8.210 nan 0.000 0.405 226 Q N 1.227 121.126 119.800 0.165 0.000 1.985 226 Q HA -0.252 4.089 4.340 0.001 0.000 0.207 226 Q C 1.939 178.152 176.000 0.355 0.000 0.996 226 Q CA 2.011 57.967 55.803 0.255 0.000 0.851 226 Q CB -0.477 28.403 28.738 0.237 0.000 0.921 226 Q HN 0.466 nan 8.270 nan 0.000 0.418 227 D N 0.902 121.512 120.400 0.349 0.000 2.157 227 D HA -0.187 4.453 4.640 0.001 0.000 0.191 227 D C 2.011 178.355 176.300 0.073 0.000 1.004 227 D CA 1.152 55.286 54.000 0.224 0.000 0.854 227 D CB -0.353 40.563 40.800 0.193 0.000 0.936 227 D HN 0.201 nan 8.370 nan 0.000 0.446 228 L N 0.595 121.858 121.223 0.067 0.000 1.994 228 L HA -0.179 4.161 4.340 0.001 0.000 0.208 228 L C 2.441 179.334 176.870 0.038 0.000 1.071 228 L CA 1.296 56.145 54.840 0.015 0.000 0.745 228 L CB -0.360 41.715 42.059 0.027 0.000 0.892 228 L HN 0.020 nan 8.230 nan 0.000 0.431 229 K N -0.554 119.902 120.400 0.092 0.000 2.152 229 K HA -0.224 4.096 4.320 0.001 0.000 0.206 229 K C 2.061 178.717 176.600 0.092 0.000 1.048 229 K CA 1.520 57.859 56.287 0.087 0.000 0.933 229 K CB -0.386 32.180 32.500 0.110 0.000 0.721 229 K HN 0.190 nan 8.250 nan 0.000 0.447 230 F N 1.709 121.667 119.950 0.013 0.000 2.146 230 F HA -0.076 4.452 4.527 0.001 0.000 0.298 230 F C 2.186 177.939 175.800 -0.079 0.000 1.096 230 F CA 1.617 59.608 58.000 -0.015 0.000 1.275 230 F CB -0.490 38.448 39.000 -0.102 0.000 1.008 230 F HN -0.013 nan 8.300 nan 0.000 0.480 231 G N 0.043 108.800 108.800 -0.073 0.000 2.422 231 G HA2 -0.199 3.762 3.960 0.001 0.000 0.218 231 G HA3 -0.199 3.762 3.960 0.001 0.000 0.218 231 G C 1.695 176.466 174.900 -0.215 0.000 1.146 231 G CA 1.145 46.126 45.100 -0.200 0.000 0.769 231 G HN 0.341 nan 8.290 nan 0.000 0.547 232 V N 0.749 120.577 119.914 -0.143 0.000 2.287 232 V HA -0.183 3.937 4.120 0.001 0.000 0.248 232 V C 2.803 178.810 176.094 -0.144 0.000 1.053 232 V CA 2.053 64.288 62.300 -0.108 0.000 1.027 232 V CB -0.415 31.373 31.823 -0.057 0.000 0.646 232 V HN 0.272 nan 8.190 nan 0.000 0.447 233 E N 0.103 120.185 120.200 -0.198 0.000 2.070 233 E HA -0.225 4.126 4.350 0.001 0.000 0.197 233 E C 2.328 178.764 176.600 -0.274 0.000 1.004 233 E CA 1.349 57.612 56.400 -0.229 0.000 0.805 233 E CB -0.347 29.180 29.700 -0.288 0.000 0.744 233 E HN 0.617 nan 8.360 nan 0.000 0.451 234 Q N 0.215 119.764 119.800 -0.417 0.000 2.436 234 Q HA -0.090 4.250 4.340 0.001 0.000 0.209 234 Q C 0.027 175.924 176.000 -0.172 0.000 0.965 234 Q CA 0.653 56.260 55.803 -0.327 0.000 0.910 234 Q CB -0.067 28.428 28.738 -0.405 0.000 0.980 234 Q HN 0.209 nan 8.270 nan 0.000 0.491 235 D N -0.273 120.041 120.400 -0.144 0.000 2.767 235 D HA -0.126 4.514 4.640 0.001 0.000 0.239 235 D C -0.556 175.703 176.300 -0.069 0.000 1.103 235 D CA 0.488 54.436 54.000 -0.086 0.000 0.710 235 D CB -1.343 39.419 40.800 -0.063 0.000 1.084 235 D HN 0.131 nan 8.370 nan 0.000 0.435 236 V N -1.959 117.900 119.914 -0.091 0.000 2.775 236 V HA 0.403 4.524 4.120 0.001 0.000 0.299 236 V C 1.420 177.481 176.094 -0.054 0.000 1.062 236 V CA 0.100 62.349 62.300 -0.086 0.000 1.063 236 V CB 1.348 33.090 31.823 -0.136 0.000 0.994 236 V HN -0.037 nan 8.190 nan 0.000 0.483 237 D N 2.850 123.230 120.400 -0.034 0.000 2.213 237 D HA 0.136 4.776 4.640 0.001 0.000 0.205 237 D C 0.703 177.012 176.300 0.015 0.000 0.961 237 D CA 1.505 55.510 54.000 0.008 0.000 0.853 237 D CB 0.031 40.855 40.800 0.041 0.000 0.967 237 D HN 0.796 nan 8.370 nan 0.000 0.496 238 M N -1.664 117.922 119.600 -0.023 0.000 2.603 238 M HA 0.499 4.979 4.480 0.001 0.000 0.275 238 M C -1.974 174.272 176.300 -0.091 0.000 1.226 238 M CA -0.965 54.340 55.300 0.008 0.000 0.870 238 M CB 2.245 34.914 32.600 0.114 0.000 1.716 238 M HN -0.344 nan 8.290 nan 0.000 0.482 239 V N 2.110 122.016 119.914 -0.012 0.000 2.715 239 V HA 0.620 4.740 4.120 0.001 0.000 0.310 239 V C -1.307 174.939 176.094 0.253 0.000 1.054 239 V CA -0.400 61.873 62.300 -0.045 0.000 0.928 239 V CB 2.212 34.020 31.823 -0.025 0.000 1.007 239 V HN 0.697 nan 8.190 nan 0.000 0.437 240 F N 3.280 123.195 119.950 -0.057 0.000 2.293 240 F HA 0.559 5.087 4.527 0.001 0.000 0.370 240 F C 0.719 176.494 175.800 -0.041 0.000 1.090 240 F CA -1.659 56.312 58.000 -0.047 0.000 1.133 240 F CB 0.803 39.777 39.000 -0.043 0.000 1.360 240 F HN 0.514 nan 8.300 nan 0.000 0.489 241 A N 2.792 125.694 122.820 0.137 0.000 2.444 241 A HA 0.364 4.685 4.320 0.001 0.000 0.287 241 A C 0.742 178.360 177.584 0.058 0.000 1.195 241 A CA -0.015 52.068 52.037 0.077 0.000 0.858 241 A CB -0.224 18.803 19.000 0.044 0.000 1.117 241 A HN 0.571 nan 8.150 nan 0.000 0.521 242 S N 1.389 117.139 115.700 0.083 0.000 2.572 242 S HA 0.364 4.835 4.470 0.001 0.000 0.279 242 S C 0.104 174.795 174.600 0.153 0.000 1.341 242 S CA 0.047 58.281 58.200 0.058 0.000 1.043 242 S CB -0.360 62.925 63.200 0.142 0.000 0.887 242 S HN 0.762 nan 8.310 nan 0.000 0.516 243 F N 0.194 120.143 119.950 -0.001 0.000 3.004 243 F HA -0.170 4.358 4.527 0.001 0.000 0.264 243 F C 0.200 175.990 175.800 -0.017 0.000 0.979 243 F CA -0.175 57.818 58.000 -0.012 0.000 0.896 243 F CB -1.524 37.463 39.000 -0.021 0.000 0.813 243 F HN 0.337 nan 8.300 nan 0.000 0.804 244 I N 0.730 121.342 120.570 0.070 0.000 2.471 244 I HA 0.100 4.271 4.170 0.001 0.000 0.286 244 I C 1.362 177.500 176.117 0.035 0.000 1.079 244 I CA 0.317 61.639 61.300 0.036 0.000 1.398 244 I CB 1.169 39.158 38.000 -0.018 0.000 1.403 244 I HN 0.355 nan 8.210 nan 0.000 0.530 245 R N 4.285 124.804 120.500 0.032 0.000 2.419 245 R HA 0.180 4.520 4.340 0.001 0.000 0.235 245 R C -0.331 175.966 176.300 -0.004 0.000 0.899 245 R CA 0.097 56.215 56.100 0.030 0.000 1.048 245 R CB 0.719 31.045 30.300 0.044 0.000 1.182 245 R HN 0.647 nan 8.270 nan 0.000 0.544 246 K N -2.436 117.941 120.400 -0.037 0.000 2.579 246 K HA 0.538 4.859 4.320 0.001 0.000 0.284 246 K C -0.044 176.479 176.600 -0.128 0.000 0.990 246 K CA -0.413 55.836 56.287 -0.063 0.000 0.880 246 K CB 1.104 33.581 32.500 -0.039 0.000 1.488 246 K HN -0.169 nan 8.250 nan 0.000 0.425 247 A N 1.157 123.882 122.820 -0.158 0.000 1.908 247 A HA -0.177 4.144 4.320 0.001 0.000 0.218 247 A C 2.282 179.573 177.584 -0.488 0.000 1.181 247 A CA 2.498 54.363 52.037 -0.287 0.000 0.627 247 A CB -1.264 17.614 19.000 -0.205 0.000 0.818 247 A HN 0.862 nan 8.150 nan 0.000 0.445 248 A N 0.506 123.168 122.820 -0.265 0.000 1.869 248 A HA -0.314 4.007 4.320 0.001 0.000 0.218 248 A C 1.735 179.245 177.584 -0.124 0.000 1.203 248 A CA 2.276 54.230 52.037 -0.138 0.000 0.638 248 A CB -0.965 18.026 19.000 -0.015 0.000 0.831 248 A HN 0.502 nan 8.150 nan 0.000 0.450 249 D N -0.387 119.956 120.400 -0.095 0.000 2.158 249 D HA -0.120 4.520 4.640 0.001 0.000 0.197 249 D C 1.834 178.093 176.300 -0.068 0.000 0.995 249 D CA 1.536 55.505 54.000 -0.051 0.000 0.846 249 D CB -0.597 40.187 40.800 -0.027 0.000 0.941 249 D HN 0.274 nan 8.370 nan 0.000 0.456 250 V N 0.321 120.142 119.914 -0.156 0.000 2.970 250 V HA -0.174 3.947 4.120 0.001 0.000 0.260 250 V C 1.781 177.834 176.094 -0.067 0.000 1.100 250 V CA 1.323 63.544 62.300 -0.133 0.000 1.122 250 V CB -0.701 30.997 31.823 -0.208 0.000 0.721 250 V HN 0.334 nan 8.190 nan 0.000 0.483 251 H N 0.018 119.087 119.070 -0.002 0.000 2.317 251 H HA -0.080 4.476 4.556 0.001 0.000 0.304 251 H C 2.416 177.747 175.328 0.006 0.000 1.067 251 H CA 1.278 57.326 56.048 0.000 0.000 1.352 251 H CB 0.151 29.913 29.762 -0.001 0.000 1.398 251 H HN 0.364 nan 8.280 nan 0.000 0.510 252 E N 0.528 120.808 120.200 0.133 0.000 2.113 252 E HA -0.245 4.106 4.350 0.001 0.000 0.210 252 E C 2.259 178.895 176.600 0.060 0.000 1.040 252 E CA 1.975 58.422 56.400 0.077 0.000 0.847 252 E CB -0.064 29.668 29.700 0.052 0.000 0.755 252 E HN 0.162 nan 8.360 nan 0.000 0.459 253 V N 0.387 120.331 119.914 0.050 0.000 2.324 253 V HA -0.315 3.805 4.120 0.001 0.000 0.250 253 V C 2.397 178.517 176.094 0.044 0.000 1.060 253 V CA 2.276 64.600 62.300 0.040 0.000 1.042 253 V CB -0.549 31.292 31.823 0.031 0.000 0.650 253 V HN 0.241 nan 8.190 nan 0.000 0.450 254 R N 0.234 120.771 120.500 0.062 0.000 2.083 254 R HA -0.221 4.120 4.340 0.001 0.000 0.237 254 R C 2.436 178.763 176.300 0.045 0.000 1.137 254 R CA 2.188 58.324 56.100 0.060 0.000 0.951 254 R CB -0.336 30.016 30.300 0.087 0.000 0.851 254 R HN 0.557 nan 8.270 nan 0.000 0.434 255 K N 0.157 120.586 120.400 0.050 0.000 1.991 255 K HA -0.179 4.142 4.320 0.001 0.000 0.212 255 K C 1.890 178.508 176.600 0.031 0.000 1.049 255 K CA 1.929 58.237 56.287 0.035 0.000 0.932 255 K CB -0.233 32.290 32.500 0.038 0.000 0.717 255 K HN 0.080 nan 8.250 nan 0.000 0.441 256 I N 1.343 121.934 120.570 0.035 0.000 2.399 256 I HA -0.252 3.919 4.170 0.001 0.000 0.254 256 I C 2.000 178.133 176.117 0.028 0.000 1.146 256 I CA 0.932 62.252 61.300 0.033 0.000 1.412 256 I CB -0.197 37.825 38.000 0.037 0.000 1.076 256 I HN 0.219 nan 8.210 nan 0.000 0.432 257 L N -0.373 120.865 121.223 0.025 0.000 2.341 257 L HA 0.219 4.560 4.340 0.001 0.000 0.214 257 L C 1.621 178.499 176.870 0.014 0.000 1.115 257 L CA 1.013 55.863 54.840 0.016 0.000 0.820 257 L CB -1.165 40.903 42.059 0.014 0.000 0.944 257 L HN 0.395 nan 8.230 nan 0.000 0.452 258 G N -0.488 108.323 108.800 0.017 0.000 2.581 258 G HA2 -0.365 3.595 3.960 0.001 0.000 0.289 258 G HA3 -0.365 3.595 3.960 0.001 0.000 0.289 258 G C 0.937 175.843 174.900 0.011 0.000 1.303 258 G CA 0.435 45.543 45.100 0.014 0.000 0.931 258 G HN 0.267 nan 8.290 nan 0.000 0.555 259 E N -0.119 120.086 120.200 0.008 0.000 2.208 259 E HA -0.060 4.290 4.350 0.001 0.000 0.193 259 E C 2.429 179.032 176.600 0.005 0.000 0.988 259 E CA 0.902 57.307 56.400 0.007 0.000 0.828 259 E CB -0.068 29.636 29.700 0.006 0.000 0.763 259 E HN 0.469 nan 8.360 nan 0.000 0.478 260 K N -0.106 120.295 120.400 0.003 0.000 2.296 260 K HA -0.032 4.289 4.320 0.001 0.000 0.200 260 K C 1.483 178.080 176.600 -0.004 0.000 1.048 260 K CA 0.842 57.127 56.287 -0.002 0.000 0.966 260 K CB 0.276 32.772 32.500 -0.006 0.000 0.754 260 K HN 0.045 nan 8.250 nan 0.000 0.466 261 G N 1.047 109.846 108.800 -0.001 0.000 3.575 261 G HA2 0.003 3.964 3.960 0.001 0.000 0.273 261 G HA3 0.003 3.964 3.960 0.001 0.000 0.273 261 G C 0.805 175.710 174.900 0.009 0.000 1.053 261 G CA -0.362 44.737 45.100 -0.002 0.000 0.803 261 G HN 0.234 nan 8.290 nan 0.000 0.528 262 K N 0.891 121.299 120.400 0.013 0.000 2.113 262 K HA -0.177 4.143 4.320 0.001 0.000 0.208 262 K C 1.279 177.896 176.600 0.028 0.000 1.047 262 K CA 1.740 58.039 56.287 0.020 0.000 0.928 262 K CB -0.265 32.246 32.500 0.019 0.000 0.716 262 K HN 0.236 nan 8.250 nan 0.000 0.446 263 N N 0.665 119.382 118.700 0.028 0.000 2.383 263 N HA 0.147 4.887 4.740 0.001 0.000 0.192 263 N C -0.144 175.391 175.510 0.042 0.000 1.141 263 N CA 0.190 53.264 53.050 0.040 0.000 0.851 263 N CB 0.072 38.584 38.487 0.042 0.000 0.976 263 N HN 0.164 nan 8.380 nan 0.000 0.465 264 I N 1.364 121.952 120.570 0.029 0.000 2.441 264 I HA 0.028 4.198 4.170 0.001 0.000 0.287 264 I C 0.329 176.470 176.117 0.041 0.000 1.049 264 I CA -0.335 60.979 61.300 0.024 0.000 1.381 264 I CB 0.716 38.717 38.000 0.001 0.000 1.409 264 I HN -0.058 nan 8.210 nan 0.000 0.523 265 K N 7.630 128.064 120.400 0.057 0.000 2.234 265 K HA 0.464 4.785 4.320 0.001 0.000 0.282 265 K C -0.520 176.125 176.600 0.076 0.000 1.039 265 K CA -0.451 55.879 56.287 0.072 0.000 0.928 265 K CB 1.511 34.066 32.500 0.092 0.000 1.039 265 K HN 0.512 nan 8.250 nan 0.000 0.470 266 I N 4.633 125.239 120.570 0.062 0.000 2.312 266 I HA 0.115 4.285 4.170 0.001 0.000 0.291 266 I C -0.132 176.013 176.117 0.046 0.000 1.031 266 I CA -0.691 60.645 61.300 0.060 0.000 1.293 266 I CB 0.597 38.619 38.000 0.037 0.000 1.403 266 I HN 0.275 nan 8.210 nan 0.000 0.484 267 I N 5.777 126.397 120.570 0.083 0.000 2.361 267 I HA 0.162 4.333 4.170 0.001 0.000 0.282 267 I C 0.489 176.579 176.117 -0.044 0.000 1.075 267 I CA -0.390 60.901 61.300 -0.016 0.000 1.205 267 I CB 0.346 38.277 38.000 -0.115 0.000 1.406 267 I HN 0.426 nan 8.210 nan 0.000 0.481 268 S N 6.235 121.899 115.700 -0.060 0.000 2.549 268 S HA 0.204 4.674 4.470 0.001 0.000 0.286 268 S C 0.373 174.920 174.600 -0.088 0.000 1.314 268 S CA -0.369 57.794 58.200 -0.063 0.000 1.062 268 S CB 0.560 63.711 63.200 -0.081 0.000 0.865 268 S HN 0.361 nan 8.310 nan 0.000 0.498 269 K N 2.412 122.760 120.400 -0.086 0.000 2.213 269 K HA 0.375 4.695 4.320 0.001 0.000 0.270 269 K C -0.700 175.832 176.600 -0.113 0.000 1.002 269 K CA -0.585 55.627 56.287 -0.125 0.000 0.868 269 K CB 0.948 33.355 32.500 -0.156 0.000 1.093 269 K HN 0.442 nan 8.250 nan 0.000 0.454 270 I N 3.425 123.944 120.570 -0.085 0.000 2.308 270 I HA 0.068 4.239 4.170 0.001 0.000 0.293 270 I C 0.631 176.675 176.117 -0.120 0.000 1.078 270 I CA 0.503 61.770 61.300 -0.053 0.000 1.292 270 I CB 0.490 38.507 38.000 0.028 0.000 1.423 270 I HN 0.804 nan 8.210 nan 0.000 0.493 271 E N 4.673 124.786 120.200 -0.145 0.000 2.641 271 E HA 0.111 4.462 4.350 0.001 0.000 0.224 271 E C -0.211 176.345 176.600 -0.073 0.000 0.951 271 E CA -0.097 56.176 56.400 -0.212 0.000 1.102 271 E CB 0.736 30.087 29.700 -0.582 0.000 1.091 271 E HN 0.747 nan 8.360 nan 0.000 0.507 272 N N -1.715 116.986 118.700 0.003 0.000 3.106 272 N HA 0.010 4.750 4.740 0.001 0.000 0.253 272 N C 0.339 175.897 175.510 0.080 0.000 1.506 272 N CA -0.522 52.569 53.050 0.069 0.000 0.876 272 N CB 0.804 39.382 38.487 0.151 0.000 1.452 272 N HN -0.119 nan 8.380 nan 0.000 0.542 273 H N 0.117 119.192 119.070 0.008 0.000 2.265 273 H HA -0.126 4.431 4.556 0.001 0.000 0.295 273 H C 1.599 176.933 175.328 0.010 0.000 1.084 273 H CA 2.560 58.607 56.048 -0.001 0.000 1.261 273 H CB 0.296 30.055 29.762 -0.005 0.000 1.360 273 H HN 0.728 nan 8.280 nan 0.000 0.487 274 E N -0.647 119.687 120.200 0.223 0.000 2.097 274 E HA -0.178 4.172 4.350 0.001 0.000 0.196 274 E C 2.427 179.090 176.600 0.104 0.000 1.000 274 E CA 0.836 57.324 56.400 0.147 0.000 0.804 274 E CB -0.339 29.412 29.700 0.086 0.000 0.740 274 E HN 0.677 nan 8.360 nan 0.000 0.454 275 G N 0.258 109.111 108.800 0.088 0.000 2.450 275 G HA2 -0.246 3.715 3.960 0.001 0.000 0.220 275 G HA3 -0.246 3.715 3.960 0.001 0.000 0.220 275 G C 1.614 176.577 174.900 0.104 0.000 1.130 275 G CA 0.968 46.111 45.100 0.071 0.000 0.760 275 G HN 0.194 nan 8.290 nan 0.000 0.557 276 V N 0.204 120.158 119.914 0.066 0.000 2.323 276 V HA -0.088 4.033 4.120 0.001 0.000 0.244 276 V C 2.824 178.964 176.094 0.076 0.000 1.041 276 V CA 1.788 64.109 62.300 0.036 0.000 1.025 276 V CB -0.496 31.255 31.823 -0.120 0.000 0.656 276 V HN 0.276 nan 8.190 nan 0.000 0.451 277 R N 0.279 120.818 120.500 0.064 0.000 2.096 277 R HA -0.125 4.216 4.340 0.001 0.000 0.240 277 R C 1.629 177.980 176.300 0.086 0.000 1.139 277 R CA 1.538 57.688 56.100 0.082 0.000 0.952 277 R CB -0.158 30.219 30.300 0.129 0.000 0.854 277 R HN 0.491 nan 8.270 nan 0.000 0.436 278 R N -0.268 120.280 120.500 0.081 0.000 2.893 278 R HA 0.068 4.408 4.340 0.001 0.000 0.317 278 R C 0.751 177.066 176.300 0.024 0.000 1.239 278 R CA -0.325 55.800 56.100 0.042 0.000 1.128 278 R CB -0.013 30.294 30.300 0.011 0.000 1.377 278 R HN 0.154 nan 8.270 nan 0.000 0.583 279 F N 2.149 122.076 119.950 -0.038 0.000 2.069 279 F HA -0.242 4.286 4.527 0.001 0.000 0.298 279 F C 1.605 177.378 175.800 -0.044 0.000 1.113 279 F CA 1.828 59.798 58.000 -0.049 0.000 1.214 279 F CB 0.092 39.056 39.000 -0.060 0.000 0.978 279 F HN 0.059 nan 8.300 nan 0.000 0.474 280 D N 0.521 120.917 120.400 -0.007 0.000 2.137 280 D HA -0.289 4.352 4.640 0.001 0.000 0.189 280 D C 2.211 178.399 176.300 -0.187 0.000 0.998 280 D CA 2.151 56.108 54.000 -0.071 0.000 0.839 280 D CB -0.787 40.041 40.800 0.048 0.000 0.962 280 D HN 0.690 nan 8.370 nan 0.000 0.446 281 E N 0.756 120.880 120.200 -0.128 0.000 2.085 281 E HA -0.173 4.178 4.350 0.001 0.000 0.194 281 E C 2.461 178.947 176.600 -0.189 0.000 0.994 281 E CA 0.926 57.254 56.400 -0.120 0.000 0.801 281 E CB -0.558 29.098 29.700 -0.074 0.000 0.743 281 E HN 0.301 nan 8.360 nan 0.000 0.453 282 I N 1.193 121.612 120.570 -0.252 0.000 2.127 282 I HA -0.283 3.887 4.170 0.001 0.000 0.241 282 I C 2.821 178.714 176.117 -0.373 0.000 1.075 282 I CA 1.162 62.284 61.300 -0.297 0.000 1.334 282 I CB -0.440 37.379 38.000 -0.302 0.000 1.040 282 I HN 0.264 nan 8.210 nan 0.000 0.405 283 L N 0.716 121.570 121.223 -0.615 0.000 2.079 283 L HA -0.270 4.070 4.340 0.001 0.000 0.210 283 L C 2.612 179.333 176.870 -0.248 0.000 1.081 283 L CA 1.745 56.268 54.840 -0.529 0.000 0.752 283 L CB -0.456 41.220 42.059 -0.638 0.000 0.896 283 L HN 0.382 nan 8.230 nan 0.000 0.433 284 E N -0.262 119.820 120.200 -0.197 0.000 2.110 284 E HA -0.227 4.124 4.350 0.001 0.000 0.193 284 E C 1.774 178.341 176.600 -0.055 0.000 0.988 284 E CA 1.245 57.590 56.400 -0.092 0.000 0.804 284 E CB 0.073 29.736 29.700 -0.062 0.000 0.745 284 E HN 0.569 nan 8.360 nan 0.000 0.458 285 A N 0.278 123.050 122.820 -0.081 0.000 2.251 285 A HA 0.117 4.437 4.320 0.001 0.000 0.209 285 A C 0.683 178.242 177.584 -0.043 0.000 1.187 285 A CA -0.042 51.977 52.037 -0.030 0.000 0.823 285 A CB 0.324 19.260 19.000 -0.107 0.000 0.846 285 A HN 0.077 nan 8.150 nan 0.000 0.486 286 S N 0.053 115.702 115.700 -0.084 0.000 2.593 286 S HA 0.363 4.834 4.470 0.001 0.000 0.297 286 S C -0.229 174.347 174.600 -0.039 0.000 1.112 286 S CA -0.604 57.556 58.200 -0.067 0.000 1.043 286 S CB 1.453 64.589 63.200 -0.106 0.000 1.054 286 S HN 0.270 nan 8.310 nan 0.000 0.516 287 D N 0.872 121.262 120.400 -0.016 0.000 2.277 287 D HA 0.253 4.894 4.640 0.001 0.000 0.208 287 D C 0.972 177.252 176.300 -0.033 0.000 0.962 287 D CA 0.837 54.839 54.000 0.004 0.000 0.865 287 D CB 0.118 40.939 40.800 0.034 0.000 0.939 287 D HN 0.674 nan 8.370 nan 0.000 0.510 288 G N -0.856 107.908 108.800 -0.061 0.000 2.554 288 G HA2 0.546 4.507 3.960 0.001 0.000 0.306 288 G HA3 0.546 4.507 3.960 0.001 0.000 0.306 288 G C -1.742 173.096 174.900 -0.104 0.000 1.320 288 G CA -0.572 44.467 45.100 -0.101 0.000 0.800 288 G HN -0.061 nan 8.290 nan 0.000 0.481 289 I N 0.383 120.881 120.570 -0.120 0.000 2.841 289 I HA 0.483 4.653 4.170 0.001 0.000 0.298 289 I C -0.776 175.247 176.117 -0.156 0.000 1.304 289 I CA -0.504 60.737 61.300 -0.097 0.000 1.019 289 I CB 2.214 40.227 38.000 0.023 0.000 1.282 289 I HN 0.778 nan 8.210 nan 0.000 0.432 290 M N 5.517 125.010 119.600 -0.178 0.000 2.395 290 M HA 0.582 5.063 4.480 0.001 0.000 0.307 290 M C -1.718 174.494 176.300 -0.146 0.000 1.091 290 M CA -0.633 54.532 55.300 -0.224 0.000 0.919 290 M CB 2.187 34.560 32.600 -0.379 0.000 1.662 290 M HN 0.261 nan 8.290 nan 0.000 0.440 291 V N 4.349 124.185 119.914 -0.130 0.000 2.353 291 V HA 0.443 4.564 4.120 0.001 0.000 0.264 291 V C 0.547 176.574 176.094 -0.112 0.000 1.049 291 V CA -0.583 61.652 62.300 -0.109 0.000 0.896 291 V CB 0.202 31.965 31.823 -0.100 0.000 1.025 291 V HN 0.876 nan 8.190 nan 0.000 0.475 292 A N 5.224 127.970 122.820 -0.124 0.000 2.922 292 A HA 0.369 4.690 4.320 0.001 0.000 0.298 292 A C 1.464 178.986 177.584 -0.103 0.000 1.588 292 A CA -0.386 51.575 52.037 -0.128 0.000 1.288 292 A CB -0.316 18.571 19.000 -0.187 0.000 1.130 292 A HN 0.891 nan 8.150 nan 0.000 0.557 293 R N 1.575 122.031 120.500 -0.072 0.000 2.094 293 R HA -0.171 4.169 4.340 0.001 0.000 0.239 293 R C 2.412 178.686 176.300 -0.043 0.000 1.137 293 R CA 2.023 58.092 56.100 -0.052 0.000 0.943 293 R CB -0.452 29.829 30.300 -0.032 0.000 0.850 293 R HN 0.709 nan 8.270 nan 0.000 0.433 294 G N 1.141 109.922 108.800 -0.031 0.000 2.672 294 G HA2 -0.348 3.613 3.960 0.001 0.000 0.218 294 G HA3 -0.348 3.613 3.960 0.001 0.000 0.218 294 G C 1.071 175.958 174.900 -0.021 0.000 1.238 294 G CA 1.454 46.546 45.100 -0.013 0.000 0.791 294 G HN 0.281 nan 8.290 nan 0.000 0.606 295 D N -0.156 120.219 120.400 -0.042 0.000 2.117 295 D HA -0.073 4.568 4.640 0.001 0.000 0.197 295 D C 2.521 178.794 176.300 -0.044 0.000 0.987 295 D CA 0.708 54.688 54.000 -0.033 0.000 0.829 295 D CB -0.115 40.623 40.800 -0.102 0.000 0.961 295 D HN 0.144 nan 8.370 nan 0.000 0.460 296 L N 1.191 122.369 121.223 -0.076 0.000 2.012 296 L HA -0.057 4.283 4.340 0.001 0.000 0.210 296 L C 2.321 179.153 176.870 -0.064 0.000 1.073 296 L CA 1.873 56.669 54.840 -0.072 0.000 0.748 296 L CB -1.137 40.868 42.059 -0.090 0.000 0.891 296 L HN 0.008 nan 8.230 nan 0.000 0.431 297 G N -1.268 107.498 108.800 -0.056 0.000 2.535 297 G HA2 -0.184 3.777 3.960 0.001 0.000 0.218 297 G HA3 -0.184 3.777 3.960 0.001 0.000 0.218 297 G C 1.455 176.308 174.900 -0.078 0.000 1.122 297 G CA 1.129 46.199 45.100 -0.051 0.000 0.769 297 G HN 0.513 nan 8.290 nan 0.000 0.549 298 I N -1.250 119.263 120.570 -0.095 0.000 3.445 298 I HA 0.184 4.354 4.170 0.001 0.000 0.288 298 I C 2.274 178.271 176.117 -0.201 0.000 1.198 298 I CA 0.212 61.399 61.300 -0.189 0.000 1.417 298 I CB 0.225 38.133 38.000 -0.154 0.000 1.205 298 I HN -0.000 nan 8.210 nan 0.000 0.448 299 E N 1.570 121.718 120.200 -0.086 0.000 2.106 299 E HA -0.037 4.314 4.350 0.001 0.000 0.192 299 E C 0.659 177.245 176.600 -0.024 0.000 0.984 299 E CA 0.911 57.291 56.400 -0.033 0.000 0.806 299 E CB 0.140 29.865 29.700 0.041 0.000 0.750 299 E HN 0.547 nan 8.360 nan 0.000 0.458 300 I N -3.949 116.595 120.570 -0.043 0.000 2.957 300 I HA 0.557 4.727 4.170 0.001 0.000 0.310 300 I C -2.518 173.565 176.117 -0.058 0.000 1.063 300 I CA -3.147 58.133 61.300 -0.032 0.000 1.033 300 I CB 1.996 39.959 38.000 -0.062 0.000 1.230 300 I HN -0.343 nan 8.210 nan 0.000 0.447 301 P HA 0.117 nan 4.420 nan 0.000 0.268 301 P C 0.380 177.664 177.300 -0.026 0.000 1.205 301 P CA 0.019 63.102 63.100 -0.029 0.000 0.771 301 P CB 1.213 32.910 31.700 -0.005 0.000 0.858 302 A N 3.967 126.780 122.820 -0.011 0.000 1.948 302 A HA -0.260 4.060 4.320 0.001 0.000 0.220 302 A C 1.691 179.304 177.584 0.048 0.000 1.177 302 A CA 1.917 53.960 52.037 0.010 0.000 0.636 302 A CB -1.051 17.961 19.000 0.021 0.000 0.815 302 A HN 0.677 nan 8.150 nan 0.000 0.449 303 E N 0.260 120.495 120.200 0.058 0.000 2.204 303 E HA -0.148 4.202 4.350 0.001 0.000 0.194 303 E C 1.612 178.286 176.600 0.123 0.000 0.989 303 E CA 1.301 57.773 56.400 0.120 0.000 0.824 303 E CB -0.159 29.596 29.700 0.091 0.000 0.756 303 E HN 0.673 nan 8.360 nan 0.000 0.477 304 K N 0.734 121.121 120.400 -0.021 0.000 2.379 304 K HA 0.094 4.415 4.320 0.001 0.000 0.194 304 K C 1.964 178.384 176.600 -0.300 0.000 1.031 304 K CA 0.240 56.412 56.287 -0.192 0.000 1.037 304 K CB 0.318 32.717 32.500 -0.168 0.000 0.824 304 K HN -0.047 nan 8.250 nan 0.000 0.516 305 V N 2.461 122.289 119.914 -0.143 0.000 2.250 305 V HA -0.319 3.802 4.120 0.001 0.000 0.250 305 V C 2.245 178.223 176.094 -0.194 0.000 1.060 305 V CA 2.324 64.545 62.300 -0.131 0.000 1.030 305 V CB -0.791 31.014 31.823 -0.031 0.000 0.643 305 V HN 0.382 nan 8.190 nan 0.000 0.445 306 F N 0.117 120.033 119.950 -0.057 0.000 2.250 306 F HA -0.147 4.381 4.527 0.001 0.000 0.301 306 F C 1.928 177.688 175.800 -0.067 0.000 1.077 306 F CA 1.463 59.429 58.000 -0.056 0.000 1.348 306 F CB -1.089 37.887 39.000 -0.040 0.000 1.040 306 F HN 0.093 nan 8.300 nan 0.000 0.509 307 L N 0.585 121.036 121.223 -1.287 0.000 2.093 307 L HA -0.105 4.236 4.340 0.001 0.000 0.208 307 L C 2.973 179.602 176.870 -0.402 0.000 1.085 307 L CA 1.089 55.473 54.840 -0.761 0.000 0.755 307 L CB -1.218 40.459 42.059 -0.636 0.000 0.904 307 L HN 0.379 nan 8.230 nan 0.000 0.435 308 A N -0.094 122.509 122.820 -0.362 0.000 1.855 308 A HA -0.272 4.049 4.320 0.001 0.000 0.215 308 A C 2.274 179.713 177.584 -0.243 0.000 1.191 308 A CA 1.667 53.534 52.037 -0.284 0.000 0.613 308 A CB -0.666 18.187 19.000 -0.245 0.000 0.829 308 A HN 0.475 nan 8.150 nan 0.000 0.442 309 Q N -0.068 119.624 119.800 -0.180 0.000 2.133 309 Q HA -0.267 4.074 4.340 0.001 0.000 0.208 309 Q C 1.795 177.724 176.000 -0.118 0.000 0.991 309 Q CA 2.220 57.950 55.803 -0.121 0.000 0.867 309 Q CB -0.134 28.576 28.738 -0.048 0.000 0.911 309 Q HN 0.627 nan 8.270 nan 0.000 0.417 310 K N -0.028 120.308 120.400 -0.107 0.000 2.076 310 K HA -0.095 4.225 4.320 0.001 0.000 0.204 310 K C 2.205 178.723 176.600 -0.136 0.000 1.051 310 K CA 0.960 57.198 56.287 -0.083 0.000 0.949 310 K CB -0.452 32.038 32.500 -0.016 0.000 0.726 310 K HN 0.357 nan 8.250 nan 0.000 0.443 311 M N 1.761 121.246 119.600 -0.192 0.000 2.065 311 M HA -0.171 4.310 4.480 0.001 0.000 0.259 311 M C 2.207 178.311 176.300 -0.327 0.000 1.071 311 M CA 1.638 56.795 55.300 -0.238 0.000 1.109 311 M CB -0.501 31.932 32.600 -0.279 0.000 1.313 311 M HN 0.052 nan 8.290 nan 0.000 0.408 312 I N 0.433 120.733 120.570 -0.450 0.000 2.118 312 I HA -0.373 3.797 4.170 0.001 0.000 0.241 312 I C 2.374 178.336 176.117 -0.258 0.000 1.070 312 I CA 1.627 62.583 61.300 -0.572 0.000 1.327 312 I CB -0.451 37.238 38.000 -0.518 0.000 1.034 312 I HN 0.299 nan 8.210 nan 0.000 0.405 313 I N 0.442 120.908 120.570 -0.174 0.000 2.286 313 I HA -0.226 3.945 4.170 0.001 0.000 0.248 313 I C 2.570 178.637 176.117 -0.084 0.000 1.115 313 I CA 1.583 62.823 61.300 -0.101 0.000 1.392 313 I CB -0.885 37.068 38.000 -0.078 0.000 1.065 313 I HN 0.290 nan 8.210 nan 0.000 0.418 314 G N 0.408 109.147 108.800 -0.101 0.000 2.552 314 G HA2 -0.273 3.688 3.960 0.001 0.000 0.216 314 G HA3 -0.273 3.688 3.960 0.001 0.000 0.216 314 G C 1.733 176.596 174.900 -0.060 0.000 1.240 314 G CA 0.734 45.786 45.100 -0.079 0.000 0.796 314 G HN 0.198 nan 8.290 nan 0.000 0.568 315 R N -0.788 119.669 120.500 -0.072 0.000 2.140 315 R HA -0.154 4.187 4.340 0.001 0.000 0.250 315 R C 2.745 179.083 176.300 0.064 0.000 1.150 315 R CA 1.804 57.907 56.100 0.004 0.000 0.966 315 R CB -0.791 29.509 30.300 -0.001 0.000 0.869 315 R HN 0.445 nan 8.270 nan 0.000 0.445 316 C N -0.293 119.040 119.300 0.053 0.000 2.462 316 C HA -0.059 4.401 4.460 0.001 0.000 0.278 316 C C 2.234 177.221 174.990 -0.005 0.000 1.253 316 C CA 0.676 59.726 59.018 0.053 0.000 1.713 316 C CB -1.161 26.595 27.740 0.027 0.000 2.049 316 C HN 0.606 nan 8.230 nan 0.000 0.477 317 N N 0.035 118.717 118.700 -0.031 0.000 2.184 317 N HA -0.213 4.527 4.740 0.001 0.000 0.190 317 N C 2.077 177.549 175.510 -0.064 0.000 1.011 317 N CA 1.029 54.047 53.050 -0.053 0.000 0.867 317 N CB -0.279 38.176 38.487 -0.054 0.000 0.993 317 N HN 0.541 nan 8.380 nan 0.000 0.433 318 R N 1.089 121.566 120.500 -0.039 0.000 2.073 318 R HA -0.019 4.322 4.340 0.001 0.000 0.229 318 R C 1.909 178.194 176.300 -0.024 0.000 1.120 318 R CA 1.234 57.313 56.100 -0.034 0.000 0.967 318 R CB -0.128 30.165 30.300 -0.012 0.000 0.862 318 R HN 0.108 nan 8.270 nan 0.000 0.436 319 A N -0.015 122.803 122.820 -0.002 0.000 2.067 319 A HA 0.142 4.463 4.320 0.001 0.000 0.217 319 A C 1.333 178.914 177.584 -0.006 0.000 1.156 319 A CA 0.967 53.011 52.037 0.012 0.000 0.683 319 A CB -0.306 18.711 19.000 0.028 0.000 0.808 319 A HN 0.588 nan 8.150 nan 0.000 0.455 320 G N -0.551 108.231 108.800 -0.030 0.000 2.225 320 G HA2 -0.225 3.735 3.960 0.001 0.000 0.264 320 G HA3 -0.225 3.735 3.960 0.001 0.000 0.264 320 G C -0.123 174.792 174.900 0.025 0.000 1.060 320 G CA 0.467 45.553 45.100 -0.024 0.000 0.833 320 G HN 0.546 nan 8.290 nan 0.000 0.498 321 K N 0.729 121.118 120.400 -0.018 0.000 2.323 321 K HA 0.438 4.759 4.320 0.001 0.000 0.259 321 K C -2.491 174.018 176.600 -0.152 0.000 0.947 321 K CA -2.132 54.120 56.287 -0.058 0.000 0.819 321 K CB 2.540 35.020 32.500 -0.035 0.000 1.109 321 K HN -0.020 nan 8.250 nan 0.000 0.429 322 P HA -0.098 nan 4.420 nan 0.000 0.264 322 P C -0.771 176.402 177.300 -0.213 0.000 1.179 322 P CA -0.147 62.730 63.100 -0.372 0.000 0.763 322 P CB 0.594 31.967 31.700 -0.545 0.000 0.806 323 V N 4.573 124.379 119.914 -0.179 0.000 2.808 323 V HA 0.548 4.669 4.120 0.001 0.000 0.308 323 V C -1.028 174.982 176.094 -0.139 0.000 1.099 323 V CA -0.891 61.329 62.300 -0.133 0.000 0.920 323 V CB 1.657 33.431 31.823 -0.082 0.000 1.014 323 V HN 0.279 nan 8.190 nan 0.000 0.425 324 I N 6.330 126.806 120.570 -0.158 0.000 2.404 324 I HA 0.504 4.674 4.170 0.001 0.000 0.293 324 I C -0.203 175.837 176.117 -0.128 0.000 0.992 324 I CA -0.359 60.846 61.300 -0.157 0.000 1.149 324 I CB 1.670 39.520 38.000 -0.250 0.000 1.315 324 I HN 0.689 nan 8.210 nan 0.000 0.446 325 C N 6.173 125.420 119.300 -0.089 0.000 2.319 325 C HA 0.922 5.383 4.460 0.001 0.000 0.335 325 C C 0.261 175.216 174.990 -0.058 0.000 1.274 325 C CA -0.001 58.976 59.018 -0.069 0.000 1.806 325 C CB -0.232 27.482 27.740 -0.043 0.000 2.329 325 C HN 0.906 nan 8.230 nan 0.000 0.524 326 A N 4.202 126.988 122.820 -0.056 0.000 2.594 326 A HA 0.930 5.250 4.320 0.001 0.000 0.291 326 A C -0.220 177.351 177.584 -0.021 0.000 1.105 326 A CA -0.078 51.938 52.037 -0.036 0.000 0.694 326 A CB 1.016 19.988 19.000 -0.047 0.000 1.291 326 A HN 1.450 nan 8.150 nan 0.000 0.410 327 T N 0.524 115.077 114.554 -0.001 0.000 0.541 327 T HA -0.101 4.249 4.350 0.001 0.000 0.774 327 T C 0.225 174.933 174.700 0.013 0.000 0.992 327 T CA 0.765 62.870 62.100 0.009 0.000 4.077 327 T CB -0.858 68.009 68.868 -0.001 0.000 2.303 327 T HN 1.689 nan 8.240 nan 0.000 0.398 328 Q N -0.101 119.713 119.800 0.023 0.000 2.375 328 Q HA -0.321 4.020 4.340 0.001 0.000 0.242 328 Q C 1.598 177.610 176.000 0.020 0.000 0.956 328 Q CA 1.713 57.530 55.803 0.024 0.000 1.163 328 Q CB -1.104 27.649 28.738 0.024 0.000 1.680 328 Q HN 0.769 nan 8.270 nan 0.000 0.547 329 M N -1.080 118.532 119.600 0.020 0.000 2.159 329 M HA -0.127 4.354 4.480 0.001 0.000 0.263 329 M C 0.766 177.078 176.300 0.019 0.000 1.063 329 M CA 1.211 56.521 55.300 0.017 0.000 1.110 329 M CB 0.117 32.727 32.600 0.017 0.000 1.374 329 M HN 0.175 nan 8.290 nan 0.000 0.411 330 L N -0.508 120.730 121.223 0.025 0.000 3.393 330 L HA 0.203 4.543 4.340 0.001 0.000 0.319 330 L C 1.248 178.136 176.870 0.029 0.000 1.309 330 L CA 0.188 55.043 54.840 0.025 0.000 0.962 330 L CB -0.043 42.035 42.059 0.031 0.000 1.391 330 L HN 0.072 nan 8.230 nan 0.000 0.607 331 E N -0.389 119.828 120.200 0.029 0.000 2.114 331 E HA -0.298 4.052 4.350 0.001 0.000 0.199 331 E C 1.938 178.557 176.600 0.032 0.000 1.008 331 E CA 1.725 58.145 56.400 0.034 0.000 0.810 331 E CB 0.151 29.870 29.700 0.033 0.000 0.739 331 E HN 0.501 nan 8.360 nan 0.000 0.456 332 S N 0.490 116.201 115.700 0.018 0.000 2.407 332 S HA -0.188 4.282 4.470 0.001 0.000 0.235 332 S C 1.838 176.442 174.600 0.007 0.000 1.036 332 S CA 1.227 59.431 58.200 0.007 0.000 1.013 332 S CB -0.176 63.020 63.200 -0.007 0.000 0.820 332 S HN 0.212 nan 8.310 nan 0.000 0.476 333 M N 0.329 119.938 119.600 0.014 0.000 2.682 333 M HA 0.217 4.698 4.480 0.001 0.000 0.235 333 M C 1.295 177.666 176.300 0.119 0.000 1.114 333 M CA 0.319 55.636 55.300 0.029 0.000 1.053 333 M CB -0.147 32.472 32.600 0.031 0.000 1.599 333 M HN 0.387 nan 8.290 nan 0.000 0.520 334 I N -0.340 120.293 120.570 0.105 0.000 2.716 334 I HA -0.191 3.980 4.170 0.001 0.000 0.259 334 I C 2.029 178.253 176.117 0.177 0.000 1.172 334 I CA 1.046 62.422 61.300 0.126 0.000 1.478 334 I CB 0.102 38.150 38.000 0.081 0.000 1.104 334 I HN 0.194 nan 8.210 nan 0.000 0.439 335 K N -0.034 120.461 120.400 0.159 0.000 2.464 335 K HA 0.257 4.578 4.320 0.001 0.000 0.206 335 K C 0.007 176.700 176.600 0.156 0.000 1.186 335 K CA 0.171 56.565 56.287 0.178 0.000 0.990 335 K CB 1.109 33.664 32.500 0.092 0.000 1.003 335 K HN 0.116 nan 8.250 nan 0.000 0.562 336 K N 1.171 121.563 120.400 -0.015 0.000 2.371 336 K HA 0.223 4.544 4.320 0.001 0.000 0.251 336 K C -2.227 174.050 176.600 -0.539 0.000 0.934 336 K CA -1.938 54.207 56.287 -0.237 0.000 0.798 336 K CB 2.297 34.720 32.500 -0.129 0.000 1.204 336 K HN -0.299 nan 8.250 nan 0.000 0.427 337 P HA -0.103 nan 4.420 nan 0.000 0.228 337 P C -0.517 176.596 177.300 -0.313 0.000 1.151 337 P CA 0.845 63.471 63.100 -0.790 0.000 0.770 337 P CB 0.384 31.737 31.700 -0.579 0.000 0.786 338 R N 0.373 120.738 120.500 -0.226 0.000 2.513 338 R HA 0.424 4.764 4.340 0.001 0.000 0.301 338 R C -2.508 173.742 176.300 -0.083 0.000 0.968 338 R CA -2.271 53.758 56.100 -0.119 0.000 0.872 338 R CB 1.737 31.983 30.300 -0.091 0.000 1.177 338 R HN 0.004 nan 8.270 nan 0.000 0.444 339 P HA 0.033 nan 4.420 nan 0.000 0.274 339 P C 0.028 177.312 177.300 -0.026 0.000 1.256 339 P CA -0.370 62.712 63.100 -0.030 0.000 0.795 339 P CB 0.651 32.342 31.700 -0.016 0.000 1.038 340 T N -0.543 114.000 114.554 -0.018 0.000 2.885 340 T HA 0.183 4.534 4.350 0.001 0.000 0.356 340 T C 1.296 175.986 174.700 -0.017 0.000 1.137 340 T CA -0.123 61.967 62.100 -0.017 0.000 1.014 340 T CB 0.183 69.044 68.868 -0.012 0.000 1.410 340 T HN 0.165 nan 8.240 nan 0.000 0.532 341 R N -0.465 120.025 120.500 -0.017 0.000 2.225 341 R HA 0.430 4.770 4.340 0.001 0.000 0.194 341 R C 2.521 178.810 176.300 -0.019 0.000 0.957 341 R CA 0.960 57.049 56.100 -0.019 0.000 1.042 341 R CB -1.500 28.788 30.300 -0.020 0.000 1.004 341 R HN 0.758 nan 8.270 nan 0.000 0.509 342 A N 0.936 123.746 122.820 -0.017 0.000 1.968 342 A HA -0.099 4.222 4.320 0.001 0.000 0.217 342 A C 1.931 179.508 177.584 -0.013 0.000 1.169 342 A CA 1.193 53.220 52.037 -0.018 0.000 0.638 342 A CB -0.157 18.833 19.000 -0.016 0.000 0.812 342 A HN 0.267 nan 8.150 nan 0.000 0.446 343 E N -0.557 119.638 120.200 -0.009 0.000 2.028 343 E HA -0.054 4.296 4.350 0.001 0.000 0.191 343 E C 2.172 178.771 176.600 -0.003 0.000 0.988 343 E CA 0.850 57.248 56.400 -0.003 0.000 0.799 343 E CB -0.398 29.301 29.700 -0.001 0.000 0.755 343 E HN 0.559 nan 8.360 nan 0.000 0.447 344 G N 0.318 109.114 108.800 -0.006 0.000 2.469 344 G HA2 -0.307 3.654 3.960 0.001 0.000 0.220 344 G HA3 -0.307 3.654 3.960 0.001 0.000 0.220 344 G C 1.672 176.567 174.900 -0.008 0.000 1.136 344 G CA 1.093 46.189 45.100 -0.006 0.000 0.759 344 G HN 0.160 nan 8.290 nan 0.000 0.562 345 S N 0.447 116.139 115.700 -0.013 0.000 2.363 345 S HA -0.154 4.316 4.470 0.001 0.000 0.218 345 S C 2.055 176.650 174.600 -0.009 0.000 1.035 345 S CA 1.433 59.624 58.200 -0.016 0.000 1.043 345 S CB -0.490 62.695 63.200 -0.025 0.000 0.986 345 S HN 0.450 nan 8.310 nan 0.000 0.423 346 D N 0.801 121.197 120.400 -0.007 0.000 2.192 346 D HA -0.142 4.498 4.640 0.001 0.000 0.189 346 D C 1.847 178.150 176.300 0.004 0.000 1.007 346 D CA 1.427 55.426 54.000 -0.000 0.000 0.859 346 D CB -0.513 40.289 40.800 0.003 0.000 0.936 346 D HN 0.175 nan 8.370 nan 0.000 0.447 347 V N 0.655 120.572 119.914 0.005 0.000 2.237 347 V HA -0.245 3.875 4.120 0.001 0.000 0.245 347 V C 2.585 178.683 176.094 0.007 0.000 1.046 347 V CA 2.145 64.449 62.300 0.008 0.000 1.007 347 V CB -1.065 30.764 31.823 0.011 0.000 0.638 347 V HN 0.349 nan 8.190 nan 0.000 0.445 348 A N 0.130 122.953 122.820 0.005 0.000 1.917 348 A HA -0.327 3.994 4.320 0.001 0.000 0.219 348 A C 1.987 179.578 177.584 0.012 0.000 1.182 348 A CA 2.609 54.650 52.037 0.006 0.000 0.633 348 A CB -1.004 17.996 19.000 0.000 0.000 0.819 348 A HN 0.722 nan 8.150 nan 0.000 0.448 349 N N -0.323 118.382 118.700 0.009 0.000 2.309 349 N HA 0.035 4.775 4.740 0.001 0.000 0.182 349 N C 1.792 177.313 175.510 0.018 0.000 1.018 349 N CA 0.927 53.987 53.050 0.016 0.000 0.876 349 N CB -0.202 38.291 38.487 0.010 0.000 0.972 349 N HN 0.518 nan 8.380 nan 0.000 0.434 350 A N 0.329 123.156 122.820 0.011 0.000 1.929 350 A HA -0.025 4.295 4.320 0.001 0.000 0.216 350 A C 2.269 179.857 177.584 0.006 0.000 1.176 350 A CA 0.829 52.870 52.037 0.006 0.000 0.628 350 A CB -0.495 18.506 19.000 0.000 0.000 0.816 350 A HN 0.086 nan 8.150 nan 0.000 0.444 351 V N -0.199 119.722 119.914 0.011 0.000 2.343 351 V HA -0.195 3.925 4.120 0.001 0.000 0.247 351 V C 2.448 178.554 176.094 0.020 0.000 1.051 351 V CA 1.623 63.932 62.300 0.016 0.000 1.036 351 V CB -0.653 31.182 31.823 0.020 0.000 0.654 351 V HN 0.459 nan 8.190 nan 0.000 0.451 352 L N -0.009 121.229 121.223 0.025 0.000 2.093 352 L HA -0.100 4.240 4.340 0.001 0.000 0.208 352 L C 2.099 178.983 176.870 0.023 0.000 1.085 352 L CA 1.709 56.570 54.840 0.034 0.000 0.755 352 L CB -1.268 40.825 42.059 0.057 0.000 0.904 352 L HN 0.335 nan 8.230 nan 0.000 0.435 353 D N 0.061 120.472 120.400 0.018 0.000 2.221 353 D HA -0.016 4.625 4.640 0.001 0.000 0.204 353 D C 1.408 177.700 176.300 -0.013 0.000 0.982 353 D CA 1.251 55.255 54.000 0.006 0.000 0.857 353 D CB -0.070 40.733 40.800 0.006 0.000 0.934 353 D HN 0.391 nan 8.370 nan 0.000 0.475 354 G N -0.381 108.413 108.800 -0.010 0.000 2.427 354 G HA2 0.069 4.030 3.960 0.001 0.000 0.193 354 G HA3 0.069 4.030 3.960 0.001 0.000 0.193 354 G C -0.070 174.816 174.900 -0.024 0.000 1.086 354 G CA -0.081 45.010 45.100 -0.015 0.000 0.818 354 G HN 0.520 nan 8.290 nan 0.000 0.490 355 A N -0.129 122.679 122.820 -0.021 0.000 2.305 355 A HA 0.722 5.043 4.320 0.001 0.000 0.322 355 A C 1.043 178.608 177.584 -0.032 0.000 1.187 355 A CA 0.145 52.160 52.037 -0.037 0.000 0.825 355 A CB 0.679 19.657 19.000 -0.036 0.000 1.164 355 A HN 0.219 nan 8.150 nan 0.000 0.498 356 D N 0.511 120.876 120.400 -0.058 0.000 2.144 356 D HA -0.046 4.594 4.640 0.001 0.000 0.200 356 D C 0.315 176.595 176.300 -0.033 0.000 0.978 356 D CA 1.571 55.538 54.000 -0.055 0.000 0.833 356 D CB 0.012 40.733 40.800 -0.132 0.000 0.961 356 D HN 0.658 nan 8.370 nan 0.000 0.470 357 C N 0.743 120.014 119.300 -0.048 0.000 2.994 357 C HA 0.684 5.144 4.460 0.001 0.000 0.305 357 C C 0.037 175.012 174.990 -0.024 0.000 1.251 357 C CA -1.420 57.584 59.018 -0.023 0.000 1.478 357 C CB 1.432 29.166 27.740 -0.011 0.000 1.922 357 C HN 0.153 nan 8.230 nan 0.000 0.472 358 I N -0.241 120.328 120.570 -0.002 0.000 2.750 358 I HA 0.807 4.978 4.170 0.001 0.000 0.308 358 I C -0.591 175.532 176.117 0.011 0.000 1.016 358 I CA -0.846 60.454 61.300 0.000 0.000 1.098 358 I CB 1.649 39.656 38.000 0.012 0.000 1.279 358 I HN 0.775 nan 8.210 nan 0.000 0.454 359 M N 3.658 123.266 119.600 0.013 0.000 2.619 359 M HA 0.636 5.116 4.480 0.001 0.000 0.297 359 M C -2.045 174.278 176.300 0.038 0.000 1.229 359 M CA -0.751 54.568 55.300 0.031 0.000 0.860 359 M CB 2.927 35.543 32.600 0.028 0.000 1.741 359 M HN 0.588 nan 8.290 nan 0.000 0.462 360 L N 1.528 122.782 121.223 0.051 0.000 2.406 360 L HA 0.473 4.814 4.340 0.001 0.000 0.272 360 L C -0.225 176.685 176.870 0.066 0.000 0.980 360 L CA -0.324 54.548 54.840 0.054 0.000 0.831 360 L CB 2.099 44.190 42.059 0.054 0.000 1.253 360 L HN 0.764 nan 8.230 nan 0.000 0.406 361 S N 1.391 117.132 115.700 0.067 0.000 2.661 361 S HA 0.112 4.583 4.470 0.001 0.000 0.162 361 S C 1.725 176.373 174.600 0.081 0.000 0.788 361 S CA 0.479 58.728 58.200 0.081 0.000 1.003 361 S CB -0.347 62.902 63.200 0.080 0.000 0.713 361 S HN 0.854 nan 8.310 nan 0.000 0.519 362 G N 1.329 110.175 108.800 0.077 0.000 2.450 362 G HA2 -0.212 3.748 3.960 0.001 0.000 0.220 362 G HA3 -0.212 3.748 3.960 0.001 0.000 0.220 362 G C 1.015 175.957 174.900 0.069 0.000 1.130 362 G CA 1.126 46.270 45.100 0.073 0.000 0.760 362 G HN 0.564 nan 8.290 nan 0.000 0.557 363 E N 0.006 120.247 120.200 0.069 0.000 2.233 363 E HA -0.138 4.213 4.350 0.001 0.000 0.199 363 E C 2.527 179.173 176.600 0.076 0.000 1.004 363 E CA 1.744 58.189 56.400 0.074 0.000 0.819 363 E CB -0.179 29.562 29.700 0.068 0.000 0.738 363 E HN 0.653 nan 8.360 nan 0.000 0.478 364 T N -4.204 110.391 114.554 0.068 0.000 2.959 364 T HA 0.477 4.828 4.350 0.001 0.000 0.254 364 T C 1.717 176.453 174.700 0.060 0.000 1.003 364 T CA 0.116 62.253 62.100 0.061 0.000 0.950 364 T CB 0.411 69.314 68.868 0.057 0.000 1.090 364 T HN 0.133 nan 8.240 nan 0.000 0.503 365 A N 2.890 125.751 122.820 0.069 0.000 1.861 365 A HA 0.236 4.557 4.320 0.001 0.000 0.212 365 A C 2.168 179.788 177.584 0.060 0.000 1.199 365 A CA 0.969 53.052 52.037 0.077 0.000 0.613 365 A CB -0.115 18.943 19.000 0.097 0.000 0.846 365 A HN 0.557 nan 8.150 nan 0.000 0.446 366 K N -0.705 119.725 120.400 0.050 0.000 2.367 366 K HA 0.283 4.604 4.320 0.001 0.000 0.198 366 K C 1.216 177.830 176.600 0.024 0.000 1.132 366 K CA 0.260 56.566 56.287 0.032 0.000 0.941 366 K CB -0.472 32.044 32.500 0.026 0.000 1.052 366 K HN 0.325 nan 8.250 nan 0.000 0.507 367 G N 2.235 111.061 108.800 0.042 0.000 2.852 367 G HA2 -0.168 3.792 3.960 0.001 0.000 0.228 367 G HA3 -0.168 3.792 3.960 0.001 0.000 0.228 367 G C -0.228 174.676 174.900 0.007 0.000 1.227 367 G CA 0.206 45.341 45.100 0.059 0.000 0.854 367 G HN 0.203 nan 8.290 nan 0.000 0.573 368 D N -0.347 120.049 120.400 -0.008 0.000 2.360 368 D HA 0.060 4.700 4.640 0.001 0.000 0.210 368 D C 0.129 176.050 176.300 -0.631 0.000 1.047 368 D CA 0.776 54.601 54.000 -0.291 0.000 0.854 368 D CB 0.366 40.962 40.800 -0.340 0.000 0.936 368 D HN 0.500 nan 8.370 nan 0.000 0.514 369 Y N -0.089 120.222 120.300 0.018 0.000 2.577 369 Y HA 0.215 4.766 4.550 0.001 0.000 0.307 369 Y C -1.633 174.279 175.900 0.020 0.000 0.940 369 Y CA -1.768 56.342 58.100 0.018 0.000 1.132 369 Y CB 0.990 39.461 38.460 0.017 0.000 1.184 369 Y HN -0.105 nan 8.280 nan 0.000 0.611 370 P HA -0.229 nan 4.420 nan 0.000 0.214 370 P C 1.511 178.857 177.300 0.075 0.000 1.163 370 P CA 1.673 64.818 63.100 0.075 0.000 0.889 370 P CB 0.540 32.262 31.700 0.037 0.000 0.790 371 L N -0.946 120.317 121.223 0.066 0.000 2.083 371 L HA -0.150 4.191 4.340 0.001 0.000 0.209 371 L C 2.586 179.500 176.870 0.073 0.000 1.083 371 L CA 1.579 56.453 54.840 0.057 0.000 0.752 371 L CB -1.006 41.080 42.059 0.045 0.000 0.899 371 L HN -0.045 nan 8.230 nan 0.000 0.433 372 E N 0.399 120.670 120.200 0.117 0.000 2.110 372 E HA -0.173 4.178 4.350 0.001 0.000 0.193 372 E C 2.286 178.934 176.600 0.080 0.000 0.988 372 E CA 1.270 57.735 56.400 0.108 0.000 0.804 372 E CB -0.266 29.518 29.700 0.140 0.000 0.745 372 E HN 0.436 nan 8.360 nan 0.000 0.458 373 A N 0.395 123.269 122.820 0.090 0.000 1.908 373 A HA -0.183 4.137 4.320 0.001 0.000 0.218 373 A C 2.420 180.041 177.584 0.062 0.000 1.181 373 A CA 1.595 53.674 52.037 0.071 0.000 0.627 373 A CB -0.679 18.368 19.000 0.078 0.000 0.818 373 A HN 0.157 nan 8.150 nan 0.000 0.445 374 V N -0.387 119.562 119.914 0.058 0.000 2.283 374 V HA -0.226 3.895 4.120 0.001 0.000 0.243 374 V C 2.558 178.695 176.094 0.072 0.000 1.039 374 V CA 2.185 64.516 62.300 0.052 0.000 1.016 374 V CB -0.896 30.942 31.823 0.025 0.000 0.650 374 V HN 0.475 nan 8.190 nan 0.000 0.449 375 R N -0.552 119.982 120.500 0.056 0.000 2.139 375 R HA -0.202 4.139 4.340 0.001 0.000 0.243 375 R C 2.142 178.523 176.300 0.135 0.000 1.145 375 R CA 1.925 58.075 56.100 0.083 0.000 0.976 375 R CB -0.626 29.709 30.300 0.058 0.000 0.866 375 R HN 0.446 nan 8.270 nan 0.000 0.449 376 M N 0.443 120.097 119.600 0.090 0.000 2.064 376 M HA -0.169 4.311 4.480 0.001 0.000 0.260 376 M C 2.001 178.348 176.300 0.078 0.000 1.073 376 M CA 1.774 57.117 55.300 0.072 0.000 1.124 376 M CB -0.149 32.477 32.600 0.043 0.000 1.326 376 M HN 0.067 nan 8.290 nan 0.000 0.410 377 Q N -1.471 118.377 119.800 0.080 0.000 2.152 377 Q HA -0.287 4.054 4.340 0.001 0.000 0.206 377 Q C 2.060 178.120 176.000 0.100 0.000 0.985 377 Q CA 2.101 57.948 55.803 0.074 0.000 0.863 377 Q CB -0.399 28.380 28.738 0.068 0.000 0.904 377 Q HN 0.715 nan 8.270 nan 0.000 0.422 378 H N -0.218 118.866 119.070 0.024 0.000 2.357 378 H HA -0.114 4.443 4.556 0.001 0.000 0.301 378 H C 1.794 177.139 175.328 0.028 0.000 1.082 378 H CA 1.080 57.145 56.048 0.028 0.000 1.342 378 H CB -0.031 29.749 29.762 0.031 0.000 1.389 378 H HN 0.098 nan 8.280 nan 0.000 0.511 379 L N 0.806 122.057 121.223 0.046 0.000 1.970 379 L HA -0.180 4.160 4.340 0.001 0.000 0.212 379 L C 2.440 179.275 176.870 -0.059 0.000 1.071 379 L CA 1.731 56.561 54.840 -0.016 0.000 0.751 379 L CB -1.140 40.949 42.059 0.051 0.000 0.889 379 L HN 0.483 nan 8.230 nan 0.000 0.432 380 I N -0.878 119.680 120.570 -0.020 0.000 2.163 380 I HA -0.335 3.835 4.170 0.001 0.000 0.243 380 I C 2.609 178.707 176.117 -0.031 0.000 1.085 380 I CA 1.300 62.589 61.300 -0.018 0.000 1.347 380 I CB -0.827 37.173 38.000 0.001 0.000 1.044 380 I HN 0.265 nan 8.210 nan 0.000 0.408 381 A N 1.310 124.107 122.820 -0.038 0.000 1.903 381 A HA -0.248 4.073 4.320 0.001 0.000 0.219 381 A C 2.443 179.992 177.584 -0.057 0.000 1.191 381 A CA 1.863 53.878 52.037 -0.037 0.000 0.638 381 A CB -0.694 18.289 19.000 -0.029 0.000 0.823 381 A HN 0.379 nan 8.150 nan 0.000 0.451 382 R N -1.083 119.344 120.500 -0.122 0.000 2.092 382 R HA -0.121 4.219 4.340 0.001 0.000 0.231 382 R C 2.157 178.435 176.300 -0.036 0.000 1.119 382 R CA 1.398 57.440 56.100 -0.097 0.000 0.970 382 R CB -0.299 29.910 30.300 -0.152 0.000 0.864 382 R HN 0.576 nan 8.270 nan 0.000 0.440 383 E N 1.082 121.261 120.200 -0.034 0.000 2.017 383 E HA -0.110 4.241 4.350 0.001 0.000 0.193 383 E C 1.949 178.554 176.600 0.008 0.000 0.997 383 E CA 1.693 58.086 56.400 -0.011 0.000 0.804 383 E CB -0.296 29.394 29.700 -0.017 0.000 0.757 383 E HN 0.283 nan 8.360 nan 0.000 0.448 384 A N 0.689 123.513 122.820 0.006 0.000 1.908 384 A HA -0.266 4.055 4.320 0.001 0.000 0.218 384 A C 2.072 179.683 177.584 0.045 0.000 1.181 384 A CA 1.996 54.047 52.037 0.022 0.000 0.627 384 A CB -0.750 18.261 19.000 0.018 0.000 0.818 384 A HN 0.342 nan 8.150 nan 0.000 0.445 385 E N -0.529 119.699 120.200 0.046 0.000 2.114 385 E HA -0.219 4.132 4.350 0.001 0.000 0.199 385 E C 2.150 178.835 176.600 0.143 0.000 1.008 385 E CA 1.341 57.792 56.400 0.084 0.000 0.810 385 E CB -0.276 29.463 29.700 0.065 0.000 0.739 385 E HN 0.651 nan 8.360 nan 0.000 0.456 386 A N 0.534 123.423 122.820 0.116 0.000 2.067 386 A HA 0.154 4.475 4.320 0.001 0.000 0.217 386 A C 2.069 179.747 177.584 0.157 0.000 1.156 386 A CA 0.973 53.105 52.037 0.158 0.000 0.683 386 A CB -0.022 19.034 19.000 0.093 0.000 0.808 386 A HN 0.244 nan 8.150 nan 0.000 0.455 387 A N -0.669 122.213 122.820 0.103 0.000 2.259 387 A HA 0.463 4.784 4.320 0.001 0.000 0.208 387 A C 0.915 178.590 177.584 0.151 0.000 1.201 387 A CA -0.150 51.949 52.037 0.104 0.000 0.824 387 A CB -0.547 18.478 19.000 0.041 0.000 0.838 387 A HN 0.545 nan 8.150 nan 0.000 0.485 388 M N -1.492 118.133 119.600 0.041 0.000 2.197 388 M HA 0.315 4.795 4.480 0.001 0.000 0.305 388 M C -0.214 175.959 176.300 -0.211 0.000 1.162 388 M CA -0.209 55.026 55.300 -0.108 0.000 1.099 388 M CB 0.426 32.839 32.600 -0.312 0.000 1.430 388 M HN 0.219 nan 8.290 nan 0.000 0.481 389 F N 2.033 121.699 119.950 -0.474 0.000 2.359 389 F HA 0.280 4.807 4.527 0.001 0.000 0.355 389 F C 1.140 176.656 175.800 -0.473 0.000 1.132 389 F CA -0.886 56.750 58.000 -0.606 0.000 1.246 389 F CB -0.684 37.924 39.000 -0.653 0.000 1.569 389 F HN 0.560 nan 8.300 nan 0.000 0.561 390 H N 2.646 121.705 119.070 -0.018 0.000 2.265 390 H HA -0.232 4.325 4.556 0.001 0.000 0.295 390 H C 2.283 177.447 175.328 -0.273 0.000 1.084 390 H CA 1.963 57.901 56.048 -0.184 0.000 1.261 390 H CB -0.077 29.463 29.762 -0.369 0.000 1.360 390 H HN 0.471 nan 8.280 nan 0.000 0.487 391 R N 1.079 121.391 120.500 -0.313 0.000 2.136 391 R HA -0.211 4.130 4.340 0.001 0.000 0.242 391 R C 2.491 178.620 176.300 -0.286 0.000 1.131 391 R CA 2.267 58.178 56.100 -0.315 0.000 0.937 391 R CB -0.130 29.973 30.300 -0.328 0.000 0.863 391 R HN 0.169 nan 8.270 nan 0.000 0.435 392 K N -0.131 119.868 120.400 -0.670 0.000 2.097 392 K HA -0.139 4.181 4.320 0.001 0.000 0.205 392 K C 1.992 178.430 176.600 -0.269 0.000 1.050 392 K CA 1.032 56.994 56.287 -0.543 0.000 0.938 392 K CB -0.194 31.816 32.500 -0.818 0.000 0.718 392 K HN 0.082 nan 8.250 nan 0.000 0.442 393 L N 0.305 121.395 121.223 -0.222 0.000 2.017 393 L HA -0.103 4.237 4.340 0.001 0.000 0.208 393 L C 1.852 178.750 176.870 0.046 0.000 1.073 393 L CA 1.645 56.437 54.840 -0.080 0.000 0.745 393 L CB -0.774 41.260 42.059 -0.042 0.000 0.894 393 L HN 0.199 nan 8.230 nan 0.000 0.432 394 F N 0.731 120.694 119.950 0.021 0.000 2.095 394 F HA -0.250 4.278 4.527 0.001 0.000 0.298 394 F C 2.332 178.186 175.800 0.091 0.000 1.104 394 F CA 2.176 60.268 58.000 0.153 0.000 1.232 394 F CB -0.231 38.942 39.000 0.288 0.000 0.987 394 F HN 0.248 nan 8.300 nan 0.000 0.475 395 E N -0.018 120.294 120.200 0.186 0.000 2.058 395 E HA -0.249 4.102 4.350 0.001 0.000 0.194 395 E C 2.162 178.730 176.600 -0.053 0.000 0.997 395 E CA 1.719 58.154 56.400 0.058 0.000 0.801 395 E CB -0.328 29.389 29.700 0.028 0.000 0.746 395 E HN 0.586 nan 8.360 nan 0.000 0.450 396 E N 0.366 120.529 120.200 -0.062 0.000 2.051 396 E HA -0.205 4.146 4.350 0.001 0.000 0.192 396 E C 2.140 178.700 176.600 -0.066 0.000 0.991 396 E CA 0.685 57.043 56.400 -0.069 0.000 0.799 396 E CB -0.060 29.587 29.700 -0.087 0.000 0.748 396 E HN 0.097 nan 8.360 nan 0.000 0.449 397 L N 1.066 122.241 121.223 -0.079 0.000 1.970 397 L HA -0.200 4.140 4.340 0.001 0.000 0.212 397 L C 2.445 179.288 176.870 -0.046 0.000 1.071 397 L CA 2.026 56.818 54.840 -0.081 0.000 0.751 397 L CB -1.417 40.582 42.059 -0.100 0.000 0.889 397 L HN 0.057 nan 8.230 nan 0.000 0.432 398 A N -0.773 121.977 122.820 -0.117 0.000 1.884 398 A HA -0.274 4.046 4.320 0.001 0.000 0.219 398 A C 2.437 179.994 177.584 -0.046 0.000 1.197 398 A CA 2.005 53.968 52.037 -0.122 0.000 0.637 398 A CB -0.570 18.249 19.000 -0.301 0.000 0.827 398 A HN 0.394 nan 8.150 nan 0.000 0.450 399 R N -0.167 120.308 120.500 -0.041 0.000 2.096 399 R HA -0.124 4.216 4.340 0.001 0.000 0.235 399 R C 2.683 178.995 176.300 0.020 0.000 1.127 399 R CA 1.651 57.745 56.100 -0.009 0.000 0.968 399 R CB -0.595 29.696 30.300 -0.016 0.000 0.861 399 R HN 0.780 nan 8.270 nan 0.000 0.440 400 S N 0.507 116.214 115.700 0.011 0.000 2.399 400 S HA -0.110 4.361 4.470 0.001 0.000 0.231 400 S C 1.595 176.266 174.600 0.118 0.000 1.022 400 S CA 1.403 59.625 58.200 0.036 0.000 0.983 400 S CB -0.123 63.081 63.200 0.007 0.000 0.803 400 S HN 0.292 nan 8.310 nan 0.000 0.480 401 S N 0.075 115.830 115.700 0.091 0.000 2.484 401 S HA 0.456 4.926 4.470 0.001 0.000 0.242 401 S C 0.943 175.536 174.600 -0.011 0.000 1.158 401 S CA -0.250 57.989 58.200 0.065 0.000 1.162 401 S CB 0.196 63.407 63.200 0.019 0.000 0.850 401 S HN 0.287 nan 8.310 nan 0.000 0.477 402 S N 2.273 118.048 115.700 0.124 0.000 2.368 402 S HA -0.114 4.356 4.470 0.001 0.000 0.224 402 S C 1.593 176.233 174.600 0.067 0.000 1.029 402 S CA 1.759 60.006 58.200 0.078 0.000 0.988 402 S CB -0.496 62.758 63.200 0.089 0.000 0.838 402 S HN 1.051 nan 8.310 nan 0.000 0.462 403 H N 0.113 119.177 119.070 -0.011 0.000 2.521 403 H HA 0.208 4.765 4.556 0.001 0.000 0.286 403 H C 0.966 176.289 175.328 -0.010 0.000 1.034 403 H CA 0.792 56.834 56.048 -0.009 0.000 1.278 403 H CB -0.141 29.616 29.762 -0.007 0.000 1.386 403 H HN 0.248 nan 8.280 nan 0.000 0.567 404 S N 0.885 116.334 115.700 -0.417 0.000 2.480 404 S HA 0.170 4.641 4.470 0.001 0.000 0.286 404 S C 0.967 175.475 174.600 -0.153 0.000 1.180 404 S CA -0.224 57.802 58.200 -0.290 0.000 1.075 404 S CB 1.447 64.439 63.200 -0.348 0.000 0.996 404 S HN 0.462 nan 8.310 nan 0.000 0.487 405 T N 0.177 114.667 114.554 -0.107 0.000 3.092 405 T HA 0.218 4.568 4.350 0.001 0.000 0.258 405 T C 0.108 174.748 174.700 -0.101 0.000 1.031 405 T CA -0.410 61.638 62.100 -0.087 0.000 0.925 405 T CB -0.522 68.311 68.868 -0.059 0.000 1.036 405 T HN 0.648 nan 8.240 nan 0.000 0.544 406 D N 1.455 121.788 120.400 -0.113 0.000 2.629 406 D HA -0.021 4.620 4.640 0.001 0.000 0.228 406 D C 1.201 177.383 176.300 -0.198 0.000 1.127 406 D CA 0.227 54.145 54.000 -0.138 0.000 0.855 406 D CB 0.494 41.223 40.800 -0.118 0.000 1.180 406 D HN 0.189 nan 8.370 nan 0.000 0.484 407 L N 2.880 123.925 121.223 -0.296 0.000 2.313 407 L HA -0.069 4.271 4.340 0.001 0.000 0.214 407 L C 1.975 178.463 176.870 -0.638 0.000 1.119 407 L CA 0.347 54.920 54.840 -0.445 0.000 0.809 407 L CB -0.373 41.378 42.059 -0.513 0.000 0.933 407 L HN 0.553 nan 8.230 nan 0.000 0.449 408 M N 0.183 119.426 119.600 -0.595 0.000 2.287 408 M HA -0.058 4.423 4.480 0.001 0.000 0.266 408 M C 2.039 178.231 176.300 -0.180 0.000 1.079 408 M CA 1.569 56.605 55.300 -0.440 0.000 1.146 408 M CB -0.166 32.263 32.600 -0.284 0.000 1.374 408 M HN 0.082 nan 8.290 nan 0.000 0.435 409 E N 0.222 120.348 120.200 -0.123 0.000 2.017 409 E HA -0.191 4.160 4.350 0.001 0.000 0.193 409 E C 2.050 178.564 176.600 -0.143 0.000 0.997 409 E CA 1.431 57.815 56.400 -0.027 0.000 0.804 409 E CB -0.566 29.123 29.700 -0.017 0.000 0.757 409 E HN 0.617 nan 8.360 nan 0.000 0.448 410 A N 1.246 123.964 122.820 -0.169 0.000 1.940 410 A HA -0.279 4.041 4.320 0.001 0.000 0.221 410 A C 2.154 179.653 177.584 -0.142 0.000 1.190 410 A CA 2.242 54.180 52.037 -0.165 0.000 0.647 410 A CB -0.500 18.407 19.000 -0.153 0.000 0.821 410 A HN 0.185 nan 8.150 nan 0.000 0.457 411 M N -0.708 118.809 119.600 -0.138 0.000 2.156 411 M HA 0.120 4.601 4.480 0.001 0.000 0.264 411 M C 2.239 178.509 176.300 -0.050 0.000 1.067 411 M CA 1.400 56.657 55.300 -0.072 0.000 1.131 411 M CB -0.567 32.006 32.600 -0.045 0.000 1.368 411 M HN 0.410 nan 8.290 nan 0.000 0.416 412 A N 0.106 122.896 122.820 -0.049 0.000 1.851 412 A HA -0.237 4.083 4.320 0.001 0.000 0.216 412 A C 2.187 179.724 177.584 -0.078 0.000 1.195 412 A CA 2.277 54.318 52.037 0.006 0.000 0.622 412 A CB -0.811 18.277 19.000 0.147 0.000 0.831 412 A HN 0.558 nan 8.150 nan 0.000 0.444 413 M N -0.609 118.809 119.600 -0.302 0.000 2.089 413 M HA -0.192 4.288 4.480 0.001 0.000 0.257 413 M C 2.279 178.551 176.300 -0.046 0.000 1.071 413 M CA 1.685 56.825 55.300 -0.267 0.000 1.096 413 M CB -0.817 31.552 32.600 -0.385 0.000 1.330 413 M HN 0.548 nan 8.290 nan 0.000 0.403 414 G N -0.175 108.577 108.800 -0.081 0.000 2.418 414 G HA2 -0.190 3.771 3.960 0.001 0.000 0.217 414 G HA3 -0.190 3.771 3.960 0.001 0.000 0.217 414 G C 1.575 176.413 174.900 -0.103 0.000 1.158 414 G CA 1.176 46.230 45.100 -0.077 0.000 0.771 414 G HN 0.555 nan 8.290 nan 0.000 0.545 415 S N 0.586 116.236 115.700 -0.084 0.000 2.368 415 S HA -0.095 4.375 4.470 0.001 0.000 0.224 415 S C 2.373 176.874 174.600 -0.165 0.000 1.029 415 S CA 1.175 59.323 58.200 -0.087 0.000 0.988 415 S CB -0.494 62.684 63.200 -0.037 0.000 0.838 415 S HN 0.159 nan 8.310 nan 0.000 0.462 416 V N 2.417 122.219 119.914 -0.187 0.000 2.255 416 V HA -0.212 3.909 4.120 0.001 0.000 0.247 416 V C 2.710 178.353 176.094 -0.753 0.000 1.051 416 V CA 2.264 64.320 62.300 -0.407 0.000 1.018 416 V CB -0.937 30.772 31.823 -0.189 0.000 0.641 416 V HN 0.482 nan 8.190 nan 0.000 0.445 417 E N 0.581 120.419 120.200 -0.604 0.000 2.160 417 E HA -0.211 4.139 4.350 0.001 0.000 0.195 417 E C 2.043 178.468 176.600 -0.292 0.000 0.991 417 E CA 1.542 57.618 56.400 -0.540 0.000 0.810 417 E CB -0.373 29.104 29.700 -0.371 0.000 0.742 417 E HN 0.575 nan 8.360 nan 0.000 0.466 418 A N -0.028 122.659 122.820 -0.221 0.000 2.066 418 A HA -0.092 4.228 4.320 0.001 0.000 0.218 418 A C 2.252 179.766 177.584 -0.118 0.000 1.157 418 A CA 1.456 53.414 52.037 -0.131 0.000 0.670 418 A CB -0.505 18.436 19.000 -0.098 0.000 0.804 418 A HN 0.399 nan 8.150 nan 0.000 0.453 419 S N -1.619 113.970 115.700 -0.184 0.000 2.425 419 S HA -0.064 4.407 4.470 0.001 0.000 0.225 419 S C 1.822 176.403 174.600 -0.033 0.000 1.024 419 S CA 0.781 58.907 58.200 -0.124 0.000 0.951 419 S CB -0.654 62.452 63.200 -0.156 0.000 0.796 419 S HN 0.448 nan 8.310 nan 0.000 0.498 420 Y N 2.504 122.733 120.300 -0.118 0.000 2.133 420 Y HA 0.109 4.659 4.550 0.001 0.000 0.287 420 Y C 2.645 178.496 175.900 -0.082 0.000 1.134 420 Y CA 0.925 58.955 58.100 -0.118 0.000 1.133 420 Y CB -1.139 37.220 38.460 -0.168 0.000 0.987 420 Y HN 0.277 nan 8.280 nan 0.000 0.502 421 K N 0.871 121.319 120.400 0.081 0.000 2.020 421 K HA -0.193 4.128 4.320 0.001 0.000 0.212 421 K C 2.031 178.643 176.600 0.019 0.000 1.050 421 K CA 2.280 58.585 56.287 0.030 0.000 0.929 421 K CB -0.884 31.614 32.500 -0.003 0.000 0.714 421 K HN 0.489 nan 8.250 nan 0.000 0.443 422 C N -0.278 119.024 119.300 0.005 0.000 2.697 422 C HA 0.449 4.910 4.460 0.001 0.000 0.267 422 C C 0.706 175.703 174.990 0.011 0.000 1.278 422 C CA -0.619 58.400 59.018 0.002 0.000 1.708 422 C CB -1.283 26.450 27.740 -0.011 0.000 1.860 422 C HN 0.535 nan 8.230 nan 0.000 0.589 423 L N 0.079 121.316 121.223 0.024 0.000 3.548 423 L HA -0.203 4.137 4.340 0.001 0.000 0.443 423 L C 1.030 177.913 176.870 0.022 0.000 1.286 423 L CA 0.239 55.098 54.840 0.033 0.000 0.863 423 L CB -2.435 39.644 42.059 0.034 0.000 1.734 423 L HN 0.677 nan 8.230 nan 0.000 0.873 424 A N -0.017 122.807 122.820 0.006 0.000 2.547 424 A HA 0.441 4.762 4.320 0.001 0.000 0.233 424 A C 1.421 179.019 177.584 0.024 0.000 1.067 424 A CA 0.870 52.904 52.037 -0.005 0.000 0.763 424 A CB 0.565 19.548 19.000 -0.028 0.000 1.007 424 A HN 0.717 nan 8.150 nan 0.000 0.506 425 A N 1.116 123.961 122.820 0.041 0.000 2.072 425 A HA 0.531 4.851 4.320 0.001 0.000 0.216 425 A C 1.013 178.699 177.584 0.171 0.000 1.156 425 A CA 1.525 53.640 52.037 0.129 0.000 0.701 425 A CB -0.363 18.773 19.000 0.226 0.000 0.816 425 A HN 2.525 nan 8.150 nan 0.000 0.458 426 A N -1.643 121.240 122.820 0.105 0.000 2.586 426 A HA 0.551 4.871 4.320 0.001 0.000 0.296 426 A C -1.567 176.042 177.584 0.042 0.000 1.040 426 A CA -0.607 51.502 52.037 0.119 0.000 0.701 426 A CB 0.102 19.283 19.000 0.301 0.000 1.277 426 A HN 0.241 nan 8.150 nan 0.000 0.413 427 L N 1.818 123.072 121.223 0.051 0.000 2.289 427 L HA 0.627 4.968 4.340 0.001 0.000 0.285 427 L C -0.389 176.518 176.870 0.062 0.000 1.049 427 L CA -0.022 54.838 54.840 0.033 0.000 0.804 427 L CB 1.323 43.400 42.059 0.030 0.000 1.195 427 L HN 0.592 nan 8.230 nan 0.000 0.428 428 I N 4.172 124.766 120.570 0.040 0.000 2.389 428 I HA 0.466 4.637 4.170 0.001 0.000 0.288 428 I C -0.806 175.337 176.117 0.043 0.000 0.999 428 I CA -0.693 60.639 61.300 0.053 0.000 1.129 428 I CB 1.774 39.792 38.000 0.029 0.000 1.288 428 I HN 0.213 nan 8.210 nan 0.000 0.444 429 V N 6.878 126.824 119.914 0.053 0.000 2.769 429 V HA 0.495 4.616 4.120 0.001 0.000 0.312 429 V C -0.597 175.515 176.094 0.030 0.000 1.061 429 V CA -0.764 61.562 62.300 0.043 0.000 0.931 429 V CB 2.563 34.413 31.823 0.045 0.000 1.010 429 V HN 0.373 nan 8.190 nan 0.000 0.433 430 L N 2.828 124.066 121.223 0.024 0.000 2.353 430 L HA 0.727 5.068 4.340 0.001 0.000 0.270 430 L C -0.074 176.809 176.870 0.021 0.000 1.003 430 L CA 0.495 55.342 54.840 0.010 0.000 0.862 430 L CB 1.488 43.539 42.059 -0.014 0.000 1.221 430 L HN 0.858 nan 8.230 nan 0.000 0.430 431 T N 0.587 115.141 114.554 -0.000 0.000 2.883 431 T HA 0.497 4.847 4.350 0.001 0.000 0.301 431 T C 0.289 174.976 174.700 -0.023 0.000 1.158 431 T CA -0.339 61.753 62.100 -0.013 0.000 1.007 431 T CB 1.501 70.335 68.868 -0.057 0.000 1.186 431 T HN 0.543 nan 8.240 nan 0.000 0.499 432 E N 0.741 120.931 120.200 -0.017 0.000 2.332 432 E HA 0.080 4.430 4.350 0.001 0.000 0.202 432 E C 2.101 178.685 176.600 -0.027 0.000 0.877 432 E CA 0.632 57.027 56.400 -0.010 0.000 0.979 432 E CB -0.149 29.561 29.700 0.016 0.000 0.969 432 E HN 0.622 nan 8.360 nan 0.000 0.495 433 S N -0.038 115.634 115.700 -0.047 0.000 2.436 433 S HA 0.137 4.608 4.470 0.001 0.000 0.228 433 S C 1.802 176.307 174.600 -0.158 0.000 1.014 433 S CA 0.976 59.138 58.200 -0.063 0.000 0.950 433 S CB 0.145 63.311 63.200 -0.057 0.000 0.784 433 S HN 0.389 nan 8.310 nan 0.000 0.504 434 G N 2.265 110.898 108.800 -0.277 0.000 2.345 434 G HA2 -0.351 3.610 3.960 0.001 0.000 0.218 434 G HA3 -0.351 3.610 3.960 0.001 0.000 0.218 434 G C 1.070 175.321 174.900 -1.081 0.000 1.058 434 G CA 0.155 44.864 45.100 -0.651 0.000 0.632 434 G HN 0.462 nan 8.290 nan 0.000 0.508 435 R N 1.145 121.233 120.500 -0.687 0.000 2.162 435 R HA -0.187 4.154 4.340 0.001 0.000 0.245 435 R C 2.678 178.854 176.300 -0.205 0.000 1.129 435 R CA 2.322 58.204 56.100 -0.363 0.000 0.940 435 R CB -1.080 29.158 30.300 -0.103 0.000 0.875 435 R HN 0.476 nan 8.270 nan 0.000 0.437 436 S N 0.730 116.359 115.700 -0.118 0.000 2.402 436 S HA -0.151 4.320 4.470 0.001 0.000 0.233 436 S C 2.068 176.655 174.600 -0.022 0.000 1.030 436 S CA 1.318 59.510 58.200 -0.013 0.000 1.003 436 S CB -0.183 63.051 63.200 0.056 0.000 0.813 436 S HN 0.571 nan 8.310 nan 0.000 0.477 437 A N 0.893 123.653 122.820 -0.100 0.000 2.030 437 A HA 0.053 4.374 4.320 0.001 0.000 0.215 437 A C 1.691 179.292 177.584 0.028 0.000 1.164 437 A CA 0.541 52.562 52.037 -0.026 0.000 0.697 437 A CB -0.501 18.480 19.000 -0.033 0.000 0.827 437 A HN 0.428 nan 8.150 nan 0.000 0.457 438 H N -0.770 118.176 119.070 -0.207 0.000 2.462 438 H HA -0.032 4.524 4.556 0.001 0.000 0.292 438 H C 1.925 177.200 175.328 -0.088 0.000 1.049 438 H CA 1.693 57.535 56.048 -0.344 0.000 1.334 438 H CB -0.138 29.326 29.762 -0.497 0.000 1.404 438 H HN 0.522 nan 8.280 nan 0.000 0.544 439 Q N -0.045 119.816 119.800 0.102 0.000 2.389 439 Q HA 0.024 4.365 4.340 0.001 0.000 0.204 439 Q C 2.032 178.149 176.000 0.194 0.000 0.944 439 Q CA 0.279 56.153 55.803 0.118 0.000 0.908 439 Q CB 0.319 29.116 28.738 0.098 0.000 1.002 439 Q HN 0.196 nan 8.270 nan 0.000 0.493 440 V N -0.625 119.386 119.914 0.162 0.000 2.492 440 V HA 0.006 4.127 4.120 0.001 0.000 0.241 440 V C 1.965 178.167 176.094 0.179 0.000 1.041 440 V CA 1.275 63.693 62.300 0.197 0.000 1.057 440 V CB -0.511 31.388 31.823 0.126 0.000 0.711 440 V HN 0.393 nan 8.190 nan 0.000 0.468 441 A N 1.002 123.907 122.820 0.143 0.000 1.978 441 A HA -0.270 4.051 4.320 0.001 0.000 0.220 441 A C 2.312 179.961 177.584 0.109 0.000 1.170 441 A CA 2.113 54.240 52.037 0.150 0.000 0.636 441 A CB -0.625 18.492 19.000 0.196 0.000 0.810 441 A HN 0.607 nan 8.150 nan 0.000 0.448 442 R N -1.964 118.560 120.500 0.039 0.000 2.152 442 R HA -0.151 4.190 4.340 0.001 0.000 0.232 442 R C 1.116 177.191 176.300 -0.375 0.000 1.117 442 R CA 1.719 57.727 56.100 -0.154 0.000 0.981 442 R CB -0.454 29.708 30.300 -0.230 0.000 0.870 442 R HN 0.497 nan 8.270 nan 0.000 0.451 443 Y N 0.970 121.325 120.300 0.092 0.000 2.490 443 Y HA 0.250 4.801 4.550 0.001 0.000 0.281 443 Y C 0.082 176.129 175.900 0.244 0.000 1.174 443 Y CA 0.029 58.203 58.100 0.124 0.000 1.295 443 Y CB 0.338 38.886 38.460 0.147 0.000 1.062 443 Y HN -0.036 nan 8.280 nan 0.000 0.522 444 R N -0.328 120.324 120.500 0.253 0.000 3.079 444 R HA -0.146 4.195 4.340 0.001 0.000 0.254 444 R C -2.962 173.564 176.300 0.376 0.000 0.900 444 R CA 0.139 56.412 56.100 0.288 0.000 0.641 444 R CB -1.947 28.525 30.300 0.287 0.000 1.307 444 R HN 0.241 nan 8.270 nan 0.000 0.477 445 P HA 0.055 nan 4.420 nan 0.000 0.272 445 P C 0.610 177.998 177.300 0.146 0.000 1.240 445 P CA -0.266 62.913 63.100 0.131 0.000 0.791 445 P CB 0.626 32.341 31.700 0.025 0.000 0.978 446 R N 0.704 121.229 120.500 0.041 0.000 2.080 446 R HA 0.138 4.478 4.340 0.001 0.000 0.222 446 R C 0.746 177.030 176.300 -0.027 0.000 1.107 446 R CA 0.496 56.496 56.100 -0.165 0.000 0.980 446 R CB -0.315 29.824 30.300 -0.268 0.000 0.879 446 R HN 0.599 nan 8.270 nan 0.000 0.439 447 A N 2.405 125.222 122.820 -0.006 0.000 2.322 447 A HA 0.378 4.698 4.320 0.001 0.000 0.269 447 A C -2.305 175.281 177.584 0.004 0.000 1.094 447 A CA -1.582 50.453 52.037 -0.003 0.000 0.807 447 A CB 0.157 19.164 19.000 0.012 0.000 1.047 447 A HN 0.189 nan 8.150 nan 0.000 0.487 448 P HA 0.124 nan 4.420 nan 0.000 0.267 448 P C -0.783 176.553 177.300 0.060 0.000 1.205 448 P CA 0.529 63.608 63.100 -0.035 0.000 0.765 448 P CB 0.240 31.804 31.700 -0.227 0.000 0.828 449 I N 4.681 125.314 120.570 0.105 0.000 2.282 449 I HA 0.240 4.411 4.170 0.001 0.000 0.290 449 I C 0.783 177.010 176.117 0.182 0.000 1.090 449 I CA -0.545 60.833 61.300 0.129 0.000 1.231 449 I CB 0.072 38.146 38.000 0.122 0.000 1.434 449 I HN 0.155 nan 8.210 nan 0.000 0.487 450 I N 6.154 126.841 120.570 0.194 0.000 2.329 450 I HA 0.202 4.372 4.170 0.001 0.000 0.295 450 I C 0.793 177.014 176.117 0.173 0.000 1.109 450 I CA -0.000 61.445 61.300 0.243 0.000 1.297 450 I CB 0.556 38.703 38.000 0.246 0.000 1.433 450 I HN 0.573 nan 8.210 nan 0.000 0.509 451 A N 7.035 129.950 122.820 0.158 0.000 2.276 451 A HA 0.541 4.862 4.320 0.001 0.000 0.300 451 A C -0.257 177.371 177.584 0.074 0.000 1.235 451 A CA -0.388 51.701 52.037 0.087 0.000 0.867 451 A CB 0.675 19.706 19.000 0.050 0.000 1.137 451 A HN 0.461 nan 8.150 nan 0.000 0.527 452 V N 3.622 123.565 119.914 0.048 0.000 2.304 452 V HA 0.408 4.528 4.120 0.001 0.000 0.269 452 V C 0.610 176.704 176.094 -0.001 0.000 1.036 452 V CA -0.006 62.311 62.300 0.029 0.000 0.840 452 V CB 0.807 32.644 31.823 0.023 0.000 1.036 452 V HN 0.988 nan 8.190 nan 0.000 0.466 453 T N 4.107 118.653 114.554 -0.013 0.000 2.940 453 T HA 0.494 4.844 4.350 0.001 0.000 0.288 453 T C 0.757 175.427 174.700 -0.050 0.000 1.045 453 T CA -0.515 61.568 62.100 -0.028 0.000 1.018 453 T CB 1.671 70.522 68.868 -0.030 0.000 1.151 453 T HN 0.631 nan 8.240 nan 0.000 0.529 454 R N 0.790 121.267 120.500 -0.039 0.000 2.446 454 R HA 0.262 4.603 4.340 0.001 0.000 0.254 454 R C 0.058 176.341 176.300 -0.028 0.000 0.918 454 R CA -0.159 55.914 56.100 -0.046 0.000 1.069 454 R CB 0.362 30.657 30.300 -0.008 0.000 1.194 454 R HN 0.350 nan 8.270 nan 0.000 0.534 455 N N 1.064 119.760 118.700 -0.006 0.000 2.678 455 N HA 0.027 4.768 4.740 0.001 0.000 0.231 455 N C 0.597 176.148 175.510 0.069 0.000 1.038 455 N CA 0.096 53.182 53.050 0.060 0.000 0.932 455 N CB 0.308 38.824 38.487 0.047 0.000 1.176 455 N HN 0.235 nan 8.380 nan 0.000 0.511 456 H N 1.366 120.464 119.070 0.047 0.000 2.362 456 H HA -0.249 4.307 4.556 0.001 0.000 0.294 456 H C 1.217 176.582 175.328 0.063 0.000 1.113 456 H CA 1.861 57.949 56.048 0.068 0.000 1.253 456 H CB 0.353 30.161 29.762 0.076 0.000 1.363 456 H HN 0.641 nan 8.280 nan 0.000 0.494 457 Q N 0.170 120.084 119.800 0.190 0.000 2.079 457 Q HA -0.117 4.224 4.340 0.001 0.000 0.200 457 Q C 2.320 178.380 176.000 0.099 0.000 0.974 457 Q CA 1.616 57.493 55.803 0.123 0.000 0.840 457 Q CB 0.082 28.876 28.738 0.094 0.000 0.898 457 Q HN 0.224 nan 8.270 nan 0.000 0.430 458 T N -0.245 114.358 114.554 0.081 0.000 2.849 458 T HA -0.118 4.233 4.350 0.001 0.000 0.270 458 T C 1.400 176.132 174.700 0.053 0.000 1.066 458 T CA 1.132 63.271 62.100 0.066 0.000 1.130 458 T CB -0.162 68.722 68.868 0.028 0.000 0.864 458 T HN 0.455 nan 8.240 nan 0.000 0.481 459 A N 0.534 123.373 122.820 0.031 0.000 1.975 459 A HA 0.138 4.459 4.320 0.001 0.000 0.215 459 A C 2.329 179.884 177.584 -0.047 0.000 1.170 459 A CA 0.729 52.750 52.037 -0.027 0.000 0.656 459 A CB -0.214 18.765 19.000 -0.034 0.000 0.821 459 A HN 0.374 nan 8.150 nan 0.000 0.449 460 R N -0.167 120.366 120.500 0.054 0.000 2.062 460 R HA -0.066 4.275 4.340 0.001 0.000 0.226 460 R C 2.200 178.578 176.300 0.131 0.000 1.125 460 R CA 1.511 57.677 56.100 0.111 0.000 0.966 460 R CB -0.235 30.145 30.300 0.133 0.000 0.861 460 R HN 0.666 nan 8.270 nan 0.000 0.433 461 Q N -0.048 119.827 119.800 0.125 0.000 2.436 461 Q HA 0.018 4.359 4.340 0.001 0.000 0.209 461 Q C 1.875 178.002 176.000 0.211 0.000 0.965 461 Q CA 0.864 56.767 55.803 0.166 0.000 0.910 461 Q CB 0.053 28.892 28.738 0.169 0.000 0.980 461 Q HN 0.295 nan 8.270 nan 0.000 0.491 462 A N 1.121 124.022 122.820 0.135 0.000 1.940 462 A HA -0.244 4.076 4.320 0.001 0.000 0.219 462 A C 1.478 179.169 177.584 0.178 0.000 1.176 462 A CA 1.579 53.708 52.037 0.153 0.000 0.631 462 A CB -0.864 18.120 19.000 -0.026 0.000 0.814 462 A HN 0.447 nan 8.150 nan 0.000 0.446 463 H N -1.540 117.606 119.070 0.126 0.000 2.437 463 H HA -0.185 4.372 4.556 0.001 0.000 0.296 463 H C 1.761 177.131 175.328 0.071 0.000 1.121 463 H CA 1.258 57.347 56.048 0.068 0.000 1.255 463 H CB -0.072 29.703 29.762 0.021 0.000 1.366 463 H HN 0.369 nan 8.280 nan 0.000 0.512 464 L N 0.069 121.408 121.223 0.194 0.000 2.265 464 L HA -0.144 4.196 4.340 0.001 0.000 0.215 464 L C -0.159 176.582 176.870 -0.214 0.000 1.117 464 L CA 1.240 56.073 54.840 -0.011 0.000 0.782 464 L CB -0.306 41.706 42.059 -0.078 0.000 0.914 464 L HN 0.184 nan 8.230 nan 0.000 0.441 465 Y N -0.914 119.383 120.300 -0.005 0.000 2.323 465 Y HA 0.434 4.985 4.550 0.001 0.000 0.331 465 Y C 0.745 176.668 175.900 0.039 0.000 1.092 465 Y CA -1.321 56.772 58.100 -0.013 0.000 1.150 465 Y CB 0.455 38.891 38.460 -0.040 0.000 1.200 465 Y HN -0.118 nan 8.280 nan 0.000 0.472 466 R N 1.593 122.180 120.500 0.146 0.000 2.399 466 R HA 0.391 4.731 4.340 0.001 0.000 0.324 466 R C 0.984 177.376 176.300 0.153 0.000 1.030 466 R CA 1.044 57.217 56.100 0.122 0.000 0.984 466 R CB -0.670 29.676 30.300 0.078 0.000 0.961 466 R HN 0.953 nan 8.270 nan 0.000 0.433 467 G N 4.297 113.186 108.800 0.148 0.000 2.254 467 G HA2 -0.243 3.717 3.960 0.001 0.000 0.225 467 G HA3 -0.243 3.717 3.960 0.001 0.000 0.225 467 G C 0.208 175.210 174.900 0.171 0.000 1.003 467 G CA 0.009 45.195 45.100 0.143 0.000 0.622 467 G HN 0.578 nan 8.290 nan 0.000 0.507 468 I N 0.978 121.658 120.570 0.184 0.000 2.517 468 I HA 0.438 4.609 4.170 0.001 0.000 0.285 468 I C -0.049 176.177 176.117 0.182 0.000 1.106 468 I CA -0.193 61.212 61.300 0.175 0.000 1.402 468 I CB 0.434 38.522 38.000 0.147 0.000 1.399 468 I HN 0.080 nan 8.210 nan 0.000 0.535 469 F N 9.888 129.884 119.950 0.077 0.000 2.307 469 F HA 0.499 5.027 4.527 0.001 0.000 0.369 469 F C -2.303 173.525 175.800 0.048 0.000 1.076 469 F CA -2.944 55.114 58.000 0.095 0.000 1.149 469 F CB 0.658 39.759 39.000 0.168 0.000 1.410 469 F HN 0.265 nan 8.300 nan 0.000 0.481 470 P HA 0.151 nan 4.420 nan 0.000 0.269 470 P C -1.168 176.136 177.300 0.007 0.000 1.209 470 P CA 0.047 63.076 63.100 -0.117 0.000 0.776 470 P CB 1.271 32.786 31.700 -0.309 0.000 0.876 471 V N 3.215 123.181 119.914 0.086 0.000 2.612 471 V HA 0.210 4.331 4.120 0.001 0.000 0.301 471 V C -0.177 175.956 176.094 0.065 0.000 1.059 471 V CA -0.715 61.669 62.300 0.140 0.000 0.886 471 V CB 2.314 34.256 31.823 0.199 0.000 1.007 471 V HN 0.210 nan 8.190 nan 0.000 0.426 472 V N 3.383 123.337 119.914 0.068 0.000 2.394 472 V HA 0.306 4.426 4.120 0.001 0.000 0.282 472 V C 0.255 176.326 176.094 -0.037 0.000 1.031 472 V CA -0.463 61.816 62.300 -0.035 0.000 0.881 472 V CB 1.598 33.338 31.823 -0.138 0.000 0.982 472 V HN 1.029 nan 8.190 nan 0.000 0.451 473 C N 6.121 125.385 119.300 -0.060 0.000 2.281 473 C HA 0.339 4.800 4.460 0.001 0.000 0.336 473 C C 1.556 176.516 174.990 -0.051 0.000 1.217 473 C CA -0.415 58.578 59.018 -0.040 0.000 1.730 473 C CB -0.660 27.060 27.740 -0.034 0.000 2.338 473 C HN 1.038 nan 8.230 nan 0.000 0.521 474 K N 2.186 122.565 120.400 -0.035 0.000 2.211 474 K HA 0.042 4.363 4.320 0.001 0.000 0.201 474 K C 0.428 177.025 176.600 -0.006 0.000 1.052 474 K CA 0.611 56.887 56.287 -0.018 0.000 0.973 474 K CB 0.036 32.522 32.500 -0.024 0.000 0.766 474 K HN 0.764 nan 8.250 nan 0.000 0.466 475 D N 2.246 122.639 120.400 -0.012 0.000 2.429 475 D HA -0.040 4.600 4.640 0.001 0.000 0.233 475 D C -2.300 173.995 176.300 -0.008 0.000 1.202 475 D CA -0.382 53.611 54.000 -0.011 0.000 0.879 475 D CB 0.106 40.896 40.800 -0.017 0.000 1.212 475 D HN 0.054 nan 8.370 nan 0.000 0.465 476 P HA 0.139 nan 4.420 nan 0.000 0.285 476 P C -0.734 176.563 177.300 -0.005 0.000 1.269 476 P CA -0.690 62.409 63.100 -0.001 0.000 0.844 476 P CB 0.789 32.490 31.700 0.001 0.000 1.094 477 V N 3.527 123.443 119.914 0.004 0.000 2.452 477 V HA -0.082 4.038 4.120 0.001 0.000 0.286 477 V C 1.103 177.201 176.094 0.007 0.000 0.995 477 V CA 0.478 62.784 62.300 0.009 0.000 1.116 477 V CB -0.965 30.875 31.823 0.028 0.000 0.954 477 V HN 0.473 nan 8.190 nan 0.000 0.473 478 Q N 3.668 123.465 119.800 -0.005 0.000 2.373 478 Q HA 0.106 4.446 4.340 0.001 0.000 0.255 478 Q C 1.262 177.273 176.000 0.018 0.000 0.980 478 Q CA -0.080 55.719 55.803 -0.006 0.000 0.882 478 Q CB 0.925 29.645 28.738 -0.029 0.000 1.249 478 Q HN 0.766 nan 8.270 nan 0.000 0.438 479 E N 1.363 121.572 120.200 0.015 0.000 2.031 479 E HA -0.093 4.258 4.350 0.001 0.000 0.193 479 E C -0.201 176.426 176.600 0.045 0.000 0.994 479 E CA 0.773 57.188 56.400 0.026 0.000 0.800 479 E CB 0.240 29.947 29.700 0.013 0.000 0.752 479 E HN 0.647 nan 8.360 nan 0.000 0.447 480 A N 1.263 124.103 122.820 0.033 0.000 2.362 480 A HA -0.014 4.307 4.320 0.001 0.000 0.276 480 A C 0.658 178.294 177.584 0.087 0.000 1.153 480 A CA -0.457 51.611 52.037 0.051 0.000 0.813 480 A CB -0.225 18.784 19.000 0.015 0.000 1.081 480 A HN 0.622 nan 8.150 nan 0.000 0.507 481 W N 3.083 124.329 121.300 -0.091 0.000 2.298 481 W HA -0.361 4.299 4.660 0.001 0.000 0.328 481 W C 1.893 178.345 176.519 -0.112 0.000 1.259 481 W CA 2.498 59.778 57.345 -0.109 0.000 1.251 481 W CB -0.362 29.007 29.460 -0.151 0.000 1.161 481 W HN 0.804 nan 8.180 nan 0.000 0.466 482 A N 0.484 123.244 122.820 -0.099 0.000 1.915 482 A HA -0.327 3.993 4.320 0.001 0.000 0.220 482 A C 1.906 179.351 177.584 -0.232 0.000 1.198 482 A CA 2.343 54.250 52.037 -0.217 0.000 0.647 482 A CB -1.267 17.671 19.000 -0.104 0.000 0.825 482 A HN 0.542 nan 8.150 nan 0.000 0.456 483 E N -1.199 118.909 120.200 -0.152 0.000 2.152 483 E HA -0.184 4.166 4.350 0.001 0.000 0.192 483 E C 1.688 178.191 176.600 -0.161 0.000 0.983 483 E CA 1.266 57.590 56.400 -0.126 0.000 0.818 483 E CB -0.143 29.514 29.700 -0.072 0.000 0.758 483 E HN 0.760 nan 8.360 nan 0.000 0.467 484 D N -0.412 119.863 120.400 -0.209 0.000 2.149 484 D HA -0.104 4.536 4.640 0.001 0.000 0.201 484 D C 1.920 178.014 176.300 -0.343 0.000 0.972 484 D CA 0.603 54.465 54.000 -0.231 0.000 0.835 484 D CB 0.336 41.026 40.800 -0.183 0.000 0.966 484 D HN -0.083 nan 8.370 nan 0.000 0.476 485 V N 0.374 119.969 119.914 -0.532 0.000 2.255 485 V HA -0.183 3.938 4.120 0.001 0.000 0.243 485 V C 1.744 177.663 176.094 -0.293 0.000 1.038 485 V CA 1.997 63.979 62.300 -0.531 0.000 1.008 485 V CB -0.541 30.851 31.823 -0.718 0.000 0.645 485 V HN 0.152 nan 8.190 nan 0.000 0.449 486 D N -0.196 120.055 120.400 -0.249 0.000 2.228 486 D HA -0.196 4.444 4.640 0.001 0.000 0.203 486 D C 1.918 178.146 176.300 -0.120 0.000 0.988 486 D CA 1.125 55.031 54.000 -0.156 0.000 0.864 486 D CB -0.160 40.563 40.800 -0.128 0.000 0.928 486 D HN 0.381 nan 8.370 nan 0.000 0.469 487 L N 0.400 121.543 121.223 -0.133 0.000 2.005 487 L HA -0.138 4.203 4.340 0.001 0.000 0.207 487 L C 2.072 178.896 176.870 -0.077 0.000 1.072 487 L CA 1.431 56.214 54.840 -0.095 0.000 0.744 487 L CB -0.014 41.987 42.059 -0.097 0.000 0.895 487 L HN -0.068 nan 8.230 nan 0.000 0.433 488 R N -1.039 119.403 120.500 -0.097 0.000 2.115 488 R HA -0.060 4.280 4.340 0.001 0.000 0.226 488 R C 2.063 178.337 176.300 -0.044 0.000 1.100 488 R CA 1.197 57.257 56.100 -0.067 0.000 0.980 488 R CB -0.638 29.612 30.300 -0.083 0.000 0.875 488 R HN 0.287 nan 8.270 nan 0.000 0.445 489 V N 2.190 122.065 119.914 -0.065 0.000 2.295 489 V HA -0.258 3.863 4.120 0.001 0.000 0.246 489 V C 1.995 178.078 176.094 -0.019 0.000 1.049 489 V CA 1.760 64.033 62.300 -0.045 0.000 1.024 489 V CB -0.589 31.193 31.823 -0.069 0.000 0.648 489 V HN 0.387 nan 8.190 nan 0.000 0.447 490 N N -0.088 118.595 118.700 -0.027 0.000 2.223 490 N HA -0.164 4.576 4.740 0.001 0.000 0.185 490 N C 1.792 177.309 175.510 0.013 0.000 1.016 490 N CA 1.493 54.538 53.050 -0.008 0.000 0.863 490 N CB -0.184 38.292 38.487 -0.019 0.000 0.983 490 N HN 0.365 nan 8.380 nan 0.000 0.429 491 L N 1.542 122.770 121.223 0.008 0.000 1.994 491 L HA -0.095 4.246 4.340 0.001 0.000 0.208 491 L C 2.299 179.200 176.870 0.050 0.000 1.071 491 L CA 1.744 56.597 54.840 0.022 0.000 0.745 491 L CB -0.942 41.126 42.059 0.015 0.000 0.892 491 L HN 0.063 nan 8.230 nan 0.000 0.431 492 A N -0.923 121.935 122.820 0.063 0.000 1.892 492 A HA -0.298 4.023 4.320 0.001 0.000 0.218 492 A C 2.313 180.006 177.584 0.181 0.000 1.188 492 A CA 2.442 54.547 52.037 0.113 0.000 0.631 492 A CB -0.727 18.336 19.000 0.104 0.000 0.822 492 A HN 0.533 nan 8.150 nan 0.000 0.447 493 M N 0.113 119.803 119.600 0.149 0.000 2.073 493 M HA -0.198 4.283 4.480 0.001 0.000 0.258 493 M C 1.732 178.176 176.300 0.240 0.000 1.070 493 M CA 2.258 57.697 55.300 0.231 0.000 1.103 493 M CB -0.854 31.800 32.600 0.091 0.000 1.321 493 M HN 0.594 nan 8.290 nan 0.000 0.405 494 N N -1.180 117.579 118.700 0.098 0.000 2.084 494 N HA -0.150 4.590 4.740 0.001 0.000 0.190 494 N C 1.528 177.009 175.510 -0.049 0.000 1.030 494 N CA 1.615 54.682 53.050 0.029 0.000 0.849 494 N CB -0.189 38.306 38.487 0.014 0.000 1.012 494 N HN 0.149 nan 8.380 nan 0.000 0.423 495 V N 0.581 120.469 119.914 -0.043 0.000 2.237 495 V HA -0.185 3.935 4.120 0.001 0.000 0.245 495 V C 2.442 178.309 176.094 -0.379 0.000 1.046 495 V CA 2.182 64.400 62.300 -0.137 0.000 1.007 495 V CB -1.342 30.458 31.823 -0.038 0.000 0.638 495 V HN 0.451 nan 8.190 nan 0.000 0.445 496 G N -0.590 108.010 108.800 -0.334 0.000 2.469 496 G HA2 -0.354 3.606 3.960 0.001 0.000 0.219 496 G HA3 -0.354 3.606 3.960 0.001 0.000 0.219 496 G C 1.664 175.813 174.900 -1.252 0.000 1.150 496 G CA 1.297 45.869 45.100 -0.879 0.000 0.763 496 G HN 0.488 nan 8.290 nan 0.000 0.561 497 K N 0.279 120.281 120.400 -0.664 0.000 2.148 497 K HA 0.164 4.484 4.320 0.001 0.000 0.204 497 K C 2.708 179.104 176.600 -0.340 0.000 1.050 497 K CA 1.118 57.178 56.287 -0.379 0.000 0.942 497 K CB -0.187 32.296 32.500 -0.029 0.000 0.724 497 K HN 0.250 nan 8.250 nan 0.000 0.446 498 A N 0.336 122.952 122.820 -0.340 0.000 1.975 498 A HA 0.005 4.326 4.320 0.001 0.000 0.215 498 A C 1.850 179.214 177.584 -0.366 0.000 1.170 498 A CA 0.623 52.498 52.037 -0.269 0.000 0.656 498 A CB -0.132 18.761 19.000 -0.178 0.000 0.821 498 A HN 0.076 nan 8.150 nan 0.000 0.449 499 R N -1.072 119.037 120.500 -0.651 0.000 2.148 499 R HA 0.025 4.366 4.340 0.001 0.000 0.223 499 R C 1.415 177.355 176.300 -0.600 0.000 1.088 499 R CA 0.938 56.550 56.100 -0.814 0.000 0.985 499 R CB -0.607 28.693 30.300 -1.667 0.000 0.880 499 R HN 0.873 nan 8.270 nan 0.000 0.451 500 G N -0.625 107.849 108.800 -0.545 0.000 2.168 500 G HA2 -0.212 3.748 3.960 0.001 0.000 0.197 500 G HA3 -0.212 3.748 3.960 0.001 0.000 0.197 500 G C 0.558 175.451 174.900 -0.013 0.000 0.997 500 G CA 0.010 44.989 45.100 -0.202 0.000 0.658 500 G HN 0.182 nan 8.290 nan 0.000 0.513 501 F N 0.472 120.194 119.950 -0.381 0.000 2.163 501 F HA 0.375 4.903 4.527 0.001 0.000 0.297 501 F C 1.451 177.133 175.800 -0.198 0.000 1.094 501 F CA 0.513 58.313 58.000 -0.334 0.000 1.290 501 F CB -0.886 37.851 39.000 -0.438 0.000 1.017 501 F HN 0.359 nan 8.300 nan 0.000 0.483 502 F N -2.208 117.826 119.950 0.140 0.000 2.692 502 F HA 0.739 5.267 4.527 0.001 0.000 0.320 502 F C -0.453 175.360 175.800 0.022 0.000 1.123 502 F CA -2.051 55.989 58.000 0.068 0.000 0.961 502 F CB 1.116 40.152 39.000 0.061 0.000 1.383 502 F HN -0.421 nan 8.300 nan 0.000 0.483 503 K N -0.005 120.605 120.400 0.351 0.000 2.082 503 K HA 0.364 4.685 4.320 0.001 0.000 0.242 503 K C 0.658 177.367 176.600 0.182 0.000 1.070 503 K CA -0.979 55.423 56.287 0.191 0.000 0.892 503 K CB 2.135 34.704 32.500 0.116 0.000 1.417 503 K HN 0.718 nan 8.250 nan 0.000 0.541 504 K N 0.183 120.642 120.400 0.099 0.000 2.025 504 K HA -0.061 4.260 4.320 0.001 0.000 0.207 504 K C 1.477 178.100 176.600 0.039 0.000 1.049 504 K CA 1.833 58.157 56.287 0.062 0.000 0.933 504 K CB -0.354 32.170 32.500 0.041 0.000 0.714 504 K HN 0.709 nan 8.250 nan 0.000 0.438 505 G N 1.173 109.996 108.800 0.038 0.000 2.985 505 G HA2 -0.053 3.908 3.960 0.001 0.000 0.209 505 G HA3 -0.053 3.908 3.960 0.001 0.000 0.209 505 G C -0.030 174.879 174.900 0.015 0.000 1.165 505 G CA -0.185 44.927 45.100 0.021 0.000 0.776 505 G HN 0.267 nan 8.290 nan 0.000 0.541 506 D N -0.176 120.242 120.400 0.029 0.000 2.354 506 D HA 0.279 4.920 4.640 0.001 0.000 0.238 506 D C -0.124 176.142 176.300 -0.057 0.000 1.250 506 D CA 0.289 54.298 54.000 0.015 0.000 0.911 506 D CB 1.951 42.809 40.800 0.096 0.000 1.163 506 D HN -0.125 nan 8.370 nan 0.000 0.456 507 V N 1.301 121.174 119.914 -0.067 0.000 2.577 507 V HA 0.317 4.437 4.120 0.001 0.000 0.303 507 V C 0.051 176.071 176.094 -0.123 0.000 1.042 507 V CA -0.623 61.623 62.300 -0.091 0.000 0.872 507 V CB 2.159 33.954 31.823 -0.047 0.000 0.998 507 V HN 0.233 nan 8.190 nan 0.000 0.423 508 V N 5.360 125.172 119.914 -0.170 0.000 3.113 508 V HA 0.610 4.730 4.120 0.001 0.000 0.316 508 V C -0.862 175.170 176.094 -0.104 0.000 1.125 508 V CA -0.769 61.428 62.300 -0.172 0.000 1.026 508 V CB 2.509 34.136 31.823 -0.328 0.000 1.080 508 V HN 0.588 nan 8.190 nan 0.000 0.444 509 I N 2.559 123.085 120.570 -0.074 0.000 2.406 509 I HA 0.447 4.618 4.170 0.001 0.000 0.290 509 I C -0.600 175.498 176.117 -0.031 0.000 0.999 509 I CA -0.472 60.799 61.300 -0.047 0.000 1.124 509 I CB 1.752 39.726 38.000 -0.042 0.000 1.289 509 I HN 0.212 nan 8.210 nan 0.000 0.441 510 V N 7.339 127.241 119.914 -0.020 0.000 2.357 510 V HA 0.445 4.565 4.120 0.001 0.000 0.284 510 V C 0.001 176.110 176.094 0.025 0.000 1.018 510 V CA -0.633 61.665 62.300 -0.004 0.000 0.841 510 V CB 1.978 33.790 31.823 -0.018 0.000 0.991 510 V HN 0.440 nan 8.190 nan 0.000 0.437 511 L N 5.445 126.690 121.223 0.036 0.000 2.265 511 L HA 0.736 5.077 4.340 0.001 0.000 0.289 511 L C 0.408 177.323 176.870 0.075 0.000 1.033 511 L CA 0.249 55.129 54.840 0.066 0.000 0.814 511 L CB 1.726 43.826 42.059 0.068 0.000 1.203 511 L HN 0.935 nan 8.230 nan 0.000 0.423 512 T N 0.470 115.090 114.554 0.110 0.000 2.778 512 T HA 0.680 5.030 4.350 0.001 0.000 0.293 512 T C -0.175 174.650 174.700 0.209 0.000 1.144 512 T CA -0.501 61.674 62.100 0.125 0.000 1.010 512 T CB 1.762 70.672 68.868 0.071 0.000 1.325 512 T HN 0.513 nan 8.240 nan 0.000 0.515 513 G N 0.082 109.067 108.800 0.309 0.000 2.356 513 G HA2 0.388 4.348 3.960 0.001 0.000 0.298 513 G HA3 0.388 4.348 3.960 0.001 0.000 0.298 513 G C 0.511 175.694 174.900 0.472 0.000 1.145 513 G CA -0.797 44.499 45.100 0.326 0.000 0.850 513 G HN 0.818 nan 8.290 nan 0.000 0.487 514 W N 2.886 124.233 121.300 0.078 0.000 2.354 514 W HA 0.016 4.676 4.660 0.001 0.000 0.315 514 W C 0.250 176.817 176.519 0.079 0.000 1.206 514 W CA 0.631 58.035 57.345 0.098 0.000 1.290 514 W CB 0.327 29.779 29.460 -0.014 0.000 1.152 514 W HN 0.272 nan 8.180 nan 0.000 0.489 515 R N -0.403 119.942 120.500 -0.258 0.000 2.854 515 R HA 0.336 4.676 4.340 0.001 0.000 0.271 515 R C -2.493 173.093 176.300 -1.190 0.000 0.994 515 R CA -2.539 53.058 56.100 -0.837 0.000 0.945 515 R CB 0.312 30.368 30.300 -0.406 0.000 1.194 515 R HN -0.205 nan 8.270 nan 0.000 0.476 516 P HA 0.048 nan 4.420 nan 0.000 0.264 516 P C 0.466 177.422 177.300 -0.573 0.000 1.193 516 P CA 0.595 62.936 63.100 -1.266 0.000 0.763 516 P CB 0.287 31.517 31.700 -0.784 0.000 0.810 517 G N 2.529 111.105 108.800 -0.374 0.000 2.149 517 G HA2 -0.292 3.668 3.960 0.001 0.000 0.235 517 G HA3 -0.292 3.668 3.960 0.001 0.000 0.235 517 G C 1.265 176.036 174.900 -0.216 0.000 1.018 517 G CA 0.322 45.293 45.100 -0.216 0.000 0.728 517 G HN 0.431 nan 8.290 nan 0.000 0.508 518 S N -0.929 114.616 115.700 -0.258 0.000 2.400 518 S HA 0.210 4.680 4.470 0.001 0.000 0.232 518 S C 2.523 176.916 174.600 -0.346 0.000 1.025 518 S CA 2.519 60.550 58.200 -0.282 0.000 0.993 518 S CB -0.226 62.821 63.200 -0.255 0.000 0.808 518 S HN 2.304 nan 8.310 nan 0.000 0.478 519 G N 0.352 109.012 108.800 -0.233 0.000 2.349 519 G HA2 -0.195 3.766 3.960 0.001 0.000 0.213 519 G HA3 -0.195 3.766 3.960 0.001 0.000 0.213 519 G C 0.063 174.961 174.900 -0.004 0.000 1.044 519 G CA 0.075 45.102 45.100 -0.122 0.000 0.633 519 G HN 0.784 nan 8.290 nan 0.000 0.506 520 F N -0.617 119.348 119.950 0.026 0.000 2.831 520 F HA 0.699 5.226 4.527 0.001 0.000 0.318 520 F C -0.018 175.817 175.800 0.058 0.000 1.174 520 F CA -0.622 57.395 58.000 0.029 0.000 0.918 520 F CB 0.462 39.473 39.000 0.017 0.000 1.364 520 F HN 0.399 nan 8.300 nan 0.000 0.475 521 T N 0.915 115.696 114.554 0.379 0.000 2.738 521 T HA 0.275 4.625 4.350 0.001 0.000 0.293 521 T C -0.081 174.881 174.700 0.437 0.000 0.913 521 T CA -0.412 61.854 62.100 0.277 0.000 1.103 521 T CB -0.179 68.817 68.868 0.214 0.000 0.880 521 T HN 0.775 nan 8.240 nan 0.000 0.526 522 N N 1.034 119.858 118.700 0.207 0.000 2.338 522 N HA 0.148 4.888 4.740 0.001 0.000 0.251 522 N C -0.864 174.761 175.510 0.192 0.000 1.199 522 N CA -0.724 52.504 53.050 0.298 0.000 0.879 522 N CB 0.635 39.172 38.487 0.082 0.000 1.159 522 N HN 0.532 nan 8.380 nan 0.000 0.514 523 T N 0.973 115.642 114.554 0.192 0.000 3.143 523 T HA 0.304 4.655 4.350 0.001 0.000 0.312 523 T C -0.781 173.998 174.700 0.131 0.000 0.986 523 T CA -0.660 61.540 62.100 0.168 0.000 1.024 523 T CB 1.805 70.850 68.868 0.296 0.000 1.030 523 T HN 0.225 nan 8.240 nan 0.000 0.448 524 M N 3.556 123.205 119.600 0.083 0.000 2.537 524 M HA 0.702 5.183 4.480 0.001 0.000 0.324 524 M C -1.313 175.013 176.300 0.043 0.000 1.187 524 M CA -0.527 54.806 55.300 0.054 0.000 0.993 524 M CB 1.545 34.161 32.600 0.027 0.000 1.666 524 M HN 0.558 nan 8.290 nan 0.000 0.461 525 R N 2.291 122.807 120.500 0.026 0.000 2.535 525 R HA 0.492 4.833 4.340 0.001 0.000 0.274 525 R C -1.775 174.519 176.300 -0.009 0.000 1.090 525 R CA -0.726 55.383 56.100 0.016 0.000 0.930 525 R CB 2.657 32.973 30.300 0.027 0.000 1.223 525 R HN 0.597 nan 8.270 nan 0.000 0.441 526 V N 4.546 124.450 119.914 -0.016 0.000 2.334 526 V HA 0.317 4.437 4.120 0.001 0.000 0.267 526 V C -0.112 175.962 176.094 -0.034 0.000 1.040 526 V CA -0.397 61.885 62.300 -0.030 0.000 0.866 526 V CB 1.239 33.045 31.823 -0.029 0.000 1.019 526 V HN 0.413 nan 8.190 nan 0.000 0.468 527 V N 7.701 127.584 119.914 -0.052 0.000 2.864 527 V HA 0.601 4.721 4.120 0.001 0.000 0.314 527 V C -2.424 173.618 176.094 -0.086 0.000 1.073 527 V CA -1.995 60.270 62.300 -0.059 0.000 0.956 527 V CB 2.706 34.492 31.823 -0.062 0.000 1.023 527 V HN 0.650 nan 8.190 nan 0.000 0.435 528 P HA 0.380 nan 4.420 nan 0.000 0.290 528 P C -0.758 176.475 177.300 -0.112 0.000 1.275 528 P CA -0.501 62.547 63.100 -0.086 0.000 0.841 528 P CB 1.371 33.041 31.700 -0.050 0.000 1.042 529 V N 4.517 124.344 119.914 -0.145 0.000 2.655 529 V HA 0.100 4.221 4.120 0.001 0.000 0.300 529 V C -1.661 174.406 176.094 -0.045 0.000 1.044 529 V CA -0.757 61.456 62.300 -0.145 0.000 1.095 529 V CB -0.367 31.369 31.823 -0.145 0.000 0.952 529 V HN 0.593 nan 8.190 nan 0.000 0.485 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 530 P CB 0.000 31.696 31.700 -0.007 0.000 0.726