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_G DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR 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 0.000 176.107 176.117 -0.016 0.000 1.063 12 I CA 0.000 61.282 61.300 -0.030 0.000 1.566 12 I CB 0.000 37.988 38.000 -0.020 0.000 1.214 13 Q N 1.060 120.853 119.800 -0.011 0.000 2.335 13 Q HA 0.644 4.985 4.340 0.000 0.000 0.180 13 Q C -0.147 175.864 176.000 0.018 0.000 1.101 13 Q CA 0.041 55.849 55.803 0.009 0.000 1.165 13 Q CB 0.852 29.605 28.738 0.025 0.000 1.220 13 Q HN 0.781 nan 8.270 nan 0.000 0.626 14 T N -3.071 111.499 114.554 0.027 0.000 2.900 14 T HA 0.328 4.678 4.350 0.000 0.000 0.303 14 T C -0.562 174.160 174.700 0.036 0.000 1.142 14 T CA -0.754 61.362 62.100 0.027 0.000 1.007 14 T CB 1.671 70.553 68.868 0.024 0.000 1.156 14 T HN 0.674 nan 8.240 nan 0.000 0.490 15 Q N 0.254 120.075 119.800 0.035 0.000 2.489 15 Q HA -0.221 4.119 4.340 0.000 0.000 0.259 15 Q C -0.226 175.813 176.000 0.064 0.000 0.934 15 Q CA 0.975 56.805 55.803 0.046 0.000 1.131 15 Q CB -1.290 27.470 28.738 0.038 0.000 1.472 15 Q HN 0.956 nan 8.270 nan 0.000 0.560 16 Q N -0.980 118.852 119.800 0.054 0.000 2.463 16 Q HA -0.214 4.126 4.340 0.000 0.000 0.299 16 Q C 0.537 176.589 176.000 0.087 0.000 1.353 16 Q CA 0.904 56.740 55.803 0.056 0.000 0.828 16 Q CB -0.902 27.858 28.738 0.036 0.000 1.157 16 Q HN 0.567 nan 8.270 nan 0.000 0.436 17 L N -0.921 120.356 121.223 0.089 0.000 2.376 17 L HA -0.138 4.202 4.340 0.000 0.000 0.219 17 L C 1.962 178.920 176.870 0.147 0.000 1.133 17 L CA 1.651 56.551 54.840 0.100 0.000 0.816 17 L CB -0.470 41.632 42.059 0.071 0.000 0.933 17 L HN 0.548 nan 8.230 nan 0.000 0.449 18 H N 0.831 119.912 119.070 0.018 0.000 2.307 18 H HA -0.019 4.537 4.556 0.000 0.000 0.303 18 H C 2.130 177.470 175.328 0.020 0.000 1.073 18 H CA 1.534 57.589 56.048 0.011 0.000 1.338 18 H CB 0.153 29.909 29.762 -0.011 0.000 1.389 18 H HN 0.170 nan 8.280 nan 0.000 0.503 19 A N 0.966 123.741 122.820 -0.075 0.000 1.978 19 A HA -0.074 4.246 4.320 0.000 0.000 0.220 19 A C 2.587 180.233 177.584 0.104 0.000 1.170 19 A CA 1.835 53.783 52.037 -0.149 0.000 0.636 19 A CB -1.253 17.585 19.000 -0.270 0.000 0.810 19 A HN 0.598 nan 8.150 nan 0.000 0.448 20 A N -0.972 121.943 122.820 0.158 0.000 2.067 20 A HA -0.043 4.277 4.320 0.000 0.000 0.219 20 A C 2.077 179.785 177.584 0.206 0.000 1.158 20 A CA 1.607 53.773 52.037 0.216 0.000 0.661 20 A CB -0.420 18.690 19.000 0.183 0.000 0.801 20 A HN 0.478 nan 8.150 nan 0.000 0.452 21 M N -0.235 119.449 119.600 0.141 0.000 2.349 21 M HA 0.123 4.603 4.480 0.000 0.000 0.266 21 M C 1.393 177.780 176.300 0.144 0.000 1.076 21 M CA 0.618 55.993 55.300 0.125 0.000 1.126 21 M CB -1.499 31.169 32.600 0.114 0.000 1.392 21 M HN 0.392 nan 8.290 nan 0.000 0.440 22 A N 2.616 125.506 122.820 0.116 0.000 2.622 22 A HA -0.109 4.211 4.320 0.000 0.000 0.235 22 A C 0.603 178.357 177.584 0.283 0.000 1.013 22 A CA 0.911 53.016 52.037 0.114 0.000 0.765 22 A CB -0.358 18.642 19.000 0.001 0.000 0.921 22 A HN 0.617 nan 8.150 nan 0.000 0.506 23 D N 0.554 121.069 120.400 0.191 0.000 2.213 23 D HA 0.087 4.727 4.640 0.000 0.000 0.205 23 D C 0.896 177.334 176.300 0.229 0.000 0.961 23 D CA 1.241 55.345 54.000 0.173 0.000 0.853 23 D CB -0.119 40.737 40.800 0.093 0.000 0.967 23 D HN 0.692 nan 8.370 nan 0.000 0.496 24 T N -3.521 111.183 114.554 0.250 0.000 2.863 24 T HA 0.313 4.663 4.350 0.000 0.000 0.285 24 T C 0.392 175.319 174.700 0.378 0.000 1.009 24 T CA -1.018 61.251 62.100 0.280 0.000 0.989 24 T CB 1.605 70.562 68.868 0.150 0.000 1.004 24 T HN -0.070 nan 8.240 nan 0.000 0.455 25 F N 2.588 122.754 119.950 0.360 0.000 2.063 25 F HA -0.113 4.414 4.527 0.000 0.000 0.298 25 F C 1.862 177.710 175.800 0.080 0.000 1.109 25 F CA 1.840 60.012 58.000 0.286 0.000 1.212 25 F CB -0.648 38.524 39.000 0.287 0.000 0.973 25 F HN 0.584 nan 8.300 nan 0.000 0.480 26 L N 0.612 121.708 121.223 -0.212 0.000 2.129 26 L HA -0.199 4.141 4.340 0.000 0.000 0.212 26 L C 2.248 178.959 176.870 -0.265 0.000 1.087 26 L CA 1.922 56.582 54.840 -0.300 0.000 0.757 26 L CB -0.988 41.009 42.059 -0.103 0.000 0.896 26 L HN 0.240 nan 8.230 nan 0.000 0.434 27 E N -1.249 118.856 120.200 -0.158 0.000 2.046 27 E HA -0.255 4.095 4.350 0.000 0.000 0.190 27 E C 2.030 178.485 176.600 -0.240 0.000 0.982 27 E CA 1.090 57.400 56.400 -0.150 0.000 0.800 27 E CB -0.176 29.486 29.700 -0.063 0.000 0.756 27 E HN 0.678 nan 8.360 nan 0.000 0.449 28 H N 1.088 119.912 119.070 -0.411 0.000 2.261 28 H HA -0.169 4.387 4.556 0.000 0.000 0.290 28 H C 2.193 177.244 175.328 -0.461 0.000 1.081 28 H CA 2.398 58.100 56.048 -0.576 0.000 1.196 28 H CB -0.427 28.745 29.762 -0.982 0.000 1.350 28 H HN 0.037 nan 8.280 nan 0.000 0.498 29 M N -0.679 118.544 119.600 -0.629 0.000 2.088 29 M HA -0.289 4.191 4.480 0.000 0.000 0.256 29 M C 2.687 178.754 176.300 -0.388 0.000 1.071 29 M CA 1.979 56.948 55.300 -0.551 0.000 1.097 29 M CB -0.794 31.467 32.600 -0.564 0.000 1.315 29 M HN 0.468 nan 8.290 nan 0.000 0.406 30 C N -0.486 118.621 119.300 -0.321 0.000 2.409 30 C HA -0.138 4.322 4.460 0.000 0.000 0.284 30 C C 2.273 177.137 174.990 -0.212 0.000 1.354 30 C CA 0.870 59.754 59.018 -0.223 0.000 1.787 30 C CB -1.278 26.358 27.740 -0.173 0.000 1.900 30 C HN 0.414 nan 8.230 nan 0.000 0.520 31 R N -0.305 120.022 120.500 -0.288 0.000 2.466 31 R HA 0.275 4.615 4.340 0.000 0.000 0.279 31 R C -0.271 175.891 176.300 -0.230 0.000 0.976 31 R CA -0.180 55.757 56.100 -0.272 0.000 1.081 31 R CB 0.065 30.105 30.300 -0.433 0.000 1.215 31 R HN 0.465 nan 8.270 nan 0.000 0.546 32 L N 1.411 122.486 121.223 -0.248 0.000 2.361 32 L HA 0.125 4.465 4.340 0.000 0.000 0.278 32 L C -0.232 176.575 176.870 -0.106 0.000 1.113 32 L CA -0.051 54.668 54.840 -0.202 0.000 0.849 32 L CB 0.454 42.377 42.059 -0.227 0.000 1.155 32 L HN -0.079 nan 8.230 nan 0.000 0.452 33 D N 3.061 123.423 120.400 -0.064 0.000 2.381 33 D HA 0.208 4.848 4.640 0.000 0.000 0.235 33 D C 1.132 177.417 176.300 -0.026 0.000 1.068 33 D CA -0.513 53.469 54.000 -0.030 0.000 0.832 33 D CB 1.328 42.130 40.800 0.003 0.000 1.101 33 D HN 0.466 nan 8.370 nan 0.000 0.515 34 I N 0.506 121.060 120.570 -0.027 0.000 2.335 34 I HA -0.131 4.039 4.170 0.000 0.000 0.251 34 I C 0.185 176.295 176.117 -0.012 0.000 1.129 34 I CA 1.180 62.467 61.300 -0.020 0.000 1.402 34 I CB 0.067 38.055 38.000 -0.020 0.000 1.069 34 I HN 0.141 nan 8.210 nan 0.000 0.424 35 D N 1.623 122.017 120.400 -0.009 0.000 2.323 35 D HA 0.037 4.677 4.640 0.000 0.000 0.239 35 D C 0.458 176.758 176.300 0.000 0.000 1.129 35 D CA 0.371 54.368 54.000 -0.004 0.000 0.865 35 D CB 0.231 41.028 40.800 -0.005 0.000 0.913 35 D HN 0.205 nan 8.370 nan 0.000 0.517 36 S N 0.746 116.447 115.700 0.002 0.000 2.921 36 S HA 0.438 4.908 4.470 0.000 0.000 0.244 36 S C 0.163 174.769 174.600 0.011 0.000 1.291 36 S CA -0.672 57.534 58.200 0.010 0.000 1.010 36 S CB -0.002 63.208 63.200 0.017 0.000 1.255 36 S HN 0.275 nan 8.310 nan 0.000 0.492 37 A N 5.826 128.653 122.820 0.010 0.000 2.587 37 A HA 0.339 4.659 4.320 0.000 0.000 0.235 37 A C -2.187 175.406 177.584 0.015 0.000 1.044 37 A CA -0.397 51.647 52.037 0.011 0.000 0.754 37 A CB -0.236 18.772 19.000 0.013 0.000 0.968 37 A HN 0.499 nan 8.150 nan 0.000 0.509 38 P HA 0.436 nan 4.420 nan 0.000 0.279 38 P C 0.359 177.668 177.300 0.015 0.000 1.276 38 P CA -0.569 62.539 63.100 0.014 0.000 0.801 38 P CB 0.417 32.119 31.700 0.003 0.000 1.127 39 I N -2.669 117.909 120.570 0.013 0.000 3.394 39 I HA 0.206 4.376 4.170 0.000 0.000 0.264 39 I C 0.867 176.996 176.117 0.020 0.000 1.184 39 I CA -0.361 60.949 61.300 0.015 0.000 0.890 39 I CB -0.522 37.476 38.000 -0.004 0.000 1.619 39 I HN 0.149 nan 8.210 nan 0.000 0.820 40 T N 0.905 115.488 114.554 0.047 0.000 2.814 40 T HA 0.143 4.493 4.350 0.000 0.000 0.254 40 T C 1.088 175.838 174.700 0.083 0.000 1.037 40 T CA 0.816 62.988 62.100 0.119 0.000 1.143 40 T CB -0.407 68.622 68.868 0.268 0.000 0.866 40 T HN 0.745 nan 8.240 nan 0.000 0.431 41 A N 2.301 125.035 122.820 -0.144 0.000 2.511 41 A HA 0.371 4.691 4.320 0.000 0.000 0.242 41 A C 0.494 178.023 177.584 -0.092 0.000 1.069 41 A CA -0.107 51.735 52.037 -0.324 0.000 0.763 41 A CB 0.015 18.455 19.000 -0.933 0.000 1.001 41 A HN 0.302 nan 8.150 nan 0.000 0.498 42 R N 1.757 122.274 120.500 0.029 0.000 2.460 42 R HA 0.307 4.647 4.340 0.000 0.000 0.303 42 R C -0.485 175.877 176.300 0.103 0.000 0.968 42 R CA -0.305 55.845 56.100 0.083 0.000 0.889 42 R CB 0.765 31.171 30.300 0.178 0.000 1.123 42 R HN 0.929 nan 8.270 nan 0.000 0.455 43 N N 0.118 118.872 118.700 0.090 0.000 2.171 43 N HA 0.057 4.797 4.740 0.000 0.000 0.212 43 N C -1.010 174.564 175.510 0.108 0.000 1.184 43 N CA -0.130 52.983 53.050 0.104 0.000 0.888 43 N CB 1.205 39.749 38.487 0.095 0.000 1.038 43 N HN 0.416 nan 8.380 nan 0.000 0.517 44 T N 0.925 115.539 114.554 0.101 0.000 2.723 44 T HA 0.328 4.678 4.350 0.000 0.000 0.297 44 T C 0.854 175.613 174.700 0.099 0.000 0.925 44 T CA -0.708 61.444 62.100 0.087 0.000 1.030 44 T CB 0.988 69.901 68.868 0.074 0.000 0.905 44 T HN 0.172 nan 8.240 nan 0.000 0.502 45 G N 3.314 112.170 108.800 0.092 0.000 2.353 45 G HA2 0.371 4.332 3.960 0.000 0.000 0.239 45 G HA3 0.371 4.332 3.960 0.000 0.000 0.239 45 G C -0.170 174.776 174.900 0.076 0.000 1.295 45 G CA -0.481 44.680 45.100 0.101 0.000 0.884 45 G HN 0.791 nan 8.290 nan 0.000 0.537 46 I N 2.665 123.278 120.570 0.071 0.000 2.362 46 I HA 0.321 4.491 4.170 0.000 0.000 0.289 46 I C -0.233 175.907 176.117 0.038 0.000 0.994 46 I CA -0.486 60.849 61.300 0.058 0.000 1.158 46 I CB 1.765 39.805 38.000 0.066 0.000 1.315 46 I HN 0.231 nan 8.210 nan 0.000 0.451 47 I N 5.867 126.467 120.570 0.051 0.000 2.390 47 I HA 0.295 4.465 4.170 0.000 0.000 0.283 47 I C -0.434 175.726 176.117 0.072 0.000 1.016 47 I CA -0.375 60.965 61.300 0.066 0.000 1.151 47 I CB 1.440 39.501 38.000 0.101 0.000 1.293 47 I HN 0.564 nan 8.210 nan 0.000 0.458 48 C N 3.657 122.991 119.300 0.057 0.000 2.350 48 C HA 0.414 4.874 4.460 0.000 0.000 0.348 48 C C 0.891 175.920 174.990 0.065 0.000 1.260 48 C CA -0.599 58.455 59.018 0.058 0.000 1.966 48 C CB 0.645 28.412 27.740 0.044 0.000 2.380 48 C HN 0.630 nan 8.230 nan 0.000 0.535 49 T N 4.782 119.381 114.554 0.076 0.000 2.737 49 T HA 0.243 4.593 4.350 0.000 0.000 0.296 49 T C 0.239 174.983 174.700 0.073 0.000 0.922 49 T CA -0.157 61.992 62.100 0.082 0.000 1.079 49 T CB -0.089 68.837 68.868 0.095 0.000 0.892 49 T HN 0.352 nan 8.240 nan 0.000 0.514 50 I N 4.192 124.800 120.570 0.064 0.000 2.379 50 I HA 0.500 4.670 4.170 0.000 0.000 0.290 50 I C 0.989 177.160 176.117 0.089 0.000 1.063 50 I CA -0.050 61.283 61.300 0.055 0.000 1.351 50 I CB -0.042 37.972 38.000 0.023 0.000 1.410 50 I HN 0.802 nan 8.210 nan 0.000 0.505 51 G N 7.214 116.071 108.800 0.095 0.000 2.870 51 G HA2 0.553 4.513 3.960 0.000 0.000 0.299 51 G HA3 0.553 4.513 3.960 0.000 0.000 0.299 51 G C -2.428 172.546 174.900 0.123 0.000 1.324 51 G CA -0.528 44.662 45.100 0.149 0.000 0.808 51 G HN 0.264 nan 8.290 nan 0.000 0.535 52 P HA -0.187 nan 4.420 nan 0.000 0.216 52 P C 2.114 179.450 177.300 0.060 0.000 1.167 52 P CA 2.811 65.978 63.100 0.112 0.000 0.914 52 P CB -0.081 31.674 31.700 0.091 0.000 0.793 53 A N -0.466 122.381 122.820 0.045 0.000 2.076 53 A HA -0.115 4.205 4.320 0.000 0.000 0.220 53 A C 1.700 179.297 177.584 0.021 0.000 1.160 53 A CA 1.997 54.047 52.037 0.021 0.000 0.653 53 A CB -1.156 17.849 19.000 0.008 0.000 0.801 53 A HN 0.401 nan 8.150 nan 0.000 0.455 54 S N -2.406 113.313 115.700 0.032 0.000 2.668 54 S HA 0.440 4.911 4.470 0.000 0.000 0.244 54 S C 0.676 175.286 174.600 0.017 0.000 1.140 54 S CA -0.451 57.764 58.200 0.026 0.000 1.134 54 S CB 0.288 63.508 63.200 0.033 0.000 0.954 54 S HN 0.497 nan 8.310 nan 0.000 0.490 55 R N 1.062 121.570 120.500 0.013 0.000 2.254 55 R HA 0.236 4.576 4.340 0.000 0.000 0.193 55 R C 0.792 177.084 176.300 -0.014 0.000 0.929 55 R CA 0.319 56.413 56.100 -0.010 0.000 1.038 55 R CB 0.262 30.553 30.300 -0.015 0.000 1.009 55 R HN 0.481 nan 8.270 nan 0.000 0.512 56 S N 0.350 116.049 115.700 -0.002 0.000 2.537 56 S HA 0.000 4.470 4.470 0.000 0.000 0.286 56 S C 1.512 176.108 174.600 -0.008 0.000 1.299 56 S CA -0.440 57.757 58.200 -0.005 0.000 1.067 56 S CB 1.356 64.556 63.200 0.000 0.000 0.864 56 S HN 0.049 nan 8.310 nan 0.000 0.494 57 V N 4.663 124.567 119.914 -0.017 0.000 2.794 57 V HA -0.096 4.024 4.120 0.000 0.000 0.260 57 V C 2.467 178.549 176.094 -0.019 0.000 1.103 57 V CA 1.826 64.112 62.300 -0.024 0.000 1.125 57 V CB -0.985 30.815 31.823 -0.039 0.000 0.702 57 V HN 0.765 nan 8.190 nan 0.000 0.494 58 E N 0.793 120.987 120.200 -0.009 0.000 2.001 58 E HA -0.135 4.215 4.350 0.000 0.000 0.193 58 E C 2.481 179.091 176.600 0.018 0.000 0.994 58 E CA 2.004 58.406 56.400 0.002 0.000 0.815 58 E CB -1.011 28.692 29.700 0.004 0.000 0.770 58 E HN 0.686 nan 8.360 nan 0.000 0.453 59 T N 1.458 116.021 114.554 0.016 0.000 2.822 59 T HA -0.171 4.179 4.350 0.000 0.000 0.270 59 T C 1.880 176.599 174.700 0.032 0.000 1.064 59 T CA 0.860 62.974 62.100 0.023 0.000 1.131 59 T CB -0.174 68.703 68.868 0.016 0.000 0.858 59 T HN -0.062 nan 8.240 nan 0.000 0.483 60 L N 1.226 122.464 121.223 0.025 0.000 1.973 60 L HA 0.032 4.372 4.340 0.000 0.000 0.208 60 L C 2.547 179.459 176.870 0.070 0.000 1.073 60 L CA 1.610 56.470 54.840 0.033 0.000 0.746 60 L CB -0.793 41.275 42.059 0.015 0.000 0.891 60 L HN 0.114 nan 8.230 nan 0.000 0.433 61 K N -0.405 120.038 120.400 0.071 0.000 2.107 61 K HA -0.294 4.026 4.320 0.000 0.000 0.211 61 K C 2.061 178.794 176.600 0.222 0.000 1.049 61 K CA 1.884 58.269 56.287 0.164 0.000 0.927 61 K CB -0.301 32.242 32.500 0.070 0.000 0.714 61 K HN 0.265 nan 8.250 nan 0.000 0.452 62 E N 0.700 120.976 120.200 0.127 0.000 2.077 62 E HA -0.052 4.298 4.350 0.000 0.000 0.193 62 E C 1.946 178.590 176.600 0.072 0.000 0.989 62 E CA 1.077 57.536 56.400 0.098 0.000 0.800 62 E CB -0.007 29.734 29.700 0.068 0.000 0.746 62 E HN 0.221 nan 8.360 nan 0.000 0.452 63 M N -0.339 119.299 119.600 0.064 0.000 2.460 63 M HA -0.062 4.418 4.480 0.000 0.000 0.263 63 M C 1.763 178.083 176.300 0.034 0.000 1.071 63 M CA 0.798 56.123 55.300 0.041 0.000 1.096 63 M CB 0.009 32.632 32.600 0.039 0.000 1.408 63 M HN 0.200 nan 8.290 nan 0.000 0.463 64 I N -0.310 120.304 120.570 0.075 0.000 2.333 64 I HA -0.247 3.924 4.170 0.000 0.000 0.246 64 I C 2.395 178.512 176.117 -0.000 0.000 1.106 64 I CA 1.129 62.469 61.300 0.067 0.000 1.411 64 I CB -0.303 37.821 38.000 0.207 0.000 1.082 64 I HN 0.270 nan 8.210 nan 0.000 0.420 65 K N 0.390 120.795 120.400 0.008 0.000 2.057 65 K HA -0.114 4.206 4.320 0.000 0.000 0.206 65 K C 2.192 178.747 176.600 -0.074 0.000 1.050 65 K CA 1.249 57.501 56.287 -0.060 0.000 0.935 65 K CB 0.026 32.522 32.500 -0.008 0.000 0.715 65 K HN 0.092 nan 8.250 nan 0.000 0.439 66 S N -0.961 114.707 115.700 -0.054 0.000 2.481 66 S HA 0.001 4.471 4.470 0.000 0.000 0.231 66 S C 0.734 175.217 174.600 -0.194 0.000 0.996 66 S CA 0.984 59.129 58.200 -0.091 0.000 0.942 66 S CB 0.457 63.641 63.200 -0.027 0.000 0.768 66 S HN 0.600 nan 8.310 nan 0.000 0.520 67 G N 1.051 109.764 108.800 -0.145 0.000 2.414 67 G HA2 -0.105 3.855 3.960 0.000 0.000 0.191 67 G HA3 -0.105 3.855 3.960 0.000 0.000 0.191 67 G C -0.385 174.482 174.900 -0.056 0.000 1.082 67 G CA -0.487 44.518 45.100 -0.159 0.000 0.785 67 G HN 0.301 nan 8.290 nan 0.000 0.484 68 M N -0.397 119.176 119.600 -0.045 0.000 2.513 68 M HA 0.626 5.106 4.480 0.000 0.000 0.291 68 M C 1.131 177.373 176.300 -0.097 0.000 1.190 68 M CA -0.177 55.096 55.300 -0.044 0.000 0.960 68 M CB 1.024 33.606 32.600 -0.030 0.000 1.517 68 M HN 0.245 nan 8.290 nan 0.000 0.499 69 N N -1.222 117.379 118.700 -0.165 0.000 2.011 69 N HA 0.185 4.925 4.740 0.000 0.000 0.254 69 N C -1.420 173.797 175.510 -0.489 0.000 1.205 69 N CA -0.366 52.420 53.050 -0.440 0.000 0.783 69 N CB 1.056 39.398 38.487 -0.242 0.000 1.472 69 N HN 0.257 nan 8.380 nan 0.000 0.524 70 V N 0.723 120.519 119.914 -0.196 0.000 2.841 70 V HA 0.839 4.959 4.120 0.000 0.000 0.310 70 V C -1.128 174.940 176.094 -0.042 0.000 1.090 70 V CA -1.179 61.054 62.300 -0.111 0.000 0.930 70 V CB 1.846 33.666 31.823 -0.006 0.000 1.014 70 V HN 0.197 nan 8.190 nan 0.000 0.425 71 A N 3.643 126.436 122.820 -0.045 0.000 2.287 71 A HA 0.741 5.061 4.320 0.000 0.000 0.317 71 A C -0.180 177.379 177.584 -0.042 0.000 1.220 71 A CA -0.597 51.423 52.037 -0.028 0.000 0.835 71 A CB 0.687 19.667 19.000 -0.033 0.000 1.180 71 A HN 0.764 nan 8.150 nan 0.000 0.500 72 R N 3.155 123.653 120.500 -0.003 0.000 2.229 72 R HA 0.509 4.849 4.340 0.000 0.000 0.328 72 R C -1.305 174.987 176.300 -0.013 0.000 1.009 72 R CA -0.449 55.641 56.100 -0.018 0.000 0.864 72 R CB 0.754 31.116 30.300 0.104 0.000 1.085 72 R HN 0.747 nan 8.270 nan 0.000 0.453 73 M N 4.104 123.669 119.600 -0.059 0.000 2.055 73 M HA 0.194 4.674 4.480 0.000 0.000 0.346 73 M C -0.456 175.875 176.300 0.051 0.000 1.074 73 M CA -0.339 54.951 55.300 -0.017 0.000 1.009 73 M CB 0.825 33.439 32.600 0.024 0.000 1.423 73 M HN 0.309 nan 8.290 nan 0.000 0.410 74 N N 2.599 121.332 118.700 0.055 0.000 2.402 74 N HA 0.112 4.852 4.740 0.000 0.000 0.252 74 N C -0.322 175.259 175.510 0.119 0.000 1.118 74 N CA 0.212 53.328 53.050 0.110 0.000 0.945 74 N CB 0.286 38.832 38.487 0.098 0.000 1.147 74 N HN 0.489 nan 8.380 nan 0.000 0.495 75 F N 1.019 120.936 119.950 -0.054 0.000 2.797 75 F HA 0.129 4.656 4.527 0.000 0.000 0.302 75 F C 2.046 177.905 175.800 0.099 0.000 1.130 75 F CA 0.093 58.126 58.000 0.054 0.000 1.387 75 F CB 0.093 39.098 39.000 0.010 0.000 1.107 75 F HN 0.435 nan 8.300 nan 0.000 0.577 76 S N -1.485 114.287 115.700 0.120 0.000 2.555 76 S HA -0.016 4.454 4.470 0.000 0.000 0.230 76 S C 0.260 174.842 174.600 -0.030 0.000 0.978 76 S CA 0.610 58.793 58.200 -0.028 0.000 0.934 76 S CB -0.473 62.594 63.200 -0.221 0.000 0.766 76 S HN 0.455 nan 8.310 nan 0.000 0.533 77 H N -1.826 117.321 119.070 0.128 0.000 2.960 77 H HA 0.553 5.109 4.556 0.000 0.000 0.338 77 H C 0.412 175.761 175.328 0.036 0.000 1.261 77 H CA -0.595 55.489 56.048 0.060 0.000 1.136 77 H CB 1.468 31.253 29.762 0.039 0.000 1.875 77 H HN 0.234 nan 8.280 nan 0.000 0.550 78 G N 0.186 108.995 108.800 0.015 0.000 2.855 78 G HA2 -0.125 3.835 3.960 0.000 0.000 0.352 78 G HA3 -0.125 3.835 3.960 0.000 0.000 0.352 78 G C -0.268 174.468 174.900 -0.274 0.000 1.415 78 G CA -0.080 44.857 45.100 -0.271 0.000 0.871 78 G HN 0.750 nan 8.290 nan 0.000 0.543 79 T N -2.546 111.773 114.554 -0.393 0.000 2.887 79 T HA 0.624 4.974 4.350 0.000 0.000 0.288 79 T C 1.434 175.949 174.700 -0.309 0.000 1.021 79 T CA 0.562 62.512 62.100 -0.249 0.000 1.000 79 T CB 1.244 70.007 68.868 -0.174 0.000 1.034 79 T HN 0.713 nan 8.240 nan 0.000 0.467 80 H N 1.511 120.353 119.070 -0.379 0.000 2.297 80 H HA -0.229 4.327 4.556 0.000 0.000 0.289 80 H C 1.895 177.035 175.328 -0.314 0.000 1.105 80 H CA 2.411 58.130 56.048 -0.547 0.000 1.219 80 H CB 0.265 29.661 29.762 -0.610 0.000 1.351 80 H HN 0.855 nan 8.280 nan 0.000 0.481 81 E N 0.366 120.549 120.200 -0.028 0.000 2.338 81 E HA -0.192 4.159 4.350 0.000 0.000 0.197 81 E C 1.843 178.461 176.600 0.030 0.000 1.007 81 E CA 1.040 57.457 56.400 0.028 0.000 0.849 81 E CB -0.382 29.341 29.700 0.039 0.000 0.774 81 E HN 0.585 nan 8.360 nan 0.000 0.506 82 Y N 1.025 121.201 120.300 -0.207 0.000 2.269 82 Y HA -0.067 4.483 4.550 0.000 0.000 0.294 82 Y C 1.938 177.747 175.900 -0.152 0.000 1.120 82 Y CA 1.602 59.566 58.100 -0.226 0.000 1.159 82 Y CB -0.126 38.105 38.460 -0.381 0.000 1.024 82 Y HN 0.051 nan 8.280 nan 0.000 0.532 83 H N -0.096 118.929 119.070 -0.075 0.000 2.299 83 H HA -0.003 4.553 4.556 0.000 0.000 0.302 83 H C 2.372 177.737 175.328 0.062 0.000 1.078 83 H CA 1.308 57.293 56.048 -0.105 0.000 1.323 83 H CB -1.118 28.530 29.762 -0.189 0.000 1.381 83 H HN 0.415 nan 8.280 nan 0.000 0.498 84 A N 1.058 124.090 122.820 0.354 0.000 2.194 84 A HA -0.179 4.141 4.320 0.000 0.000 0.220 84 A C 2.258 179.922 177.584 0.133 0.000 1.162 84 A CA 1.500 53.748 52.037 0.352 0.000 0.674 84 A CB -0.295 18.986 19.000 0.468 0.000 0.789 84 A HN 0.449 nan 8.150 nan 0.000 0.470 85 E N -1.191 119.035 120.200 0.043 0.000 2.057 85 E HA -0.069 4.281 4.350 0.000 0.000 0.190 85 E C 2.043 178.606 176.600 -0.063 0.000 0.969 85 E CA 1.163 57.548 56.400 -0.024 0.000 0.812 85 E CB -0.135 29.523 29.700 -0.071 0.000 0.777 85 E HN 0.554 nan 8.360 nan 0.000 0.455 86 T N 2.507 116.979 114.554 -0.138 0.000 2.624 86 T HA -0.213 4.137 4.350 0.000 0.000 0.268 86 T C 2.009 176.680 174.700 -0.048 0.000 1.041 86 T CA 1.365 63.380 62.100 -0.140 0.000 1.159 86 T CB -0.327 68.430 68.868 -0.185 0.000 0.863 86 T HN 0.126 nan 8.240 nan 0.000 0.434 87 I N 1.109 121.680 120.570 0.002 0.000 2.052 87 I HA -0.295 3.875 4.170 0.000 0.000 0.235 87 I C 2.692 178.807 176.117 -0.004 0.000 1.046 87 I CA 1.873 63.180 61.300 0.012 0.000 1.308 87 I CB -0.660 37.365 38.000 0.042 0.000 1.031 87 I HN 0.287 nan 8.210 nan 0.000 0.395 88 K N 1.374 121.775 120.400 0.002 0.000 2.127 88 K HA -0.294 4.026 4.320 0.000 0.000 0.212 88 K C 1.718 178.309 176.600 -0.016 0.000 1.050 88 K CA 2.390 58.674 56.287 -0.005 0.000 0.929 88 K CB -0.378 32.123 32.500 0.002 0.000 0.715 88 K HN 0.479 nan 8.250 nan 0.000 0.457 89 N N -0.135 118.551 118.700 -0.024 0.000 2.106 89 N HA -0.135 4.605 4.740 0.000 0.000 0.188 89 N C 1.934 177.430 175.510 -0.023 0.000 1.029 89 N CA 1.473 54.506 53.050 -0.029 0.000 0.848 89 N CB -0.039 38.424 38.487 -0.039 0.000 1.007 89 N HN 0.030 nan 8.380 nan 0.000 0.423 90 V N 2.177 122.081 119.914 -0.017 0.000 2.233 90 V HA -0.243 3.877 4.120 0.000 0.000 0.247 90 V C 2.185 178.282 176.094 0.005 0.000 1.050 90 V CA 1.630 63.926 62.300 -0.005 0.000 1.010 90 V CB -0.625 31.194 31.823 -0.006 0.000 0.637 90 V HN 0.299 nan 8.190 nan 0.000 0.444 91 R N -0.270 120.233 120.500 0.004 0.000 2.185 91 R HA -0.181 4.159 4.340 0.000 0.000 0.247 91 R C 2.305 178.609 176.300 0.006 0.000 1.159 91 R CA 1.850 57.959 56.100 0.015 0.000 0.988 91 R CB -0.854 29.448 30.300 0.003 0.000 0.871 91 R HN 0.531 nan 8.270 nan 0.000 0.458 92 T N 0.904 115.447 114.554 -0.018 0.000 2.612 92 T HA -0.098 4.252 4.350 0.000 0.000 0.259 92 T C 2.009 176.661 174.700 -0.080 0.000 1.065 92 T CA 1.473 63.546 62.100 -0.045 0.000 1.167 92 T CB -0.336 68.503 68.868 -0.050 0.000 0.863 92 T HN 0.403 nan 8.240 nan 0.000 0.407 93 A N 0.968 123.736 122.820 -0.088 0.000 1.927 93 A HA -0.210 4.110 4.320 0.000 0.000 0.220 93 A C 2.515 179.993 177.584 -0.176 0.000 1.185 93 A CA 2.561 54.498 52.037 -0.166 0.000 0.639 93 A CB -1.511 17.444 19.000 -0.075 0.000 0.820 93 A HN 0.517 nan 8.150 nan 0.000 0.451 94 T N -0.010 114.553 114.554 0.016 0.000 2.665 94 T HA -0.145 4.205 4.350 0.000 0.000 0.268 94 T C 1.476 176.338 174.700 0.271 0.000 1.035 94 T CA 1.723 63.933 62.100 0.184 0.000 1.151 94 T CB -0.246 68.720 68.868 0.164 0.000 0.862 94 T HN 0.614 nan 8.240 nan 0.000 0.438 95 E N 0.813 121.064 120.200 0.084 0.000 2.479 95 E HA 0.096 4.446 4.350 0.000 0.000 0.193 95 E C 2.009 178.545 176.600 -0.106 0.000 1.049 95 E CA 0.056 56.461 56.400 0.007 0.000 0.870 95 E CB 0.061 29.743 29.700 -0.030 0.000 0.944 95 E HN 0.497 nan 8.360 nan 0.000 0.492 96 S N -0.052 115.512 115.700 -0.226 0.000 2.603 96 S HA -0.039 4.431 4.470 0.000 0.000 0.229 96 S C 0.852 175.235 174.600 -0.362 0.000 0.972 96 S CA 0.305 58.286 58.200 -0.364 0.000 0.935 96 S CB -0.232 62.619 63.200 -0.580 0.000 0.769 96 S HN 0.089 nan 8.310 nan 0.000 0.536 97 F N 0.535 120.522 119.950 0.062 0.000 2.683 97 F HA 0.587 5.114 4.527 0.000 0.000 0.306 97 F C 1.620 177.417 175.800 -0.005 0.000 1.102 97 F CA -0.794 57.264 58.000 0.096 0.000 1.244 97 F CB -0.184 38.947 39.000 0.219 0.000 1.029 97 F HN 0.264 nan 8.300 nan 0.000 0.545 98 A N -0.343 122.417 122.820 -0.100 0.000 2.265 98 A HA 0.106 4.426 4.320 0.000 0.000 0.213 98 A C 1.815 179.319 177.584 -0.134 0.000 1.255 98 A CA 0.957 52.775 52.037 -0.366 0.000 0.862 98 A CB -0.839 17.873 19.000 -0.480 0.000 0.852 98 A HN 0.274 nan 8.150 nan 0.000 0.484 99 S N -0.418 115.273 115.700 -0.014 0.000 2.377 99 S HA -0.019 4.451 4.470 0.000 0.000 0.223 99 S C 0.484 175.100 174.600 0.026 0.000 1.030 99 S CA 0.427 58.634 58.200 0.011 0.000 0.970 99 S CB -0.010 63.214 63.200 0.040 0.000 0.830 99 S HN 0.506 nan 8.310 nan 0.000 0.473 100 D N 2.365 122.802 120.400 0.061 0.000 2.477 100 D HA 0.327 4.967 4.640 0.000 0.000 0.239 100 D C -2.052 174.305 176.300 0.096 0.000 1.102 100 D CA -2.214 51.826 54.000 0.067 0.000 0.901 100 D CB 1.457 42.304 40.800 0.078 0.000 1.026 100 D HN 0.022 nan 8.370 nan 0.000 0.515 101 P HA -0.149 nan 4.420 nan 0.000 0.223 101 P C 1.412 178.788 177.300 0.126 0.000 1.140 101 P CA 0.544 63.710 63.100 0.110 0.000 0.783 101 P CB 0.588 32.328 31.700 0.067 0.000 0.759 102 I N -1.583 119.038 120.570 0.085 0.000 2.270 102 I HA -0.064 4.106 4.170 0.000 0.000 0.239 102 I C 2.032 178.186 176.117 0.061 0.000 1.080 102 I CA 0.819 62.149 61.300 0.051 0.000 1.383 102 I CB -1.679 36.325 38.000 0.007 0.000 1.097 102 I HN -0.110 nan 8.210 nan 0.000 0.420 103 L N -0.380 120.882 121.223 0.065 0.000 2.599 103 L HA -0.043 4.297 4.340 0.000 0.000 0.230 103 L C 0.192 177.129 176.870 0.111 0.000 1.141 103 L CA 0.405 55.272 54.840 0.044 0.000 0.877 103 L CB -1.002 41.053 42.059 -0.007 0.000 1.009 103 L HN 0.126 nan 8.230 nan 0.000 0.447 104 Y N 0.869 121.202 120.300 0.055 0.000 2.336 104 Y HA 0.429 4.979 4.550 0.000 0.000 0.335 104 Y C 0.257 176.219 175.900 0.103 0.000 1.046 104 Y CA -0.984 57.176 58.100 0.101 0.000 1.198 104 Y CB 0.313 38.850 38.460 0.128 0.000 1.182 104 Y HN -0.039 nan 8.280 nan 0.000 0.502 105 R N 8.051 128.390 120.500 -0.268 0.000 2.265 105 R HA 0.404 4.744 4.340 0.000 0.000 0.328 105 R C -2.469 173.460 176.300 -0.619 0.000 0.969 105 R CA -1.874 54.004 56.100 -0.370 0.000 0.832 105 R CB 0.974 31.179 30.300 -0.158 0.000 1.139 105 R HN 0.502 nan 8.270 nan 0.000 0.457 106 P HA 0.144 nan 4.420 nan 0.000 0.273 106 P C -0.815 176.448 177.300 -0.061 0.000 1.250 106 P CA -0.350 62.542 63.100 -0.345 0.000 0.793 106 P CB 0.794 32.425 31.700 -0.114 0.000 1.011 107 V N -0.637 119.271 119.914 -0.011 0.000 3.049 107 V HA 0.708 4.828 4.120 0.000 0.000 0.309 107 V C -0.175 175.885 176.094 -0.056 0.000 1.148 107 V CA -0.948 61.286 62.300 -0.109 0.000 0.990 107 V CB 1.948 33.731 31.823 -0.066 0.000 1.039 107 V HN 0.725 nan 8.190 nan 0.000 0.430 108 A N 2.084 124.825 122.820 -0.132 0.000 2.311 108 A HA 0.927 5.247 4.320 0.000 0.000 0.334 108 A C -0.892 176.662 177.584 -0.049 0.000 1.139 108 A CA -0.630 51.388 52.037 -0.033 0.000 0.830 108 A CB 1.686 20.697 19.000 0.019 0.000 1.234 108 A HN 0.905 nan 8.150 nan 0.000 0.483 109 V N 0.818 120.705 119.914 -0.044 0.000 2.376 109 V HA 0.656 4.776 4.120 0.000 0.000 0.287 109 V C 0.237 176.246 176.094 -0.142 0.000 1.015 109 V CA -0.256 61.996 62.300 -0.079 0.000 0.834 109 V CB 0.682 32.467 31.823 -0.065 0.000 1.001 109 V HN 1.196 nan 8.190 nan 0.000 0.428 110 A N 5.063 127.741 122.820 -0.237 0.000 2.350 110 A HA 0.880 5.200 4.320 0.000 0.000 0.324 110 A C -0.932 176.355 177.584 -0.496 0.000 1.118 110 A CA -0.620 51.119 52.037 -0.497 0.000 0.783 110 A CB 1.563 20.027 19.000 -0.894 0.000 1.236 110 A HN 0.905 nan 8.150 nan 0.000 0.457 111 L N 2.073 122.987 121.223 -0.516 0.000 2.276 111 L HA 0.399 4.739 4.340 0.000 0.000 0.286 111 L C -0.974 175.685 176.870 -0.352 0.000 1.024 111 L CA -0.529 54.077 54.840 -0.389 0.000 0.826 111 L CB 0.979 42.784 42.059 -0.423 0.000 1.211 111 L HN 0.692 nan 8.230 nan 0.000 0.422 112 D N 3.749 124.046 120.400 -0.171 0.000 2.500 112 D HA 0.102 4.742 4.640 0.000 0.000 0.219 112 D C 0.064 176.398 176.300 0.057 0.000 1.137 112 D CA -0.037 53.974 54.000 0.018 0.000 0.946 112 D CB 0.728 41.610 40.800 0.137 0.000 1.022 112 D HN 0.419 nan 8.370 nan 0.000 0.518 113 T N 2.138 116.696 114.554 0.007 0.000 2.939 113 T HA -0.111 4.239 4.350 0.000 0.000 0.312 113 T C 1.440 176.185 174.700 0.075 0.000 1.064 113 T CA 0.469 62.579 62.100 0.017 0.000 1.136 113 T CB 0.799 69.674 68.868 0.012 0.000 1.035 113 T HN 0.414 nan 8.240 nan 0.000 0.538 114 K N 2.524 122.979 120.400 0.091 0.000 2.031 114 K HA 0.136 4.456 4.320 0.000 0.000 0.205 114 K C 0.993 177.613 176.600 0.032 0.000 1.049 114 K CA 1.051 57.380 56.287 0.071 0.000 0.939 114 K CB -0.461 32.096 32.500 0.095 0.000 0.717 114 K HN 0.953 nan 8.250 nan 0.000 0.438 115 G N 0.933 109.755 108.800 0.037 0.000 2.746 115 G HA2 -0.161 3.799 3.960 0.000 0.000 0.685 115 G HA3 -0.161 3.799 3.960 0.000 0.000 0.685 115 G C -2.792 172.091 174.900 -0.029 0.000 1.350 115 G CA -0.521 44.588 45.100 0.016 0.000 0.837 115 G HN 0.225 nan 8.290 nan 0.000 0.564 116 P HA 0.431 nan 4.420 nan 0.000 0.272 116 P C -0.038 177.150 177.300 -0.186 0.000 1.223 116 P CA 0.123 63.178 63.100 -0.075 0.000 0.784 116 P CB 0.844 32.517 31.700 -0.044 0.000 0.923 117 E N 0.584 120.697 120.200 -0.146 0.000 2.460 117 E HA 0.635 4.985 4.350 0.000 0.000 0.277 117 E C -0.840 175.673 176.600 -0.144 0.000 1.010 117 E CA -0.888 55.397 56.400 -0.191 0.000 0.838 117 E CB 1.343 30.965 29.700 -0.131 0.000 1.448 117 E HN 0.224 nan 8.360 nan 0.000 0.462 118 I N 1.122 121.606 120.570 -0.143 0.000 2.418 118 I HA 0.494 4.664 4.170 0.000 0.000 0.287 118 I C -0.589 175.510 176.117 -0.031 0.000 1.008 118 I CA -0.970 60.276 61.300 -0.089 0.000 1.104 118 I CB 1.154 39.078 38.000 -0.127 0.000 1.264 118 I HN 0.195 nan 8.210 nan 0.000 0.438 119 R N 3.259 123.768 120.500 0.015 0.000 2.686 119 R HA 0.516 4.856 4.340 0.000 0.000 0.283 119 R C -0.330 176.037 176.300 0.112 0.000 0.978 119 R CA -0.683 55.456 56.100 0.066 0.000 0.897 119 R CB 2.473 32.831 30.300 0.097 0.000 1.192 119 R HN 0.751 nan 8.270 nan 0.000 0.457 120 T N -1.264 113.372 114.554 0.138 0.000 2.788 120 T HA 0.455 4.805 4.350 0.000 0.000 0.287 120 T C 0.955 175.856 174.700 0.334 0.000 1.007 120 T CA -0.460 61.768 62.100 0.213 0.000 1.005 120 T CB 1.167 70.129 68.868 0.156 0.000 1.012 120 T HN 0.559 nan 8.240 nan 0.000 0.530 121 G N -0.229 108.837 108.800 0.444 0.000 2.509 121 G HA2 0.518 4.478 3.960 0.000 0.000 0.269 121 G HA3 0.518 4.478 3.960 0.000 0.000 0.269 121 G C -0.682 174.297 174.900 0.131 0.000 1.416 121 G CA -0.936 44.340 45.100 0.295 0.000 1.052 121 G HN 0.619 nan 8.290 nan 0.000 0.542 122 L N 0.007 121.253 121.223 0.038 0.000 2.417 122 L HA 0.344 4.684 4.340 0.000 0.000 0.268 122 L C 0.462 177.357 176.870 0.042 0.000 1.158 122 L CA -0.265 54.590 54.840 0.026 0.000 0.819 122 L CB 1.223 43.271 42.059 -0.018 0.000 1.112 122 L HN 0.214 nan 8.230 nan 0.000 0.458 123 I N 4.016 124.612 120.570 0.043 0.000 2.315 123 I HA 0.113 4.283 4.170 0.000 0.000 0.291 123 I C 0.741 176.878 176.117 0.033 0.000 1.006 123 I CA -0.523 60.807 61.300 0.050 0.000 1.265 123 I CB 0.570 38.605 38.000 0.058 0.000 1.387 123 I HN 0.623 nan 8.210 nan 0.000 0.475 124 K N 4.540 124.961 120.400 0.036 0.000 3.016 124 K HA -0.248 4.072 4.320 0.000 0.000 0.262 124 K C 0.925 177.530 176.600 0.008 0.000 1.043 124 K CA 0.676 56.977 56.287 0.024 0.000 0.761 124 K CB -1.180 31.335 32.500 0.024 0.000 1.230 124 K HN 1.167 nan 8.250 nan 0.000 0.485 125 G N -0.910 107.889 108.800 -0.001 0.000 2.184 125 G HA2 -0.361 3.599 3.960 0.000 0.000 0.264 125 G HA3 -0.361 3.599 3.960 0.000 0.000 0.264 125 G C -0.050 174.840 174.900 -0.015 0.000 0.975 125 G CA 0.695 45.785 45.100 -0.017 0.000 0.642 125 G HN 0.803 nan 8.290 nan 0.000 0.536 126 S N -1.346 114.351 115.700 -0.005 0.000 2.677 126 S HA 0.734 5.204 4.470 0.000 0.000 0.304 126 S C 1.055 175.656 174.600 0.002 0.000 1.108 126 S CA 0.531 58.728 58.200 -0.005 0.000 0.944 126 S CB 1.842 65.039 63.200 -0.005 0.000 1.127 126 S HN 1.364 nan 8.310 nan 0.000 0.511 127 G N -0.150 108.650 108.800 -0.001 0.000 3.324 127 G HA2 0.228 4.188 3.960 0.000 0.000 0.251 127 G HA3 0.228 4.188 3.960 0.000 0.000 0.251 127 G C 0.662 175.564 174.900 0.004 0.000 1.072 127 G CA 0.456 45.560 45.100 0.006 0.000 0.787 127 G HN 0.881 nan 8.290 nan 0.000 0.537 128 T N -2.447 112.107 114.554 -0.001 0.000 3.004 128 T HA 0.591 4.941 4.350 0.000 0.000 0.266 128 T C 1.179 175.874 174.700 -0.008 0.000 0.986 128 T CA 0.427 62.522 62.100 -0.007 0.000 0.902 128 T CB 0.909 69.768 68.868 -0.015 0.000 1.118 128 T HN 0.293 nan 8.240 nan 0.000 0.522 129 A N 1.309 124.129 122.820 0.000 0.000 2.346 129 A HA 0.653 4.973 4.320 0.000 0.000 0.252 129 A C 0.068 177.662 177.584 0.016 0.000 1.089 129 A CA -0.320 51.719 52.037 0.003 0.000 0.797 129 A CB 0.383 19.389 19.000 0.010 0.000 1.047 129 A HN 0.473 nan 8.150 nan 0.000 0.494 130 E N -1.126 119.085 120.200 0.018 0.000 2.392 130 E HA 0.546 4.896 4.350 0.000 0.000 0.279 130 E C -1.946 174.712 176.600 0.097 0.000 0.964 130 E CA -0.624 55.809 56.400 0.055 0.000 0.777 130 E CB 2.486 32.185 29.700 -0.002 0.000 1.249 130 E HN 0.391 nan 8.360 nan 0.000 0.449 131 V N 1.396 121.421 119.914 0.184 0.000 2.876 131 V HA 0.232 4.352 4.120 0.000 0.000 0.312 131 V C -1.005 175.277 176.094 0.313 0.000 1.085 131 V CA -0.562 61.857 62.300 0.199 0.000 0.945 131 V CB 2.125 34.019 31.823 0.118 0.000 1.017 131 V HN 0.616 nan 8.190 nan 0.000 0.428 132 E N 4.518 124.875 120.200 0.260 0.000 2.081 132 E HA 0.383 4.733 4.350 0.000 0.000 0.281 132 E C -1.249 175.312 176.600 -0.066 0.000 0.986 132 E CA -0.418 56.009 56.400 0.045 0.000 0.796 132 E CB 0.891 30.672 29.700 0.134 0.000 1.085 132 E HN 0.506 nan 8.360 nan 0.000 0.398 133 L N 4.943 126.081 121.223 -0.142 0.000 2.281 133 L HA 0.323 4.663 4.340 0.000 0.000 0.285 133 L C 0.433 177.222 176.870 -0.136 0.000 1.074 133 L CA -0.174 54.608 54.840 -0.097 0.000 0.817 133 L CB 0.786 42.800 42.059 -0.075 0.000 1.168 133 L HN 0.256 nan 8.230 nan 0.000 0.434 134 K N 3.198 123.545 120.400 -0.089 0.000 2.123 134 K HA 0.325 4.645 4.320 0.000 0.000 0.259 134 K C -0.227 176.333 176.600 -0.066 0.000 0.960 134 K CA -0.968 55.267 56.287 -0.087 0.000 0.872 134 K CB 1.780 34.245 32.500 -0.058 0.000 1.079 134 K HN 0.377 nan 8.250 nan 0.000 0.440 135 K N 0.574 120.934 120.400 -0.066 0.000 2.485 135 K HA -0.080 4.240 4.320 0.000 0.000 0.277 135 K C 0.790 177.369 176.600 -0.034 0.000 0.990 135 K CA 1.523 57.780 56.287 -0.050 0.000 0.994 135 K CB 0.391 32.861 32.500 -0.050 0.000 0.906 135 K HN 0.888 nan 8.250 nan 0.000 0.488 136 G N 1.753 110.538 108.800 -0.026 0.000 2.268 136 G HA2 -0.312 3.648 3.960 0.000 0.000 0.240 136 G HA3 -0.312 3.648 3.960 0.000 0.000 0.240 136 G C 0.187 175.079 174.900 -0.013 0.000 1.010 136 G CA 0.205 45.295 45.100 -0.017 0.000 0.618 136 G HN 0.921 nan 8.290 nan 0.000 0.516 137 A N 0.390 123.199 122.820 -0.018 0.000 2.445 137 A HA 0.617 4.937 4.320 0.000 0.000 0.242 137 A C 0.671 178.250 177.584 -0.008 0.000 1.075 137 A CA 1.397 53.427 52.037 -0.013 0.000 0.777 137 A CB 0.311 19.300 19.000 -0.017 0.000 1.013 137 A HN 0.750 nan 8.150 nan 0.000 0.493 138 T N 1.501 116.053 114.554 -0.004 0.000 2.845 138 T HA 0.506 4.856 4.350 0.000 0.000 0.288 138 T C -0.685 174.015 174.700 -0.001 0.000 0.980 138 T CA 0.102 62.203 62.100 0.001 0.000 1.071 138 T CB 0.592 69.464 68.868 0.005 0.000 0.941 138 T HN 0.554 nan 8.240 nan 0.000 0.487 139 L N 3.507 124.733 121.223 0.005 0.000 2.438 139 L HA 0.534 4.875 4.340 0.000 0.000 0.270 139 L C -0.555 176.322 176.870 0.012 0.000 0.972 139 L CA -0.603 54.239 54.840 0.004 0.000 0.831 139 L CB 1.604 43.668 42.059 0.008 0.000 1.273 139 L HN 0.461 nan 8.230 nan 0.000 0.405 140 K N 5.679 126.076 120.400 -0.005 0.000 2.156 140 K HA 0.570 4.890 4.320 0.000 0.000 0.271 140 K C -1.169 175.439 176.600 0.014 0.000 0.995 140 K CA -0.495 55.798 56.287 0.010 0.000 0.890 140 K CB 0.902 33.372 32.500 -0.051 0.000 1.073 140 K HN 0.709 nan 8.250 nan 0.000 0.454 141 I N 3.549 124.154 120.570 0.058 0.000 2.392 141 I HA 0.239 4.409 4.170 0.000 0.000 0.295 141 I C 0.012 176.168 176.117 0.066 0.000 0.985 141 I CA -0.590 60.738 61.300 0.047 0.000 1.221 141 I CB 2.009 40.032 38.000 0.038 0.000 1.366 141 I HN 0.762 nan 8.210 nan 0.000 0.467 142 T N 3.138 117.719 114.554 0.045 0.000 2.887 142 T HA 0.658 5.008 4.350 0.000 0.000 0.292 142 T C 0.005 174.689 174.700 -0.026 0.000 1.087 142 T CA -0.746 61.401 62.100 0.078 0.000 1.009 142 T CB 1.959 70.908 68.868 0.135 0.000 1.203 142 T HN 0.444 nan 8.240 nan 0.000 0.518 143 L N -0.791 120.454 121.223 0.037 0.000 3.184 143 L HA 0.425 4.765 4.340 0.000 0.000 0.283 143 L C 0.248 177.286 176.870 0.280 0.000 1.218 143 L CA -0.516 54.284 54.840 -0.066 0.000 1.028 143 L CB 0.392 42.391 42.059 -0.099 0.000 1.400 143 L HN 0.608 nan 8.230 nan 0.000 0.591 144 D N 1.269 121.922 120.400 0.422 0.000 2.325 144 D HA 0.072 4.712 4.640 0.000 0.000 0.251 144 D C 0.467 177.057 176.300 0.484 0.000 1.196 144 D CA 0.043 54.281 54.000 0.396 0.000 0.866 144 D CB 0.983 42.019 40.800 0.392 0.000 1.101 144 D HN 0.213 nan 8.370 nan 0.000 0.476 145 N N 2.271 121.165 118.700 0.324 0.000 2.573 145 N HA -0.108 4.632 4.740 0.000 0.000 0.187 145 N C 1.596 177.022 175.510 -0.140 0.000 1.107 145 N CA 0.511 53.607 53.050 0.078 0.000 0.918 145 N CB 0.235 38.766 38.487 0.073 0.000 0.966 145 N HN 0.422 nan 8.380 nan 0.000 0.448 146 A N 0.303 123.065 122.820 -0.096 0.000 1.933 146 A HA -0.147 4.173 4.320 0.000 0.000 0.218 146 A C 1.228 178.592 177.584 -0.367 0.000 1.175 146 A CA 1.134 53.009 52.037 -0.270 0.000 0.628 146 A CB -0.598 18.180 19.000 -0.369 0.000 0.814 146 A HN 0.375 nan 8.150 nan 0.000 0.444 147 Y N -1.003 119.245 120.300 -0.088 0.000 2.511 147 Y HA 0.123 4.673 4.550 0.000 0.000 0.279 147 Y C 2.135 177.876 175.900 -0.264 0.000 1.157 147 Y CA 0.524 58.575 58.100 -0.082 0.000 1.300 147 Y CB -0.437 38.059 38.460 0.060 0.000 1.052 147 Y HN 0.407 nan 8.280 nan 0.000 0.529 148 M N 0.293 119.551 119.600 -0.570 0.000 2.331 148 M HA -0.294 4.186 4.480 0.000 0.000 0.260 148 M C 0.959 176.900 176.300 -0.598 0.000 1.072 148 M CA 2.065 56.603 55.300 -1.270 0.000 1.065 148 M CB 0.038 31.770 32.600 -1.447 0.000 1.392 148 M HN 0.295 nan 8.290 nan 0.000 0.427 149 E N -0.635 119.380 120.200 -0.309 0.000 2.641 149 E HA 0.108 4.458 4.350 0.000 0.000 0.224 149 E C -0.144 176.415 176.600 -0.068 0.000 0.951 149 E CA -0.053 56.247 56.400 -0.167 0.000 1.102 149 E CB 0.643 30.248 29.700 -0.158 0.000 1.091 149 E HN 0.491 nan 8.360 nan 0.000 0.507 150 K N 0.393 120.780 120.400 -0.022 0.000 2.832 150 K HA 0.276 4.596 4.320 0.000 0.000 0.211 150 K C -0.640 176.038 176.600 0.130 0.000 1.112 150 K CA -0.300 56.025 56.287 0.063 0.000 1.108 150 K CB 0.520 33.068 32.500 0.080 0.000 0.899 150 K HN -0.027 nan 8.250 nan 0.000 0.464 151 C N 3.431 122.793 119.300 0.104 0.000 2.624 151 C HA 0.114 4.574 4.460 0.000 0.000 0.397 151 C C 0.575 175.616 174.990 0.085 0.000 1.331 151 C CA -0.566 58.522 59.018 0.117 0.000 1.716 151 C CB -1.189 26.629 27.740 0.131 0.000 2.452 151 C HN 0.623 nan 8.230 nan 0.000 0.586 152 D N 2.032 122.475 120.400 0.072 0.000 2.727 152 D HA 0.164 4.804 4.640 0.000 0.000 0.264 152 D C 0.816 177.143 176.300 0.044 0.000 1.101 152 D CA -0.731 53.303 54.000 0.056 0.000 1.122 152 D CB 0.194 41.024 40.800 0.050 0.000 1.390 152 D HN 0.557 nan 8.370 nan 0.000 0.606 153 E N -0.337 119.886 120.200 0.039 0.000 2.510 153 E HA -0.148 4.202 4.350 0.000 0.000 0.202 153 E C -0.386 176.221 176.600 0.012 0.000 1.072 153 E CA 0.786 57.204 56.400 0.029 0.000 0.883 153 E CB -0.794 28.924 29.700 0.030 0.000 0.818 153 E HN 0.532 nan 8.360 nan 0.000 0.548 154 N N -0.085 118.617 118.700 0.002 0.000 2.168 154 N HA 0.313 5.053 4.740 0.000 0.000 0.216 154 N C -0.190 175.290 175.510 -0.051 0.000 1.259 154 N CA -0.157 52.881 53.050 -0.020 0.000 0.902 154 N CB 1.155 39.627 38.487 -0.025 0.000 1.079 154 N HN 0.009 nan 8.380 nan 0.000 0.507 155 I N 1.191 121.732 120.570 -0.048 0.000 2.656 155 I HA 0.349 4.519 4.170 0.000 0.000 0.292 155 I C -1.539 174.574 176.117 -0.007 0.000 1.144 155 I CA -0.695 60.547 61.300 -0.098 0.000 1.038 155 I CB 2.998 40.840 38.000 -0.263 0.000 1.244 155 I HN -0.080 nan 8.210 nan 0.000 0.420 156 L N 5.162 126.399 121.223 0.025 0.000 2.386 156 L HA 0.520 4.860 4.340 0.000 0.000 0.271 156 L C -1.854 175.130 176.870 0.191 0.000 0.993 156 L CA -0.502 54.403 54.840 0.109 0.000 0.819 156 L CB 2.572 44.678 42.059 0.078 0.000 1.294 156 L HN 0.713 nan 8.230 nan 0.000 0.414 157 W N 5.844 127.172 121.300 0.046 0.000 2.587 157 W HA 0.586 5.246 4.660 0.000 0.000 0.324 157 W C -1.757 174.803 176.519 0.069 0.000 1.040 157 W CA -0.525 56.860 57.345 0.067 0.000 1.222 157 W CB 1.445 30.964 29.460 0.099 0.000 1.381 157 W HN 0.213 nan 8.180 nan 0.000 0.483 158 L N 5.331 126.236 121.223 -0.529 0.000 2.330 158 L HA 0.315 4.655 4.340 0.000 0.000 0.271 158 L C 0.895 177.072 176.870 -1.154 0.000 1.013 158 L CA -0.256 54.273 54.840 -0.519 0.000 0.816 158 L CB 1.835 43.721 42.059 -0.288 0.000 1.287 158 L HN 0.641 nan 8.230 nan 0.000 0.435 159 D N -0.142 119.873 120.400 -0.642 0.000 2.339 159 D HA -0.113 4.527 4.640 0.000 0.000 0.217 159 D C 0.159 176.343 176.300 -0.194 0.000 1.050 159 D CA 0.200 53.889 54.000 -0.519 0.000 0.856 159 D CB -0.368 40.409 40.800 -0.037 0.000 0.922 159 D HN 0.272 nan 8.370 nan 0.000 0.518 160 Y N 2.443 122.578 120.300 -0.275 0.000 2.636 160 Y HA 0.219 4.769 4.550 0.000 0.000 0.341 160 Y C 1.006 176.814 175.900 -0.154 0.000 1.169 160 Y CA -1.104 56.901 58.100 -0.158 0.000 1.498 160 Y CB 0.416 38.809 38.460 -0.113 0.000 1.362 160 Y HN -0.297 nan 8.280 nan 0.000 0.494 161 K N 2.218 122.406 120.400 -0.353 0.000 2.160 161 K HA -0.175 4.145 4.320 0.000 0.000 0.206 161 K C 0.471 176.778 176.600 -0.488 0.000 1.047 161 K CA 1.065 57.141 56.287 -0.352 0.000 0.930 161 K CB 0.036 32.427 32.500 -0.182 0.000 0.720 161 K HN 0.604 nan 8.250 nan 0.000 0.450 162 N N 1.103 119.269 118.700 -0.890 0.000 2.295 162 N HA 0.039 4.779 4.740 0.000 0.000 0.221 162 N C 1.342 176.509 175.510 -0.572 0.000 1.129 162 N CA -0.039 52.620 53.050 -0.652 0.000 0.836 162 N CB 0.057 38.239 38.487 -0.508 0.000 1.040 162 N HN 0.236 nan 8.380 nan 0.000 0.494 163 I N -0.038 120.207 120.570 -0.542 0.000 2.151 163 I HA -0.370 3.800 4.170 0.000 0.000 0.243 163 I C 1.552 177.644 176.117 -0.042 0.000 1.080 163 I CA 1.515 62.774 61.300 -0.069 0.000 1.339 163 I CB -0.027 38.001 38.000 0.047 0.000 1.039 163 I HN 0.086 nan 8.210 nan 0.000 0.409 164 C N 1.082 120.325 119.300 -0.096 0.000 2.409 164 C HA -0.146 4.314 4.460 0.000 0.000 0.284 164 C C 2.473 177.425 174.990 -0.064 0.000 1.354 164 C CA 1.200 60.172 59.018 -0.077 0.000 1.787 164 C CB -1.431 26.251 27.740 -0.097 0.000 1.900 164 C HN 0.516 nan 8.230 nan 0.000 0.520 165 K N -0.688 119.672 120.400 -0.067 0.000 2.379 165 K HA 0.110 4.430 4.320 0.000 0.000 0.194 165 K C 1.334 177.927 176.600 -0.012 0.000 1.031 165 K CA 0.429 56.688 56.287 -0.046 0.000 1.037 165 K CB 0.206 32.671 32.500 -0.058 0.000 0.824 165 K HN 0.271 nan 8.250 nan 0.000 0.516 166 V N 1.143 121.069 119.914 0.019 0.000 3.578 166 V HA 0.120 4.240 4.120 0.000 0.000 0.290 166 V C -0.399 175.713 176.094 0.029 0.000 1.376 166 V CA 0.105 62.435 62.300 0.050 0.000 1.083 166 V CB 1.085 32.996 31.823 0.147 0.000 0.911 166 V HN -0.115 nan 8.190 nan 0.000 0.433 167 V N -0.230 119.690 119.914 0.011 0.000 2.841 167 V HA 0.573 4.693 4.120 0.000 0.000 0.310 167 V C -1.093 174.989 176.094 -0.020 0.000 1.090 167 V CA -0.694 61.605 62.300 -0.003 0.000 0.930 167 V CB 2.566 34.396 31.823 0.012 0.000 1.014 167 V HN 0.189 nan 8.190 nan 0.000 0.425 168 D N 1.015 121.401 120.400 -0.023 0.000 2.533 168 D HA 0.490 5.130 4.640 0.000 0.000 0.247 168 D C -0.770 175.515 176.300 -0.024 0.000 1.056 168 D CA -0.324 53.659 54.000 -0.028 0.000 1.054 168 D CB 2.774 43.557 40.800 -0.029 0.000 1.400 168 D HN 0.234 nan 8.370 nan 0.000 0.533 169 V N 0.711 120.609 119.914 -0.026 0.000 2.599 169 V HA 0.363 4.483 4.120 0.000 0.000 0.300 169 V C 1.478 177.564 176.094 -0.013 0.000 1.034 169 V CA 1.808 64.097 62.300 -0.019 0.000 1.115 169 V CB 0.721 32.531 31.823 -0.021 0.000 0.934 169 V HN 0.965 nan 8.190 nan 0.000 0.485 170 G N 3.736 112.533 108.800 -0.005 0.000 2.232 170 G HA2 -0.232 3.728 3.960 0.000 0.000 0.226 170 G HA3 -0.232 3.728 3.960 0.000 0.000 0.226 170 G C 0.354 175.257 174.900 0.005 0.000 0.996 170 G CA 0.051 45.151 45.100 0.000 0.000 0.626 170 G HN 0.958 nan 8.290 nan 0.000 0.509 171 S N 0.484 116.184 115.700 0.000 0.000 2.584 171 S HA 0.578 5.048 4.470 0.000 0.000 0.270 171 S C 0.156 174.773 174.600 0.029 0.000 1.346 171 S CA 0.147 58.349 58.200 0.002 0.000 1.018 171 S CB 1.643 64.834 63.200 -0.014 0.000 0.899 171 S HN 0.554 nan 8.310 nan 0.000 0.542 172 K N 0.216 120.640 120.400 0.040 0.000 2.156 172 K HA 0.712 5.032 4.320 0.000 0.000 0.250 172 K C -1.355 175.308 176.600 0.106 0.000 0.955 172 K CA -0.719 55.634 56.287 0.110 0.000 0.855 172 K CB 1.648 34.277 32.500 0.215 0.000 1.101 172 K HN 0.382 nan 8.250 nan 0.000 0.434 173 V N 2.960 122.994 119.914 0.201 0.000 2.577 173 V HA 0.356 4.476 4.120 0.000 0.000 0.303 173 V C -1.455 174.875 176.094 0.394 0.000 1.042 173 V CA -0.961 61.454 62.300 0.192 0.000 0.872 173 V CB 1.016 32.903 31.823 0.107 0.000 0.998 173 V HN 0.566 nan 8.190 nan 0.000 0.423 174 Y N 3.117 123.422 120.300 0.008 0.000 2.393 174 Y HA 0.790 5.340 4.550 0.000 0.000 0.341 174 Y C 0.056 175.962 175.900 0.009 0.000 0.988 174 Y CA -1.545 56.561 58.100 0.009 0.000 1.078 174 Y CB 2.113 40.580 38.460 0.012 0.000 1.203 174 Y HN 0.356 nan 8.280 nan 0.000 0.453 175 V N 1.948 121.963 119.914 0.169 0.000 2.864 175 V HA 0.366 4.486 4.120 0.000 0.000 0.314 175 V C -0.155 175.990 176.094 0.086 0.000 1.073 175 V CA -1.073 61.291 62.300 0.105 0.000 0.956 175 V CB 1.823 33.691 31.823 0.074 0.000 1.023 175 V HN 0.819 nan 8.190 nan 0.000 0.435 176 D N 1.901 122.348 120.400 0.078 0.000 2.800 176 D HA -0.167 4.473 4.640 0.000 0.000 0.232 176 D C 0.069 176.414 176.300 0.075 0.000 1.137 176 D CA 1.297 55.339 54.000 0.071 0.000 0.718 176 D CB -0.994 39.844 40.800 0.064 0.000 1.084 176 D HN 0.919 nan 8.370 nan 0.000 0.432 177 D N -1.389 119.066 120.400 0.092 0.000 2.737 177 D HA -0.069 4.571 4.640 0.000 0.000 0.243 177 D C 1.053 177.431 176.300 0.129 0.000 1.109 177 D CA 2.297 56.357 54.000 0.100 0.000 0.702 177 D CB -1.381 39.464 40.800 0.075 0.000 1.068 177 D HN 0.835 nan 8.370 nan 0.000 0.432 178 G N -1.130 107.795 108.800 0.208 0.000 2.179 178 G HA2 -0.353 3.607 3.960 0.000 0.000 0.257 178 G HA3 -0.353 3.607 3.960 0.000 0.000 0.257 178 G C 0.979 175.857 174.900 -0.036 0.000 1.010 178 G CA 0.626 45.834 45.100 0.181 0.000 0.736 178 G HN 0.514 nan 8.290 nan 0.000 0.513 179 L N -0.844 120.369 121.223 -0.017 0.000 2.221 179 L HA 0.450 4.790 4.340 0.000 0.000 0.202 179 L C 0.975 177.788 176.870 -0.095 0.000 1.074 179 L CA 0.836 55.652 54.840 -0.041 0.000 0.795 179 L CB 0.161 42.225 42.059 0.008 0.000 0.960 179 L HN 0.244 nan 8.230 nan 0.000 0.458 180 I N -1.101 119.417 120.570 -0.086 0.000 2.377 180 I HA 0.300 4.470 4.170 0.000 0.000 0.293 180 I C -0.061 175.958 176.117 -0.165 0.000 0.987 180 I CA -0.645 60.595 61.300 -0.100 0.000 1.185 180 I CB 1.194 39.170 38.000 -0.039 0.000 1.341 180 I HN -0.186 nan 8.210 nan 0.000 0.455 181 S N 7.013 122.597 115.700 -0.194 0.000 2.473 181 S HA 0.887 5.357 4.470 0.000 0.000 0.307 181 S C -0.811 173.750 174.600 -0.065 0.000 1.094 181 S CA -0.472 57.599 58.200 -0.215 0.000 1.070 181 S CB 0.544 63.533 63.200 -0.351 0.000 1.019 181 S HN 0.400 nan 8.310 nan 0.000 0.480 182 L N 3.388 124.622 121.223 0.018 0.000 2.333 182 L HA 0.669 5.009 4.340 0.000 0.000 0.263 182 L C -0.388 176.515 176.870 0.053 0.000 1.014 182 L CA -0.840 54.017 54.840 0.028 0.000 0.820 182 L CB 1.996 44.077 42.059 0.036 0.000 1.352 182 L HN 0.590 nan 8.230 nan 0.000 0.421 183 Q N 0.556 120.378 119.800 0.036 0.000 2.340 183 Q HA 0.455 4.795 4.340 0.000 0.000 0.268 183 Q C -1.353 174.665 176.000 0.029 0.000 1.031 183 Q CA -0.766 55.060 55.803 0.038 0.000 0.804 183 Q CB 2.492 31.246 28.738 0.027 0.000 1.286 183 Q HN 0.503 nan 8.270 nan 0.000 0.448 184 V N 6.275 126.205 119.914 0.027 0.000 2.324 184 V HA -0.034 4.086 4.120 0.000 0.000 0.244 184 V C 1.052 177.152 176.094 0.011 0.000 1.144 184 V CA 0.424 62.734 62.300 0.017 0.000 1.158 184 V CB -0.180 31.647 31.823 0.008 0.000 1.254 184 V HN 0.779 nan 8.190 nan 0.000 0.492 185 K N 2.414 122.823 120.400 0.015 0.000 2.097 185 K HA -0.021 4.299 4.320 0.000 0.000 0.205 185 K C 0.871 177.474 176.600 0.006 0.000 1.050 185 K CA 1.077 57.370 56.287 0.011 0.000 0.938 185 K CB 0.374 32.882 32.500 0.014 0.000 0.718 185 K HN 0.617 nan 8.250 nan 0.000 0.442 186 Q N -0.602 119.202 119.800 0.008 0.000 2.605 186 Q HA 0.345 4.685 4.340 0.000 0.000 0.296 186 Q C -1.541 174.437 176.000 -0.037 0.000 1.056 186 Q CA -0.715 55.085 55.803 -0.006 0.000 0.778 186 Q CB 2.480 31.227 28.738 0.016 0.000 1.497 186 Q HN -0.149 nan 8.270 nan 0.000 0.443 187 K N 0.234 120.582 120.400 -0.087 0.000 2.761 187 K HA 0.428 4.748 4.320 0.000 0.000 0.257 187 K C -0.737 175.687 176.600 -0.294 0.000 1.053 187 K CA -0.277 55.916 56.287 -0.158 0.000 1.035 187 K CB 0.822 33.254 32.500 -0.113 0.000 1.267 187 K HN 0.718 nan 8.250 nan 0.000 0.505 188 G N 2.865 111.305 108.800 -0.601 0.000 2.588 188 G HA2 0.207 4.167 3.960 0.000 0.000 0.278 188 G HA3 0.207 4.167 3.960 0.000 0.000 0.278 188 G C -1.612 172.894 174.900 -0.657 0.000 1.307 188 G CA -1.123 43.355 45.100 -1.037 0.000 1.016 188 G HN 0.446 nan 8.290 nan 0.000 0.503 189 P HA -0.013 nan 4.420 nan 0.000 0.215 189 P C 0.702 177.901 177.300 -0.169 0.000 1.157 189 P CA 1.381 64.343 63.100 -0.229 0.000 0.859 189 P CB 0.398 32.047 31.700 -0.086 0.000 0.786 190 D N -2.194 118.126 120.400 -0.133 0.000 2.431 190 D HA 0.107 4.747 4.640 0.000 0.000 0.235 190 D C 0.566 176.912 176.300 0.078 0.000 0.980 190 D CA 0.205 54.240 54.000 0.058 0.000 0.912 190 D CB 0.198 41.167 40.800 0.281 0.000 1.056 190 D HN 0.053 nan 8.370 nan 0.000 0.494 191 F N -0.480 119.462 119.950 -0.013 0.000 2.585 191 F HA 0.710 5.237 4.527 0.000 0.000 0.350 191 F C -0.821 174.965 175.800 -0.023 0.000 1.074 191 F CA -1.431 56.556 58.000 -0.021 0.000 1.032 191 F CB 0.220 39.208 39.000 -0.021 0.000 1.330 191 F HN -0.357 nan 8.300 nan 0.000 0.495 192 L N 1.111 122.403 121.223 0.116 0.000 2.381 192 L HA 0.700 5.040 4.340 0.000 0.000 0.268 192 L C -1.009 175.948 176.870 0.145 0.000 0.997 192 L CA -0.869 53.995 54.840 0.040 0.000 0.818 192 L CB 2.211 44.285 42.059 0.026 0.000 1.310 192 L HN 0.571 nan 8.230 nan 0.000 0.416 193 V N 1.807 121.783 119.914 0.104 0.000 2.376 193 V HA 0.666 4.786 4.120 0.000 0.000 0.287 193 V C 0.105 176.232 176.094 0.054 0.000 1.015 193 V CA -0.504 61.860 62.300 0.107 0.000 0.834 193 V CB 1.589 33.492 31.823 0.133 0.000 1.001 193 V HN 0.895 nan 8.190 nan 0.000 0.428 194 T N 1.191 115.772 114.554 0.045 0.000 2.940 194 T HA 0.713 5.064 4.350 0.000 0.000 0.288 194 T C -0.669 174.043 174.700 0.021 0.000 1.045 194 T CA -0.741 61.378 62.100 0.031 0.000 1.018 194 T CB 2.439 71.327 68.868 0.032 0.000 1.151 194 T HN 0.613 nan 8.240 nan 0.000 0.529 195 E N 0.730 120.939 120.200 0.015 0.000 2.158 195 E HA 0.514 4.864 4.350 0.000 0.000 0.271 195 E C -1.067 175.533 176.600 -0.002 0.000 0.911 195 E CA -0.915 55.489 56.400 0.006 0.000 0.767 195 E CB 1.656 31.359 29.700 0.005 0.000 1.120 195 E HN 0.543 nan 8.360 nan 0.000 0.405 196 V N 5.243 125.151 119.914 -0.011 0.000 2.421 196 V HA 0.005 4.125 4.120 0.000 0.000 0.271 196 V C 0.310 176.384 176.094 -0.032 0.000 1.031 196 V CA 0.407 62.692 62.300 -0.025 0.000 1.032 196 V CB 0.696 32.498 31.823 -0.035 0.000 1.009 196 V HN 0.661 nan 8.190 nan 0.000 0.477 197 E N 6.318 126.495 120.200 -0.038 0.000 2.400 197 E HA 0.237 4.587 4.350 0.000 0.000 0.232 197 E C -0.228 176.332 176.600 -0.067 0.000 0.988 197 E CA -0.614 55.761 56.400 -0.042 0.000 0.823 197 E CB 0.044 29.728 29.700 -0.027 0.000 1.246 197 E HN 0.774 nan 8.360 nan 0.000 0.441 198 N N 1.655 120.314 118.700 -0.068 0.000 2.438 198 N HA -0.112 4.628 4.740 0.000 0.000 0.279 198 N C -0.879 174.569 175.510 -0.104 0.000 1.343 198 N CA 0.882 53.882 53.050 -0.083 0.000 0.632 198 N CB -0.621 37.818 38.487 -0.081 0.000 0.902 198 N HN 0.680 nan 8.380 nan 0.000 0.518 199 G N 0.339 109.073 108.800 -0.110 0.000 3.016 199 G HA2 0.907 4.867 3.960 0.000 0.000 0.270 199 G HA3 0.907 4.867 3.960 0.000 0.000 0.270 199 G C 0.500 175.291 174.900 -0.181 0.000 1.352 199 G CA 0.070 45.092 45.100 -0.131 0.000 1.060 199 G HN 0.772 nan 8.290 nan 0.000 0.538 200 G N -1.610 107.047 108.800 -0.238 0.000 3.206 200 G HA2 0.415 4.375 3.960 0.000 0.000 0.146 200 G HA3 0.415 4.375 3.960 0.000 0.000 0.146 200 G C -1.597 172.941 174.900 -0.603 0.000 1.214 200 G CA -0.477 44.387 45.100 -0.393 0.000 1.297 200 G HN 0.376 nan 8.290 nan 0.000 0.659 201 F N 2.100 122.053 119.950 0.004 0.000 2.325 201 F HA 0.508 5.035 4.527 0.000 0.000 0.369 201 F C 0.389 176.198 175.800 0.015 0.000 1.095 201 F CA -0.745 57.261 58.000 0.009 0.000 1.082 201 F CB 1.594 40.599 39.000 0.009 0.000 1.289 201 F HN 0.096 nan 8.300 nan 0.000 0.462 202 L N 3.566 124.891 121.223 0.170 0.000 2.455 202 L HA 0.427 4.767 4.340 0.000 0.000 0.272 202 L C 0.499 177.453 176.870 0.140 0.000 1.174 202 L CA 0.569 55.482 54.840 0.122 0.000 0.869 202 L CB 0.367 42.477 42.059 0.085 0.000 1.130 202 L HN 0.735 nan 8.230 nan 0.000 0.474 203 G N 3.228 112.094 108.800 0.110 0.000 3.217 203 G HA2 0.487 4.447 3.960 0.000 0.000 0.213 203 G HA3 0.487 4.447 3.960 0.000 0.000 0.213 203 G C -1.209 173.739 174.900 0.080 0.000 1.294 203 G CA -0.379 44.775 45.100 0.090 0.000 0.987 203 G HN 0.579 nan 8.290 nan 0.000 0.584 204 S N -0.129 115.611 115.700 0.067 0.000 2.509 204 S HA 0.479 4.949 4.470 0.000 0.000 0.297 204 S C -0.261 174.382 174.600 0.073 0.000 1.118 204 S CA -0.574 57.668 58.200 0.069 0.000 1.074 204 S CB 1.376 64.606 63.200 0.051 0.000 1.038 204 S HN 0.573 nan 8.310 nan 0.000 0.498 205 K N 0.732 121.187 120.400 0.093 0.000 3.244 205 K HA -0.134 4.186 4.320 0.000 0.000 0.270 205 K C -0.723 175.927 176.600 0.084 0.000 1.016 205 K CA 0.443 56.788 56.287 0.096 0.000 0.754 205 K CB -0.787 31.759 32.500 0.078 0.000 1.326 205 K HN 0.308 nan 8.250 nan 0.000 0.465 206 K N 0.124 120.577 120.400 0.088 0.000 2.087 206 K HA 0.327 4.647 4.320 0.000 0.000 0.255 206 K C 0.741 177.378 176.600 0.062 0.000 0.988 206 K CA -0.265 56.067 56.287 0.074 0.000 0.915 206 K CB 1.147 33.693 32.500 0.077 0.000 1.043 206 K HN 0.330 nan 8.250 nan 0.000 0.457 207 G N 0.399 109.228 108.800 0.049 0.000 2.355 207 G HA2 0.390 4.350 3.960 0.000 0.000 0.276 207 G HA3 0.390 4.350 3.960 0.000 0.000 0.276 207 G C -0.710 174.206 174.900 0.028 0.000 1.198 207 G CA -0.363 44.751 45.100 0.023 0.000 0.876 207 G HN 0.219 nan 8.290 nan 0.000 0.478 208 V N 3.240 123.154 119.914 -0.001 0.000 2.459 208 V HA 0.381 4.501 4.120 0.000 0.000 0.295 208 V C -0.526 175.543 176.094 -0.043 0.000 1.029 208 V CA -0.917 61.386 62.300 0.004 0.000 0.874 208 V CB 1.841 33.662 31.823 -0.003 0.000 0.985 208 V HN 0.806 nan 8.190 nan 0.000 0.438 209 N N 4.161 122.847 118.700 -0.023 0.000 2.269 209 N HA 0.634 5.374 4.740 0.000 0.000 0.304 209 N C -1.215 174.225 175.510 -0.117 0.000 1.072 209 N CA -0.574 52.423 53.050 -0.087 0.000 0.802 209 N CB 2.002 40.427 38.487 -0.103 0.000 1.348 209 N HN 0.377 nan 8.380 nan 0.000 0.484 210 L N 2.810 123.966 121.223 -0.111 0.000 2.506 210 L HA 0.440 4.780 4.340 0.000 0.000 0.247 210 L C -2.309 174.489 176.870 -0.120 0.000 1.141 210 L CA -2.263 52.520 54.840 -0.096 0.000 0.973 210 L CB 0.159 42.182 42.059 -0.061 0.000 1.319 210 L HN 0.450 nan 8.230 nan 0.000 0.455 211 P HA 0.207 nan 4.420 nan 0.000 0.262 211 P C 1.037 178.256 177.300 -0.137 0.000 1.182 211 P CA 0.856 63.843 63.100 -0.188 0.000 0.761 211 P CB 0.879 32.397 31.700 -0.304 0.000 0.795 212 G N 1.708 110.419 108.800 -0.148 0.000 2.299 212 G HA2 -0.221 3.739 3.960 0.000 0.000 0.237 212 G HA3 -0.221 3.739 3.960 0.000 0.000 0.237 212 G C 0.467 175.244 174.900 -0.204 0.000 1.027 212 G CA 0.154 45.082 45.100 -0.285 0.000 0.619 212 G HN 0.884 nan 8.290 nan 0.000 0.513 213 A N 0.284 123.039 122.820 -0.108 0.000 2.346 213 A HA 0.771 5.091 4.320 0.000 0.000 0.252 213 A C 0.804 178.364 177.584 -0.040 0.000 1.089 213 A CA 1.125 53.127 52.037 -0.059 0.000 0.797 213 A CB 0.662 19.648 19.000 -0.023 0.000 1.047 213 A HN 2.068 nan 8.150 nan 0.000 0.494 214 A N 1.835 124.645 122.820 -0.015 0.000 2.801 214 A HA 0.526 4.846 4.320 0.000 0.000 0.344 214 A C -0.107 177.495 177.584 0.030 0.000 1.322 214 A CA -0.395 51.638 52.037 -0.006 0.000 0.913 214 A CB -0.329 18.666 19.000 -0.008 0.000 1.140 214 A HN 0.854 nan 8.150 nan 0.000 0.487 215 V N 1.954 121.881 119.914 0.022 0.000 2.617 215 V HA -0.069 4.051 4.120 0.000 0.000 0.304 215 V C 1.186 177.323 176.094 0.072 0.000 1.040 215 V CA 0.961 63.272 62.300 0.017 0.000 1.149 215 V CB 0.829 32.639 31.823 -0.021 0.000 0.914 215 V HN 0.931 nan 8.190 nan 0.000 0.487 216 D N 3.198 123.697 120.400 0.164 0.000 2.317 216 D HA 0.030 4.670 4.640 0.000 0.000 0.211 216 D C 0.589 176.982 176.300 0.154 0.000 0.966 216 D CA 0.087 54.194 54.000 0.179 0.000 0.876 216 D CB 0.058 41.023 40.800 0.275 0.000 0.927 216 D HN 0.350 nan 8.370 nan 0.000 0.519 217 L N 2.042 123.343 121.223 0.130 0.000 2.653 217 L HA 0.021 4.361 4.340 0.000 0.000 0.288 217 L C -1.768 175.157 176.870 0.093 0.000 1.243 217 L CA -0.545 54.353 54.840 0.097 0.000 0.906 217 L CB -0.422 41.644 42.059 0.011 0.000 1.154 217 L HN 0.026 nan 8.230 nan 0.000 0.498 218 P HA -0.012 nan 4.420 nan 0.000 0.262 218 P C 0.314 177.656 177.300 0.070 0.000 1.182 218 P CA 0.103 63.245 63.100 0.070 0.000 0.761 218 P CB 0.523 32.261 31.700 0.063 0.000 0.795 219 A N 3.099 125.956 122.820 0.061 0.000 2.104 219 A HA -0.077 4.243 4.320 0.000 0.000 0.223 219 A C 0.949 178.571 177.584 0.063 0.000 1.164 219 A CA 1.544 53.616 52.037 0.058 0.000 0.659 219 A CB -0.375 18.646 19.000 0.034 0.000 0.808 219 A HN 0.480 nan 8.150 nan 0.000 0.465 220 V N -1.203 118.746 119.914 0.058 0.000 3.077 220 V HA 0.486 4.606 4.120 0.000 0.000 0.299 220 V C -0.188 175.937 176.094 0.051 0.000 1.276 220 V CA -0.157 62.175 62.300 0.054 0.000 0.993 220 V CB 2.378 34.229 31.823 0.047 0.000 1.076 220 V HN 0.609 nan 8.190 nan 0.000 0.434 221 S N 2.630 118.360 115.700 0.050 0.000 2.713 221 S HA 0.480 4.950 4.470 0.000 0.000 0.283 221 S C 0.829 175.463 174.600 0.056 0.000 1.161 221 S CA 0.162 58.392 58.200 0.050 0.000 0.999 221 S CB 1.668 64.896 63.200 0.046 0.000 1.039 221 S HN 0.787 nan 8.310 nan 0.000 0.548 222 E N 0.886 121.120 120.200 0.056 0.000 2.049 222 E HA -0.220 4.130 4.350 0.000 0.000 0.198 222 E C 1.937 178.580 176.600 0.072 0.000 1.007 222 E CA 1.795 58.231 56.400 0.059 0.000 0.809 222 E CB -0.166 29.566 29.700 0.054 0.000 0.749 222 E HN 0.766 nan 8.360 nan 0.000 0.450 223 K N 0.510 120.957 120.400 0.078 0.000 2.147 223 K HA -0.222 4.098 4.320 0.000 0.000 0.205 223 K C 1.347 178.021 176.600 0.123 0.000 1.049 223 K CA 1.710 58.061 56.287 0.107 0.000 0.936 223 K CB 0.018 32.586 32.500 0.114 0.000 0.722 223 K HN 0.065 nan 8.250 nan 0.000 0.446 224 D N 1.309 121.762 120.400 0.089 0.000 2.092 224 D HA -0.189 4.451 4.640 0.000 0.000 0.193 224 D C 1.966 178.304 176.300 0.064 0.000 0.994 224 D CA 1.611 55.653 54.000 0.069 0.000 0.828 224 D CB -0.235 40.596 40.800 0.051 0.000 0.963 224 D HN 0.330 nan 8.370 nan 0.000 0.450 225 I N 0.921 121.532 120.570 0.068 0.000 2.194 225 I HA -0.339 3.831 4.170 0.000 0.000 0.246 225 I C 2.360 178.535 176.117 0.097 0.000 1.093 225 I CA 1.304 62.645 61.300 0.068 0.000 1.355 225 I CB -0.855 37.183 38.000 0.063 0.000 1.046 225 I HN 0.107 nan 8.210 nan 0.000 0.413 226 Q N 1.295 121.176 119.800 0.135 0.000 2.046 226 Q HA -0.193 4.147 4.340 0.000 0.000 0.200 226 Q C 1.703 177.867 176.000 0.273 0.000 0.975 226 Q CA 1.681 57.609 55.803 0.208 0.000 0.836 226 Q CB -0.445 28.420 28.738 0.211 0.000 0.896 226 Q HN 0.407 nan 8.270 nan 0.000 0.428 227 D N 1.090 121.632 120.400 0.236 0.000 2.149 227 D HA -0.126 4.514 4.640 0.000 0.000 0.198 227 D C 1.905 178.179 176.300 -0.043 0.000 0.990 227 D CA 0.963 55.020 54.000 0.094 0.000 0.839 227 D CB -0.185 40.650 40.800 0.057 0.000 0.948 227 D HN 0.192 nan 8.370 nan 0.000 0.460 228 L N 0.668 121.880 121.223 -0.017 0.000 1.948 228 L HA -0.202 4.138 4.340 0.000 0.000 0.212 228 L C 2.364 179.224 176.870 -0.016 0.000 1.074 228 L CA 1.557 56.366 54.840 -0.051 0.000 0.753 228 L CB -0.583 41.460 42.059 -0.026 0.000 0.888 228 L HN 0.069 nan 8.230 nan 0.000 0.432 229 K N -0.244 120.182 120.400 0.043 0.000 2.160 229 K HA -0.259 4.061 4.320 0.000 0.000 0.206 229 K C 2.021 178.667 176.600 0.077 0.000 1.047 229 K CA 1.949 58.268 56.287 0.054 0.000 0.930 229 K CB -0.820 31.726 32.500 0.076 0.000 0.720 229 K HN 0.181 nan 8.250 nan 0.000 0.450 230 F N 2.488 122.415 119.950 -0.038 0.000 2.186 230 F HA 0.007 4.534 4.527 0.000 0.000 0.299 230 F C 2.248 177.989 175.800 -0.098 0.000 1.090 230 F CA 1.591 59.554 58.000 -0.062 0.000 1.307 230 F CB -0.665 38.205 39.000 -0.218 0.000 1.019 230 F HN 0.054 nan 8.300 nan 0.000 0.489 231 G N 0.420 109.124 108.800 -0.160 0.000 2.446 231 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 231 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 231 G C 1.646 176.389 174.900 -0.262 0.000 1.168 231 G CA 1.497 46.423 45.100 -0.291 0.000 0.771 231 G HN 0.353 nan 8.290 nan 0.000 0.551 232 V N 0.676 120.494 119.914 -0.160 0.000 2.594 232 V HA -0.093 4.027 4.120 0.000 0.000 0.253 232 V C 2.167 178.181 176.094 -0.133 0.000 1.069 232 V CA 1.777 64.008 62.300 -0.115 0.000 1.082 232 V CB -0.450 31.338 31.823 -0.058 0.000 0.680 232 V HN 0.457 nan 8.190 nan 0.000 0.469 233 E N -0.342 119.751 120.200 -0.178 0.000 2.445 233 E HA 0.010 4.360 4.350 0.000 0.000 0.189 233 E C 1.423 177.865 176.600 -0.264 0.000 1.069 233 E CA -0.002 56.298 56.400 -0.166 0.000 0.871 233 E CB 0.205 29.847 29.700 -0.097 0.000 0.991 233 E HN 0.544 nan 8.360 nan 0.000 0.481 234 Q N -0.163 119.433 119.800 -0.339 0.000 2.157 234 Q HA 0.010 4.350 4.340 0.000 0.000 0.235 234 Q C -0.462 175.419 176.000 -0.198 0.000 0.803 234 Q CA 0.103 55.706 55.803 -0.333 0.000 0.967 234 Q CB 0.943 29.337 28.738 -0.573 0.000 1.150 234 Q HN 0.118 nan 8.270 nan 0.000 0.482 235 D N 1.024 121.326 120.400 -0.164 0.000 2.705 235 D HA -0.133 4.507 4.640 0.000 0.000 0.240 235 D C -0.222 176.021 176.300 -0.095 0.000 1.137 235 D CA 0.460 54.398 54.000 -0.105 0.000 0.677 235 D CB -1.149 39.609 40.800 -0.069 0.000 1.049 235 D HN 0.135 nan 8.370 nan 0.000 0.427 236 V N -2.150 117.689 119.914 -0.125 0.000 3.096 236 V HA 0.246 4.366 4.120 0.000 0.000 0.306 236 V C 1.608 177.660 176.094 -0.070 0.000 1.088 236 V CA 0.291 62.524 62.300 -0.112 0.000 1.129 236 V CB 1.143 32.872 31.823 -0.157 0.000 1.014 236 V HN 0.115 nan 8.190 nan 0.000 0.486 237 D N 2.139 122.511 120.400 -0.048 0.000 2.137 237 D HA 0.068 4.708 4.640 0.000 0.000 0.202 237 D C 0.785 177.090 176.300 0.007 0.000 0.970 237 D CA 1.552 55.552 54.000 0.001 0.000 0.837 237 D CB 0.282 41.102 40.800 0.033 0.000 0.981 237 D HN 0.766 nan 8.370 nan 0.000 0.475 238 M N -0.503 119.077 119.600 -0.032 0.000 2.534 238 M HA 0.386 4.866 4.480 0.000 0.000 0.280 238 M C -2.109 174.124 176.300 -0.111 0.000 1.217 238 M CA -0.815 54.484 55.300 -0.002 0.000 0.893 238 M CB 2.610 35.279 32.600 0.117 0.000 1.730 238 M HN -0.375 nan 8.290 nan 0.000 0.483 239 V N 2.698 122.597 119.914 -0.024 0.000 2.483 239 V HA 0.562 4.682 4.120 0.000 0.000 0.295 239 V C -1.066 175.194 176.094 0.275 0.000 1.035 239 V CA -0.355 61.924 62.300 -0.034 0.000 0.896 239 V CB 1.693 33.501 31.823 -0.025 0.000 0.986 239 V HN 0.696 nan 8.190 nan 0.000 0.447 240 F N 3.118 123.048 119.950 -0.033 0.000 2.310 240 F HA 0.581 5.108 4.527 0.000 0.000 0.365 240 F C 0.689 176.482 175.800 -0.011 0.000 1.080 240 F CA -1.644 56.346 58.000 -0.017 0.000 1.187 240 F CB 0.706 39.702 39.000 -0.006 0.000 1.465 240 F HN 0.523 nan 8.300 nan 0.000 0.496 241 A N 2.114 125.035 122.820 0.168 0.000 2.395 241 A HA 0.407 4.727 4.320 0.000 0.000 0.286 241 A C 0.826 178.471 177.584 0.101 0.000 1.193 241 A CA -0.028 52.068 52.037 0.099 0.000 0.852 241 A CB -0.024 19.013 19.000 0.061 0.000 1.118 241 A HN 0.523 nan 8.150 nan 0.000 0.524 242 S N 1.259 117.027 115.700 0.113 0.000 2.569 242 S HA 0.234 4.704 4.470 0.000 0.000 0.274 242 S C 0.385 175.111 174.600 0.211 0.000 1.353 242 S CA 0.091 58.377 58.200 0.144 0.000 1.023 242 S CB -0.259 63.011 63.200 0.117 0.000 0.876 242 S HN 1.053 nan 8.310 nan 0.000 0.540 243 F N 0.963 120.911 119.950 -0.003 0.000 2.861 243 F HA -0.168 4.359 4.527 0.000 0.000 0.230 243 F C -0.143 175.645 175.800 -0.020 0.000 1.020 243 F CA -0.165 57.826 58.000 -0.016 0.000 0.852 243 F CB -1.069 37.918 39.000 -0.023 0.000 0.724 243 F HN 0.299 nan 8.300 nan 0.000 0.843 244 I N 1.584 122.131 120.570 -0.038 0.000 2.533 244 I HA 0.005 4.175 4.170 0.000 0.000 0.284 244 I C 1.362 177.354 176.117 -0.208 0.000 1.109 244 I CA 0.485 61.727 61.300 -0.097 0.000 1.412 244 I CB 0.925 38.884 38.000 -0.069 0.000 1.396 244 I HN 0.308 nan 8.210 nan 0.000 0.543 245 R N 4.743 125.118 120.500 -0.207 0.000 2.509 245 R HA 0.211 4.551 4.340 0.000 0.000 0.297 245 R C -0.390 175.825 176.300 -0.143 0.000 0.951 245 R CA 0.020 55.985 56.100 -0.224 0.000 1.103 245 R CB 0.670 30.811 30.300 -0.265 0.000 1.283 245 R HN 0.663 nan 8.270 nan 0.000 0.534 246 K N -2.691 117.631 120.400 -0.131 0.000 2.642 246 K HA 0.454 4.774 4.320 0.000 0.000 0.290 246 K C -0.182 176.318 176.600 -0.167 0.000 1.006 246 K CA -0.326 55.887 56.287 -0.123 0.000 0.869 246 K CB 0.890 33.336 32.500 -0.090 0.000 1.499 246 K HN -0.141 nan 8.250 nan 0.000 0.403 247 A N 1.245 123.950 122.820 -0.192 0.000 1.883 247 A HA -0.121 4.199 4.320 0.000 0.000 0.217 247 A C 2.317 179.609 177.584 -0.487 0.000 1.186 247 A CA 2.635 54.474 52.037 -0.331 0.000 0.624 247 A CB -1.215 17.620 19.000 -0.275 0.000 0.822 247 A HN 0.935 nan 8.150 nan 0.000 0.444 248 A N 0.259 122.925 122.820 -0.258 0.000 1.985 248 A HA -0.351 3.969 4.320 0.000 0.000 0.223 248 A C 1.714 179.230 177.584 -0.113 0.000 1.189 248 A CA 2.423 54.391 52.037 -0.116 0.000 0.658 248 A CB -0.840 18.145 19.000 -0.024 0.000 0.820 248 A HN 0.551 nan 8.150 nan 0.000 0.464 249 D N -0.365 119.957 120.400 -0.131 0.000 2.078 249 D HA -0.105 4.535 4.640 0.000 0.000 0.193 249 D C 2.106 178.352 176.300 -0.090 0.000 0.990 249 D CA 1.647 55.600 54.000 -0.078 0.000 0.827 249 D CB -0.850 39.913 40.800 -0.063 0.000 0.975 249 D HN 0.254 nan 8.370 nan 0.000 0.451 250 V N 1.103 120.908 119.914 -0.182 0.000 2.380 250 V HA -0.294 3.826 4.120 0.000 0.000 0.251 250 V C 2.083 178.159 176.094 -0.029 0.000 1.063 250 V CA 1.874 64.091 62.300 -0.138 0.000 1.055 250 V CB -0.939 30.764 31.823 -0.200 0.000 0.657 250 V HN 0.353 nan 8.190 nan 0.000 0.455 251 H N 0.028 119.092 119.070 -0.010 0.000 2.321 251 H HA -0.161 4.395 4.556 0.000 0.000 0.300 251 H C 2.476 177.805 175.328 0.002 0.000 1.087 251 H CA 1.569 57.614 56.048 -0.005 0.000 1.319 251 H CB -0.001 29.757 29.762 -0.007 0.000 1.379 251 H HN 0.500 nan 8.280 nan 0.000 0.501 252 E N 0.450 120.722 120.200 0.120 0.000 2.118 252 E HA -0.149 4.201 4.350 0.000 0.000 0.195 252 E C 2.337 178.973 176.600 0.059 0.000 0.992 252 E CA 1.243 57.688 56.400 0.075 0.000 0.804 252 E CB 0.036 29.768 29.700 0.052 0.000 0.741 252 E HN 0.238 nan 8.360 nan 0.000 0.458 253 V N 0.810 120.755 119.914 0.051 0.000 2.515 253 V HA -0.222 3.898 4.120 0.000 0.000 0.250 253 V C 2.285 178.405 176.094 0.043 0.000 1.058 253 V CA 1.545 63.868 62.300 0.039 0.000 1.064 253 V CB -0.422 31.418 31.823 0.028 0.000 0.675 253 V HN 0.152 nan 8.190 nan 0.000 0.461 254 R N 0.050 120.589 120.500 0.064 0.000 2.070 254 R HA -0.145 4.195 4.340 0.000 0.000 0.233 254 R C 2.485 178.808 176.300 0.039 0.000 1.137 254 R CA 1.603 57.737 56.100 0.056 0.000 0.945 254 R CB -0.275 30.071 30.300 0.076 0.000 0.845 254 R HN 0.389 nan 8.270 nan 0.000 0.430 255 K N 0.142 120.569 120.400 0.044 0.000 2.049 255 K HA -0.247 4.073 4.320 0.000 0.000 0.219 255 K C 1.972 178.588 176.600 0.027 0.000 1.056 255 K CA 1.968 58.274 56.287 0.032 0.000 0.946 255 K CB -0.365 32.158 32.500 0.038 0.000 0.723 255 K HN 0.098 nan 8.250 nan 0.000 0.453 256 I N 1.122 121.710 120.570 0.030 0.000 2.118 256 I HA -0.277 3.893 4.170 0.000 0.000 0.241 256 I C 2.315 178.443 176.117 0.018 0.000 1.070 256 I CA 1.378 62.693 61.300 0.025 0.000 1.327 256 I CB -1.011 37.004 38.000 0.025 0.000 1.034 256 I HN 0.131 nan 8.210 nan 0.000 0.405 257 L N 0.193 121.424 121.223 0.013 0.000 2.265 257 L HA 0.011 4.351 4.340 0.000 0.000 0.215 257 L C 1.792 178.666 176.870 0.008 0.000 1.117 257 L CA 1.210 56.053 54.840 0.005 0.000 0.782 257 L CB -1.317 40.744 42.059 0.003 0.000 0.914 257 L HN 0.474 nan 8.230 nan 0.000 0.441 258 G N -0.426 108.382 108.800 0.013 0.000 2.596 258 G HA2 -0.418 3.542 3.960 0.000 0.000 0.334 258 G HA3 -0.418 3.542 3.960 0.000 0.000 0.334 258 G C 1.094 175.999 174.900 0.009 0.000 1.351 258 G CA 0.606 45.712 45.100 0.011 0.000 0.965 258 G HN 0.230 nan 8.290 nan 0.000 0.533 259 E N -0.091 120.114 120.200 0.008 0.000 2.085 259 E HA -0.100 4.250 4.350 0.000 0.000 0.194 259 E C 2.511 179.115 176.600 0.007 0.000 0.994 259 E CA 1.465 57.869 56.400 0.007 0.000 0.801 259 E CB -0.231 29.473 29.700 0.007 0.000 0.743 259 E HN 0.518 nan 8.360 nan 0.000 0.453 260 K N -0.463 119.939 120.400 0.004 0.000 2.076 260 K HA -0.023 4.297 4.320 0.000 0.000 0.204 260 K C 1.760 178.359 176.600 -0.002 0.000 1.051 260 K CA 1.040 57.327 56.287 0.000 0.000 0.949 260 K CB -0.096 32.402 32.500 -0.004 0.000 0.726 260 K HN 0.089 nan 8.250 nan 0.000 0.443 261 G N 1.103 109.901 108.800 -0.003 0.000 3.124 261 G HA2 -0.067 3.893 3.960 0.000 0.000 0.212 261 G HA3 -0.067 3.893 3.960 0.000 0.000 0.212 261 G C 1.059 175.963 174.900 0.006 0.000 1.181 261 G CA -0.199 44.898 45.100 -0.006 0.000 0.803 261 G HN 0.205 nan 8.290 nan 0.000 0.529 262 K N 0.978 121.384 120.400 0.011 0.000 2.015 262 K HA -0.198 4.122 4.320 0.000 0.000 0.216 262 K C 1.832 178.448 176.600 0.026 0.000 1.052 262 K CA 1.865 58.163 56.287 0.018 0.000 0.937 262 K CB -0.190 32.321 32.500 0.018 0.000 0.719 262 K HN 0.407 nan 8.250 nan 0.000 0.446 263 N N 0.589 119.305 118.700 0.027 0.000 2.571 263 N HA 0.013 4.753 4.740 0.000 0.000 0.189 263 N C 0.051 175.585 175.510 0.039 0.000 1.154 263 N CA 0.167 53.240 53.050 0.038 0.000 0.907 263 N CB 0.043 38.555 38.487 0.041 0.000 0.977 263 N HN 0.127 nan 8.380 nan 0.000 0.449 264 I N 1.672 122.257 120.570 0.025 0.000 2.471 264 I HA 0.059 4.229 4.170 0.000 0.000 0.286 264 I C 0.387 176.526 176.117 0.037 0.000 1.079 264 I CA -0.281 61.031 61.300 0.020 0.000 1.398 264 I CB 0.512 38.509 38.000 -0.006 0.000 1.403 264 I HN 0.004 nan 8.210 nan 0.000 0.530 265 K N 7.253 127.686 120.400 0.054 0.000 2.298 265 K HA 0.456 4.776 4.320 0.000 0.000 0.280 265 K C -0.333 176.310 176.600 0.071 0.000 1.032 265 K CA -0.341 55.987 56.287 0.069 0.000 0.958 265 K CB 1.457 34.012 32.500 0.093 0.000 0.978 265 K HN 0.503 nan 8.250 nan 0.000 0.472 266 I N 4.395 125.001 120.570 0.060 0.000 2.339 266 I HA 0.300 4.470 4.170 0.000 0.000 0.290 266 I C 0.204 176.352 176.117 0.050 0.000 0.994 266 I CA -0.504 60.833 61.300 0.061 0.000 1.191 266 I CB 0.890 38.914 38.000 0.040 0.000 1.343 266 I HN 0.281 nan 8.210 nan 0.000 0.458 267 I N 5.390 126.011 120.570 0.084 0.000 2.428 267 I HA 0.219 4.389 4.170 0.000 0.000 0.279 267 I C 0.286 176.405 176.117 0.003 0.000 1.040 267 I CA -0.232 61.078 61.300 0.016 0.000 1.171 267 I CB 1.108 39.092 38.000 -0.026 0.000 1.312 267 I HN 0.526 nan 8.210 nan 0.000 0.470 268 S N 5.528 121.215 115.700 -0.022 0.000 2.563 268 S HA 0.142 4.612 4.470 0.000 0.000 0.284 268 S C 0.156 174.742 174.600 -0.024 0.000 1.331 268 S CA -0.039 58.148 58.200 -0.022 0.000 1.047 268 S CB 0.506 63.673 63.200 -0.054 0.000 0.859 268 S HN 0.438 nan 8.310 nan 0.000 0.514 269 K N 2.517 122.915 120.400 -0.003 0.000 2.394 269 K HA 0.379 4.699 4.320 0.000 0.000 0.260 269 K C -0.781 175.816 176.600 -0.004 0.000 0.967 269 K CA -0.533 55.751 56.287 -0.004 0.000 0.855 269 K CB 1.125 33.646 32.500 0.034 0.000 1.101 269 K HN 0.451 nan 8.250 nan 0.000 0.433 270 I N 3.249 123.811 120.570 -0.013 0.000 2.337 270 I HA 0.099 4.269 4.170 0.000 0.000 0.291 270 I C 0.703 176.798 176.117 -0.036 0.000 1.046 270 I CA 0.407 61.687 61.300 -0.033 0.000 1.324 270 I CB 0.685 38.680 38.000 -0.009 0.000 1.409 270 I HN 0.755 nan 8.210 nan 0.000 0.494 271 E N 4.537 124.703 120.200 -0.057 0.000 2.676 271 E HA 0.097 4.447 4.350 0.000 0.000 0.225 271 E C 0.012 176.610 176.600 -0.003 0.000 0.944 271 E CA -0.123 56.294 56.400 0.028 0.000 1.156 271 E CB 0.877 30.720 29.700 0.238 0.000 1.117 271 E HN 0.859 nan 8.360 nan 0.000 0.523 272 N N -2.077 116.543 118.700 -0.133 0.000 3.316 272 N HA 0.139 4.879 4.740 0.000 0.000 0.300 272 N C 0.477 175.932 175.510 -0.092 0.000 1.567 272 N CA -0.625 52.368 53.050 -0.095 0.000 0.821 272 N CB 1.120 39.532 38.487 -0.125 0.000 1.748 272 N HN -0.213 nan 8.380 nan 0.000 0.603 273 H N -0.052 118.946 119.070 -0.120 0.000 2.280 273 H HA -0.101 4.455 4.556 0.000 0.000 0.294 273 H C 1.432 176.693 175.328 -0.111 0.000 1.064 273 H CA 2.554 58.540 56.048 -0.103 0.000 1.208 273 H CB -0.028 29.683 29.762 -0.086 0.000 1.365 273 H HN 0.607 nan 8.280 nan 0.000 0.511 274 E N -0.573 119.660 120.200 0.056 0.000 2.136 274 E HA -0.271 4.079 4.350 0.000 0.000 0.208 274 E C 2.369 178.923 176.600 -0.076 0.000 1.035 274 E CA 1.244 57.627 56.400 -0.027 0.000 0.838 274 E CB -0.570 29.074 29.700 -0.093 0.000 0.748 274 E HN 0.688 nan 8.360 nan 0.000 0.459 275 G N 0.626 109.345 108.800 -0.136 0.000 2.446 275 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 275 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 275 G C 1.759 176.644 174.900 -0.025 0.000 1.168 275 G CA 1.080 46.113 45.100 -0.112 0.000 0.771 275 G HN 0.202 nan 8.290 nan 0.000 0.551 276 V N 0.927 120.795 119.914 -0.077 0.000 2.255 276 V HA -0.184 3.936 4.120 0.000 0.000 0.247 276 V C 2.788 178.865 176.094 -0.028 0.000 1.051 276 V CA 2.261 64.505 62.300 -0.092 0.000 1.018 276 V CB -0.442 31.245 31.823 -0.226 0.000 0.641 276 V HN 0.466 nan 8.190 nan 0.000 0.445 277 R N -0.164 120.304 120.500 -0.053 0.000 2.285 277 R HA -0.065 4.275 4.340 0.000 0.000 0.213 277 R C 1.811 178.118 176.300 0.012 0.000 1.068 277 R CA 1.198 57.289 56.100 -0.016 0.000 1.004 277 R CB -0.001 30.304 30.300 0.010 0.000 0.873 277 R HN 0.346 nan 8.270 nan 0.000 0.467 278 R N -0.793 119.717 120.500 0.017 0.000 2.629 278 R HA 0.090 4.430 4.340 0.000 0.000 0.386 278 R C 0.589 176.882 176.300 -0.012 0.000 1.071 278 R CA -0.345 55.749 56.100 -0.009 0.000 1.104 278 R CB 0.070 30.344 30.300 -0.044 0.000 1.370 278 R HN 0.093 nan 8.270 nan 0.000 0.574 279 F N 1.624 121.518 119.950 -0.094 0.000 2.063 279 F HA -0.342 4.185 4.527 0.000 0.000 0.298 279 F C 1.594 177.346 175.800 -0.080 0.000 1.109 279 F CA 2.053 59.997 58.000 -0.094 0.000 1.212 279 F CB 0.107 39.049 39.000 -0.097 0.000 0.973 279 F HN 0.101 nan 8.300 nan 0.000 0.480 280 D N 0.255 120.580 120.400 -0.125 0.000 2.126 280 D HA -0.270 4.370 4.640 0.000 0.000 0.190 280 D C 2.102 178.254 176.300 -0.246 0.000 1.001 280 D CA 2.117 56.005 54.000 -0.186 0.000 0.841 280 D CB -0.585 40.186 40.800 -0.047 0.000 0.949 280 D HN 0.698 nan 8.370 nan 0.000 0.446 281 E N 0.302 120.392 120.200 -0.185 0.000 2.208 281 E HA -0.066 4.284 4.350 0.000 0.000 0.193 281 E C 2.302 178.771 176.600 -0.218 0.000 0.988 281 E CA 0.446 56.749 56.400 -0.162 0.000 0.828 281 E CB -0.280 29.354 29.700 -0.110 0.000 0.763 281 E HN 0.295 nan 8.360 nan 0.000 0.478 282 I N 1.113 121.507 120.570 -0.294 0.000 2.193 282 I HA -0.202 3.968 4.170 0.000 0.000 0.240 282 I C 2.616 178.508 176.117 -0.375 0.000 1.084 282 I CA 0.692 61.806 61.300 -0.310 0.000 1.365 282 I CB -0.218 37.608 38.000 -0.289 0.000 1.064 282 I HN 0.180 nan 8.210 nan 0.000 0.410 283 L N 0.898 121.738 121.223 -0.638 0.000 2.013 283 L HA -0.298 4.042 4.340 0.000 0.000 0.212 283 L C 2.574 179.273 176.870 -0.286 0.000 1.073 283 L CA 2.004 56.504 54.840 -0.567 0.000 0.753 283 L CB -0.425 41.160 42.059 -0.790 0.000 0.890 283 L HN 0.371 nan 8.230 nan 0.000 0.432 284 E N -0.632 119.423 120.200 -0.241 0.000 2.267 284 E HA -0.223 4.127 4.350 0.000 0.000 0.197 284 E C 1.721 178.274 176.600 -0.079 0.000 0.998 284 E CA 1.092 57.415 56.400 -0.128 0.000 0.830 284 E CB 0.099 29.738 29.700 -0.102 0.000 0.751 284 E HN 0.601 nan 8.360 nan 0.000 0.491 285 A N 0.026 122.783 122.820 -0.104 0.000 2.140 285 A HA 0.183 4.503 4.320 0.000 0.000 0.209 285 A C 1.240 178.795 177.584 -0.048 0.000 1.181 285 A CA -0.080 51.933 52.037 -0.041 0.000 0.824 285 A CB 0.365 19.306 19.000 -0.099 0.000 0.879 285 A HN 0.144 nan 8.150 nan 0.000 0.480 286 S N 0.276 115.916 115.700 -0.101 0.000 2.641 286 S HA 0.222 4.692 4.470 0.000 0.000 0.261 286 S C 0.143 174.714 174.600 -0.047 0.000 1.257 286 S CA -0.166 57.987 58.200 -0.079 0.000 0.983 286 S CB 0.545 63.679 63.200 -0.110 0.000 0.990 286 S HN 0.377 nan 8.310 nan 0.000 0.572 287 D N -0.369 120.013 120.400 -0.030 0.000 2.449 287 D HA 0.328 4.968 4.640 0.000 0.000 0.210 287 D C 0.596 176.868 176.300 -0.047 0.000 1.094 287 D CA 0.403 54.395 54.000 -0.013 0.000 0.846 287 D CB 0.911 41.724 40.800 0.021 0.000 1.003 287 D HN 0.637 nan 8.370 nan 0.000 0.504 288 G N -0.040 108.721 108.800 -0.066 0.000 2.488 288 G HA2 0.507 4.467 3.960 0.000 0.000 0.301 288 G HA3 0.507 4.467 3.960 0.000 0.000 0.301 288 G C -1.788 173.063 174.900 -0.083 0.000 1.339 288 G CA -0.549 44.490 45.100 -0.102 0.000 0.803 288 G HN -0.059 nan 8.290 nan 0.000 0.482 289 I N 0.305 120.821 120.570 -0.089 0.000 2.827 289 I HA 0.511 4.681 4.170 0.000 0.000 0.298 289 I C -0.799 175.253 176.117 -0.109 0.000 1.235 289 I CA -0.594 60.677 61.300 -0.048 0.000 1.021 289 I CB 2.347 40.404 38.000 0.096 0.000 1.259 289 I HN 0.632 nan 8.210 nan 0.000 0.427 290 M N 4.922 124.453 119.600 -0.116 0.000 2.395 290 M HA 0.510 4.990 4.480 0.000 0.000 0.307 290 M C -1.730 174.511 176.300 -0.099 0.000 1.091 290 M CA -0.710 54.491 55.300 -0.165 0.000 0.919 290 M CB 2.325 34.747 32.600 -0.297 0.000 1.662 290 M HN 0.299 nan 8.290 nan 0.000 0.440 291 V N 4.517 124.372 119.914 -0.098 0.000 2.304 291 V HA 0.339 4.459 4.120 0.000 0.000 0.262 291 V C 0.543 176.604 176.094 -0.055 0.000 1.061 291 V CA -0.484 61.769 62.300 -0.078 0.000 0.872 291 V CB 0.434 32.206 31.823 -0.084 0.000 1.077 291 V HN 0.886 nan 8.190 nan 0.000 0.480 292 A N 5.462 128.260 122.820 -0.036 0.000 3.026 292 A HA 0.265 4.585 4.320 0.000 0.000 0.272 292 A C 1.610 179.195 177.584 0.001 0.000 1.782 292 A CA -0.241 51.793 52.037 -0.005 0.000 1.451 292 A CB -0.484 18.530 19.000 0.024 0.000 1.081 292 A HN 0.881 nan 8.150 nan 0.000 0.611 293 R N 1.172 121.669 120.500 -0.004 0.000 2.094 293 R HA -0.197 4.143 4.340 0.000 0.000 0.239 293 R C 2.410 178.723 176.300 0.021 0.000 1.137 293 R CA 1.845 57.947 56.100 0.003 0.000 0.943 293 R CB -0.527 29.778 30.300 0.007 0.000 0.850 293 R HN 0.690 nan 8.270 nan 0.000 0.433 294 G N 1.263 110.082 108.800 0.031 0.000 2.764 294 G HA2 -0.389 3.571 3.960 0.000 0.000 0.219 294 G HA3 -0.389 3.571 3.960 0.000 0.000 0.219 294 G C 0.875 175.805 174.900 0.051 0.000 1.259 294 G CA 1.770 46.896 45.100 0.044 0.000 0.793 294 G HN 0.270 nan 8.290 nan 0.000 0.633 295 D N -0.302 120.130 120.400 0.053 0.000 2.084 295 D HA -0.069 4.571 4.640 0.000 0.000 0.194 295 D C 2.446 178.779 176.300 0.055 0.000 0.990 295 D CA 0.364 54.402 54.000 0.064 0.000 0.826 295 D CB -0.441 40.412 40.800 0.088 0.000 0.971 295 D HN 0.093 nan 8.370 nan 0.000 0.453 296 L N 0.843 122.089 121.223 0.038 0.000 2.064 296 L HA -0.151 4.189 4.340 0.000 0.000 0.216 296 L C 2.241 179.118 176.870 0.011 0.000 1.077 296 L CA 2.075 56.920 54.840 0.007 0.000 0.766 296 L CB -1.301 40.745 42.059 -0.020 0.000 0.890 296 L HN 0.169 nan 8.230 nan 0.000 0.435 297 G N -1.478 107.340 108.800 0.031 0.000 2.470 297 G HA2 -0.204 3.756 3.960 0.000 0.000 0.220 297 G HA3 -0.204 3.756 3.960 0.000 0.000 0.220 297 G C 1.554 176.500 174.900 0.077 0.000 1.121 297 G CA 1.117 46.246 45.100 0.049 0.000 0.766 297 G HN 0.520 nan 8.290 nan 0.000 0.553 298 I N -0.950 119.661 120.570 0.070 0.000 3.039 298 I HA 0.169 4.339 4.170 0.000 0.000 0.270 298 I C 2.262 178.326 176.117 -0.089 0.000 1.150 298 I CA 0.369 61.717 61.300 0.080 0.000 1.448 298 I CB 0.150 38.214 38.000 0.108 0.000 1.197 298 I HN 0.036 nan 8.210 nan 0.000 0.450 299 E N 1.470 121.637 120.200 -0.055 0.000 2.347 299 E HA 0.020 4.370 4.350 0.000 0.000 0.196 299 E C 0.497 177.092 176.600 -0.008 0.000 1.008 299 E CA 0.570 56.931 56.400 -0.066 0.000 0.852 299 E CB 0.264 29.974 29.700 0.017 0.000 0.783 299 E HN 0.531 nan 8.360 nan 0.000 0.505 300 I N -3.823 116.753 120.570 0.010 0.000 2.865 300 I HA 0.545 4.715 4.170 0.000 0.000 0.302 300 I C -2.768 173.371 176.117 0.037 0.000 1.140 300 I CA -3.198 58.123 61.300 0.036 0.000 1.021 300 I CB 2.298 40.289 38.000 -0.015 0.000 1.233 300 I HN -0.327 nan 8.210 nan 0.000 0.427 301 P HA 0.099 nan 4.420 nan 0.000 0.265 301 P C 0.478 177.803 177.300 0.042 0.000 1.193 301 P CA 0.083 63.217 63.100 0.057 0.000 0.765 301 P CB 1.074 32.805 31.700 0.051 0.000 0.823 302 A N 4.102 126.960 122.820 0.064 0.000 1.908 302 A HA -0.257 4.063 4.320 0.000 0.000 0.218 302 A C 1.783 179.417 177.584 0.084 0.000 1.181 302 A CA 1.948 54.026 52.037 0.067 0.000 0.627 302 A CB -1.172 17.873 19.000 0.075 0.000 0.818 302 A HN 0.634 nan 8.150 nan 0.000 0.445 303 E N 0.551 120.809 120.200 0.097 0.000 2.160 303 E HA -0.187 4.163 4.350 0.000 0.000 0.195 303 E C 1.678 178.345 176.600 0.112 0.000 0.991 303 E CA 1.492 57.993 56.400 0.168 0.000 0.810 303 E CB -0.256 29.530 29.700 0.144 0.000 0.742 303 E HN 0.653 nan 8.360 nan 0.000 0.466 304 K N 0.744 121.120 120.400 -0.041 0.000 2.432 304 K HA 0.011 4.331 4.320 0.000 0.000 0.196 304 K C 1.878 178.286 176.600 -0.320 0.000 1.038 304 K CA 0.486 56.635 56.287 -0.230 0.000 0.986 304 K CB 0.108 32.512 32.500 -0.160 0.000 0.782 304 K HN 0.001 nan 8.250 nan 0.000 0.485 305 V N 2.037 121.863 119.914 -0.145 0.000 2.231 305 V HA -0.319 3.801 4.120 0.000 0.000 0.248 305 V C 2.156 178.166 176.094 -0.139 0.000 1.054 305 V CA 2.233 64.471 62.300 -0.104 0.000 1.015 305 V CB -0.842 30.983 31.823 0.004 0.000 0.638 305 V HN 0.363 nan 8.190 nan 0.000 0.444 306 F N 0.427 120.351 119.950 -0.044 0.000 2.154 306 F HA -0.193 4.334 4.527 0.000 0.000 0.301 306 F C 2.057 177.819 175.800 -0.064 0.000 1.087 306 F CA 1.618 59.590 58.000 -0.047 0.000 1.274 306 F CB -1.277 37.704 39.000 -0.031 0.000 1.009 306 F HN 0.072 nan 8.300 nan 0.000 0.485 307 L N 0.848 121.427 121.223 -1.072 0.000 2.012 307 L HA -0.202 4.138 4.340 0.000 0.000 0.210 307 L C 3.025 179.681 176.870 -0.356 0.000 1.073 307 L CA 1.464 55.898 54.840 -0.677 0.000 0.748 307 L CB -1.304 40.340 42.059 -0.693 0.000 0.891 307 L HN 0.399 nan 8.230 nan 0.000 0.431 308 A N -0.747 121.873 122.820 -0.333 0.000 1.969 308 A HA -0.237 4.083 4.320 0.000 0.000 0.218 308 A C 2.260 179.700 177.584 -0.241 0.000 1.169 308 A CA 1.535 53.405 52.037 -0.277 0.000 0.635 308 A CB -0.478 18.369 19.000 -0.255 0.000 0.810 308 A HN 0.512 nan 8.150 nan 0.000 0.445 309 Q N 0.412 120.109 119.800 -0.171 0.000 1.975 309 Q HA -0.248 4.092 4.340 0.000 0.000 0.205 309 Q C 1.910 177.832 176.000 -0.130 0.000 0.990 309 Q CA 2.169 57.898 55.803 -0.122 0.000 0.845 309 Q CB -0.243 28.471 28.738 -0.040 0.000 0.913 309 Q HN 0.690 nan 8.270 nan 0.000 0.420 310 K N 0.269 120.619 120.400 -0.083 0.000 2.074 310 K HA -0.201 4.119 4.320 0.000 0.000 0.209 310 K C 2.268 178.793 176.600 -0.125 0.000 1.048 310 K CA 1.559 57.803 56.287 -0.070 0.000 0.926 310 K CB -0.495 32.002 32.500 -0.006 0.000 0.713 310 K HN 0.389 nan 8.250 nan 0.000 0.444 311 M N 1.705 121.199 119.600 -0.176 0.000 2.065 311 M HA -0.205 4.275 4.480 0.000 0.000 0.259 311 M C 2.179 178.305 176.300 -0.290 0.000 1.071 311 M CA 1.715 56.887 55.300 -0.213 0.000 1.109 311 M CB -0.322 32.124 32.600 -0.256 0.000 1.313 311 M HN 0.159 nan 8.290 nan 0.000 0.408 312 I N 0.904 121.211 120.570 -0.439 0.000 2.068 312 I HA -0.410 3.760 4.170 0.000 0.000 0.238 312 I C 2.435 178.382 176.117 -0.282 0.000 1.046 312 I CA 1.789 62.709 61.300 -0.633 0.000 1.306 312 I CB -0.432 37.216 38.000 -0.587 0.000 1.023 312 I HN 0.369 nan 8.210 nan 0.000 0.399 313 I N 0.390 120.847 120.570 -0.188 0.000 2.315 313 I HA -0.267 3.903 4.170 0.000 0.000 0.251 313 I C 2.570 178.642 176.117 -0.075 0.000 1.125 313 I CA 1.616 62.855 61.300 -0.102 0.000 1.392 313 I CB -1.485 36.465 38.000 -0.083 0.000 1.065 313 I HN 0.381 nan 8.210 nan 0.000 0.424 314 G N 0.909 109.653 108.800 -0.093 0.000 2.484 314 G HA2 -0.249 3.711 3.960 0.000 0.000 0.215 314 G HA3 -0.249 3.711 3.960 0.000 0.000 0.215 314 G C 1.784 176.664 174.900 -0.033 0.000 1.219 314 G CA 0.591 45.652 45.100 -0.065 0.000 0.791 314 G HN 0.218 nan 8.290 nan 0.000 0.550 315 R N -0.631 119.854 120.500 -0.026 0.000 2.133 315 R HA -0.126 4.214 4.340 0.000 0.000 0.247 315 R C 2.695 179.066 176.300 0.118 0.000 1.151 315 R CA 1.791 57.941 56.100 0.083 0.000 0.971 315 R CB -0.727 29.693 30.300 0.199 0.000 0.866 315 R HN 0.471 nan 8.270 nan 0.000 0.447 316 C N -0.589 118.773 119.300 0.103 0.000 2.508 316 C HA 0.009 4.469 4.460 0.000 0.000 0.280 316 C C 2.115 177.104 174.990 -0.002 0.000 1.262 316 C CA 0.537 59.596 59.018 0.067 0.000 1.706 316 C CB -1.167 26.604 27.740 0.051 0.000 2.078 316 C HN 0.607 nan 8.230 nan 0.000 0.480 317 N N 0.452 119.138 118.700 -0.023 0.000 2.132 317 N HA -0.229 4.511 4.740 0.000 0.000 0.191 317 N C 2.092 177.570 175.510 -0.055 0.000 1.015 317 N CA 1.087 54.112 53.050 -0.042 0.000 0.864 317 N CB -0.302 38.160 38.487 -0.040 0.000 1.006 317 N HN 0.515 nan 8.380 nan 0.000 0.430 318 R N 1.334 121.814 120.500 -0.033 0.000 2.083 318 R HA -0.090 4.250 4.340 0.000 0.000 0.237 318 R C 1.685 177.969 176.300 -0.027 0.000 1.137 318 R CA 1.697 57.780 56.100 -0.028 0.000 0.951 318 R CB -0.201 30.094 30.300 -0.008 0.000 0.851 318 R HN 0.165 nan 8.270 nan 0.000 0.434 319 A N -0.540 122.273 122.820 -0.011 0.000 2.251 319 A HA 0.245 4.565 4.320 0.000 0.000 0.209 319 A C 1.067 178.635 177.584 -0.027 0.000 1.187 319 A CA 0.699 52.732 52.037 -0.007 0.000 0.823 319 A CB 0.118 19.121 19.000 0.005 0.000 0.846 319 A HN 0.624 nan 8.150 nan 0.000 0.486 320 G N -0.316 108.455 108.800 -0.049 0.000 2.204 320 G HA2 -0.199 3.761 3.960 0.000 0.000 0.244 320 G HA3 -0.199 3.761 3.960 0.000 0.000 0.244 320 G C -0.219 174.681 174.900 0.000 0.000 1.062 320 G CA 0.346 45.422 45.100 -0.041 0.000 0.798 320 G HN 0.565 nan 8.290 nan 0.000 0.496 321 K N 0.538 120.914 120.400 -0.041 0.000 2.378 321 K HA 0.559 4.879 4.320 0.000 0.000 0.252 321 K C -2.669 173.835 176.600 -0.161 0.000 0.931 321 K CA -2.232 53.998 56.287 -0.094 0.000 0.794 321 K CB 3.042 35.501 32.500 -0.068 0.000 1.181 321 K HN 0.014 nan 8.250 nan 0.000 0.425 322 P HA 0.112 nan 4.420 nan 0.000 0.271 322 P C -0.813 176.362 177.300 -0.209 0.000 1.218 322 P CA -0.400 62.489 63.100 -0.353 0.000 0.780 322 P CB 0.789 32.130 31.700 -0.600 0.000 0.901 323 V N 3.574 123.395 119.914 -0.155 0.000 2.789 323 V HA 0.460 4.580 4.120 0.000 0.000 0.311 323 V C 0.236 176.258 176.094 -0.120 0.000 1.073 323 V CA -0.644 61.586 62.300 -0.116 0.000 0.921 323 V CB 2.074 33.849 31.823 -0.080 0.000 1.009 323 V HN 0.370 nan 8.190 nan 0.000 0.426 324 I N 2.741 123.229 120.570 -0.137 0.000 2.441 324 I HA 0.502 4.672 4.170 0.000 0.000 0.295 324 I C -0.395 175.658 176.117 -0.106 0.000 0.994 324 I CA -0.330 60.889 61.300 -0.136 0.000 1.144 324 I CB 1.809 39.673 38.000 -0.227 0.000 1.314 324 I HN 0.658 nan 8.210 nan 0.000 0.445 325 C N 5.884 125.141 119.300 -0.071 0.000 2.355 325 C HA 0.926 5.386 4.460 0.000 0.000 0.332 325 C C 0.138 175.105 174.990 -0.038 0.000 1.255 325 C CA -0.029 58.959 59.018 -0.050 0.000 1.792 325 C CB 0.078 27.801 27.740 -0.028 0.000 2.300 325 C HN 0.892 nan 8.230 nan 0.000 0.515 326 A N 3.910 126.712 122.820 -0.031 0.000 2.556 326 A HA 0.916 5.237 4.320 0.000 0.000 0.294 326 A C -0.231 177.358 177.584 0.008 0.000 1.091 326 A CA -0.104 51.926 52.037 -0.012 0.000 0.704 326 A CB 0.987 19.971 19.000 -0.025 0.000 1.300 326 A HN 1.510 nan 8.150 nan 0.000 0.406 327 T N 1.087 115.655 114.554 0.024 0.000 0.550 327 T HA -0.103 4.247 4.350 0.000 0.000 0.773 327 T C 0.168 174.889 174.700 0.035 0.000 0.992 327 T CA 0.934 63.055 62.100 0.034 0.000 4.071 327 T CB -1.069 67.819 68.868 0.034 0.000 2.300 327 T HN 1.608 nan 8.240 nan 0.000 0.397 328 Q N -0.101 119.724 119.800 0.042 0.000 2.468 328 Q HA -0.277 4.063 4.340 0.000 0.000 0.256 328 Q C 1.510 177.532 176.000 0.037 0.000 0.984 328 Q CA 1.546 57.373 55.803 0.041 0.000 1.110 328 Q CB -1.100 27.663 28.738 0.041 0.000 1.527 328 Q HN 0.828 nan 8.270 nan 0.000 0.535 329 M N -1.013 118.609 119.600 0.036 0.000 2.200 329 M HA -0.098 4.382 4.480 0.000 0.000 0.265 329 M C 0.986 177.307 176.300 0.034 0.000 1.066 329 M CA 1.156 56.476 55.300 0.033 0.000 1.127 329 M CB 0.113 32.733 32.600 0.033 0.000 1.379 329 M HN 0.141 nan 8.290 nan 0.000 0.420 330 L N -0.294 120.954 121.223 0.041 0.000 3.267 330 L HA 0.204 4.544 4.340 0.000 0.000 0.289 330 L C 1.377 178.275 176.870 0.047 0.000 1.260 330 L CA 0.239 55.104 54.840 0.042 0.000 1.034 330 L CB -0.230 41.859 42.059 0.049 0.000 1.413 330 L HN 0.052 nan 8.230 nan 0.000 0.594 331 E N 0.477 120.704 120.200 0.046 0.000 2.110 331 E HA -0.371 3.979 4.350 0.000 0.000 0.225 331 E C 2.065 178.696 176.600 0.051 0.000 1.063 331 E CA 2.216 58.646 56.400 0.050 0.000 0.906 331 E CB -0.485 29.241 29.700 0.044 0.000 0.795 331 E HN 0.556 nan 8.360 nan 0.000 0.479 332 S N 0.665 116.388 115.700 0.038 0.000 2.409 332 S HA -0.282 4.188 4.470 0.000 0.000 0.237 332 S C 2.050 176.672 174.600 0.037 0.000 1.060 332 S CA 2.262 60.480 58.200 0.031 0.000 1.052 332 S CB -0.479 62.730 63.200 0.015 0.000 0.871 332 S HN 0.290 nan 8.310 nan 0.000 0.465 333 M N 0.517 120.141 119.600 0.039 0.000 2.446 333 M HA 0.080 4.560 4.480 0.000 0.000 0.263 333 M C 1.751 178.133 176.300 0.136 0.000 1.066 333 M CA 1.024 56.352 55.300 0.048 0.000 1.087 333 M CB -0.305 32.323 32.600 0.048 0.000 1.406 333 M HN 0.396 nan 8.290 nan 0.000 0.459 334 I N 0.094 120.737 120.570 0.122 0.000 2.194 334 I HA -0.340 3.830 4.170 0.000 0.000 0.246 334 I C 1.821 178.060 176.117 0.203 0.000 1.093 334 I CA 1.617 63.002 61.300 0.142 0.000 1.355 334 I CB -0.528 37.530 38.000 0.096 0.000 1.046 334 I HN 0.301 nan 8.210 nan 0.000 0.413 335 K N -0.090 120.424 120.400 0.190 0.000 2.374 335 K HA 0.219 4.539 4.320 0.000 0.000 0.202 335 K C 0.335 177.095 176.600 0.267 0.000 1.040 335 K CA 0.100 56.524 56.287 0.227 0.000 1.085 335 K CB 1.091 33.668 32.500 0.128 0.000 0.873 335 K HN 0.232 nan 8.250 nan 0.000 0.539 336 K N 0.595 121.066 120.400 0.118 0.000 2.350 336 K HA 0.284 4.604 4.320 0.000 0.000 0.241 336 K C -2.254 174.005 176.600 -0.569 0.000 0.994 336 K CA -1.734 54.460 56.287 -0.154 0.000 0.839 336 K CB 2.180 34.626 32.500 -0.091 0.000 1.244 336 K HN -0.308 nan 8.250 nan 0.000 0.443 337 P HA 0.133 nan 4.420 nan 0.000 0.259 337 P C -0.258 176.859 177.300 -0.306 0.000 1.233 337 P CA 0.221 62.832 63.100 -0.815 0.000 0.827 337 P CB 0.858 32.102 31.700 -0.760 0.000 1.154 338 R N 1.265 121.635 120.500 -0.216 0.000 2.360 338 R HA 0.445 4.785 4.340 0.000 0.000 0.318 338 R C -2.584 173.675 176.300 -0.069 0.000 0.950 338 R CA -2.103 53.931 56.100 -0.109 0.000 0.837 338 R CB 1.523 31.769 30.300 -0.090 0.000 1.165 338 R HN 0.089 nan 8.270 nan 0.000 0.458 339 P HA 0.168 nan 4.420 nan 0.000 0.277 339 P C 0.067 177.358 177.300 -0.015 0.000 1.271 339 P CA -0.280 62.810 63.100 -0.017 0.000 0.795 339 P CB 0.478 32.176 31.700 -0.002 0.000 1.101 340 T N -1.518 113.032 114.554 -0.006 0.000 2.833 340 T HA 0.307 4.657 4.350 0.000 0.000 0.292 340 T C 1.409 176.105 174.700 -0.006 0.000 1.031 340 T CA -0.598 61.499 62.100 -0.006 0.000 0.937 340 T CB 0.374 69.242 68.868 -0.001 0.000 1.256 340 T HN 0.138 nan 8.240 nan 0.000 0.551 341 R N 0.265 120.761 120.500 -0.007 0.000 2.062 341 R HA 0.174 4.514 4.340 0.000 0.000 0.229 341 R C 2.710 179.005 176.300 -0.008 0.000 1.128 341 R CA 1.438 57.532 56.100 -0.009 0.000 0.960 341 R CB -1.817 28.476 30.300 -0.011 0.000 0.855 341 R HN 0.786 nan 8.270 nan 0.000 0.432 342 A N 1.204 124.021 122.820 -0.006 0.000 1.972 342 A HA -0.167 4.153 4.320 0.000 0.000 0.219 342 A C 2.083 179.667 177.584 -0.000 0.000 1.169 342 A CA 1.468 53.501 52.037 -0.006 0.000 0.635 342 A CB -0.325 18.672 19.000 -0.005 0.000 0.810 342 A HN 0.358 nan 8.150 nan 0.000 0.446 343 E N -0.636 119.566 120.200 0.004 0.000 2.051 343 E HA -0.090 4.260 4.350 0.000 0.000 0.192 343 E C 2.191 178.797 176.600 0.010 0.000 0.991 343 E CA 0.962 57.368 56.400 0.010 0.000 0.799 343 E CB -0.396 29.311 29.700 0.013 0.000 0.748 343 E HN 0.582 nan 8.360 nan 0.000 0.449 344 G N 0.789 109.593 108.800 0.006 0.000 2.459 344 G HA2 -0.372 3.588 3.960 0.000 0.000 0.217 344 G HA3 -0.372 3.588 3.960 0.000 0.000 0.217 344 G C 1.705 176.608 174.900 0.005 0.000 1.183 344 G CA 1.591 46.694 45.100 0.006 0.000 0.776 344 G HN 0.426 nan 8.290 nan 0.000 0.552 345 S N 0.973 116.673 115.700 -0.001 0.000 2.372 345 S HA -0.277 4.193 4.470 0.000 0.000 0.227 345 S C 1.953 176.555 174.600 0.002 0.000 1.044 345 S CA 2.084 60.282 58.200 -0.003 0.000 1.050 345 S CB -0.677 62.515 63.200 -0.012 0.000 0.901 345 S HN 0.361 nan 8.310 nan 0.000 0.447 346 D N 1.474 121.877 120.400 0.004 0.000 2.116 346 D HA -0.106 4.534 4.640 0.000 0.000 0.193 346 D C 1.937 178.246 176.300 0.015 0.000 0.998 346 D CA 1.586 55.592 54.000 0.010 0.000 0.836 346 D CB -0.544 40.265 40.800 0.014 0.000 0.951 346 D HN 0.360 nan 8.370 nan 0.000 0.449 347 V N 1.256 121.180 119.914 0.017 0.000 2.223 347 V HA -0.222 3.898 4.120 0.000 0.000 0.244 347 V C 2.754 178.860 176.094 0.020 0.000 1.045 347 V CA 2.135 64.447 62.300 0.021 0.000 1.000 347 V CB -1.283 30.554 31.823 0.024 0.000 0.635 347 V HN 0.320 nan 8.190 nan 0.000 0.445 348 A N 0.467 123.298 122.820 0.018 0.000 1.873 348 A HA -0.340 3.980 4.320 0.000 0.000 0.218 348 A C 2.033 179.631 177.584 0.022 0.000 1.193 348 A CA 2.755 54.803 52.037 0.019 0.000 0.629 348 A CB -1.074 17.934 19.000 0.013 0.000 0.826 348 A HN 0.681 nan 8.150 nan 0.000 0.447 349 N N -0.077 118.634 118.700 0.019 0.000 2.120 349 N HA -0.026 4.714 4.740 0.000 0.000 0.188 349 N C 1.860 177.383 175.510 0.021 0.000 1.024 349 N CA 1.391 54.455 53.050 0.023 0.000 0.852 349 N CB -0.331 38.165 38.487 0.016 0.000 1.003 349 N HN 0.497 nan 8.380 nan 0.000 0.424 350 A N 0.355 123.185 122.820 0.017 0.000 1.986 350 A HA -0.143 4.177 4.320 0.000 0.000 0.220 350 A C 2.233 179.824 177.584 0.012 0.000 1.171 350 A CA 1.365 53.410 52.037 0.012 0.000 0.640 350 A CB -0.777 18.230 19.000 0.012 0.000 0.811 350 A HN 0.142 nan 8.150 nan 0.000 0.451 351 V N -0.358 119.568 119.914 0.019 0.000 2.453 351 V HA -0.161 3.959 4.120 0.000 0.000 0.247 351 V C 2.430 178.538 176.094 0.023 0.000 1.048 351 V CA 1.342 63.657 62.300 0.024 0.000 1.049 351 V CB -0.676 31.166 31.823 0.032 0.000 0.672 351 V HN 0.436 nan 8.190 nan 0.000 0.457 352 L N 0.102 121.341 121.223 0.028 0.000 2.005 352 L HA -0.111 4.229 4.340 0.000 0.000 0.207 352 L C 2.329 179.204 176.870 0.008 0.000 1.072 352 L CA 1.826 56.684 54.840 0.030 0.000 0.744 352 L CB -1.659 40.433 42.059 0.055 0.000 0.895 352 L HN 0.315 nan 8.230 nan 0.000 0.433 353 D N 0.150 120.553 120.400 0.006 0.000 2.218 353 D HA -0.193 4.447 4.640 0.000 0.000 0.194 353 D C 1.650 177.937 176.300 -0.021 0.000 1.007 353 D CA 1.798 55.793 54.000 -0.009 0.000 0.879 353 D CB -0.210 40.587 40.800 -0.004 0.000 0.918 353 D HN 0.518 nan 8.370 nan 0.000 0.449 354 G N -1.247 107.545 108.800 -0.014 0.000 2.151 354 G HA2 -0.026 3.934 3.960 0.000 0.000 0.140 354 G HA3 -0.026 3.934 3.960 0.000 0.000 0.140 354 G C 0.284 175.172 174.900 -0.020 0.000 1.020 354 G CA 0.197 45.287 45.100 -0.017 0.000 0.688 354 G HN 0.609 nan 8.290 nan 0.000 0.500 355 A N 0.522 123.330 122.820 -0.019 0.000 2.545 355 A HA 0.418 4.738 4.320 0.000 0.000 0.253 355 A C 1.359 178.928 177.584 -0.024 0.000 1.074 355 A CA 1.030 53.050 52.037 -0.028 0.000 0.760 355 A CB 0.176 19.165 19.000 -0.019 0.000 1.005 355 A HN 0.291 nan 8.150 nan 0.000 0.506 356 D N 0.632 121.003 120.400 -0.048 0.000 2.149 356 D HA -0.080 4.560 4.640 0.000 0.000 0.198 356 D C 0.535 176.823 176.300 -0.020 0.000 0.990 356 D CA 1.923 55.894 54.000 -0.049 0.000 0.839 356 D CB -0.057 40.669 40.800 -0.123 0.000 0.948 356 D HN 0.759 nan 8.370 nan 0.000 0.460 357 C N -0.432 118.852 119.300 -0.027 0.000 3.318 357 C HA 0.715 5.175 4.460 0.000 0.000 0.322 357 C C -0.234 174.752 174.990 -0.006 0.000 1.398 357 C CA -1.419 57.599 59.018 -0.001 0.000 1.339 357 C CB 1.381 29.130 27.740 0.015 0.000 1.668 357 C HN 0.201 nan 8.230 nan 0.000 0.462 358 I N -0.456 120.124 120.570 0.017 0.000 2.957 358 I HA 0.889 5.059 4.170 0.000 0.000 0.310 358 I C -0.836 175.299 176.117 0.030 0.000 1.063 358 I CA -0.950 60.361 61.300 0.019 0.000 1.033 358 I CB 1.982 40.002 38.000 0.032 0.000 1.230 358 I HN 0.995 nan 8.210 nan 0.000 0.447 359 M N 3.937 123.555 119.600 0.031 0.000 2.465 359 M HA 0.573 5.053 4.480 0.000 0.000 0.284 359 M C -2.492 173.839 176.300 0.052 0.000 1.212 359 M CA -0.567 54.761 55.300 0.046 0.000 0.910 359 M CB 2.756 35.386 32.600 0.050 0.000 1.725 359 M HN 0.699 nan 8.290 nan 0.000 0.477 360 L N 2.244 123.504 121.223 0.062 0.000 2.334 360 L HA 0.625 4.965 4.340 0.000 0.000 0.276 360 L C 0.215 177.128 176.870 0.072 0.000 1.014 360 L CA -0.153 54.726 54.840 0.065 0.000 0.815 360 L CB 2.023 44.122 42.059 0.067 0.000 1.268 360 L HN 0.866 nan 8.230 nan 0.000 0.428 361 S N 1.056 116.799 115.700 0.072 0.000 2.967 361 S HA 0.149 4.619 4.470 0.000 0.000 0.167 361 S C 1.642 176.292 174.600 0.082 0.000 0.696 361 S CA 0.358 58.607 58.200 0.080 0.000 0.874 361 S CB -0.432 62.813 63.200 0.077 0.000 0.718 361 S HN 0.886 nan 8.310 nan 0.000 0.634 362 G N 1.209 110.057 108.800 0.081 0.000 2.498 362 G HA2 -0.144 3.816 3.960 0.000 0.000 0.219 362 G HA3 -0.144 3.816 3.960 0.000 0.000 0.219 362 G C 0.951 175.898 174.900 0.078 0.000 1.119 362 G CA 0.841 45.990 45.100 0.081 0.000 0.766 362 G HN 0.530 nan 8.290 nan 0.000 0.552 363 E N 0.322 120.568 120.200 0.077 0.000 2.118 363 E HA -0.107 4.243 4.350 0.000 0.000 0.195 363 E C 2.720 179.370 176.600 0.083 0.000 0.992 363 E CA 1.872 58.322 56.400 0.083 0.000 0.804 363 E CB -0.258 29.489 29.700 0.078 0.000 0.741 363 E HN 0.583 nan 8.360 nan 0.000 0.458 364 T N -2.074 112.526 114.554 0.076 0.000 3.046 364 T HA 0.344 4.694 4.350 0.000 0.000 0.242 364 T C 2.088 176.828 174.700 0.067 0.000 1.018 364 T CA 0.273 62.414 62.100 0.069 0.000 1.131 364 T CB -0.299 68.608 68.868 0.065 0.000 0.904 364 T HN 0.150 nan 8.240 nan 0.000 0.459 365 A N 3.424 126.290 122.820 0.076 0.000 1.849 365 A HA -0.140 4.180 4.320 0.000 0.000 0.217 365 A C 2.197 179.827 177.584 0.076 0.000 1.202 365 A CA 2.011 54.099 52.037 0.086 0.000 0.629 365 A CB -0.535 18.529 19.000 0.107 0.000 0.834 365 A HN 0.680 nan 8.150 nan 0.000 0.447 366 K N -0.658 119.784 120.400 0.070 0.000 2.360 366 K HA 0.294 4.614 4.320 0.000 0.000 0.196 366 K C 1.072 177.693 176.600 0.035 0.000 1.049 366 K CA 0.268 56.587 56.287 0.052 0.000 1.049 366 K CB 0.083 32.615 32.500 0.053 0.000 0.881 366 K HN 0.369 nan 8.250 nan 0.000 0.542 367 G N 1.426 110.252 108.800 0.043 0.000 2.684 367 G HA2 -0.045 3.915 3.960 0.000 0.000 0.255 367 G HA3 -0.045 3.915 3.960 0.000 0.000 0.255 367 G C -0.218 174.662 174.900 -0.033 0.000 1.219 367 G CA -0.308 44.814 45.100 0.038 0.000 0.901 367 G HN -0.012 nan 8.290 nan 0.000 0.548 368 D N -1.200 119.140 120.400 -0.100 0.000 2.305 368 D HA 0.027 4.667 4.640 0.000 0.000 0.206 368 D C 0.021 175.908 176.300 -0.688 0.000 0.974 368 D CA 1.035 54.787 54.000 -0.413 0.000 0.871 368 D CB 0.193 40.663 40.800 -0.549 0.000 0.947 368 D HN 0.417 nan 8.370 nan 0.000 0.516 369 Y N 0.228 120.546 120.300 0.031 0.000 2.747 369 Y HA 0.271 4.821 4.550 0.000 0.000 0.362 369 Y C -1.689 174.232 175.900 0.034 0.000 1.026 369 Y CA -1.923 56.196 58.100 0.031 0.000 1.135 369 Y CB 1.322 39.800 38.460 0.030 0.000 1.175 369 Y HN -0.097 nan 8.280 nan 0.000 0.643 370 P HA -0.117 nan 4.420 nan 0.000 0.215 370 P C 1.524 178.877 177.300 0.088 0.000 1.157 370 P CA 1.245 64.394 63.100 0.081 0.000 0.856 370 P CB 0.733 32.459 31.700 0.044 0.000 0.786 371 L N -0.595 120.679 121.223 0.086 0.000 2.072 371 L HA -0.127 4.213 4.340 0.000 0.000 0.205 371 L C 2.465 179.393 176.870 0.095 0.000 1.079 371 L CA 1.517 56.404 54.840 0.078 0.000 0.752 371 L CB -0.955 41.143 42.059 0.064 0.000 0.906 371 L HN -0.086 nan 8.230 nan 0.000 0.436 372 E N 0.579 120.860 120.200 0.135 0.000 2.118 372 E HA -0.213 4.137 4.350 0.000 0.000 0.195 372 E C 2.172 178.831 176.600 0.099 0.000 0.992 372 E CA 1.438 57.910 56.400 0.122 0.000 0.804 372 E CB -0.360 29.424 29.700 0.140 0.000 0.741 372 E HN 0.452 nan 8.360 nan 0.000 0.458 373 A N 0.323 123.210 122.820 0.111 0.000 1.968 373 A HA -0.075 4.245 4.320 0.000 0.000 0.217 373 A C 2.380 180.014 177.584 0.085 0.000 1.169 373 A CA 0.966 53.058 52.037 0.091 0.000 0.638 373 A CB -0.348 18.709 19.000 0.097 0.000 0.812 373 A HN 0.157 nan 8.150 nan 0.000 0.446 374 V N -0.192 119.770 119.914 0.081 0.000 2.453 374 V HA -0.216 3.904 4.120 0.000 0.000 0.247 374 V C 2.606 178.754 176.094 0.091 0.000 1.048 374 V CA 2.134 64.477 62.300 0.071 0.000 1.049 374 V CB -0.787 31.062 31.823 0.044 0.000 0.672 374 V HN 0.493 nan 8.190 nan 0.000 0.457 375 R N -0.736 119.819 120.500 0.091 0.000 2.073 375 R HA -0.127 4.213 4.340 0.000 0.000 0.234 375 R C 2.236 178.641 176.300 0.174 0.000 1.134 375 R CA 1.728 57.910 56.100 0.136 0.000 0.952 375 R CB -0.571 29.795 30.300 0.110 0.000 0.850 375 R HN 0.341 nan 8.270 nan 0.000 0.433 376 M N 0.894 120.561 119.600 0.112 0.000 2.073 376 M HA -0.259 4.221 4.480 0.000 0.000 0.258 376 M C 2.076 178.429 176.300 0.089 0.000 1.070 376 M CA 1.824 57.175 55.300 0.085 0.000 1.103 376 M CB -0.179 32.454 32.600 0.055 0.000 1.321 376 M HN 0.119 nan 8.290 nan 0.000 0.405 377 Q N -1.676 118.184 119.800 0.100 0.000 2.152 377 Q HA -0.284 4.056 4.340 0.000 0.000 0.206 377 Q C 2.072 178.145 176.000 0.120 0.000 0.985 377 Q CA 2.139 57.999 55.803 0.095 0.000 0.863 377 Q CB -0.473 28.320 28.738 0.093 0.000 0.904 377 Q HN 0.738 nan 8.270 nan 0.000 0.422 378 H N 0.245 119.343 119.070 0.047 0.000 2.326 378 H HA -0.070 4.486 4.556 0.000 0.000 0.301 378 H C 1.891 177.250 175.328 0.051 0.000 1.081 378 H CA 1.467 57.547 56.048 0.053 0.000 1.334 378 H CB -0.160 29.637 29.762 0.059 0.000 1.385 378 H HN 0.101 nan 8.280 nan 0.000 0.504 379 L N 0.080 121.253 121.223 -0.083 0.000 1.994 379 L HA -0.158 4.182 4.340 0.000 0.000 0.208 379 L C 2.564 179.379 176.870 -0.091 0.000 1.071 379 L CA 1.340 56.092 54.840 -0.147 0.000 0.745 379 L CB -0.416 41.626 42.059 -0.028 0.000 0.892 379 L HN 0.375 nan 8.230 nan 0.000 0.431 380 I N 0.188 120.742 120.570 -0.027 0.000 2.087 380 I HA -0.372 3.798 4.170 0.000 0.000 0.240 380 I C 2.751 178.863 176.117 -0.009 0.000 1.054 380 I CA 1.580 62.875 61.300 -0.008 0.000 1.311 380 I CB -0.900 37.108 38.000 0.013 0.000 1.024 380 I HN 0.263 nan 8.210 nan 0.000 0.402 381 A N 0.557 123.376 122.820 -0.003 0.000 2.139 381 A HA -0.202 4.118 4.320 0.000 0.000 0.221 381 A C 2.386 179.968 177.584 -0.003 0.000 1.159 381 A CA 1.450 53.495 52.037 0.012 0.000 0.662 381 A CB -0.556 18.467 19.000 0.039 0.000 0.796 381 A HN 0.401 nan 8.150 nan 0.000 0.463 382 R N -0.951 119.519 120.500 -0.050 0.000 2.080 382 R HA -0.008 4.332 4.340 0.000 0.000 0.222 382 R C 1.849 178.143 176.300 -0.008 0.000 1.107 382 R CA 0.883 56.953 56.100 -0.049 0.000 0.980 382 R CB -0.243 29.987 30.300 -0.117 0.000 0.879 382 R HN 0.514 nan 8.270 nan 0.000 0.439 383 E N 1.200 121.393 120.200 -0.011 0.000 2.017 383 E HA -0.121 4.229 4.350 0.000 0.000 0.193 383 E C 2.025 178.642 176.600 0.029 0.000 0.997 383 E CA 1.377 57.781 56.400 0.006 0.000 0.804 383 E CB -0.303 29.394 29.700 -0.004 0.000 0.757 383 E HN 0.228 nan 8.360 nan 0.000 0.448 384 A N 1.396 124.234 122.820 0.030 0.000 1.978 384 A HA -0.250 4.070 4.320 0.000 0.000 0.220 384 A C 2.059 179.688 177.584 0.076 0.000 1.170 384 A CA 1.816 53.881 52.037 0.047 0.000 0.636 384 A CB -0.563 18.459 19.000 0.038 0.000 0.810 384 A HN 0.257 nan 8.150 nan 0.000 0.448 385 E N -0.593 119.653 120.200 0.078 0.000 2.058 385 E HA -0.160 4.190 4.350 0.000 0.000 0.194 385 E C 2.101 178.829 176.600 0.213 0.000 0.997 385 E CA 1.237 57.709 56.400 0.120 0.000 0.801 385 E CB -0.227 29.531 29.700 0.096 0.000 0.746 385 E HN 0.632 nan 8.360 nan 0.000 0.450 386 A N 0.216 123.141 122.820 0.176 0.000 2.208 386 A HA 0.236 4.556 4.320 0.000 0.000 0.209 386 A C 1.847 179.566 177.584 0.225 0.000 1.161 386 A CA 0.792 52.956 52.037 0.212 0.000 0.782 386 A CB 0.158 19.226 19.000 0.112 0.000 0.816 386 A HN 0.222 nan 8.150 nan 0.000 0.477 387 A N -0.441 122.482 122.820 0.173 0.000 2.415 387 A HA 0.528 4.848 4.320 0.000 0.000 0.248 387 A C 0.770 178.517 177.584 0.272 0.000 1.299 387 A CA -0.293 51.843 52.037 0.165 0.000 0.899 387 A CB -0.484 18.554 19.000 0.064 0.000 0.997 387 A HN 0.517 nan 8.150 nan 0.000 0.506 388 M N -1.442 118.281 119.600 0.205 0.000 2.368 388 M HA 0.361 4.841 4.480 0.000 0.000 0.311 388 M C -0.274 176.054 176.300 0.047 0.000 1.168 388 M CA -0.473 54.865 55.300 0.064 0.000 1.044 388 M CB 0.530 33.002 32.600 -0.212 0.000 1.506 388 M HN 0.177 nan 8.290 nan 0.000 0.475 389 F N 2.373 122.172 119.950 -0.252 0.000 2.640 389 F HA 0.187 4.714 4.527 0.000 0.000 0.354 389 F C 1.423 177.075 175.800 -0.246 0.000 1.213 389 F CA -0.405 57.363 58.000 -0.386 0.000 1.314 389 F CB -1.110 37.652 39.000 -0.398 0.000 1.679 389 F HN 0.554 nan 8.300 nan 0.000 0.622 390 H N 1.072 120.215 119.070 0.121 0.000 2.255 390 H HA -0.270 4.286 4.556 0.000 0.000 0.290 390 H C 2.401 177.583 175.328 -0.242 0.000 1.087 390 H CA 2.333 58.355 56.048 -0.043 0.000 1.213 390 H CB -0.005 29.695 29.762 -0.103 0.000 1.349 390 H HN 0.417 nan 8.280 nan 0.000 0.487 391 R N 1.262 121.619 120.500 -0.237 0.000 2.105 391 R HA -0.152 4.188 4.340 0.000 0.000 0.239 391 R C 2.297 178.431 176.300 -0.276 0.000 1.135 391 R CA 1.703 57.605 56.100 -0.329 0.000 0.967 391 R CB 0.002 30.123 30.300 -0.297 0.000 0.861 391 R HN 0.073 nan 8.270 nan 0.000 0.442 392 K N 0.321 120.384 120.400 -0.562 0.000 2.057 392 K HA -0.119 4.201 4.320 0.000 0.000 0.206 392 K C 1.921 178.388 176.600 -0.223 0.000 1.050 392 K CA 0.954 56.916 56.287 -0.543 0.000 0.935 392 K CB -0.368 31.539 32.500 -0.988 0.000 0.715 392 K HN 0.067 nan 8.250 nan 0.000 0.439 393 L N 0.246 121.385 121.223 -0.140 0.000 1.956 393 L HA -0.162 4.178 4.340 0.000 0.000 0.216 393 L C 1.935 178.867 176.870 0.104 0.000 1.073 393 L CA 1.804 56.636 54.840 -0.014 0.000 0.762 393 L CB -1.006 41.068 42.059 0.026 0.000 0.889 393 L HN 0.248 nan 8.230 nan 0.000 0.433 394 F N 0.720 120.691 119.950 0.035 0.000 2.063 394 F HA -0.332 4.195 4.527 0.000 0.000 0.298 394 F C 2.381 178.223 175.800 0.070 0.000 1.105 394 F CA 2.374 60.455 58.000 0.135 0.000 1.215 394 F CB -0.447 38.654 39.000 0.168 0.000 0.972 394 F HN 0.311 nan 8.300 nan 0.000 0.483 395 E N -0.058 120.252 120.200 0.184 0.000 2.049 395 E HA -0.274 4.076 4.350 0.000 0.000 0.198 395 E C 2.135 178.696 176.600 -0.065 0.000 1.007 395 E CA 1.955 58.370 56.400 0.026 0.000 0.809 395 E CB -0.387 29.329 29.700 0.028 0.000 0.749 395 E HN 0.605 nan 8.360 nan 0.000 0.450 396 E N 0.510 120.679 120.200 -0.052 0.000 2.058 396 E HA -0.229 4.121 4.350 0.000 0.000 0.194 396 E C 2.166 178.740 176.600 -0.044 0.000 0.997 396 E CA 0.802 57.170 56.400 -0.053 0.000 0.801 396 E CB -0.177 29.485 29.700 -0.063 0.000 0.746 396 E HN 0.090 nan 8.360 nan 0.000 0.450 397 L N 1.302 122.503 121.223 -0.036 0.000 1.956 397 L HA -0.241 4.099 4.340 0.000 0.000 0.216 397 L C 2.562 179.438 176.870 0.010 0.000 1.073 397 L CA 2.136 56.972 54.840 -0.008 0.000 0.762 397 L CB -1.457 40.628 42.059 0.044 0.000 0.889 397 L HN 0.129 nan 8.230 nan 0.000 0.433 398 A N -1.079 121.680 122.820 -0.101 0.000 1.915 398 A HA -0.307 4.013 4.320 0.000 0.000 0.220 398 A C 2.511 180.046 177.584 -0.081 0.000 1.198 398 A CA 2.251 54.177 52.037 -0.185 0.000 0.647 398 A CB -0.621 18.127 19.000 -0.421 0.000 0.825 398 A HN 0.418 nan 8.150 nan 0.000 0.456 399 R N -1.130 119.335 120.500 -0.057 0.000 2.148 399 R HA -0.013 4.327 4.340 0.000 0.000 0.223 399 R C 2.394 178.707 176.300 0.021 0.000 1.088 399 R CA 1.089 57.176 56.100 -0.021 0.000 0.985 399 R CB -0.261 30.026 30.300 -0.022 0.000 0.880 399 R HN 0.549 nan 8.270 nan 0.000 0.451 400 S N 0.117 115.832 115.700 0.025 0.000 2.428 400 S HA -0.032 4.438 4.470 0.000 0.000 0.230 400 S C 1.030 175.720 174.600 0.149 0.000 1.014 400 S CA 1.032 59.269 58.200 0.062 0.000 0.957 400 S CB 0.185 63.403 63.200 0.031 0.000 0.784 400 S HN 0.294 nan 8.310 nan 0.000 0.499 401 S N 0.945 116.699 115.700 0.091 0.000 2.573 401 S HA 0.136 4.606 4.470 0.000 0.000 0.244 401 S C 1.394 175.915 174.600 -0.132 0.000 0.984 401 S CA 0.232 58.432 58.200 0.001 0.000 1.001 401 S CB 0.528 63.765 63.200 0.062 0.000 0.788 401 S HN 0.562 nan 8.310 nan 0.000 0.456 402 S N 2.460 118.175 115.700 0.025 0.000 2.447 402 S HA -0.208 4.262 4.470 0.000 0.000 0.233 402 S C 1.641 176.225 174.600 -0.027 0.000 1.006 402 S CA 1.122 59.318 58.200 -0.007 0.000 0.957 402 S CB -0.762 62.447 63.200 0.014 0.000 0.773 402 S HN 0.879 nan 8.310 nan 0.000 0.507 403 H N -0.396 118.666 119.070 -0.012 0.000 2.548 403 H HA 0.450 5.006 4.556 0.000 0.000 0.268 403 H C 0.859 176.181 175.328 -0.010 0.000 0.975 403 H CA 0.498 56.539 56.048 -0.012 0.000 1.195 403 H CB -0.292 29.464 29.762 -0.011 0.000 1.397 403 H HN 0.303 nan 8.280 nan 0.000 0.572 404 S N 0.854 116.180 115.700 -0.623 0.000 2.480 404 S HA 0.235 4.705 4.470 0.000 0.000 0.286 404 S C 0.571 175.051 174.600 -0.200 0.000 1.180 404 S CA -0.337 57.629 58.200 -0.390 0.000 1.075 404 S CB 0.662 63.594 63.200 -0.447 0.000 0.996 404 S HN 0.592 nan 8.310 nan 0.000 0.487 405 T N 0.828 115.307 114.554 -0.124 0.000 3.331 405 T HA 0.247 4.597 4.350 0.000 0.000 0.282 405 T C -0.238 174.408 174.700 -0.091 0.000 1.010 405 T CA -0.630 61.416 62.100 -0.090 0.000 0.928 405 T CB -0.278 68.555 68.868 -0.058 0.000 1.154 405 T HN 0.518 nan 8.240 nan 0.000 0.516 406 D N 1.128 121.463 120.400 -0.108 0.000 2.425 406 D HA 0.188 4.828 4.640 0.000 0.000 0.247 406 D C 1.120 177.310 176.300 -0.182 0.000 1.147 406 D CA -0.522 53.401 54.000 -0.129 0.000 0.879 406 D CB 0.633 41.361 40.800 -0.119 0.000 1.179 406 D HN -0.098 nan 8.370 nan 0.000 0.456 407 L N 3.688 124.762 121.223 -0.248 0.000 2.083 407 L HA -0.085 4.255 4.340 0.000 0.000 0.209 407 L C 2.088 178.608 176.870 -0.583 0.000 1.083 407 L CA 1.388 56.021 54.840 -0.345 0.000 0.752 407 L CB -0.830 41.042 42.059 -0.311 0.000 0.899 407 L HN 0.669 nan 8.230 nan 0.000 0.433 408 M N -1.071 118.070 119.600 -0.766 0.000 2.419 408 M HA -0.100 4.380 4.480 0.000 0.000 0.264 408 M C 2.047 178.205 176.300 -0.237 0.000 1.082 408 M CA 1.322 56.239 55.300 -0.638 0.000 1.119 408 M CB -0.185 32.096 32.600 -0.531 0.000 1.398 408 M HN 0.229 nan 8.290 nan 0.000 0.453 409 E N -0.249 119.846 120.200 -0.175 0.000 2.028 409 E HA -0.142 4.208 4.350 0.000 0.000 0.191 409 E C 1.961 178.506 176.600 -0.091 0.000 0.988 409 E CA 1.218 57.596 56.400 -0.036 0.000 0.799 409 E CB -0.170 29.518 29.700 -0.021 0.000 0.755 409 E HN 0.639 nan 8.360 nan 0.000 0.447 410 A N 0.724 123.466 122.820 -0.131 0.000 1.883 410 A HA -0.250 4.070 4.320 0.000 0.000 0.217 410 A C 2.104 179.635 177.584 -0.089 0.000 1.186 410 A CA 1.855 53.820 52.037 -0.120 0.000 0.624 410 A CB -0.521 18.420 19.000 -0.100 0.000 0.822 410 A HN 0.277 nan 8.150 nan 0.000 0.444 411 M N -0.193 119.359 119.600 -0.081 0.000 2.159 411 M HA -0.024 4.456 4.480 0.000 0.000 0.263 411 M C 2.164 178.462 176.300 -0.003 0.000 1.063 411 M CA 1.563 56.852 55.300 -0.019 0.000 1.110 411 M CB -0.477 32.131 32.600 0.014 0.000 1.374 411 M HN 0.417 nan 8.290 nan 0.000 0.411 412 A N -0.292 122.523 122.820 -0.008 0.000 1.873 412 A HA -0.183 4.137 4.320 0.000 0.000 0.215 412 A C 2.163 179.755 177.584 0.013 0.000 1.186 412 A CA 1.983 54.054 52.037 0.055 0.000 0.616 412 A CB -0.643 18.460 19.000 0.173 0.000 0.823 412 A HN 0.557 nan 8.150 nan 0.000 0.442 413 M N -0.559 118.951 119.600 -0.149 0.000 2.065 413 M HA -0.131 4.349 4.480 0.000 0.000 0.259 413 M C 2.384 178.702 176.300 0.030 0.000 1.071 413 M CA 1.660 56.847 55.300 -0.188 0.000 1.109 413 M CB -0.844 31.519 32.600 -0.395 0.000 1.313 413 M HN 0.512 nan 8.290 nan 0.000 0.408 414 G N 0.100 108.894 108.800 -0.011 0.000 2.476 414 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 414 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 414 G C 1.542 176.429 174.900 -0.022 0.000 1.164 414 G CA 1.521 46.620 45.100 -0.002 0.000 0.768 414 G HN 0.546 nan 8.290 nan 0.000 0.560 415 S N 0.671 116.359 115.700 -0.019 0.000 2.353 415 S HA -0.183 4.287 4.470 0.000 0.000 0.222 415 S C 2.417 176.954 174.600 -0.106 0.000 1.035 415 S CA 1.667 59.843 58.200 -0.039 0.000 1.025 415 S CB -0.839 62.355 63.200 -0.009 0.000 0.902 415 S HN 0.231 nan 8.310 nan 0.000 0.440 416 V N 2.363 122.216 119.914 -0.103 0.000 2.392 416 V HA -0.215 3.905 4.120 0.000 0.000 0.249 416 V C 2.646 178.402 176.094 -0.563 0.000 1.059 416 V CA 2.218 64.346 62.300 -0.287 0.000 1.051 416 V CB -1.053 30.706 31.823 -0.108 0.000 0.658 416 V HN 0.460 nan 8.190 nan 0.000 0.455 417 E N 1.086 121.083 120.200 -0.337 0.000 2.051 417 E HA -0.174 4.176 4.350 0.000 0.000 0.192 417 E C 2.160 178.669 176.600 -0.151 0.000 0.991 417 E CA 1.598 57.836 56.400 -0.271 0.000 0.799 417 E CB -0.517 29.106 29.700 -0.128 0.000 0.748 417 E HN 0.521 nan 8.360 nan 0.000 0.449 418 A N 0.252 122.999 122.820 -0.121 0.000 1.972 418 A HA -0.197 4.123 4.320 0.000 0.000 0.219 418 A C 2.363 179.883 177.584 -0.105 0.000 1.169 418 A CA 1.926 53.914 52.037 -0.081 0.000 0.635 418 A CB -1.092 17.872 19.000 -0.060 0.000 0.810 418 A HN 0.386 nan 8.150 nan 0.000 0.446 419 S N -1.277 114.304 115.700 -0.199 0.000 2.374 419 S HA -0.235 4.235 4.470 0.000 0.000 0.227 419 S C 1.926 176.438 174.600 -0.146 0.000 1.037 419 S CA 1.932 59.999 58.200 -0.222 0.000 1.024 419 S CB -0.607 62.378 63.200 -0.359 0.000 0.861 419 S HN 0.572 nan 8.310 nan 0.000 0.456 420 Y N 1.628 121.852 120.300 -0.127 0.000 2.184 420 Y HA 0.160 4.710 4.550 0.000 0.000 0.290 420 Y C 2.588 178.432 175.900 -0.094 0.000 1.129 420 Y CA 1.158 59.178 58.100 -0.133 0.000 1.144 420 Y CB -1.119 37.220 38.460 -0.201 0.000 0.995 420 Y HN 0.222 nan 8.280 nan 0.000 0.513 421 K N 0.973 121.415 120.400 0.071 0.000 2.001 421 K HA -0.185 4.135 4.320 0.000 0.000 0.214 421 K C 1.913 178.521 176.600 0.015 0.000 1.050 421 K CA 2.208 58.511 56.287 0.027 0.000 0.934 421 K CB -1.008 31.495 32.500 0.004 0.000 0.718 421 K HN 0.488 nan 8.250 nan 0.000 0.443 422 C N -0.660 118.639 119.300 -0.001 0.000 2.855 422 C HA 0.485 4.945 4.460 0.000 0.000 0.279 422 C C -0.062 174.925 174.990 -0.005 0.000 1.270 422 C CA -0.934 58.081 59.018 -0.006 0.000 1.702 422 C CB -1.037 26.692 27.740 -0.018 0.000 1.949 422 C HN 0.380 nan 8.230 nan 0.000 0.618 423 L N 1.167 122.392 121.223 0.003 0.000 3.746 423 L HA -0.141 4.199 4.340 0.000 0.000 0.542 423 L C 0.993 177.855 176.870 -0.013 0.000 1.268 423 L CA 0.548 55.390 54.840 0.004 0.000 0.818 423 L CB -2.602 39.464 42.059 0.013 0.000 1.472 423 L HN 0.741 nan 8.230 nan 0.000 0.843 424 A N 0.382 123.181 122.820 -0.036 0.000 2.531 424 A HA 0.516 4.836 4.320 0.000 0.000 0.236 424 A C 1.482 179.051 177.584 -0.025 0.000 1.062 424 A CA 0.554 52.562 52.037 -0.049 0.000 0.760 424 A CB 0.407 19.363 19.000 -0.074 0.000 0.995 424 A HN 1.180 nan 8.150 nan 0.000 0.501 425 A N 1.556 124.368 122.820 -0.013 0.000 2.218 425 A HA 0.548 4.868 4.320 0.000 0.000 0.209 425 A C 0.913 178.561 177.584 0.106 0.000 1.168 425 A CA 1.251 53.324 52.037 0.060 0.000 0.804 425 A CB -0.529 18.537 19.000 0.111 0.000 0.834 425 A HN 2.576 nan 8.150 nan 0.000 0.482 426 A N -1.698 121.135 122.820 0.023 0.000 2.574 426 A HA 0.512 4.832 4.320 0.000 0.000 0.298 426 A C -1.867 175.708 177.584 -0.015 0.000 0.987 426 A CA -0.655 51.412 52.037 0.050 0.000 0.678 426 A CB -0.069 19.079 19.000 0.248 0.000 1.296 426 A HN 0.333 nan 8.150 nan 0.000 0.420 427 L N 1.798 123.028 121.223 0.012 0.000 2.298 427 L HA 0.586 4.926 4.340 0.000 0.000 0.284 427 L C -0.381 176.508 176.870 0.031 0.000 1.013 427 L CA 0.035 54.875 54.840 0.001 0.000 0.824 427 L CB 1.464 43.521 42.059 -0.004 0.000 1.221 427 L HN 0.604 nan 8.230 nan 0.000 0.418 428 I N 4.471 125.049 120.570 0.014 0.000 2.297 428 I HA 0.338 4.508 4.170 0.000 0.000 0.291 428 I C -0.520 175.611 176.117 0.022 0.000 1.033 428 I CA -0.549 60.767 61.300 0.027 0.000 1.253 428 I CB 1.031 39.035 38.000 0.007 0.000 1.396 428 I HN 0.226 nan 8.210 nan 0.000 0.476 429 V N 7.480 127.413 119.914 0.031 0.000 2.581 429 V HA 0.416 4.536 4.120 0.000 0.000 0.303 429 V C -0.307 175.795 176.094 0.014 0.000 1.041 429 V CA -0.731 61.583 62.300 0.024 0.000 0.907 429 V CB 2.224 34.058 31.823 0.019 0.000 0.994 429 V HN 0.385 nan 8.190 nan 0.000 0.442 430 L N 3.526 124.758 121.223 0.014 0.000 2.417 430 L HA 0.641 4.981 4.340 0.000 0.000 0.259 430 L C -0.044 176.840 176.870 0.023 0.000 1.023 430 L CA 0.603 55.446 54.840 0.004 0.000 0.901 430 L CB 1.338 43.386 42.059 -0.019 0.000 1.227 430 L HN 0.887 nan 8.230 nan 0.000 0.454 431 T N -0.083 114.473 114.554 0.003 0.000 2.906 431 T HA 0.457 4.807 4.350 0.000 0.000 0.295 431 T C 0.481 175.180 174.700 -0.002 0.000 1.075 431 T CA -0.348 61.757 62.100 0.008 0.000 1.005 431 T CB 1.484 70.331 68.868 -0.034 0.000 1.136 431 T HN 0.437 nan 8.240 nan 0.000 0.498 432 E N 0.724 120.933 120.200 0.015 0.000 2.290 432 E HA 0.073 4.423 4.350 0.000 0.000 0.197 432 E C 2.202 178.806 176.600 0.006 0.000 0.948 432 E CA 0.751 57.163 56.400 0.019 0.000 0.895 432 E CB -0.015 29.712 29.700 0.044 0.000 0.865 432 E HN 0.663 nan 8.360 nan 0.000 0.486 433 S N -0.384 115.313 115.700 -0.006 0.000 2.357 433 S HA 0.079 4.549 4.470 0.000 0.000 0.221 433 S C 1.839 176.389 174.600 -0.085 0.000 1.031 433 S CA 1.170 59.360 58.200 -0.016 0.000 0.982 433 S CB -0.078 63.118 63.200 -0.006 0.000 0.853 433 S HN 0.334 nan 8.310 nan 0.000 0.458 434 G N 1.295 109.976 108.800 -0.198 0.000 2.284 434 G HA2 -0.282 3.678 3.960 0.000 0.000 0.216 434 G HA3 -0.282 3.678 3.960 0.000 0.000 0.216 434 G C 0.929 175.300 174.900 -0.882 0.000 1.009 434 G CA 0.311 45.133 45.100 -0.464 0.000 0.625 434 G HN 0.409 nan 8.290 nan 0.000 0.501 435 R N 1.462 121.639 120.500 -0.539 0.000 2.179 435 R HA -0.157 4.183 4.340 0.000 0.000 0.238 435 R C 2.919 179.082 176.300 -0.228 0.000 1.119 435 R CA 2.867 58.786 56.100 -0.302 0.000 0.915 435 R CB -0.785 29.485 30.300 -0.049 0.000 0.870 435 R HN 0.505 nan 8.270 nan 0.000 0.432 436 S N -0.282 115.355 115.700 -0.105 0.000 2.441 436 S HA -0.224 4.246 4.470 0.000 0.000 0.242 436 S C 1.685 176.252 174.600 -0.055 0.000 1.018 436 S CA 1.319 59.510 58.200 -0.015 0.000 0.988 436 S CB -0.181 63.064 63.200 0.076 0.000 0.778 436 S HN 0.567 nan 8.310 nan 0.000 0.498 437 A N 0.039 122.751 122.820 -0.179 0.000 2.390 437 A HA 0.230 4.550 4.320 0.000 0.000 0.232 437 A C 1.491 178.998 177.584 -0.129 0.000 1.233 437 A CA -0.175 51.783 52.037 -0.131 0.000 0.907 437 A CB -0.179 18.750 19.000 -0.118 0.000 0.967 437 A HN 0.394 nan 8.150 nan 0.000 0.512 438 H N -0.426 118.530 119.070 -0.189 0.000 2.343 438 H HA -0.055 4.501 4.556 0.000 0.000 0.303 438 H C 2.093 177.377 175.328 -0.073 0.000 1.068 438 H CA 1.724 57.588 56.048 -0.307 0.000 1.359 438 H CB -0.297 29.199 29.762 -0.444 0.000 1.402 438 H HN 0.378 nan 8.280 nan 0.000 0.515 439 Q N 0.647 120.508 119.800 0.102 0.000 2.096 439 Q HA -0.110 4.230 4.340 0.000 0.000 0.208 439 Q C 2.572 178.667 176.000 0.158 0.000 0.993 439 Q CA 1.183 57.045 55.803 0.099 0.000 0.862 439 Q CB -0.705 28.078 28.738 0.075 0.000 0.915 439 Q HN 0.225 nan 8.270 nan 0.000 0.416 440 V N -0.062 119.932 119.914 0.134 0.000 2.515 440 V HA -0.211 3.909 4.120 0.000 0.000 0.250 440 V C 2.009 178.207 176.094 0.173 0.000 1.058 440 V CA 1.551 63.950 62.300 0.165 0.000 1.064 440 V CB -0.827 31.055 31.823 0.099 0.000 0.675 440 V HN 0.421 nan 8.190 nan 0.000 0.461 441 A N 0.143 123.049 122.820 0.144 0.000 1.968 441 A HA -0.178 4.142 4.320 0.000 0.000 0.217 441 A C 2.367 180.033 177.584 0.137 0.000 1.169 441 A CA 1.486 53.619 52.037 0.159 0.000 0.638 441 A CB -0.510 18.616 19.000 0.210 0.000 0.812 441 A HN 0.517 nan 8.150 nan 0.000 0.446 442 R N -1.648 118.897 120.500 0.075 0.000 2.120 442 R HA -0.169 4.171 4.340 0.000 0.000 0.234 442 R C 1.051 177.221 176.300 -0.218 0.000 1.123 442 R CA 1.755 57.798 56.100 -0.095 0.000 0.975 442 R CB -0.359 29.797 30.300 -0.240 0.000 0.866 442 R HN 0.539 nan 8.270 nan 0.000 0.446 443 Y N 0.552 120.926 120.300 0.124 0.000 2.490 443 Y HA 0.231 4.781 4.550 0.000 0.000 0.281 443 Y C 0.098 176.168 175.900 0.283 0.000 1.174 443 Y CA -0.063 58.142 58.100 0.175 0.000 1.295 443 Y CB 0.459 39.034 38.460 0.191 0.000 1.062 443 Y HN -0.063 nan 8.280 nan 0.000 0.522 444 R N -0.677 120.004 120.500 0.301 0.000 3.076 444 R HA -0.131 4.209 4.340 0.000 0.000 0.261 444 R C -3.018 173.505 176.300 0.371 0.000 0.930 444 R CA -0.036 56.243 56.100 0.300 0.000 0.649 444 R CB -2.332 28.135 30.300 0.278 0.000 1.350 444 R HN 0.255 nan 8.270 nan 0.000 0.453 445 P HA 0.057 nan 4.420 nan 0.000 0.271 445 P C 0.799 178.197 177.300 0.164 0.000 1.244 445 P CA -0.292 62.832 63.100 0.041 0.000 0.793 445 P CB 0.642 32.321 31.700 -0.035 0.000 0.984 446 R N 1.220 121.739 120.500 0.032 0.000 2.062 446 R HA 0.128 4.468 4.340 0.000 0.000 0.226 446 R C 0.788 177.080 176.300 -0.013 0.000 1.125 446 R CA 1.046 57.107 56.100 -0.065 0.000 0.966 446 R CB -0.785 29.421 30.300 -0.156 0.000 0.861 446 R HN 0.549 nan 8.270 nan 0.000 0.433 447 A N 1.578 124.376 122.820 -0.037 0.000 2.286 447 A HA 0.521 4.841 4.320 0.000 0.000 0.286 447 A C -2.355 175.218 177.584 -0.018 0.000 1.097 447 A CA -1.884 50.133 52.037 -0.034 0.000 0.821 447 A CB 0.141 19.118 19.000 -0.038 0.000 1.076 447 A HN 0.289 nan 8.150 nan 0.000 0.490 448 P HA 0.248 nan 4.420 nan 0.000 0.271 448 P C -0.802 176.516 177.300 0.030 0.000 1.218 448 P CA 0.265 63.343 63.100 -0.037 0.000 0.780 448 P CB 0.352 31.937 31.700 -0.192 0.000 0.901 449 I N 3.218 123.833 120.570 0.076 0.000 2.306 449 I HA 0.315 4.485 4.170 0.000 0.000 0.288 449 I C 0.549 176.746 176.117 0.134 0.000 1.036 449 I CA -0.542 60.813 61.300 0.091 0.000 1.221 449 I CB 0.369 38.421 38.000 0.088 0.000 1.385 449 I HN 0.126 nan 8.210 nan 0.000 0.472 450 I N 6.133 126.780 120.570 0.128 0.000 2.269 450 I HA 0.257 4.427 4.170 0.000 0.000 0.293 450 I C 0.676 176.863 176.117 0.116 0.000 1.106 450 I CA -0.138 61.258 61.300 0.160 0.000 1.248 450 I CB 0.869 38.967 38.000 0.162 0.000 1.444 450 I HN 0.625 nan 8.210 nan 0.000 0.497 451 A N 7.268 130.156 122.820 0.113 0.000 2.279 451 A HA 0.518 4.838 4.320 0.000 0.000 0.306 451 A C -0.186 177.426 177.584 0.047 0.000 1.300 451 A CA -0.385 51.684 52.037 0.053 0.000 0.925 451 A CB 0.427 19.435 19.000 0.014 0.000 1.152 451 A HN 0.455 nan 8.150 nan 0.000 0.544 452 V N 3.183 123.114 119.914 0.029 0.000 2.406 452 V HA 0.540 4.660 4.120 0.000 0.000 0.272 452 V C 0.625 176.714 176.094 -0.008 0.000 1.043 452 V CA 0.135 62.444 62.300 0.014 0.000 0.915 452 V CB 0.927 32.752 31.823 0.003 0.000 0.988 452 V HN 0.940 nan 8.190 nan 0.000 0.466 453 T N 4.344 118.888 114.554 -0.016 0.000 2.883 453 T HA 0.454 4.804 4.350 0.000 0.000 0.301 453 T C 0.579 175.250 174.700 -0.048 0.000 1.158 453 T CA -0.597 61.488 62.100 -0.025 0.000 1.007 453 T CB 1.859 70.714 68.868 -0.022 0.000 1.186 453 T HN 0.648 nan 8.240 nan 0.000 0.499 454 R N 1.056 121.537 120.500 -0.032 0.000 2.365 454 R HA 0.242 4.582 4.340 0.000 0.000 0.223 454 R C 0.252 176.551 176.300 -0.003 0.000 0.899 454 R CA -0.172 55.908 56.100 -0.034 0.000 1.059 454 R CB 0.309 30.612 30.300 0.005 0.000 1.086 454 R HN 0.300 nan 8.270 nan 0.000 0.522 455 N N 1.248 119.960 118.700 0.021 0.000 2.558 455 N HA 0.015 4.755 4.740 0.000 0.000 0.233 455 N C 0.536 176.109 175.510 0.106 0.000 1.038 455 N CA 0.120 53.223 53.050 0.087 0.000 0.934 455 N CB 0.389 38.916 38.487 0.068 0.000 1.175 455 N HN 0.280 nan 8.380 nan 0.000 0.512 456 H N 1.287 120.396 119.070 0.065 0.000 2.422 456 H HA -0.164 4.392 4.556 0.000 0.000 0.298 456 H C 1.247 176.618 175.328 0.072 0.000 1.098 456 H CA 1.071 57.167 56.048 0.080 0.000 1.315 456 H CB 0.572 30.395 29.762 0.101 0.000 1.382 456 H HN 0.637 nan 8.280 nan 0.000 0.523 457 Q N 0.680 120.595 119.800 0.192 0.000 1.993 457 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 457 Q C 2.201 178.273 176.000 0.121 0.000 0.984 457 Q CA 1.918 57.801 55.803 0.133 0.000 0.837 457 Q CB 0.076 28.873 28.738 0.098 0.000 0.902 457 Q HN 0.280 nan 8.270 nan 0.000 0.423 458 T N 0.509 115.124 114.554 0.102 0.000 2.714 458 T HA -0.241 4.109 4.350 0.000 0.000 0.268 458 T C 1.470 176.212 174.700 0.071 0.000 1.036 458 T CA 1.392 63.540 62.100 0.081 0.000 1.148 458 T CB -0.300 68.596 68.868 0.048 0.000 0.856 458 T HN 0.451 nan 8.240 nan 0.000 0.462 459 A N 0.193 123.051 122.820 0.064 0.000 2.208 459 A HA 0.158 4.478 4.320 0.000 0.000 0.209 459 A C 2.252 179.873 177.584 0.062 0.000 1.161 459 A CA 0.505 52.557 52.037 0.025 0.000 0.782 459 A CB -0.143 18.857 19.000 0.001 0.000 0.816 459 A HN 0.373 nan 8.150 nan 0.000 0.477 460 R N -1.125 119.455 120.500 0.135 0.000 2.123 460 R HA 0.046 4.386 4.340 0.000 0.000 0.209 460 R C 2.118 178.568 176.300 0.250 0.000 1.078 460 R CA 0.823 57.050 56.100 0.213 0.000 1.028 460 R CB -0.157 30.240 30.300 0.162 0.000 0.939 460 R HN 0.592 nan 8.270 nan 0.000 0.463 461 Q N 0.498 120.415 119.800 0.194 0.000 2.170 461 Q HA -0.082 4.258 4.340 0.000 0.000 0.203 461 Q C 2.104 178.280 176.000 0.294 0.000 0.976 461 Q CA 1.426 57.364 55.803 0.225 0.000 0.858 461 Q CB -0.149 28.715 28.738 0.209 0.000 0.907 461 Q HN 0.295 nan 8.270 nan 0.000 0.433 462 A N 1.088 124.048 122.820 0.234 0.000 1.940 462 A HA -0.320 4.000 4.320 0.000 0.000 0.221 462 A C 1.505 179.231 177.584 0.236 0.000 1.190 462 A CA 2.153 54.325 52.037 0.225 0.000 0.647 462 A CB -1.079 17.936 19.000 0.024 0.000 0.821 462 A HN 0.477 nan 8.150 nan 0.000 0.457 463 H N -1.340 117.819 119.070 0.148 0.000 2.437 463 H HA -0.172 4.384 4.556 0.000 0.000 0.296 463 H C 1.846 177.231 175.328 0.095 0.000 1.121 463 H CA 1.467 57.568 56.048 0.089 0.000 1.255 463 H CB -0.198 29.585 29.762 0.036 0.000 1.366 463 H HN 0.356 nan 8.280 nan 0.000 0.512 464 L N 0.017 121.367 121.223 0.212 0.000 2.021 464 L HA -0.211 4.129 4.340 0.000 0.000 0.215 464 L C 0.306 177.087 176.870 -0.148 0.000 1.074 464 L CA 1.437 56.271 54.840 -0.010 0.000 0.760 464 L CB -0.983 40.985 42.059 -0.153 0.000 0.889 464 L HN 0.240 nan 8.230 nan 0.000 0.433 465 Y N -0.511 119.808 120.300 0.031 0.000 2.550 465 Y HA 0.135 4.685 4.550 0.000 0.000 0.343 465 Y C 1.150 177.080 175.900 0.051 0.000 1.245 465 Y CA -0.030 58.087 58.100 0.028 0.000 1.462 465 Y CB 0.065 38.562 38.460 0.062 0.000 1.340 465 Y HN 0.056 nan 8.280 nan 0.000 0.604 466 R N 0.865 121.465 120.500 0.167 0.000 2.229 466 R HA 0.508 4.848 4.340 0.000 0.000 0.328 466 R C 0.675 177.064 176.300 0.149 0.000 1.009 466 R CA 0.555 56.733 56.100 0.129 0.000 0.864 466 R CB 0.334 30.684 30.300 0.083 0.000 1.085 466 R HN 0.920 nan 8.270 nan 0.000 0.453 467 G N 4.149 113.030 108.800 0.136 0.000 2.213 467 G HA2 -0.216 3.744 3.960 0.000 0.000 0.226 467 G HA3 -0.216 3.744 3.960 0.000 0.000 0.226 467 G C 0.099 175.081 174.900 0.137 0.000 0.992 467 G CA -0.008 45.167 45.100 0.125 0.000 0.632 467 G HN 0.540 nan 8.290 nan 0.000 0.511 468 I N 1.189 121.847 120.570 0.146 0.000 2.379 468 I HA 0.447 4.617 4.170 0.000 0.000 0.290 468 I C -0.225 175.957 176.117 0.109 0.000 1.063 468 I CA -0.467 60.911 61.300 0.130 0.000 1.351 468 I CB 0.625 38.693 38.000 0.114 0.000 1.410 468 I HN 0.061 nan 8.210 nan 0.000 0.505 469 F N 10.289 130.241 119.950 0.003 0.000 2.311 469 F HA 0.481 5.008 4.527 0.000 0.000 0.371 469 F C -2.236 173.549 175.800 -0.026 0.000 1.083 469 F CA -3.068 54.933 58.000 0.001 0.000 1.113 469 F CB 0.835 39.889 39.000 0.089 0.000 1.349 469 F HN 0.251 nan 8.300 nan 0.000 0.470 470 P HA 0.127 nan 4.420 nan 0.000 0.271 470 P C -1.014 176.314 177.300 0.047 0.000 1.216 470 P CA 0.117 63.170 63.100 -0.078 0.000 0.771 470 P CB 1.804 33.335 31.700 -0.283 0.000 0.864 471 V N 4.408 124.383 119.914 0.102 0.000 2.638 471 V HA 0.216 4.337 4.120 0.000 0.000 0.306 471 V C -0.091 176.030 176.094 0.044 0.000 1.052 471 V CA -0.785 61.589 62.300 0.123 0.000 0.885 471 V CB 2.476 34.398 31.823 0.165 0.000 0.999 471 V HN 0.258 nan 8.190 nan 0.000 0.424 472 V N 3.642 123.585 119.914 0.047 0.000 2.333 472 V HA 0.323 4.443 4.120 0.000 0.000 0.274 472 V C 0.249 176.347 176.094 0.007 0.000 1.028 472 V CA -0.616 61.680 62.300 -0.008 0.000 0.851 472 V CB 1.138 32.929 31.823 -0.053 0.000 1.000 472 V HN 0.994 nan 8.190 nan 0.000 0.456 473 C N 6.116 125.399 119.300 -0.028 0.000 2.246 473 C HA 0.457 4.917 4.460 0.000 0.000 0.329 473 C C 1.262 176.237 174.990 -0.025 0.000 1.221 473 C CA -0.396 58.613 59.018 -0.015 0.000 1.697 473 C CB -0.319 27.409 27.740 -0.020 0.000 2.312 473 C HN 1.033 nan 8.230 nan 0.000 0.509 474 K N 2.234 122.635 120.400 0.000 0.000 2.334 474 K HA 0.093 4.413 4.320 0.000 0.000 0.195 474 K C 0.195 176.807 176.600 0.020 0.000 1.045 474 K CA 0.176 56.475 56.287 0.020 0.000 1.004 474 K CB 0.069 32.595 32.500 0.042 0.000 0.837 474 K HN 0.735 nan 8.250 nan 0.000 0.510 475 D N 3.043 123.448 120.400 0.008 0.000 2.548 475 D HA -0.037 4.603 4.640 0.000 0.000 0.231 475 D C -2.389 173.913 176.300 0.003 0.000 1.142 475 D CA -0.507 53.495 54.000 0.003 0.000 0.866 475 D CB 0.373 41.169 40.800 -0.007 0.000 1.190 475 D HN 0.031 nan 8.370 nan 0.000 0.469 476 P HA 0.019 nan 4.420 nan 0.000 0.272 476 P C -0.258 177.043 177.300 0.003 0.000 1.223 476 P CA -0.454 62.652 63.100 0.010 0.000 0.784 476 P CB 0.556 32.262 31.700 0.010 0.000 0.923 477 V N 2.502 122.423 119.914 0.011 0.000 3.484 477 V HA -0.047 4.073 4.120 0.000 0.000 0.304 477 V C 0.902 176.999 176.094 0.006 0.000 1.116 477 V CA 0.438 62.743 62.300 0.010 0.000 1.187 477 V CB -0.461 31.385 31.823 0.038 0.000 1.062 477 V HN 0.536 nan 8.190 nan 0.000 0.489 478 Q N 0.890 120.692 119.800 0.003 0.000 2.310 478 Q HA 0.283 4.623 4.340 0.000 0.000 0.270 478 Q C 0.810 176.827 176.000 0.028 0.000 1.025 478 Q CA -0.523 55.281 55.803 0.003 0.000 0.772 478 Q CB 1.860 30.585 28.738 -0.021 0.000 1.253 478 Q HN 0.837 nan 8.270 nan 0.000 0.450 479 E N 1.295 121.511 120.200 0.027 0.000 2.245 479 E HA -0.256 4.094 4.350 0.000 0.000 0.217 479 E C 0.156 176.785 176.600 0.049 0.000 1.069 479 E CA 1.701 58.120 56.400 0.033 0.000 0.877 479 E CB -0.199 29.512 29.700 0.018 0.000 0.757 479 E HN 0.499 nan 8.360 nan 0.000 0.464 480 A N 0.939 123.784 122.820 0.042 0.000 2.256 480 A HA 0.143 4.463 4.320 0.000 0.000 0.317 480 A C 0.365 178.003 177.584 0.090 0.000 1.318 480 A CA -0.656 51.415 52.037 0.057 0.000 0.894 480 A CB -0.085 18.927 19.000 0.021 0.000 1.165 480 A HN 0.500 nan 8.150 nan 0.000 0.525 481 W N 3.248 124.499 121.300 -0.081 0.000 2.287 481 W HA -0.444 4.216 4.660 0.000 0.000 0.341 481 W C 1.853 178.315 176.519 -0.094 0.000 1.361 481 W CA 3.005 60.293 57.345 -0.094 0.000 1.241 481 W CB -0.468 28.911 29.460 -0.134 0.000 1.120 481 W HN 0.782 nan 8.180 nan 0.000 0.468 482 A N 0.297 123.100 122.820 -0.027 0.000 2.067 482 A HA -0.308 4.012 4.320 0.000 0.000 0.224 482 A C 1.805 179.276 177.584 -0.188 0.000 1.172 482 A CA 2.425 54.364 52.037 -0.163 0.000 0.662 482 A CB -0.925 18.032 19.000 -0.071 0.000 0.814 482 A HN 0.674 nan 8.150 nan 0.000 0.468 483 E N -1.462 118.655 120.200 -0.139 0.000 2.166 483 E HA -0.091 4.259 4.350 0.000 0.000 0.192 483 E C 1.684 178.186 176.600 -0.163 0.000 0.967 483 E CA 0.536 56.864 56.400 -0.120 0.000 0.840 483 E CB -0.143 29.518 29.700 -0.066 0.000 0.795 483 E HN 0.646 nan 8.360 nan 0.000 0.470 484 D N 1.094 121.376 120.400 -0.197 0.000 2.088 484 D HA -0.155 4.485 4.640 0.000 0.000 0.191 484 D C 2.035 178.130 176.300 -0.343 0.000 0.992 484 D CA 1.097 54.960 54.000 -0.229 0.000 0.831 484 D CB -0.257 40.416 40.800 -0.212 0.000 0.973 484 D HN -0.103 nan 8.370 nan 0.000 0.447 485 V N 0.909 120.459 119.914 -0.607 0.000 2.222 485 V HA -0.323 3.797 4.120 0.000 0.000 0.252 485 V C 2.036 177.930 176.094 -0.334 0.000 1.060 485 V CA 2.581 64.501 62.300 -0.633 0.000 1.027 485 V CB -0.705 30.617 31.823 -0.835 0.000 0.644 485 V HN 0.257 nan 8.190 nan 0.000 0.448 486 D N -0.267 119.972 120.400 -0.268 0.000 2.265 486 D HA -0.153 4.487 4.640 0.000 0.000 0.208 486 D C 1.836 178.061 176.300 -0.125 0.000 0.977 486 D CA 1.379 55.282 54.000 -0.163 0.000 0.871 486 D CB -0.395 40.331 40.800 -0.123 0.000 0.925 486 D HN 0.539 nan 8.370 nan 0.000 0.485 487 L N 0.189 121.330 121.223 -0.136 0.000 2.056 487 L HA -0.058 4.282 4.340 0.000 0.000 0.207 487 L C 1.940 178.763 176.870 -0.079 0.000 1.078 487 L CA 1.512 56.296 54.840 -0.094 0.000 0.749 487 L CB -0.222 41.785 42.059 -0.086 0.000 0.901 487 L HN -0.200 nan 8.230 nan 0.000 0.433 488 R N -0.085 120.352 120.500 -0.104 0.000 2.075 488 R HA -0.057 4.283 4.340 0.000 0.000 0.232 488 R C 2.191 178.460 176.300 -0.052 0.000 1.126 488 R CA 1.553 57.606 56.100 -0.078 0.000 0.963 488 R CB -0.887 29.352 30.300 -0.103 0.000 0.858 488 R HN 0.378 nan 8.270 nan 0.000 0.435 489 V N 2.201 122.073 119.914 -0.069 0.000 2.380 489 V HA -0.302 3.818 4.120 0.000 0.000 0.251 489 V C 1.815 177.898 176.094 -0.018 0.000 1.063 489 V CA 1.840 64.113 62.300 -0.045 0.000 1.055 489 V CB -0.688 31.097 31.823 -0.064 0.000 0.657 489 V HN 0.345 nan 8.190 nan 0.000 0.455 490 N N 0.165 118.850 118.700 -0.025 0.000 2.084 490 N HA -0.146 4.594 4.740 0.000 0.000 0.190 490 N C 1.788 177.308 175.510 0.016 0.000 1.030 490 N CA 1.402 54.448 53.050 -0.006 0.000 0.849 490 N CB -0.584 37.893 38.487 -0.017 0.000 1.012 490 N HN 0.334 nan 8.380 nan 0.000 0.423 491 L N 1.627 122.855 121.223 0.007 0.000 1.976 491 L HA -0.233 4.107 4.340 0.000 0.000 0.223 491 L C 2.248 179.143 176.870 0.042 0.000 1.081 491 L CA 2.000 56.851 54.840 0.019 0.000 0.784 491 L CB -1.460 40.606 42.059 0.012 0.000 0.896 491 L HN 0.197 nan 8.230 nan 0.000 0.438 492 A N -1.152 121.701 122.820 0.056 0.000 1.859 492 A HA -0.370 3.950 4.320 0.000 0.000 0.218 492 A C 2.337 180.031 177.584 0.184 0.000 1.209 492 A CA 2.907 55.006 52.037 0.102 0.000 0.639 492 A CB -0.837 18.220 19.000 0.095 0.000 0.835 492 A HN 0.525 nan 8.150 nan 0.000 0.450 493 M N 0.074 119.791 119.600 0.195 0.000 2.088 493 M HA -0.267 4.213 4.480 0.000 0.000 0.256 493 M C 1.748 178.195 176.300 0.245 0.000 1.071 493 M CA 2.542 58.031 55.300 0.316 0.000 1.097 493 M CB -0.846 31.834 32.600 0.134 0.000 1.315 493 M HN 0.662 nan 8.290 nan 0.000 0.406 494 N N -1.136 117.621 118.700 0.095 0.000 2.069 494 N HA -0.168 4.572 4.740 0.000 0.000 0.191 494 N C 1.495 176.971 175.510 -0.057 0.000 1.031 494 N CA 1.712 54.774 53.050 0.019 0.000 0.852 494 N CB -0.376 38.117 38.487 0.010 0.000 1.018 494 N HN 0.183 nan 8.380 nan 0.000 0.423 495 V N 0.913 120.793 119.914 -0.057 0.000 2.295 495 V HA -0.163 3.957 4.120 0.000 0.000 0.246 495 V C 2.511 178.383 176.094 -0.371 0.000 1.049 495 V CA 2.094 64.301 62.300 -0.155 0.000 1.024 495 V CB -1.479 30.293 31.823 -0.085 0.000 0.648 495 V HN 0.438 nan 8.190 nan 0.000 0.447 496 G N 0.288 108.879 108.800 -0.349 0.000 2.628 496 G HA2 -0.325 3.635 3.960 0.000 0.000 0.217 496 G HA3 -0.325 3.635 3.960 0.000 0.000 0.217 496 G C 1.614 175.851 174.900 -1.105 0.000 1.240 496 G CA 1.356 45.934 45.100 -0.870 0.000 0.792 496 G HN 0.488 nan 8.290 nan 0.000 0.593 497 K N 0.704 120.671 120.400 -0.722 0.000 2.074 497 K HA -0.087 4.233 4.320 0.000 0.000 0.209 497 K C 2.970 179.358 176.600 -0.353 0.000 1.048 497 K CA 1.153 57.208 56.287 -0.388 0.000 0.926 497 K CB -0.344 32.123 32.500 -0.055 0.000 0.713 497 K HN 0.301 nan 8.250 nan 0.000 0.444 498 A N 1.732 124.360 122.820 -0.321 0.000 1.859 498 A HA -0.223 4.097 4.320 0.000 0.000 0.217 498 A C 2.137 179.495 177.584 -0.377 0.000 1.198 498 A CA 1.530 53.402 52.037 -0.274 0.000 0.629 498 A CB -0.497 18.373 19.000 -0.217 0.000 0.830 498 A HN 0.169 nan 8.150 nan 0.000 0.446 499 R N -1.682 118.447 120.500 -0.619 0.000 2.081 499 R HA -0.081 4.259 4.340 0.000 0.000 0.235 499 R C 1.519 177.373 176.300 -0.744 0.000 1.131 499 R CA 1.380 56.963 56.100 -0.862 0.000 0.960 499 R CB -0.429 28.868 30.300 -1.673 0.000 0.856 499 R HN 0.944 nan 8.270 nan 0.000 0.436 500 G N -1.471 106.919 108.800 -0.684 0.000 2.183 500 G HA2 -0.177 3.783 3.960 0.000 0.000 0.168 500 G HA3 -0.177 3.783 3.960 0.000 0.000 0.168 500 G C 0.543 175.395 174.900 -0.080 0.000 1.008 500 G CA -0.127 44.791 45.100 -0.303 0.000 0.677 500 G HN 0.167 nan 8.290 nan 0.000 0.498 501 F N 0.606 120.317 119.950 -0.398 0.000 2.171 501 F HA 0.313 4.840 4.527 0.000 0.000 0.300 501 F C 1.424 177.113 175.800 -0.185 0.000 1.090 501 F CA 0.803 58.592 58.000 -0.351 0.000 1.293 501 F CB -0.724 37.967 39.000 -0.516 0.000 1.013 501 F HN 0.367 nan 8.300 nan 0.000 0.486 502 F N -2.486 117.542 119.950 0.130 0.000 2.789 502 F HA 0.668 5.195 4.527 0.000 0.000 0.319 502 F C -0.446 175.366 175.800 0.020 0.000 1.168 502 F CA -2.064 55.972 58.000 0.061 0.000 0.934 502 F CB 0.912 39.940 39.000 0.046 0.000 1.375 502 F HN -0.391 nan 8.300 nan 0.000 0.480 503 K N 0.050 120.653 120.400 0.337 0.000 1.884 503 K HA 0.463 4.783 4.320 0.000 0.000 0.250 503 K C 0.523 177.233 176.600 0.184 0.000 1.009 503 K CA -0.849 55.553 56.287 0.191 0.000 0.925 503 K CB 1.054 33.612 32.500 0.096 0.000 1.839 503 K HN 0.609 nan 8.250 nan 0.000 0.735 504 K N 0.699 121.157 120.400 0.096 0.000 1.995 504 K HA -0.029 4.291 4.320 0.000 0.000 0.207 504 K C 1.925 178.544 176.600 0.030 0.000 1.041 504 K CA 1.581 57.904 56.287 0.060 0.000 0.942 504 K CB -0.851 31.671 32.500 0.037 0.000 0.731 504 K HN 0.644 nan 8.250 nan 0.000 0.439 505 G N 1.617 110.432 108.800 0.026 0.000 2.501 505 G HA2 -0.179 3.781 3.960 0.000 0.000 0.220 505 G HA3 -0.179 3.781 3.960 0.000 0.000 0.220 505 G C 0.014 174.912 174.900 -0.003 0.000 1.114 505 G CA 0.588 45.693 45.100 0.009 0.000 0.757 505 G HN 0.437 nan 8.290 nan 0.000 0.559 506 D N -0.344 120.061 120.400 0.008 0.000 2.370 506 D HA 0.262 4.902 4.640 0.000 0.000 0.235 506 D C 0.501 176.753 176.300 -0.081 0.000 1.228 506 D CA 0.158 54.151 54.000 -0.013 0.000 0.884 506 D CB 1.200 42.029 40.800 0.048 0.000 1.201 506 D HN 0.014 nan 8.370 nan 0.000 0.456 507 V N 0.110 119.970 119.914 -0.090 0.000 2.815 507 V HA 0.651 4.771 4.120 0.000 0.000 0.314 507 V C 0.241 176.236 176.094 -0.165 0.000 1.064 507 V CA -0.819 61.412 62.300 -0.114 0.000 0.952 507 V CB 2.184 33.965 31.823 -0.070 0.000 1.020 507 V HN 0.270 nan 8.190 nan 0.000 0.439 508 V N 3.465 123.272 119.914 -0.179 0.000 2.971 508 V HA 0.524 4.644 4.120 0.000 0.000 0.309 508 V C -0.803 175.218 176.094 -0.122 0.000 1.130 508 V CA -0.464 61.720 62.300 -0.193 0.000 0.964 508 V CB 2.488 34.120 31.823 -0.318 0.000 1.029 508 V HN 0.738 nan 8.190 nan 0.000 0.427 509 I N 3.208 123.722 120.570 -0.094 0.000 2.359 509 I HA 0.495 4.665 4.170 0.000 0.000 0.294 509 I C -0.758 175.330 176.117 -0.048 0.000 0.987 509 I CA -0.695 60.568 61.300 -0.062 0.000 1.225 509 I CB 1.910 39.877 38.000 -0.055 0.000 1.366 509 I HN 0.235 nan 8.210 nan 0.000 0.466 510 V N 7.772 127.667 119.914 -0.030 0.000 2.409 510 V HA 0.377 4.497 4.120 0.000 0.000 0.291 510 V C -0.162 175.941 176.094 0.016 0.000 1.020 510 V CA -0.531 61.760 62.300 -0.015 0.000 0.848 510 V CB 1.761 33.568 31.823 -0.027 0.000 0.990 510 V HN 0.463 nan 8.190 nan 0.000 0.430 511 L N 5.904 127.143 121.223 0.026 0.000 2.265 511 L HA 0.749 5.089 4.340 0.000 0.000 0.289 511 L C 0.328 177.240 176.870 0.069 0.000 1.033 511 L CA 0.202 55.076 54.840 0.057 0.000 0.814 511 L CB 1.750 43.846 42.059 0.061 0.000 1.203 511 L HN 0.905 nan 8.230 nan 0.000 0.423 512 T N -0.013 114.603 114.554 0.103 0.000 2.787 512 T HA 0.668 5.018 4.350 0.000 0.000 0.297 512 T C -0.130 174.686 174.700 0.192 0.000 1.221 512 T CA -0.545 61.631 62.100 0.127 0.000 1.006 512 T CB 1.561 70.478 68.868 0.082 0.000 1.328 512 T HN 0.501 nan 8.240 nan 0.000 0.509 513 G N -0.390 108.574 108.800 0.273 0.000 2.448 513 G HA2 0.394 4.354 3.960 0.000 0.000 0.285 513 G HA3 0.394 4.354 3.960 0.000 0.000 0.285 513 G C 0.409 175.540 174.900 0.385 0.000 1.176 513 G CA -0.820 44.437 45.100 0.262 0.000 0.852 513 G HN 0.846 nan 8.290 nan 0.000 0.530 514 W N 2.659 123.986 121.300 0.045 0.000 2.436 514 W HA 0.041 4.701 4.660 0.000 0.000 0.284 514 W C 0.525 177.056 176.519 0.019 0.000 1.225 514 W CA 0.447 57.825 57.345 0.055 0.000 1.271 514 W CB 0.315 29.754 29.460 -0.035 0.000 1.114 514 W HN 0.628 nan 8.180 nan 0.000 0.559 515 R N -0.499 119.863 120.500 -0.230 0.000 2.781 515 R HA 0.452 4.792 4.340 0.000 0.000 0.269 515 R C -2.865 172.697 176.300 -1.229 0.000 1.025 515 R CA -1.956 53.631 56.100 -0.855 0.000 0.914 515 R CB 0.536 30.538 30.300 -0.497 0.000 1.236 515 R HN -0.318 nan 8.270 nan 0.000 0.465 516 P HA 0.159 nan 4.420 nan 0.000 0.278 516 P C 0.087 177.021 177.300 -0.610 0.000 1.238 516 P CA 0.378 62.628 63.100 -1.416 0.000 0.794 516 P CB 0.944 32.012 31.700 -1.054 0.000 0.955 517 G N 1.246 109.822 108.800 -0.372 0.000 2.303 517 G HA2 -0.217 3.743 3.960 0.000 0.000 0.260 517 G HA3 -0.217 3.743 3.960 0.000 0.000 0.260 517 G C 0.767 175.546 174.900 -0.202 0.000 1.106 517 G CA 0.219 45.190 45.100 -0.215 0.000 0.900 517 G HN 0.478 nan 8.290 nan 0.000 0.495 518 S N -1.331 114.243 115.700 -0.210 0.000 2.438 518 S HA 0.457 4.927 4.470 0.000 0.000 0.220 518 S C 2.254 176.716 174.600 -0.230 0.000 1.045 518 S CA 1.925 59.979 58.200 -0.242 0.000 0.940 518 S CB -0.009 63.029 63.200 -0.270 0.000 0.863 518 S HN 2.248 nan 8.310 nan 0.000 0.539 519 G N 0.697 109.420 108.800 -0.128 0.000 2.253 519 G HA2 -0.122 3.838 3.960 0.000 0.000 0.209 519 G HA3 -0.122 3.838 3.960 0.000 0.000 0.209 519 G C 0.007 175.008 174.900 0.168 0.000 0.997 519 G CA 0.021 45.130 45.100 0.014 0.000 0.640 519 G HN 0.956 nan 8.290 nan 0.000 0.496 520 F N -0.802 119.169 119.950 0.034 0.000 2.725 520 F HA 0.572 5.099 4.527 0.000 0.000 0.311 520 F C -0.040 175.799 175.800 0.066 0.000 1.121 520 F CA -0.568 57.455 58.000 0.039 0.000 0.978 520 F CB 0.240 39.256 39.000 0.026 0.000 1.274 520 F HN 0.586 nan 8.300 nan 0.000 0.440 521 T N 0.839 115.568 114.554 0.292 0.000 2.833 521 T HA 0.102 4.452 4.350 0.000 0.000 0.254 521 T C 0.415 175.296 174.700 0.301 0.000 0.972 521 T CA 0.149 62.380 62.100 0.219 0.000 1.246 521 T CB -0.720 68.260 68.868 0.188 0.000 0.949 521 T HN 0.791 nan 8.240 nan 0.000 0.567 522 N N 1.661 120.410 118.700 0.082 0.000 2.276 522 N HA 0.073 4.813 4.740 0.000 0.000 0.212 522 N C -0.626 174.975 175.510 0.153 0.000 1.127 522 N CA -0.612 52.531 53.050 0.154 0.000 0.834 522 N CB 0.311 38.700 38.487 -0.163 0.000 1.014 522 N HN 0.539 nan 8.380 nan 0.000 0.491 523 T N 0.876 115.530 114.554 0.167 0.000 2.841 523 T HA 0.357 4.707 4.350 0.000 0.000 0.285 523 T C -0.643 174.131 174.700 0.124 0.000 0.991 523 T CA -0.674 61.521 62.100 0.158 0.000 0.966 523 T CB 1.980 71.001 68.868 0.254 0.000 0.962 523 T HN 0.129 nan 8.240 nan 0.000 0.438 524 M N 3.729 123.381 119.600 0.088 0.000 2.436 524 M HA 0.623 5.103 4.480 0.000 0.000 0.331 524 M C -1.332 174.995 176.300 0.045 0.000 1.135 524 M CA -0.563 54.773 55.300 0.060 0.000 0.987 524 M CB 1.461 34.085 32.600 0.040 0.000 1.687 524 M HN 0.600 nan 8.290 nan 0.000 0.445 525 R N 2.527 123.044 120.500 0.028 0.000 2.740 525 R HA 0.668 5.008 4.340 0.000 0.000 0.273 525 R C -1.700 174.593 176.300 -0.011 0.000 0.998 525 R CA -1.000 55.109 56.100 0.015 0.000 0.900 525 R CB 2.430 32.743 30.300 0.022 0.000 1.223 525 R HN 0.520 nan 8.270 nan 0.000 0.466 526 V N 2.625 122.530 119.914 -0.016 0.000 2.357 526 V HA 0.443 4.563 4.120 0.000 0.000 0.284 526 V C -0.174 175.897 176.094 -0.038 0.000 1.018 526 V CA -0.626 61.654 62.300 -0.033 0.000 0.841 526 V CB 1.478 33.283 31.823 -0.030 0.000 0.991 526 V HN 0.467 nan 8.190 nan 0.000 0.437 527 V N 6.650 126.528 119.914 -0.059 0.000 3.074 527 V HA 0.688 4.808 4.120 0.000 0.000 0.314 527 V C -2.607 173.433 176.094 -0.090 0.000 1.117 527 V CA -2.057 60.204 62.300 -0.064 0.000 1.014 527 V CB 2.982 34.766 31.823 -0.065 0.000 1.057 527 V HN 0.697 nan 8.190 nan 0.000 0.438 528 P HA 0.440 nan 4.420 nan 0.000 0.298 528 P C -1.066 176.172 177.300 -0.103 0.000 1.334 528 P CA -0.735 62.313 63.100 -0.087 0.000 0.942 528 P CB 1.663 33.333 31.700 -0.052 0.000 1.162 529 V N 3.064 122.902 119.914 -0.127 0.000 2.485 529 V HA 0.108 4.228 4.120 0.000 0.000 0.287 529 V C -1.765 174.307 176.094 -0.036 0.000 1.022 529 V CA -1.002 61.230 62.300 -0.113 0.000 1.067 529 V CB -0.696 31.061 31.823 -0.110 0.000 0.967 529 V HN 0.543 nan 8.190 nan 0.000 0.479 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 530 P CB 0.000 31.695 31.700 -0.008 0.000 0.726