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 3h1c_1_V DATA FIRST_RESID 1 DATA SEQUENCE MLNPIVRKFQ YGQHTVTLET GMMARQATAA VMVSMDDTAV FVTVVGQKKA DATA SEQUENCE KPGQDFFPLT VNYQERTYAA GRIPGSFFRR EGRPSEGETL IARLIDRPIR DATA SEQUENCE PLFPEGFVNE VQVIATVVSV NPQVNPDIVA MIGASAALSL SGIPFNGPIG DATA SEQUENCE AARVGYINDQ YVLNPTQDEL KESKLDLVVA GTEAAVLMVE SEAQLLSEDQ DATA SEQUENCE MLGAVVFGHE QQQVVIQNIN ELVKEAGKPR WDWQPEPVNE ALNARVAALA DATA SEQUENCE EARLSDAYRI TDKQERYAQV DVIKSETIAT LLAEDETLDE NELGEILHAI DATA SEQUENCE EKNVVRSRVL AGEPRIDGRE KDMIRGLDVR TGVLPRTHGS ALFTRGETQA DATA SEQUENCE LVTATLGTAR DAQVLDELMG ERTDTFLFHY NFPPYSVGET GMVGSPKRRE DATA SEQUENCE IGHGRLAKRG VLAVMPDMDK FPYTVRVVSE ITESNGSSSM ASVCGASLAL DATA SEQUENCE MDAGVPIKAA VAGIAMGLVK EGDNYVVLSD ILGDEDHLGD MDFKVAGSRD DATA SEQUENCE GISALQMDIK IEGITKEIMQ VALNQAKGAR LHILGVMEQA INAP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.307 176.300 0.012 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.606 32.600 0.009 0.000 1.302 2 L N 0.817 122.047 121.223 0.012 0.000 2.385 2 L HA 1.017 5.357 4.340 0.000 0.000 0.273 2 L C -0.636 176.243 176.870 0.015 0.000 0.990 2 L CA -0.909 53.940 54.840 0.015 0.000 0.821 2 L CB 2.312 44.380 42.059 0.015 0.000 1.279 2 L HN 0.744 nan 8.230 nan 0.000 0.412 3 N N 2.653 121.364 118.700 0.017 0.000 2.500 3 N HA 0.479 5.219 4.740 0.000 0.000 0.291 3 N C -2.797 172.726 175.510 0.022 0.000 1.092 3 N CA -0.738 52.323 53.050 0.018 0.000 0.890 3 N CB 2.718 41.215 38.487 0.016 0.000 1.466 3 N HN 0.603 nan 8.380 nan 0.000 0.507 4 P HA 0.371 nan 4.420 nan 0.000 0.278 4 P C -0.469 176.848 177.300 0.027 0.000 1.238 4 P CA -0.395 62.722 63.100 0.029 0.000 0.794 4 P CB 1.309 33.027 31.700 0.030 0.000 0.955 5 I N 2.769 123.356 120.570 0.029 0.000 2.321 5 I HA 0.297 4.467 4.170 0.000 0.000 0.291 5 I C 0.394 176.530 176.117 0.032 0.000 0.998 5 I CA -0.827 60.489 61.300 0.027 0.000 1.227 5 I CB 1.197 39.211 38.000 0.023 0.000 1.368 5 I HN 0.112 nan 8.210 nan 0.000 0.466 6 V N 8.132 128.065 119.914 0.032 0.000 2.680 6 V HA 0.649 4.770 4.120 0.000 0.000 0.309 6 V C -0.569 175.553 176.094 0.047 0.000 1.052 6 V CA -0.655 61.668 62.300 0.039 0.000 0.908 6 V CB 2.733 34.577 31.823 0.034 0.000 1.001 6 V HN 0.896 nan 8.190 nan 0.000 0.431 7 R N 4.581 125.121 120.500 0.066 0.000 2.533 7 R HA 0.576 4.916 4.340 0.000 0.000 0.288 7 R C -1.445 174.938 176.300 0.139 0.000 1.039 7 R CA -0.683 55.475 56.100 0.097 0.000 0.909 7 R CB 1.723 32.084 30.300 0.100 0.000 1.195 7 R HN 0.743 nan 8.270 nan 0.000 0.438 8 K N 4.457 124.937 120.400 0.134 0.000 2.270 8 K HA 0.482 4.802 4.320 0.000 0.000 0.255 8 K C -1.302 175.421 176.600 0.205 0.000 0.936 8 K CA -0.690 55.655 56.287 0.098 0.000 0.809 8 K CB 1.655 34.175 32.500 0.035 0.000 1.131 8 K HN 0.431 nan 8.250 nan 0.000 0.427 9 F N -1.266 118.696 119.950 0.020 0.000 2.619 9 F HA 0.357 4.884 4.527 0.000 0.000 0.308 9 F C -0.841 174.996 175.800 0.061 0.000 1.097 9 F CA -1.281 56.735 58.000 0.028 0.000 0.953 9 F CB 1.161 40.166 39.000 0.010 0.000 1.287 9 F HN 0.158 nan 8.300 nan 0.000 0.446 10 Q N 2.329 122.235 119.800 0.176 0.000 2.314 10 Q HA 0.191 4.531 4.340 0.000 0.000 0.258 10 Q C -1.701 174.463 176.000 0.273 0.000 0.954 10 Q CA -0.078 55.797 55.803 0.120 0.000 0.890 10 Q CB 1.792 30.587 28.738 0.096 0.000 1.210 10 Q HN 0.849 nan 8.270 nan 0.000 0.410 11 Y N 1.044 121.361 120.300 0.029 0.000 2.400 11 Y HA 0.383 4.934 4.550 0.000 0.000 0.335 11 Y C 0.638 176.570 175.900 0.053 0.000 1.066 11 Y CA 0.368 58.516 58.100 0.081 0.000 1.285 11 Y CB 0.454 38.968 38.460 0.090 0.000 1.103 11 Y HN 0.834 nan 8.280 nan 0.000 0.490 12 G N 3.997 112.660 108.800 -0.229 0.000 3.879 12 G HA2 -0.322 3.638 3.960 0.000 0.000 0.318 12 G HA3 -0.322 3.638 3.960 0.000 0.000 0.318 12 G C 0.706 175.510 174.900 -0.160 0.000 1.344 12 G CA 0.974 45.919 45.100 -0.259 0.000 1.024 12 G HN 0.502 nan 8.290 nan 0.000 0.681 13 Q N 0.832 120.504 119.800 -0.213 0.000 2.157 13 Q HA 0.208 4.549 4.340 0.000 0.000 0.235 13 Q C 0.185 175.919 176.000 -0.442 0.000 0.803 13 Q CA 0.285 55.898 55.803 -0.317 0.000 0.967 13 Q CB 0.968 29.467 28.738 -0.397 0.000 1.150 13 Q HN 0.809 nan 8.270 nan 0.000 0.482 14 H N 0.117 119.167 119.070 -0.035 0.000 2.621 14 H HA 0.428 4.985 4.556 0.001 0.000 0.360 14 H C -0.393 174.920 175.328 -0.024 0.000 1.163 14 H CA -0.278 55.759 56.048 -0.017 0.000 1.194 14 H CB 1.722 31.483 29.762 -0.000 0.000 1.649 14 H HN -0.195 nan 8.280 nan 0.000 0.532 15 T N 2.356 116.953 114.554 0.071 0.000 2.767 15 T HA 0.281 4.631 4.350 0.000 0.000 0.288 15 T C 0.332 174.943 174.700 -0.149 0.000 0.963 15 T CA -0.655 61.411 62.100 -0.057 0.000 1.019 15 T CB 0.763 69.605 68.868 -0.043 0.000 0.923 15 T HN 0.177 nan 8.240 nan 0.000 0.468 16 V N 4.266 123.930 119.914 -0.416 0.000 2.394 16 V HA 0.419 4.540 4.120 0.000 0.000 0.282 16 V C 0.385 176.194 176.094 -0.475 0.000 1.031 16 V CA -0.679 61.311 62.300 -0.517 0.000 0.881 16 V CB 1.397 32.731 31.823 -0.814 0.000 0.982 16 V HN 0.962 nan 8.190 nan 0.000 0.451 17 T N 6.790 121.226 114.554 -0.197 0.000 2.779 17 T HA 0.678 5.029 4.350 0.000 0.000 0.280 17 T C -0.411 174.285 174.700 -0.006 0.000 0.987 17 T CA -0.334 61.721 62.100 -0.076 0.000 0.966 17 T CB 0.957 69.803 68.868 -0.035 0.000 0.933 17 T HN 0.371 nan 8.240 nan 0.000 0.442 18 L N 3.024 124.279 121.223 0.053 0.000 2.313 18 L HA 0.644 4.985 4.340 0.000 0.000 0.283 18 L C 0.141 177.045 176.870 0.056 0.000 1.013 18 L CA -0.668 54.214 54.840 0.069 0.000 0.816 18 L CB 1.619 43.746 42.059 0.113 0.000 1.236 18 L HN 0.607 nan 8.230 nan 0.000 0.419 19 E N 2.025 122.256 120.200 0.052 0.000 2.256 19 E HA 0.597 4.947 4.350 0.000 0.000 0.268 19 E C -1.488 175.146 176.600 0.057 0.000 0.877 19 E CA -0.339 56.093 56.400 0.054 0.000 0.757 19 E CB 2.521 32.257 29.700 0.060 0.000 1.183 19 E HN 0.537 nan 8.360 nan 0.000 0.418 20 T N 1.694 116.276 114.554 0.046 0.000 2.843 20 T HA 0.659 5.009 4.350 0.000 0.000 0.302 20 T C 0.326 175.051 174.700 0.042 0.000 1.232 20 T CA 0.633 62.758 62.100 0.042 0.000 1.009 20 T CB 1.413 70.289 68.868 0.013 0.000 1.254 20 T HN 0.777 nan 8.240 nan 0.000 0.504 21 G N 2.042 110.870 108.800 0.046 0.000 2.493 21 G HA2 -0.222 3.738 3.960 0.000 0.000 0.206 21 G HA3 -0.222 3.738 3.960 0.000 0.000 0.206 21 G C 1.041 175.970 174.900 0.049 0.000 1.109 21 G CA 0.779 45.904 45.100 0.041 0.000 0.689 21 G HN 0.753 nan 8.290 nan 0.000 0.516 22 M N 0.582 120.215 119.600 0.055 0.000 2.191 22 M HA 0.478 4.958 4.480 0.000 0.000 0.262 22 M C 1.322 177.662 176.300 0.066 0.000 1.083 22 M CA 0.850 56.180 55.300 0.050 0.000 1.154 22 M CB 0.032 32.656 32.600 0.040 0.000 1.344 22 M HN 0.319 nan 8.290 nan 0.000 0.431 23 M N 1.067 120.729 119.600 0.105 0.000 2.200 23 M HA 0.228 4.708 4.480 0.000 0.000 0.355 23 M C 0.473 176.899 176.300 0.209 0.000 1.283 23 M CA 0.044 55.435 55.300 0.152 0.000 1.124 23 M CB 0.778 33.510 32.600 0.219 0.000 1.625 23 M HN 0.458 nan 8.290 nan 0.000 0.463 24 A N 3.043 125.975 122.820 0.187 0.000 2.416 24 A HA -0.211 4.109 4.320 0.000 0.000 0.293 24 A C 0.952 178.595 177.584 0.097 0.000 1.452 24 A CA 0.807 52.940 52.037 0.161 0.000 0.738 24 A CB -1.234 17.904 19.000 0.230 0.000 1.123 24 A HN 1.017 nan 8.150 nan 0.000 0.389 25 R N -0.476 120.068 120.500 0.073 0.000 2.193 25 R HA -0.086 4.255 4.340 0.000 0.000 0.213 25 R C 2.146 178.477 176.300 0.050 0.000 1.055 25 R CA 1.350 57.483 56.100 0.055 0.000 0.995 25 R CB -0.001 30.326 30.300 0.045 0.000 0.893 25 R HN 0.875 nan 8.270 nan 0.000 0.459 26 Q N 0.635 120.466 119.800 0.051 0.000 2.245 26 Q HA 0.072 4.412 4.340 0.000 0.000 0.201 26 Q C 0.199 176.230 176.000 0.051 0.000 0.955 26 Q CA 0.424 56.255 55.803 0.047 0.000 0.870 26 Q CB 0.314 29.078 28.738 0.042 0.000 0.945 26 Q HN 0.248 nan 8.270 nan 0.000 0.461 27 A N -0.287 122.565 122.820 0.053 0.000 2.296 27 A HA 0.191 4.512 4.320 0.000 0.000 0.264 27 A C 1.040 178.650 177.584 0.044 0.000 1.097 27 A CA 0.071 52.135 52.037 0.046 0.000 0.811 27 A CB 0.437 19.459 19.000 0.037 0.000 1.072 27 A HN 0.345 nan 8.150 nan 0.000 0.495 28 T N 0.435 115.013 114.554 0.040 0.000 2.737 28 T HA 0.278 4.628 4.350 0.000 0.000 0.265 28 T C 0.752 175.456 174.700 0.006 0.000 1.038 28 T CA 1.721 63.849 62.100 0.047 0.000 1.144 28 T CB -0.236 68.659 68.868 0.045 0.000 0.866 28 T HN 1.420 nan 8.240 nan 0.000 0.434 29 A N -0.169 122.630 122.820 -0.036 0.000 2.566 29 A HA 0.781 5.101 4.320 0.000 0.000 0.297 29 A C -1.601 175.919 177.584 -0.107 0.000 1.059 29 A CA -0.446 51.552 52.037 -0.065 0.000 0.691 29 A CB 1.344 20.285 19.000 -0.099 0.000 1.282 29 A HN 0.535 nan 8.150 nan 0.000 0.401 30 A N 1.191 123.945 122.820 -0.109 0.000 2.442 30 A HA 0.652 4.972 4.320 0.000 0.000 0.284 30 A C -1.286 176.204 177.584 -0.156 0.000 1.058 30 A CA -0.359 51.548 52.037 -0.217 0.000 0.738 30 A CB 1.119 20.026 19.000 -0.155 0.000 1.242 30 A HN 1.566 nan 8.150 nan 0.000 0.421 31 V N 2.761 122.543 119.914 -0.219 0.000 2.448 31 V HA 0.501 4.621 4.120 0.000 0.000 0.295 31 V C -0.094 175.964 176.094 -0.059 0.000 1.025 31 V CA -0.418 61.824 62.300 -0.097 0.000 0.859 31 V CB 1.553 33.325 31.823 -0.085 0.000 0.988 31 V HN 0.952 nan 8.190 nan 0.000 0.431 32 M N 6.623 126.265 119.600 0.071 0.000 2.261 32 M HA 0.418 4.899 4.480 0.000 0.000 0.349 32 M C -0.880 175.465 176.300 0.075 0.000 1.305 32 M CA 0.125 55.514 55.300 0.148 0.000 1.240 32 M CB 0.546 33.265 32.600 0.200 0.000 1.394 32 M HN 0.438 nan 8.290 nan 0.000 0.438 33 V N 4.490 124.435 119.914 0.051 0.000 2.370 33 V HA 0.621 4.741 4.120 0.000 0.000 0.279 33 V C -0.228 175.878 176.094 0.020 0.000 1.029 33 V CA -0.578 61.736 62.300 0.024 0.000 0.870 33 V CB 1.088 32.916 31.823 0.008 0.000 0.984 33 V HN 0.890 nan 8.190 nan 0.000 0.451 34 S N 5.021 120.719 115.700 -0.003 0.000 2.502 34 S HA 0.769 5.239 4.470 0.000 0.000 0.304 34 S C -0.640 173.933 174.600 -0.044 0.000 1.097 34 S CA -0.742 57.450 58.200 -0.012 0.000 1.045 34 S CB 1.830 65.028 63.200 -0.003 0.000 1.019 34 S HN 0.655 nan 8.310 nan 0.000 0.481 35 M N 3.096 122.671 119.600 -0.042 0.000 1.998 35 M HA 0.255 4.735 4.480 0.000 0.000 0.289 35 M C -1.008 175.243 176.300 -0.083 0.000 0.886 35 M CA 0.214 55.478 55.300 -0.061 0.000 0.853 35 M CB -0.075 32.489 32.600 -0.059 0.000 1.462 35 M HN 1.084 nan 8.290 nan 0.000 0.375 36 D N 2.911 123.293 120.400 -0.029 0.000 2.848 36 D HA -0.191 4.449 4.640 0.000 0.000 0.245 36 D C -0.148 176.142 176.300 -0.016 0.000 1.122 36 D CA 1.748 55.752 54.000 0.006 0.000 0.769 36 D CB -0.368 40.457 40.800 0.041 0.000 1.025 36 D HN 0.914 nan 8.370 nan 0.000 0.423 37 D N -1.296 119.100 120.400 -0.007 0.000 2.653 37 D HA -0.166 4.475 4.640 0.000 0.000 0.184 37 D C -0.038 176.256 176.300 -0.011 0.000 0.993 37 D CA 1.770 55.768 54.000 -0.004 0.000 1.027 37 D CB -1.350 39.450 40.800 -0.000 0.000 1.089 37 D HN 0.508 nan 8.370 nan 0.000 0.447 38 T N 0.448 114.987 114.554 -0.026 0.000 2.767 38 T HA 0.732 5.083 4.350 0.000 0.000 0.284 38 T C 0.004 174.699 174.700 -0.008 0.000 0.973 38 T CA 0.210 62.297 62.100 -0.022 0.000 0.996 38 T CB 1.905 70.750 68.868 -0.039 0.000 0.927 38 T HN 0.336 nan 8.240 nan 0.000 0.456 39 A N 2.772 125.596 122.820 0.008 0.000 2.486 39 A HA 0.759 5.079 4.320 0.000 0.000 0.300 39 A C -1.134 176.479 177.584 0.049 0.000 1.048 39 A CA -0.685 51.370 52.037 0.030 0.000 0.696 39 A CB 1.526 20.550 19.000 0.041 0.000 1.278 39 A HN 0.640 nan 8.150 nan 0.000 0.405 40 V N 2.137 122.094 119.914 0.071 0.000 2.443 40 V HA 0.386 4.507 4.120 0.000 0.000 0.293 40 V C -0.877 175.295 176.094 0.130 0.000 1.021 40 V CA -0.327 62.029 62.300 0.094 0.000 0.848 40 V CB 1.294 33.181 31.823 0.105 0.000 0.998 40 V HN 0.818 nan 8.190 nan 0.000 0.424 41 F N 6.311 126.262 119.950 0.000 0.000 2.438 41 F HA 0.589 5.117 4.527 0.000 0.000 0.360 41 F C -0.116 175.687 175.800 0.005 0.000 1.118 41 F CA -0.155 57.847 58.000 0.004 0.000 1.164 41 F CB 0.815 39.819 39.000 0.007 0.000 1.131 41 F HN 0.277 nan 8.300 nan 0.000 0.527 42 V N 5.044 124.671 119.914 -0.479 0.000 2.495 42 V HA 0.525 4.645 4.120 0.000 0.000 0.298 42 V C -0.192 175.588 176.094 -0.523 0.000 1.031 42 V CA -0.642 61.440 62.300 -0.364 0.000 0.871 42 V CB 1.882 33.597 31.823 -0.179 0.000 0.988 42 V HN 0.821 nan 8.190 nan 0.000 0.432 43 T N 1.313 115.654 114.554 -0.355 0.000 2.887 43 T HA 0.813 5.163 4.350 0.000 0.000 0.288 43 T C -0.886 173.721 174.700 -0.155 0.000 1.021 43 T CA -0.795 61.142 62.100 -0.272 0.000 1.000 43 T CB 1.911 70.665 68.868 -0.189 0.000 1.034 43 T HN 0.309 nan 8.240 nan 0.000 0.467 44 V N 2.576 122.409 119.914 -0.134 0.000 2.483 44 V HA 0.570 4.690 4.120 0.000 0.000 0.297 44 V C -0.609 175.442 176.094 -0.071 0.000 1.027 44 V CA -0.726 61.511 62.300 -0.105 0.000 0.855 44 V CB 1.772 33.509 31.823 -0.143 0.000 0.995 44 V HN 0.919 nan 8.190 nan 0.000 0.424 45 V N 3.772 123.660 119.914 -0.044 0.000 2.448 45 V HA 0.844 4.964 4.120 0.000 0.000 0.295 45 V C 0.504 176.598 176.094 0.000 0.000 1.025 45 V CA -0.332 61.963 62.300 -0.008 0.000 0.859 45 V CB 1.814 33.641 31.823 0.006 0.000 0.988 45 V HN 0.941 nan 8.190 nan 0.000 0.431 46 G N 3.161 111.986 108.800 0.042 0.000 2.590 46 G HA2 0.560 4.521 3.960 0.000 0.000 0.310 46 G HA3 0.560 4.521 3.960 0.000 0.000 0.310 46 G C -0.898 174.169 174.900 0.278 0.000 1.347 46 G CA -0.546 44.608 45.100 0.091 0.000 0.963 46 G HN 0.594 nan 8.290 nan 0.000 0.494 47 Q N 1.207 121.139 119.800 0.220 0.000 2.332 47 Q HA 0.124 4.464 4.340 0.000 0.000 0.263 47 Q C 0.809 176.975 176.000 0.276 0.000 0.979 47 Q CA -0.474 55.441 55.803 0.186 0.000 0.885 47 Q CB 1.660 30.434 28.738 0.061 0.000 1.218 47 Q HN 0.410 nan 8.270 nan 0.000 0.405 48 K N 1.816 122.278 120.400 0.104 0.000 2.057 48 K HA -0.093 4.227 4.320 0.000 0.000 0.206 48 K C 0.322 176.858 176.600 -0.107 0.000 1.050 48 K CA 1.370 57.580 56.287 -0.128 0.000 0.935 48 K CB 0.056 32.456 32.500 -0.166 0.000 0.715 48 K HN 0.554 nan 8.250 nan 0.000 0.439 49 K N 0.021 120.391 120.400 -0.050 0.000 2.270 49 K HA 0.618 4.939 4.320 0.000 0.000 0.255 49 K C -0.714 175.853 176.600 -0.055 0.000 0.936 49 K CA -0.658 55.599 56.287 -0.050 0.000 0.809 49 K CB 2.406 34.881 32.500 -0.041 0.000 1.131 49 K HN -0.140 nan 8.250 nan 0.000 0.427 50 A N 1.990 124.762 122.820 -0.080 0.000 2.259 50 A HA 0.299 4.620 4.320 0.000 0.000 0.278 50 A C -0.320 177.214 177.584 -0.083 0.000 1.107 50 A CA -0.736 51.234 52.037 -0.112 0.000 0.828 50 A CB 0.343 19.245 19.000 -0.164 0.000 1.111 50 A HN 0.597 nan 8.150 nan 0.000 0.498 51 K N 1.327 121.665 120.400 -0.102 0.000 2.382 51 K HA 0.205 4.525 4.320 0.000 0.000 0.275 51 K C -1.618 174.946 176.600 -0.060 0.000 1.009 51 K CA -0.362 55.877 56.287 -0.079 0.000 0.970 51 K CB 0.407 32.848 32.500 -0.098 0.000 0.934 51 K HN 0.717 nan 8.250 nan 0.000 0.479 52 P HA -0.084 nan 4.420 nan 0.000 0.218 52 P C 0.608 177.898 177.300 -0.018 0.000 1.149 52 P CA 1.172 64.258 63.100 -0.022 0.000 0.817 52 P CB 0.209 31.901 31.700 -0.014 0.000 0.785 53 G N 0.089 108.877 108.800 -0.022 0.000 4.804 53 G HA2 0.263 4.223 3.960 0.000 0.000 0.310 53 G HA3 0.263 4.223 3.960 0.000 0.000 0.310 53 G C -0.479 174.407 174.900 -0.023 0.000 1.389 53 G CA -0.006 45.088 45.100 -0.009 0.000 1.106 53 G HN 0.124 nan 8.290 nan 0.000 0.595 54 Q N 0.268 120.033 119.800 -0.059 0.000 2.293 54 Q HA 0.482 4.823 4.340 0.000 0.000 0.261 54 Q C -0.055 175.898 176.000 -0.079 0.000 0.960 54 Q CA -0.552 55.172 55.803 -0.131 0.000 0.882 54 Q CB 2.206 30.813 28.738 -0.219 0.000 1.275 54 Q HN 0.175 nan 8.270 nan 0.000 0.445 55 D N 2.222 122.592 120.400 -0.051 0.000 2.461 55 D HA 0.088 4.729 4.640 0.000 0.000 0.266 55 D C -0.249 176.112 176.300 0.101 0.000 1.085 55 D CA 0.192 54.223 54.000 0.053 0.000 0.887 55 D CB 0.275 41.144 40.800 0.115 0.000 1.309 55 D HN 0.435 nan 8.370 nan 0.000 0.498 56 F N -0.252 119.717 119.950 0.031 0.000 2.411 56 F HA 0.572 5.099 4.527 0.000 0.000 0.324 56 F C -0.512 175.353 175.800 0.108 0.000 1.086 56 F CA -1.587 56.448 58.000 0.059 0.000 1.028 56 F CB 0.410 39.427 39.000 0.029 0.000 1.284 56 F HN -0.241 nan 8.300 nan 0.000 0.501 57 F N 3.822 123.839 119.950 0.111 0.000 2.390 57 F HA 0.534 5.061 4.527 0.001 0.000 0.361 57 F C -2.539 173.293 175.800 0.054 0.000 1.124 57 F CA -3.578 54.413 58.000 -0.014 0.000 1.149 57 F CB 0.580 39.597 39.000 0.028 0.000 1.160 57 F HN 0.237 nan 8.300 nan 0.000 0.501 58 P HA 0.250 nan 4.420 nan 0.000 0.274 58 P C -1.248 175.603 177.300 -0.747 0.000 1.504 58 P CA -0.271 62.561 63.100 -0.448 0.000 1.011 58 P CB 1.131 32.620 31.700 -0.353 0.000 1.366 59 L N 3.217 124.073 121.223 -0.612 0.000 2.298 59 L HA 0.616 4.956 4.340 0.000 0.000 0.284 59 L C -0.373 176.387 176.870 -0.183 0.000 1.013 59 L CA -0.035 54.518 54.840 -0.478 0.000 0.824 59 L CB 1.900 43.750 42.059 -0.349 0.000 1.221 59 L HN 0.240 nan 8.230 nan 0.000 0.418 60 T N 4.840 119.310 114.554 -0.138 0.000 2.809 60 T HA 0.658 5.009 4.350 0.000 0.000 0.284 60 T C -1.296 173.386 174.700 -0.029 0.000 0.992 60 T CA -0.409 61.654 62.100 -0.062 0.000 0.957 60 T CB 0.766 69.603 68.868 -0.052 0.000 0.942 60 T HN 0.323 nan 8.240 nan 0.000 0.439 61 V N 6.776 126.690 119.914 -0.001 0.000 2.378 61 V HA 0.520 4.640 4.120 0.000 0.000 0.288 61 V C -0.425 175.693 176.094 0.041 0.000 1.016 61 V CA -1.058 61.255 62.300 0.022 0.000 0.840 61 V CB 1.557 33.400 31.823 0.033 0.000 0.994 61 V HN 0.818 nan 8.190 nan 0.000 0.431 62 N N 3.957 122.685 118.700 0.048 0.000 2.476 62 N HA 0.308 5.049 4.740 0.000 0.000 0.257 62 N C -1.234 174.341 175.510 0.107 0.000 0.970 62 N CA -0.329 52.759 53.050 0.062 0.000 0.938 62 N CB 1.870 40.374 38.487 0.029 0.000 1.144 62 N HN 0.741 nan 8.380 nan 0.000 0.500 63 Y N 2.772 123.068 120.300 -0.007 0.000 2.356 63 Y HA 0.216 4.767 4.550 0.001 0.000 0.334 63 Y C -0.547 175.351 175.900 -0.003 0.000 0.958 63 Y CA -0.775 57.321 58.100 -0.007 0.000 1.196 63 Y CB 0.793 39.247 38.460 -0.010 0.000 1.137 63 Y HN 0.403 nan 8.280 nan 0.000 0.485 64 Q N 4.313 123.848 119.800 -0.442 0.000 2.321 64 Q HA 0.463 4.803 4.340 0.000 0.000 0.270 64 Q C -1.496 174.203 176.000 -0.502 0.000 1.032 64 Q CA -0.912 54.672 55.803 -0.366 0.000 0.784 64 Q CB 2.220 30.865 28.738 -0.156 0.000 1.264 64 Q HN 0.650 nan 8.270 nan 0.000 0.448 65 E N 2.982 122.930 120.200 -0.420 0.000 2.167 65 E HA 0.274 4.624 4.350 0.000 0.000 0.284 65 E C -0.714 175.756 176.600 -0.218 0.000 1.016 65 E CA -0.487 55.720 56.400 -0.321 0.000 0.817 65 E CB 1.277 30.856 29.700 -0.201 0.000 1.080 65 E HN 0.365 nan 8.360 nan 0.000 0.397 66 R N 1.149 121.487 120.500 -0.270 0.000 2.428 66 R HA 0.138 4.479 4.340 0.000 0.000 0.294 66 R C 1.232 177.335 176.300 -0.328 0.000 1.000 66 R CA -0.169 55.750 56.100 -0.302 0.000 0.960 66 R CB 0.950 30.967 30.300 -0.472 0.000 1.076 66 R HN 0.617 nan 8.270 nan 0.000 0.475 67 T N -1.335 113.118 114.554 -0.168 0.000 2.951 67 T HA -0.166 4.184 4.350 0.000 0.000 0.268 67 T C 1.665 176.335 174.700 -0.050 0.000 1.073 67 T CA 0.965 63.020 62.100 -0.075 0.000 1.134 67 T CB -0.309 68.566 68.868 0.012 0.000 0.884 67 T HN 0.771 nan 8.240 nan 0.000 0.479 68 Y N 1.009 121.301 120.300 -0.013 0.000 2.632 68 Y HA 0.633 5.183 4.550 0.000 0.000 0.301 68 Y C 2.348 178.240 175.900 -0.013 0.000 1.172 68 Y CA -0.505 57.587 58.100 -0.013 0.000 1.328 68 Y CB -0.779 37.671 38.460 -0.017 0.000 1.016 68 Y HN 0.239 nan 8.280 nan 0.000 0.529 69 A N 1.273 123.910 122.820 -0.305 0.000 1.930 69 A HA 0.077 4.398 4.320 0.000 0.000 0.217 69 A C 2.329 179.878 177.584 -0.059 0.000 1.175 69 A CA 1.479 53.403 52.037 -0.187 0.000 0.627 69 A CB -1.000 17.855 19.000 -0.243 0.000 0.815 69 A HN 0.616 nan 8.150 nan 0.000 0.443 70 A N -1.826 120.966 122.820 -0.046 0.000 2.195 70 A HA 0.445 4.766 4.320 0.000 0.000 0.210 70 A C 1.510 179.102 177.584 0.014 0.000 1.165 70 A CA 1.050 53.080 52.037 -0.011 0.000 0.806 70 A CB -0.663 18.329 19.000 -0.013 0.000 0.847 70 A HN 1.938 nan 8.150 nan 0.000 0.482 71 G N -0.582 108.240 108.800 0.036 0.000 2.452 71 G HA2 -0.167 3.793 3.960 0.000 0.000 0.275 71 G HA3 -0.167 3.793 3.960 0.000 0.000 0.275 71 G C -0.184 174.742 174.900 0.043 0.000 1.131 71 G CA 0.328 45.461 45.100 0.055 0.000 1.031 71 G HN 0.721 nan 8.290 nan 0.000 0.511 72 R N -0.534 119.996 120.500 0.050 0.000 2.643 72 R HA 0.567 4.907 4.340 0.000 0.000 0.269 72 R C -0.308 176.019 176.300 0.046 0.000 1.037 72 R CA -1.158 54.964 56.100 0.037 0.000 0.894 72 R CB 1.220 31.534 30.300 0.024 0.000 1.238 72 R HN 0.202 nan 8.270 nan 0.000 0.459 73 I N 5.103 125.693 120.570 0.034 0.000 2.371 73 I HA 0.243 4.413 4.170 0.000 0.000 0.290 73 I C -1.564 174.571 176.117 0.030 0.000 1.028 73 I CA -1.819 59.501 61.300 0.033 0.000 1.345 73 I CB 1.124 39.134 38.000 0.017 0.000 1.407 73 I HN 0.395 nan 8.210 nan 0.000 0.501 74 P HA 0.003 nan 4.420 nan 0.000 0.267 74 P C 0.683 178.005 177.300 0.036 0.000 1.200 74 P CA -0.135 62.989 63.100 0.040 0.000 0.772 74 P CB 0.611 32.343 31.700 0.052 0.000 0.855 75 G N 0.662 109.486 108.800 0.041 0.000 3.181 75 G HA2 0.000 3.961 3.960 0.000 0.000 0.219 75 G HA3 0.000 3.961 3.960 0.000 0.000 0.219 75 G C 0.700 175.638 174.900 0.063 0.000 1.182 75 G CA 0.045 45.170 45.100 0.041 0.000 0.791 75 G HN 0.599 nan 8.290 nan 0.000 0.537 76 S N -1.053 114.697 115.700 0.082 0.000 2.614 76 S HA 0.294 4.765 4.470 0.000 0.000 0.265 76 S C 1.050 175.726 174.600 0.128 0.000 1.303 76 S CA -0.700 57.580 58.200 0.135 0.000 1.000 76 S CB 0.617 63.920 63.200 0.172 0.000 0.935 76 S HN 0.197 nan 8.310 nan 0.000 0.551 77 F N 1.843 121.789 119.950 -0.006 0.000 2.206 77 F HA 0.108 4.635 4.527 -0.000 0.000 0.298 77 F C 1.205 176.866 175.800 -0.232 0.000 1.090 77 F CA 1.378 59.281 58.000 -0.162 0.000 1.323 77 F CB -0.198 38.624 39.000 -0.296 0.000 1.028 77 F HN 0.659 nan 8.300 nan 0.000 0.492 78 F N 0.309 120.340 119.950 0.135 0.000 2.710 78 F HA 0.182 4.709 4.527 0.000 0.000 0.298 78 F C 0.839 176.634 175.800 -0.009 0.000 1.137 78 F CA 0.353 58.382 58.000 0.048 0.000 1.444 78 F CB -0.336 38.722 39.000 0.096 0.000 1.111 78 F HN -0.238 nan 8.300 nan 0.000 0.580 79 R N 0.907 121.492 120.500 0.142 0.000 3.209 79 R HA -0.207 4.133 4.340 0.000 0.000 0.252 79 R C -0.143 176.216 176.300 0.098 0.000 0.958 79 R CA 0.303 56.450 56.100 0.079 0.000 0.651 79 R CB -1.711 28.596 30.300 0.010 0.000 1.142 79 R HN 0.356 nan 8.270 nan 0.000 0.441 80 R N 0.418 120.991 120.500 0.123 0.000 2.680 80 R HA 0.179 4.519 4.340 0.000 0.000 0.269 80 R C -1.130 175.215 176.300 0.074 0.000 1.026 80 R CA -0.925 55.230 56.100 0.091 0.000 0.889 80 R CB 1.450 31.801 30.300 0.084 0.000 1.241 80 R HN 0.079 nan 8.270 nan 0.000 0.463 81 E N 0.752 120.984 120.200 0.053 0.000 2.159 81 E HA 0.179 4.530 4.350 0.000 0.000 0.272 81 E C 0.252 176.864 176.600 0.019 0.000 1.138 81 E CA 0.211 56.630 56.400 0.032 0.000 0.915 81 E CB 1.252 30.962 29.700 0.018 0.000 1.028 81 E HN 0.681 nan 8.360 nan 0.000 0.423 82 G N 3.002 111.817 108.800 0.024 0.000 3.365 82 G HA2 0.145 4.106 3.960 0.000 0.000 0.185 82 G HA3 0.145 4.106 3.960 0.000 0.000 0.185 82 G C -0.094 174.811 174.900 0.007 0.000 1.565 82 G CA -0.593 44.512 45.100 0.008 0.000 0.984 82 G HN 0.277 nan 8.290 nan 0.000 0.604 83 R N 1.684 122.192 120.500 0.014 0.000 2.590 83 R HA 0.214 4.555 4.340 0.000 0.000 0.274 83 R C -2.017 174.297 176.300 0.024 0.000 1.061 83 R CA -1.108 55.002 56.100 0.017 0.000 1.081 83 R CB 0.153 30.466 30.300 0.022 0.000 0.984 83 R HN 0.337 nan 8.270 nan 0.000 0.448 84 P HA 0.003 nan 4.420 nan 0.000 0.268 84 P C 0.032 177.359 177.300 0.045 0.000 1.204 84 P CA -0.000 63.119 63.100 0.032 0.000 0.768 84 P CB 0.775 32.499 31.700 0.040 0.000 0.842 85 S N 0.605 116.335 115.700 0.050 0.000 2.641 85 S HA 0.010 4.480 4.470 0.000 0.000 0.261 85 S C 1.449 176.088 174.600 0.066 0.000 1.257 85 S CA -0.347 57.888 58.200 0.058 0.000 0.983 85 S CB 0.430 63.663 63.200 0.056 0.000 0.990 85 S HN 0.604 nan 8.310 nan 0.000 0.572 86 E N 0.713 120.954 120.200 0.068 0.000 2.110 86 E HA -0.110 4.240 4.350 0.000 0.000 0.193 86 E C 1.786 178.422 176.600 0.060 0.000 0.988 86 E CA 1.335 57.776 56.400 0.068 0.000 0.804 86 E CB -0.776 28.970 29.700 0.077 0.000 0.745 86 E HN 0.809 nan 8.360 nan 0.000 0.458 87 G N 0.617 109.456 108.800 0.066 0.000 2.404 87 G HA2 -0.256 3.704 3.960 0.000 0.000 0.215 87 G HA3 -0.256 3.704 3.960 0.000 0.000 0.215 87 G C 1.279 176.241 174.900 0.103 0.000 1.174 87 G CA 0.695 45.836 45.100 0.069 0.000 0.780 87 G HN 0.294 nan 8.290 nan 0.000 0.537 88 E N 0.021 120.309 120.200 0.145 0.000 2.160 88 E HA -0.100 4.250 4.350 0.000 0.000 0.195 88 E C 2.645 179.377 176.600 0.219 0.000 0.991 88 E CA 1.400 57.955 56.400 0.259 0.000 0.810 88 E CB -0.123 29.669 29.700 0.152 0.000 0.742 88 E HN 0.375 nan 8.360 nan 0.000 0.466 89 T N 1.044 115.663 114.554 0.108 0.000 2.904 89 T HA -0.032 4.318 4.350 0.000 0.000 0.267 89 T C 1.932 176.639 174.700 0.013 0.000 1.059 89 T CA 0.517 62.654 62.100 0.061 0.000 1.137 89 T CB -0.016 68.878 68.868 0.042 0.000 0.879 89 T HN 0.070 nan 8.240 nan 0.000 0.467 90 L N 0.044 121.265 121.223 -0.003 0.000 2.044 90 L HA 0.027 4.367 4.340 0.000 0.000 0.205 90 L C 2.270 179.079 176.870 -0.102 0.000 1.075 90 L CA 1.023 55.833 54.840 -0.051 0.000 0.747 90 L CB -0.447 41.588 42.059 -0.040 0.000 0.903 90 L HN 0.185 nan 8.230 nan 0.000 0.435 91 I N 0.008 120.484 120.570 -0.157 0.000 2.394 91 I HA -0.229 3.941 4.170 0.000 0.000 0.251 91 I C 2.674 178.580 176.117 -0.351 0.000 1.136 91 I CA 1.228 62.318 61.300 -0.351 0.000 1.425 91 I CB -0.578 37.004 38.000 -0.698 0.000 1.079 91 I HN 0.142 nan 8.210 nan 0.000 0.425 92 A N 0.326 123.032 122.820 -0.190 0.000 1.940 92 A HA -0.251 4.069 4.320 0.000 0.000 0.219 92 A C 2.498 180.049 177.584 -0.055 0.000 1.176 92 A CA 1.847 53.853 52.037 -0.052 0.000 0.631 92 A CB -0.635 18.405 19.000 0.067 0.000 0.814 92 A HN 0.399 nan 8.150 nan 0.000 0.446 93 R N -1.040 119.418 120.500 -0.070 0.000 2.119 93 R HA 0.025 4.365 4.340 0.000 0.000 0.222 93 R C 1.413 177.670 176.300 -0.070 0.000 1.088 93 R CA 0.845 56.906 56.100 -0.065 0.000 0.984 93 R CB -0.267 29.982 30.300 -0.086 0.000 0.884 93 R HN 0.390 nan 8.270 nan 0.000 0.447 94 L N 0.581 121.743 121.223 -0.101 0.000 2.549 94 L HA -0.037 4.304 4.340 0.000 0.000 0.229 94 L C 1.580 178.403 176.870 -0.079 0.000 1.158 94 L CA 1.221 56.003 54.840 -0.096 0.000 0.842 94 L CB 0.101 42.087 42.059 -0.123 0.000 0.952 94 L HN 0.252 nan 8.230 nan 0.000 0.452 95 I N -2.192 118.334 120.570 -0.074 0.000 3.445 95 I HA -0.022 4.148 4.170 0.000 0.000 0.288 95 I C 1.909 178.036 176.117 0.017 0.000 1.198 95 I CA 0.286 61.565 61.300 -0.036 0.000 1.417 95 I CB -0.029 37.943 38.000 -0.048 0.000 1.205 95 I HN 0.048 nan 8.210 nan 0.000 0.448 96 D N 1.389 121.801 120.400 0.019 0.000 2.123 96 D HA -0.162 4.479 4.640 0.000 0.000 0.200 96 D C 2.241 178.590 176.300 0.082 0.000 0.976 96 D CA 1.359 55.397 54.000 0.062 0.000 0.831 96 D CB 0.151 40.974 40.800 0.038 0.000 0.974 96 D HN 0.035 nan 8.370 nan 0.000 0.469 97 R N -0.075 120.447 120.500 0.037 0.000 2.075 97 R HA -0.021 4.319 4.340 0.000 0.000 0.232 97 R C -0.707 175.618 176.300 0.042 0.000 1.126 97 R CA 1.377 57.496 56.100 0.032 0.000 0.963 97 R CB -0.667 29.626 30.300 -0.012 0.000 0.858 97 R HN 0.288 nan 8.270 nan 0.000 0.435 98 P HA -0.106 nan 4.420 nan 0.000 0.222 98 P C 1.241 178.570 177.300 0.047 0.000 1.153 98 P CA 1.216 64.329 63.100 0.022 0.000 0.798 98 P CB -0.128 31.578 31.700 0.009 0.000 0.796 99 I N -3.576 117.065 120.570 0.118 0.000 3.226 99 I HA 0.166 4.336 4.170 0.000 0.000 0.277 99 I C 2.630 178.909 176.117 0.271 0.000 1.243 99 I CA 0.237 61.653 61.300 0.193 0.000 1.459 99 I CB -0.479 37.703 38.000 0.303 0.000 1.093 99 I HN -0.280 nan 8.210 nan 0.000 0.453 100 R N 1.945 122.624 120.500 0.299 0.000 2.073 100 R HA -0.059 4.282 4.340 0.000 0.000 0.234 100 R C -0.473 175.977 176.300 0.250 0.000 1.134 100 R CA 1.997 58.332 56.100 0.392 0.000 0.952 100 R CB -1.116 29.351 30.300 0.279 0.000 0.850 100 R HN 0.350 nan 8.270 nan 0.000 0.433 101 P HA -0.033 nan 4.420 nan 0.000 0.229 101 P C 0.825 178.069 177.300 -0.094 0.000 1.160 101 P CA 0.826 63.933 63.100 0.011 0.000 0.777 101 P CB 0.081 31.776 31.700 -0.009 0.000 0.814 102 L N -2.279 118.822 121.223 -0.203 0.000 2.217 102 L HA -0.016 4.324 4.340 0.000 0.000 0.211 102 L C 0.902 177.423 176.870 -0.581 0.000 1.107 102 L CA 0.394 54.927 54.840 -0.512 0.000 0.783 102 L CB -0.602 40.911 42.059 -0.910 0.000 0.919 102 L HN -0.100 nan 8.230 nan 0.000 0.442 103 F N 1.278 121.031 119.950 -0.328 0.000 2.529 103 F HA 0.135 4.662 4.527 0.001 0.000 0.365 103 F C -1.382 174.214 175.800 -0.340 0.000 1.102 103 F CA -2.243 55.511 58.000 -0.410 0.000 1.271 103 F CB -0.301 38.315 39.000 -0.640 0.000 1.120 103 F HN -0.121 nan 8.300 nan 0.000 0.579 104 P HA -0.023 nan 4.420 nan 0.000 0.272 104 P C -0.744 176.605 177.300 0.081 0.000 1.223 104 P CA -0.386 62.726 63.100 0.021 0.000 0.784 104 P CB 0.625 32.413 31.700 0.145 0.000 0.923 105 E N 0.534 120.800 120.200 0.109 0.000 2.324 105 E HA 0.306 4.656 4.350 0.000 0.000 0.271 105 E C 0.894 177.639 176.600 0.241 0.000 1.028 105 E CA 0.408 56.885 56.400 0.129 0.000 0.890 105 E CB -0.498 29.261 29.700 0.099 0.000 1.004 105 E HN 0.775 nan 8.360 nan 0.000 0.431 106 G N 4.171 113.121 108.800 0.250 0.000 2.231 106 G HA2 -0.271 3.690 3.960 0.000 0.000 0.206 106 G HA3 -0.271 3.690 3.960 0.000 0.000 0.206 106 G C -0.133 175.039 174.900 0.452 0.000 0.996 106 G CA -0.215 45.095 45.100 0.350 0.000 0.645 106 G HN 0.557 nan 8.290 nan 0.000 0.498 107 F N 2.451 122.465 119.950 0.107 0.000 2.506 107 F HA 0.456 4.983 4.527 0.000 0.000 0.371 107 F C 1.500 177.283 175.800 -0.028 0.000 1.078 107 F CA 0.670 58.526 58.000 -0.241 0.000 1.195 107 F CB 1.437 40.146 39.000 -0.485 0.000 1.099 107 F HN 0.314 nan 8.300 nan 0.000 0.548 108 V N 1.257 120.953 119.914 -0.363 0.000 3.432 108 V HA 0.287 4.407 4.120 0.000 0.000 0.298 108 V C 0.347 176.252 176.094 -0.316 0.000 1.464 108 V CA -0.430 61.765 62.300 -0.176 0.000 1.046 108 V CB -0.643 31.103 31.823 -0.129 0.000 0.887 108 V HN 0.602 nan 8.190 nan 0.000 0.441 109 N N 3.034 121.340 118.700 -0.657 0.000 2.492 109 N HA 0.139 4.879 4.740 0.000 0.000 0.262 109 N C -0.034 175.369 175.510 -0.178 0.000 1.202 109 N CA 0.376 53.170 53.050 -0.425 0.000 0.926 109 N CB 0.916 39.098 38.487 -0.508 0.000 1.078 109 N HN 0.691 nan 8.380 nan 0.000 0.454 110 E N 1.379 121.482 120.200 -0.161 0.000 2.324 110 E HA 0.231 4.581 4.350 0.000 0.000 0.271 110 E C -0.783 175.753 176.600 -0.106 0.000 1.028 110 E CA -0.580 55.710 56.400 -0.183 0.000 0.890 110 E CB 0.482 30.090 29.700 -0.153 0.000 1.004 110 E HN 0.351 nan 8.360 nan 0.000 0.431 111 V N 1.662 121.467 119.914 -0.182 0.000 2.735 111 V HA 0.505 4.625 4.120 0.000 0.000 0.310 111 V C -0.765 175.253 176.094 -0.126 0.000 1.061 111 V CA -1.018 61.213 62.300 -0.114 0.000 0.913 111 V CB 1.617 33.390 31.823 -0.084 0.000 1.005 111 V HN 0.759 nan 8.190 nan 0.000 0.428 112 Q N 2.233 121.991 119.800 -0.070 0.000 2.337 112 Q HA 0.730 5.071 4.340 0.000 0.000 0.270 112 Q C -1.952 174.024 176.000 -0.039 0.000 1.043 112 Q CA -0.657 55.113 55.803 -0.054 0.000 0.794 112 Q CB 2.555 31.268 28.738 -0.041 0.000 1.281 112 Q HN 0.818 nan 8.270 nan 0.000 0.446 113 V N 6.045 125.943 119.914 -0.027 0.000 2.334 113 V HA 0.442 4.563 4.120 0.000 0.000 0.281 113 V C -0.367 175.720 176.094 -0.012 0.000 1.016 113 V CA -0.489 61.795 62.300 -0.027 0.000 0.832 113 V CB 1.249 33.065 31.823 -0.012 0.000 0.999 113 V HN 0.697 nan 8.190 nan 0.000 0.439 114 I N 4.521 125.075 120.570 -0.026 0.000 2.354 114 I HA 0.661 4.832 4.170 0.000 0.000 0.286 114 I C 0.427 176.538 176.117 -0.010 0.000 1.007 114 I CA -0.355 60.943 61.300 -0.004 0.000 1.167 114 I CB 1.569 39.570 38.000 0.002 0.000 1.320 114 I HN 0.637 nan 8.210 nan 0.000 0.458 115 A N 4.572 127.415 122.820 0.039 0.000 2.260 115 A HA 0.732 5.052 4.320 0.000 0.000 0.314 115 A C 0.083 177.664 177.584 -0.004 0.000 1.257 115 A CA -0.447 51.629 52.037 0.065 0.000 0.871 115 A CB 0.479 19.614 19.000 0.225 0.000 1.166 115 A HN 0.675 nan 8.150 nan 0.000 0.522 116 T N 0.086 114.649 114.554 0.016 0.000 2.815 116 T HA 0.524 4.874 4.350 0.000 0.000 0.289 116 T C -0.441 174.240 174.700 -0.032 0.000 1.000 116 T CA -0.599 61.483 62.100 -0.029 0.000 0.958 116 T CB 0.932 69.850 68.868 0.083 0.000 0.944 116 T HN 0.379 nan 8.240 nan 0.000 0.442 117 V N 4.622 124.438 119.914 -0.163 0.000 2.439 117 V HA 0.165 4.285 4.120 0.000 0.000 0.271 117 V C 1.099 177.085 176.094 -0.181 0.000 1.040 117 V CA -0.051 62.171 62.300 -0.131 0.000 1.002 117 V CB 0.968 32.689 31.823 -0.170 0.000 1.000 117 V HN 0.890 nan 8.190 nan 0.000 0.477 118 V N 4.248 124.100 119.914 -0.102 0.000 3.455 118 V HA 0.268 4.389 4.120 0.000 0.000 0.250 118 V C 0.716 176.756 176.094 -0.090 0.000 1.230 118 V CA 1.177 63.407 62.300 -0.116 0.000 1.105 118 V CB 1.186 33.032 31.823 0.037 0.000 0.850 118 V HN 0.939 nan 8.190 nan 0.000 0.461 119 S N -0.944 114.727 115.700 -0.049 0.000 2.536 119 S HA 0.740 5.211 4.470 0.000 0.000 0.271 119 S C -1.338 173.246 174.600 -0.027 0.000 1.134 119 S CA -0.480 57.705 58.200 -0.025 0.000 0.897 119 S CB 1.914 65.122 63.200 0.013 0.000 1.094 119 S HN 0.285 nan 8.310 nan 0.000 0.473 120 V N 1.663 121.562 119.914 -0.025 0.000 2.888 120 V HA 0.705 4.825 4.120 0.000 0.000 0.309 120 V C -1.679 174.407 176.094 -0.013 0.000 1.114 120 V CA -0.662 61.626 62.300 -0.021 0.000 0.940 120 V CB 2.267 34.075 31.823 -0.026 0.000 1.021 120 V HN 1.088 nan 8.190 nan 0.000 0.426 121 N N 5.915 124.605 118.700 -0.017 0.000 2.424 121 N HA 0.582 5.323 4.740 0.000 0.000 0.271 121 N C -2.014 173.489 175.510 -0.012 0.000 0.985 121 N CA -1.919 51.123 53.050 -0.012 0.000 0.921 121 N CB 2.511 40.987 38.487 -0.018 0.000 1.149 121 N HN 0.296 nan 8.380 nan 0.000 0.492 122 P HA -0.194 nan 4.420 nan 0.000 0.219 122 P C 0.683 177.986 177.300 0.005 0.000 1.144 122 P CA 1.258 64.361 63.100 0.004 0.000 0.806 122 P CB 0.330 32.036 31.700 0.009 0.000 0.771 123 Q N -1.160 118.643 119.800 0.004 0.000 2.123 123 Q HA 0.041 4.381 4.340 0.000 0.000 0.196 123 Q C 0.641 176.631 176.000 -0.017 0.000 0.958 123 Q CA 0.814 56.623 55.803 0.010 0.000 0.841 123 Q CB -0.367 28.393 28.738 0.037 0.000 0.915 123 Q HN 0.168 nan 8.270 nan 0.000 0.455 124 V N 3.026 122.901 119.914 -0.065 0.000 2.383 124 V HA 0.169 4.290 4.120 0.000 0.000 0.275 124 V C 0.233 176.294 176.094 -0.054 0.000 1.036 124 V CA -0.815 61.415 62.300 -0.117 0.000 0.889 124 V CB 1.232 32.907 31.823 -0.247 0.000 0.985 124 V HN 0.179 nan 8.190 nan 0.000 0.459 125 N N 7.323 126.005 118.700 -0.030 0.000 2.470 125 N HA 0.204 4.944 4.740 0.000 0.000 0.268 125 N C -1.558 173.955 175.510 0.005 0.000 1.136 125 N CA -1.517 51.532 53.050 -0.002 0.000 0.961 125 N CB 1.992 40.483 38.487 0.007 0.000 1.067 125 N HN 0.376 nan 8.380 nan 0.000 0.468 126 P HA -0.026 nan 4.420 nan 0.000 0.247 126 P C 0.301 177.640 177.300 0.064 0.000 1.225 126 P CA 0.364 63.501 63.100 0.063 0.000 0.768 126 P CB 0.278 32.042 31.700 0.107 0.000 1.020 127 D N 0.536 120.938 120.400 0.003 0.000 2.103 127 D HA -0.132 4.508 4.640 0.000 0.000 0.199 127 D C 1.836 178.095 176.300 -0.068 0.000 0.978 127 D CA 0.875 54.822 54.000 -0.088 0.000 0.829 127 D CB -1.190 39.549 40.800 -0.101 0.000 0.981 127 D HN 0.217 nan 8.370 nan 0.000 0.464 128 I N 0.476 121.034 120.570 -0.020 0.000 2.928 128 I HA -0.107 4.063 4.170 0.000 0.000 0.266 128 I C 2.067 178.186 176.117 0.004 0.000 1.234 128 I CA 0.165 61.465 61.300 0.000 0.000 1.483 128 I CB 0.236 38.263 38.000 0.046 0.000 1.097 128 I HN -0.097 nan 8.210 nan 0.000 0.455 129 V N 0.940 120.859 119.914 0.009 0.000 2.453 129 V HA -0.171 3.949 4.120 0.000 0.000 0.247 129 V C 2.677 178.778 176.094 0.012 0.000 1.048 129 V CA 1.767 64.073 62.300 0.010 0.000 1.049 129 V CB -0.887 30.945 31.823 0.015 0.000 0.672 129 V HN 0.466 nan 8.190 nan 0.000 0.457 130 A N -0.522 122.312 122.820 0.024 0.000 1.968 130 A HA -0.105 4.216 4.320 0.000 0.000 0.217 130 A C 2.217 179.792 177.584 -0.015 0.000 1.169 130 A CA 1.626 53.684 52.037 0.036 0.000 0.638 130 A CB -0.421 18.637 19.000 0.098 0.000 0.812 130 A HN 0.484 nan 8.150 nan 0.000 0.446 131 M N -0.741 118.836 119.600 -0.037 0.000 2.175 131 M HA -0.011 4.470 4.480 0.000 0.000 0.264 131 M C 1.849 178.126 176.300 -0.039 0.000 1.063 131 M CA 1.345 56.620 55.300 -0.042 0.000 1.119 131 M CB -0.370 32.205 32.600 -0.041 0.000 1.377 131 M HN 0.373 nan 8.290 nan 0.000 0.415 132 I N -0.453 120.096 120.570 -0.036 0.000 2.439 132 I HA -0.106 4.065 4.170 0.000 0.000 0.251 132 I C 2.552 178.639 176.117 -0.049 0.000 1.139 132 I CA 0.987 62.261 61.300 -0.042 0.000 1.438 132 I CB -0.843 37.137 38.000 -0.035 0.000 1.085 132 I HN 0.334 nan 8.210 nan 0.000 0.427 133 G N 0.824 109.598 108.800 -0.043 0.000 2.440 133 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 133 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 133 G C 1.830 176.669 174.900 -0.102 0.000 1.154 133 G CA 0.889 45.952 45.100 -0.061 0.000 0.767 133 G HN 0.485 nan 8.290 nan 0.000 0.552 134 A N 0.152 122.915 122.820 -0.095 0.000 1.970 134 A HA 0.154 4.474 4.320 0.000 0.000 0.216 134 A C 2.570 180.034 177.584 -0.200 0.000 1.170 134 A CA 1.930 53.887 52.037 -0.134 0.000 0.645 134 A CB -0.571 18.376 19.000 -0.088 0.000 0.816 134 A HN 0.391 nan 8.150 nan 0.000 0.447 135 S N -0.141 115.471 115.700 -0.147 0.000 2.368 135 S HA -0.048 4.422 4.470 0.000 0.000 0.225 135 S C 2.147 176.634 174.600 -0.188 0.000 1.030 135 S CA 1.599 59.708 58.200 -0.151 0.000 0.999 135 S CB -0.381 62.782 63.200 -0.062 0.000 0.844 135 S HN 0.763 nan 8.310 nan 0.000 0.459 136 A N 0.836 123.570 122.820 -0.142 0.000 1.968 136 A HA 0.381 4.702 4.320 0.000 0.000 0.217 136 A C 2.359 179.844 177.584 -0.166 0.000 1.169 136 A CA 1.501 53.462 52.037 -0.127 0.000 0.638 136 A CB -1.063 17.890 19.000 -0.077 0.000 0.812 136 A HN 0.686 nan 8.150 nan 0.000 0.446 137 A N -0.268 122.434 122.820 -0.196 0.000 1.897 137 A HA 0.063 4.383 4.320 0.000 0.000 0.215 137 A C 2.069 179.486 177.584 -0.277 0.000 1.181 137 A CA 1.300 53.211 52.037 -0.211 0.000 0.620 137 A CB -0.500 18.375 19.000 -0.208 0.000 0.821 137 A HN 0.434 nan 8.150 nan 0.000 0.443 138 L N -0.373 120.597 121.223 -0.421 0.000 2.217 138 L HA -0.078 4.263 4.340 0.000 0.000 0.211 138 L C 2.533 179.064 176.870 -0.565 0.000 1.107 138 L CA 1.108 55.563 54.840 -0.642 0.000 0.783 138 L CB -0.101 41.210 42.059 -1.247 0.000 0.919 138 L HN 0.286 nan 8.230 nan 0.000 0.442 139 S N -0.427 115.036 115.700 -0.396 0.000 2.446 139 S HA 0.057 4.527 4.470 0.000 0.000 0.225 139 S C 1.742 176.263 174.600 -0.131 0.000 1.016 139 S CA 0.701 58.788 58.200 -0.189 0.000 0.943 139 S CB 0.066 63.202 63.200 -0.107 0.000 0.786 139 S HN 0.302 nan 8.310 nan 0.000 0.508 140 L N 1.501 122.639 121.223 -0.141 0.000 2.585 140 L HA 0.112 4.452 4.340 0.000 0.000 0.226 140 L C 2.313 179.131 176.870 -0.087 0.000 1.113 140 L CA 0.323 55.109 54.840 -0.089 0.000 0.876 140 L CB -0.230 41.785 42.059 -0.074 0.000 1.072 140 L HN 0.342 nan 8.230 nan 0.000 0.468 141 S N -0.603 115.009 115.700 -0.146 0.000 2.371 141 S HA 0.043 4.513 4.470 0.000 0.000 0.224 141 S C 1.737 176.246 174.600 -0.151 0.000 1.029 141 S CA 0.967 59.074 58.200 -0.155 0.000 0.978 141 S CB 0.102 63.157 63.200 -0.242 0.000 0.833 141 S HN 0.457 nan 8.310 nan 0.000 0.466 142 G N 0.736 109.423 108.800 -0.189 0.000 2.307 142 G HA2 -0.181 3.779 3.960 0.000 0.000 0.210 142 G HA3 -0.181 3.779 3.960 0.000 0.000 0.210 142 G C -0.023 174.660 174.900 -0.362 0.000 1.005 142 G CA -0.220 44.806 45.100 -0.123 0.000 0.634 142 G HN 0.502 nan 8.290 nan 0.000 0.496 143 I N 3.939 124.038 120.570 -0.785 0.000 2.821 143 I HA 0.227 4.397 4.170 0.000 0.000 0.294 143 I C -1.624 174.292 176.117 -0.335 0.000 1.210 143 I CA -1.094 59.720 61.300 -0.811 0.000 1.430 143 I CB 0.351 37.903 38.000 -0.747 0.000 1.356 143 I HN -0.055 nan 8.210 nan 0.000 0.563 144 P HA -0.097 nan 4.420 nan 0.000 0.251 144 P C -0.905 176.292 177.300 -0.172 0.000 1.154 144 P CA 0.691 63.706 63.100 -0.142 0.000 0.805 144 P CB -0.174 31.428 31.700 -0.164 0.000 0.759 145 F N 3.783 123.545 119.950 -0.314 0.000 2.745 145 F HA 0.283 4.811 4.527 0.001 0.000 0.343 145 F C -0.113 175.526 175.800 -0.270 0.000 1.196 145 F CA -0.902 56.852 58.000 -0.411 0.000 1.021 145 F CB 0.952 39.694 39.000 -0.429 0.000 1.297 145 F HN 0.036 nan 8.300 nan 0.000 0.486 146 N N 4.886 123.256 118.700 -0.550 0.000 2.744 146 N HA 0.357 5.097 4.740 0.000 0.000 0.290 146 N C 0.349 175.628 175.510 -0.385 0.000 1.206 146 N CA 0.767 53.597 53.050 -0.366 0.000 1.119 146 N CB 0.246 38.550 38.487 -0.304 0.000 1.449 146 N HN 0.965 nan 8.380 nan 0.000 0.514 147 G N 1.839 110.506 108.800 -0.221 0.000 2.767 147 G HA2 -0.180 3.780 3.960 0.000 0.000 0.686 147 G HA3 -0.180 3.780 3.960 0.000 0.000 0.686 147 G C -3.002 171.850 174.900 -0.081 0.000 1.213 147 G CA -1.164 43.857 45.100 -0.133 0.000 0.803 147 G HN 0.255 nan 8.290 nan 0.000 0.603 148 P HA 0.537 nan 4.420 nan 0.000 0.272 148 P C 0.165 177.491 177.300 0.044 0.000 1.240 148 P CA -0.565 62.604 63.100 0.115 0.000 0.791 148 P CB 0.771 32.478 31.700 0.012 0.000 0.978 149 I N 0.036 120.652 120.570 0.078 0.000 2.474 149 I HA 0.629 4.800 4.170 0.000 0.000 0.294 149 I C 0.120 176.226 176.117 -0.018 0.000 1.005 149 I CA -0.517 60.795 61.300 0.021 0.000 1.113 149 I CB 1.501 39.533 38.000 0.054 0.000 1.289 149 I HN 0.352 nan 8.210 nan 0.000 0.436 150 G N 4.974 113.753 108.800 -0.036 0.000 2.412 150 G HA2 0.746 4.706 3.960 0.000 0.000 0.318 150 G HA3 0.746 4.706 3.960 0.000 0.000 0.318 150 G C -1.397 173.487 174.900 -0.026 0.000 1.146 150 G CA -0.517 44.548 45.100 -0.059 0.000 0.882 150 G HN 0.844 nan 8.290 nan 0.000 0.501 151 A N -0.231 122.573 122.820 -0.027 0.000 2.374 151 A HA 0.916 5.236 4.320 0.000 0.000 0.305 151 A C -0.265 177.370 177.584 0.085 0.000 1.053 151 A CA -0.098 51.947 52.037 0.014 0.000 0.726 151 A CB 1.620 20.620 19.000 0.000 0.000 1.229 151 A HN 2.083 nan 8.150 nan 0.000 0.431 152 A N 1.988 124.869 122.820 0.102 0.000 2.520 152 A HA 0.814 5.134 4.320 0.000 0.000 0.298 152 A C -0.580 177.068 177.584 0.106 0.000 1.051 152 A CA -0.599 51.532 52.037 0.156 0.000 0.690 152 A CB 1.274 20.353 19.000 0.132 0.000 1.281 152 A HN 1.002 nan 8.150 nan 0.000 0.402 153 R N 1.587 122.155 120.500 0.114 0.000 2.445 153 R HA 0.687 5.027 4.340 0.000 0.000 0.308 153 R C -1.668 174.711 176.300 0.132 0.000 0.961 153 R CA -0.305 55.854 56.100 0.098 0.000 0.862 153 R CB 1.479 31.828 30.300 0.081 0.000 1.144 153 R HN 0.511 nan 8.270 nan 0.000 0.447 154 V N 3.731 123.736 119.914 0.152 0.000 2.495 154 V HA 0.612 4.732 4.120 0.000 0.000 0.298 154 V C 0.602 176.815 176.094 0.199 0.000 1.031 154 V CA -0.603 61.834 62.300 0.229 0.000 0.871 154 V CB 1.625 33.616 31.823 0.280 0.000 0.988 154 V HN 0.986 nan 8.190 nan 0.000 0.432 155 G N 1.927 110.850 108.800 0.205 0.000 2.705 155 G HA2 0.579 4.539 3.960 0.000 0.000 0.299 155 G HA3 0.579 4.539 3.960 0.000 0.000 0.299 155 G C -1.813 173.233 174.900 0.244 0.000 1.315 155 G CA -0.457 44.749 45.100 0.177 0.000 1.045 155 G HN 0.586 nan 8.290 nan 0.000 0.517 156 Y N 0.184 120.490 120.300 0.011 0.000 2.484 156 Y HA 0.477 5.028 4.550 0.000 0.000 0.348 156 Y C -0.663 175.189 175.900 -0.079 0.000 1.103 156 Y CA -0.739 57.323 58.100 -0.062 0.000 1.317 156 Y CB 0.626 39.058 38.460 -0.048 0.000 1.096 156 Y HN 0.328 nan 8.280 nan 0.000 0.568 157 I N 4.259 124.673 120.570 -0.260 0.000 2.377 157 I HA 0.266 4.436 4.170 0.000 0.000 0.293 157 I C -0.079 175.844 176.117 -0.324 0.000 0.987 157 I CA -1.027 60.150 61.300 -0.204 0.000 1.185 157 I CB 1.247 39.177 38.000 -0.117 0.000 1.341 157 I HN 0.514 nan 8.210 nan 0.000 0.455 158 N N 4.913 123.470 118.700 -0.237 0.000 2.689 158 N HA -0.226 4.514 4.740 0.000 0.000 0.263 158 N C -0.577 174.721 175.510 -0.353 0.000 0.987 158 N CA 1.028 53.943 53.050 -0.226 0.000 0.782 158 N CB -1.027 37.370 38.487 -0.150 0.000 0.903 158 N HN 0.699 nan 8.380 nan 0.000 0.547 159 D N -1.406 118.654 120.400 -0.567 0.000 2.723 159 D HA -0.219 4.421 4.640 0.000 0.000 0.236 159 D C -0.049 175.759 176.300 -0.821 0.000 1.138 159 D CA 1.309 54.877 54.000 -0.721 0.000 0.676 159 D CB -0.761 39.885 40.800 -0.256 0.000 1.069 159 D HN 0.710 nan 8.370 nan 0.000 0.430 160 Q N -0.664 118.496 119.800 -1.065 0.000 2.320 160 Q HA 0.403 4.743 4.340 0.000 0.000 0.272 160 Q C -1.535 174.009 176.000 -0.760 0.000 1.023 160 Q CA -0.649 54.686 55.803 -0.780 0.000 0.855 160 Q CB 1.138 29.624 28.738 -0.420 0.000 1.367 160 Q HN 0.138 nan 8.270 nan 0.000 0.406 161 Y N 1.347 121.381 120.300 -0.444 0.000 2.377 161 Y HA 0.531 5.081 4.550 0.000 0.000 0.330 161 Y C -0.048 175.607 175.900 -0.409 0.000 1.108 161 Y CA -0.534 57.278 58.100 -0.480 0.000 1.308 161 Y CB 0.999 38.884 38.460 -0.959 0.000 1.216 161 Y HN 0.278 nan 8.280 nan 0.000 0.518 162 V N 5.191 125.111 119.914 0.009 0.000 2.531 162 V HA 0.208 4.328 4.120 0.000 0.000 0.301 162 V C -0.615 175.622 176.094 0.238 0.000 1.034 162 V CA -0.961 61.398 62.300 0.098 0.000 0.865 162 V CB 1.783 33.625 31.823 0.032 0.000 0.995 162 V HN 0.537 nan 8.190 nan 0.000 0.424 163 L N 5.882 127.283 121.223 0.297 0.000 2.361 163 L HA 0.456 4.797 4.340 0.000 0.000 0.278 163 L C 0.584 177.495 176.870 0.068 0.000 1.113 163 L CA 0.650 55.608 54.840 0.196 0.000 0.849 163 L CB -0.229 41.857 42.059 0.045 0.000 1.155 163 L HN 0.791 nan 8.230 nan 0.000 0.452 164 N N 3.653 122.398 118.700 0.076 0.000 2.573 164 N HA -0.141 4.600 4.740 0.000 0.000 0.280 164 N C -2.454 173.111 175.510 0.092 0.000 1.187 164 N CA 0.306 53.401 53.050 0.075 0.000 0.717 164 N CB -0.922 37.602 38.487 0.061 0.000 0.899 164 N HN 0.446 nan 8.380 nan 0.000 0.546 165 P HA 0.161 nan 4.420 nan 0.000 0.280 165 P C 0.475 177.818 177.300 0.071 0.000 1.244 165 P CA -0.216 62.929 63.100 0.074 0.000 0.784 165 P CB 0.668 32.408 31.700 0.066 0.000 0.913 166 T N -0.707 113.892 114.554 0.075 0.000 2.754 166 T HA 0.052 4.402 4.350 0.000 0.000 0.286 166 T C 1.304 176.030 174.700 0.043 0.000 0.997 166 T CA -0.168 61.970 62.100 0.064 0.000 0.982 166 T CB 0.449 69.364 68.868 0.078 0.000 1.027 166 T HN 0.236 nan 8.240 nan 0.000 0.529 167 Q N 0.345 120.166 119.800 0.034 0.000 2.096 167 Q HA -0.160 4.180 4.340 0.000 0.000 0.204 167 Q C 1.634 177.650 176.000 0.027 0.000 0.982 167 Q CA 2.175 57.995 55.803 0.028 0.000 0.850 167 Q CB -0.639 28.113 28.738 0.023 0.000 0.901 167 Q HN 0.760 nan 8.270 nan 0.000 0.422 168 D N -0.472 119.945 120.400 0.027 0.000 2.234 168 D HA -0.091 4.549 4.640 0.000 0.000 0.205 168 D C 1.262 177.575 176.300 0.022 0.000 0.962 168 D CA 0.865 54.878 54.000 0.023 0.000 0.855 168 D CB 0.041 40.854 40.800 0.021 0.000 0.951 168 D HN 0.509 nan 8.370 nan 0.000 0.500 169 E N 0.081 120.297 120.200 0.027 0.000 2.299 169 E HA 0.032 4.382 4.350 0.000 0.000 0.193 169 E C 2.007 178.624 176.600 0.027 0.000 0.998 169 E CA -0.105 56.310 56.400 0.024 0.000 0.851 169 E CB 0.224 29.942 29.700 0.030 0.000 0.795 169 E HN 0.147 nan 8.360 nan 0.000 0.492 170 L N 1.273 122.515 121.223 0.033 0.000 2.291 170 L HA -0.093 4.247 4.340 0.000 0.000 0.214 170 L C 2.313 179.202 176.870 0.031 0.000 1.120 170 L CA 0.975 55.837 54.840 0.036 0.000 0.799 170 L CB 0.053 42.134 42.059 0.037 0.000 0.925 170 L HN -0.047 nan 8.230 nan 0.000 0.446 171 K N -0.465 119.950 120.400 0.025 0.000 2.097 171 K HA -0.179 4.141 4.320 0.000 0.000 0.206 171 K C 1.721 178.333 176.600 0.019 0.000 1.049 171 K CA 1.284 57.584 56.287 0.022 0.000 0.933 171 K CB 0.163 32.674 32.500 0.018 0.000 0.717 171 K HN 0.284 nan 8.250 nan 0.000 0.442 172 E N 0.482 120.692 120.200 0.016 0.000 2.299 172 E HA -0.026 4.324 4.350 0.000 0.000 0.193 172 E C 0.620 177.231 176.600 0.019 0.000 0.998 172 E CA 0.170 56.577 56.400 0.011 0.000 0.851 172 E CB 0.120 29.820 29.700 -0.000 0.000 0.795 172 E HN 0.084 nan 8.360 nan 0.000 0.492 173 S N 0.456 116.175 115.700 0.032 0.000 2.576 173 S HA 0.049 4.519 4.470 0.000 0.000 0.276 173 S C 1.114 175.756 174.600 0.070 0.000 1.339 173 S CA -0.239 57.995 58.200 0.058 0.000 1.039 173 S CB 1.155 64.396 63.200 0.068 0.000 0.902 173 S HN -0.110 nan 8.310 nan 0.000 0.516 174 K N 2.229 122.697 120.400 0.114 0.000 2.276 174 K HA 0.285 4.605 4.320 0.000 0.000 0.198 174 K C 0.224 176.851 176.600 0.045 0.000 1.052 174 K CA 0.033 56.368 56.287 0.080 0.000 0.984 174 K CB -0.209 32.353 32.500 0.104 0.000 0.836 174 K HN 0.592 nan 8.250 nan 0.000 0.490 175 L N 1.593 122.864 121.223 0.080 0.000 2.346 175 L HA 0.532 4.872 4.340 0.000 0.000 0.276 175 L C -1.434 175.480 176.870 0.072 0.000 1.006 175 L CA -0.526 54.339 54.840 0.041 0.000 0.817 175 L CB 2.034 44.090 42.059 -0.005 0.000 1.272 175 L HN -0.062 nan 8.230 nan 0.000 0.421 176 D N 4.392 124.816 120.400 0.041 0.000 2.460 176 D HA 0.226 4.866 4.640 0.000 0.000 0.268 176 D C -1.345 174.975 176.300 0.034 0.000 1.153 176 D CA -0.271 53.755 54.000 0.045 0.000 0.929 176 D CB 0.473 41.290 40.800 0.028 0.000 1.015 176 D HN 0.434 nan 8.370 nan 0.000 0.502 177 L N 3.926 125.184 121.223 0.058 0.000 2.265 177 L HA 0.462 4.802 4.340 0.000 0.000 0.288 177 L C -1.216 175.679 176.870 0.043 0.000 1.058 177 L CA -0.400 54.465 54.840 0.043 0.000 0.809 177 L CB 1.373 43.471 42.059 0.065 0.000 1.179 177 L HN 0.069 nan 8.230 nan 0.000 0.429 178 V N 6.201 126.123 119.914 0.013 0.000 2.409 178 V HA 0.570 4.691 4.120 0.000 0.000 0.291 178 V C -0.438 175.655 176.094 -0.002 0.000 1.020 178 V CA -0.639 61.667 62.300 0.010 0.000 0.848 178 V CB 1.642 33.460 31.823 -0.009 0.000 0.990 178 V HN 0.582 nan 8.190 nan 0.000 0.430 179 V N 4.505 124.428 119.914 0.015 0.000 2.656 179 V HA 0.968 5.088 4.120 0.000 0.000 0.307 179 V C -0.247 175.859 176.094 0.021 0.000 1.051 179 V CA -0.132 62.175 62.300 0.012 0.000 0.893 179 V CB 1.981 33.822 31.823 0.030 0.000 0.999 179 V HN 1.107 nan 8.190 nan 0.000 0.426 180 A N 4.135 126.961 122.820 0.010 0.000 2.414 180 A HA 1.051 5.372 4.320 0.000 0.000 0.306 180 A C -0.153 177.449 177.584 0.030 0.000 1.054 180 A CA 0.010 52.056 52.037 0.015 0.000 0.724 180 A CB 1.927 20.924 19.000 -0.004 0.000 1.267 180 A HN 1.964 nan 8.150 nan 0.000 0.418 181 G N -0.460 108.370 108.800 0.050 0.000 2.519 181 G HA2 0.544 4.504 3.960 0.000 0.000 0.292 181 G HA3 0.544 4.504 3.960 0.000 0.000 0.292 181 G C -0.466 174.462 174.900 0.047 0.000 1.507 181 G CA 0.308 45.449 45.100 0.069 0.000 0.806 181 G HN 0.978 nan 8.290 nan 0.000 0.523 182 T N -1.208 113.357 114.554 0.018 0.000 2.729 182 T HA 0.226 4.576 4.350 0.000 0.000 0.298 182 T C 1.548 176.249 174.700 0.003 0.000 1.013 182 T CA 0.719 62.804 62.100 -0.026 0.000 0.957 182 T CB 1.022 69.838 68.868 -0.087 0.000 1.130 182 T HN 0.644 nan 8.240 nan 0.000 0.526 183 E N -0.358 119.816 120.200 -0.043 0.000 2.110 183 E HA -0.114 4.236 4.350 0.000 0.000 0.193 183 E C 1.986 178.585 176.600 -0.002 0.000 0.988 183 E CA 1.220 57.587 56.400 -0.055 0.000 0.804 183 E CB -0.347 29.313 29.700 -0.067 0.000 0.745 183 E HN 0.641 nan 8.360 nan 0.000 0.458 184 A N 0.679 123.507 122.820 0.013 0.000 1.855 184 A HA 0.377 4.698 4.320 0.000 0.000 0.213 184 A C 1.111 178.742 177.584 0.078 0.000 1.195 184 A CA 1.123 53.175 52.037 0.025 0.000 0.610 184 A CB -0.058 18.933 19.000 -0.017 0.000 0.837 184 A HN 0.354 nan 8.150 nan 0.000 0.444 185 A N -2.107 120.757 122.820 0.072 0.000 2.583 185 A HA 0.592 4.912 4.320 0.000 0.000 0.289 185 A C -0.588 176.959 177.584 -0.062 0.000 1.151 185 A CA -0.353 51.661 52.037 -0.038 0.000 0.695 185 A CB 0.305 19.251 19.000 -0.089 0.000 1.290 185 A HN 0.489 nan 8.150 nan 0.000 0.419 186 V N 0.300 120.045 119.914 -0.281 0.000 2.924 186 V HA 0.290 4.410 4.120 0.000 0.000 0.305 186 V C 0.799 176.839 176.094 -0.090 0.000 1.073 186 V CA 0.373 62.564 62.300 -0.182 0.000 1.098 186 V CB 0.930 32.604 31.823 -0.248 0.000 1.000 186 V HN 0.793 nan 8.190 nan 0.000 0.484 187 L N 2.124 123.314 121.223 -0.055 0.000 2.815 187 L HA 0.499 4.839 4.340 0.000 0.000 0.241 187 L C 0.532 177.370 176.870 -0.053 0.000 1.047 187 L CA 0.710 55.518 54.840 -0.052 0.000 0.939 187 L CB 0.519 42.549 42.059 -0.048 0.000 1.490 187 L HN 0.683 nan 8.230 nan 0.000 0.510 188 M N 0.453 120.023 119.600 -0.050 0.000 2.378 188 M HA 0.759 5.240 4.480 0.000 0.000 0.289 188 M C -1.684 174.573 176.300 -0.071 0.000 1.136 188 M CA -0.515 54.748 55.300 -0.062 0.000 0.917 188 M CB 1.750 34.323 32.600 -0.045 0.000 1.669 188 M HN -0.211 nan 8.290 nan 0.000 0.461 189 V N 1.741 121.592 119.914 -0.105 0.000 2.638 189 V HA 0.899 5.019 4.120 0.000 0.000 0.306 189 V C -0.925 175.099 176.094 -0.117 0.000 1.052 189 V CA -0.703 61.532 62.300 -0.109 0.000 0.885 189 V CB 1.899 33.633 31.823 -0.148 0.000 0.999 189 V HN 1.111 nan 8.190 nan 0.000 0.424 190 E N 3.087 123.234 120.200 -0.088 0.000 2.281 190 E HA 0.716 5.066 4.350 0.000 0.000 0.266 190 E C -0.920 175.641 176.600 -0.064 0.000 0.893 190 E CA -0.183 56.166 56.400 -0.085 0.000 0.798 190 E CB 1.985 31.637 29.700 -0.079 0.000 1.245 190 E HN 0.871 nan 8.360 nan 0.000 0.410 191 S N 2.785 118.444 115.700 -0.068 0.000 2.570 191 S HA 0.782 5.253 4.470 0.000 0.000 0.270 191 S C -1.103 173.466 174.600 -0.050 0.000 1.149 191 S CA -1.093 57.078 58.200 -0.048 0.000 0.837 191 S CB 1.445 64.620 63.200 -0.041 0.000 1.124 191 S HN 0.475 nan 8.310 nan 0.000 0.465 192 E N 0.425 120.604 120.200 -0.036 0.000 2.314 192 E HA 0.813 5.163 4.350 0.000 0.000 0.272 192 E C -0.868 175.712 176.600 -0.033 0.000 0.884 192 E CA -1.473 54.904 56.400 -0.039 0.000 0.753 192 E CB 2.024 31.703 29.700 -0.035 0.000 1.213 192 E HN 1.039 nan 8.360 nan 0.000 0.432 193 A N 2.071 124.865 122.820 -0.045 0.000 2.602 193 A HA 0.305 4.625 4.320 0.000 0.000 0.290 193 A C 0.086 177.637 177.584 -0.054 0.000 1.114 193 A CA -0.598 51.409 52.037 -0.050 0.000 0.683 193 A CB 1.761 20.716 19.000 -0.076 0.000 1.281 193 A HN 0.701 nan 8.150 nan 0.000 0.416 194 Q N -1.098 118.670 119.800 -0.054 0.000 1.911 194 Q HA 0.268 4.609 4.340 0.000 0.000 0.202 194 Q C -0.821 175.146 176.000 -0.055 0.000 0.976 194 Q CA 1.230 57.003 55.803 -0.050 0.000 0.845 194 Q CB -0.039 28.678 28.738 -0.035 0.000 0.903 194 Q HN 0.493 nan 8.270 nan 0.000 0.437 195 L N 0.709 121.895 121.223 -0.061 0.000 2.666 195 L HA 0.371 4.711 4.340 0.000 0.000 0.258 195 L C -1.448 175.377 176.870 -0.075 0.000 0.991 195 L CA 0.226 55.032 54.840 -0.057 0.000 0.916 195 L CB 1.488 43.523 42.059 -0.040 0.000 1.199 195 L HN 0.072 nan 8.230 nan 0.000 0.439 196 L N 0.133 121.299 121.223 -0.095 0.000 2.323 196 L HA 0.681 5.021 4.340 0.000 0.000 0.265 196 L C 0.352 177.178 176.870 -0.074 0.000 1.012 196 L CA -0.737 54.026 54.840 -0.128 0.000 0.820 196 L CB 2.364 44.276 42.059 -0.245 0.000 1.334 196 L HN 0.387 nan 8.230 nan 0.000 0.427 197 S N -0.144 115.522 115.700 -0.057 0.000 2.608 197 S HA 0.063 4.534 4.470 0.000 0.000 0.261 197 S C 0.968 175.564 174.600 -0.006 0.000 1.314 197 S CA -0.525 57.663 58.200 -0.019 0.000 0.992 197 S CB 0.961 64.159 63.200 -0.002 0.000 0.935 197 S HN 0.621 nan 8.310 nan 0.000 0.564 198 E N 0.726 120.932 120.200 0.009 0.000 2.150 198 E HA -0.158 4.192 4.350 0.000 0.000 0.193 198 E C 0.858 177.478 176.600 0.033 0.000 0.985 198 E CA 0.965 57.379 56.400 0.022 0.000 0.814 198 E CB -0.017 29.695 29.700 0.019 0.000 0.752 198 E HN 0.499 nan 8.360 nan 0.000 0.466 199 D N 0.519 120.941 120.400 0.037 0.000 2.183 199 D HA -0.100 4.540 4.640 0.000 0.000 0.203 199 D C 1.826 178.180 176.300 0.091 0.000 0.969 199 D CA 0.839 54.873 54.000 0.056 0.000 0.842 199 D CB 0.017 40.850 40.800 0.055 0.000 0.957 199 D HN 0.252 nan 8.370 nan 0.000 0.484 200 Q N -0.374 119.474 119.800 0.079 0.000 2.137 200 Q HA -0.001 4.339 4.340 0.000 0.000 0.198 200 Q C 1.954 178.013 176.000 0.099 0.000 0.960 200 Q CA 0.633 56.509 55.803 0.121 0.000 0.847 200 Q CB 0.051 28.781 28.738 -0.014 0.000 0.915 200 Q HN 0.101 nan 8.270 nan 0.000 0.448 201 M N 0.346 119.960 119.600 0.024 0.000 2.200 201 M HA -0.047 4.433 4.480 0.000 0.000 0.265 201 M C 1.752 178.069 176.300 0.028 0.000 1.066 201 M CA 1.158 56.463 55.300 0.009 0.000 1.127 201 M CB 0.044 32.643 32.600 -0.002 0.000 1.379 201 M HN 0.203 nan 8.290 nan 0.000 0.420 202 L N -1.103 120.145 121.223 0.042 0.000 2.131 202 L HA 0.083 4.423 4.340 0.000 0.000 0.206 202 L C 2.070 178.943 176.870 0.005 0.000 1.087 202 L CA 1.344 56.206 54.840 0.036 0.000 0.767 202 L CB -0.784 41.303 42.059 0.047 0.000 0.917 202 L HN 0.405 nan 8.230 nan 0.000 0.441 203 G N -0.877 107.932 108.800 0.015 0.000 2.448 203 G HA2 -0.249 3.711 3.960 0.000 0.000 0.219 203 G HA3 -0.249 3.711 3.960 0.000 0.000 0.219 203 G C 1.569 176.241 174.900 -0.381 0.000 1.127 203 G CA 0.647 45.705 45.100 -0.069 0.000 0.766 203 G HN 0.538 nan 8.290 nan 0.000 0.552 204 A N 0.084 122.712 122.820 -0.319 0.000 1.968 204 A HA 0.191 4.511 4.320 0.000 0.000 0.217 204 A C 2.532 180.069 177.584 -0.078 0.000 1.169 204 A CA 1.511 53.356 52.037 -0.319 0.000 0.638 204 A CB -0.292 18.712 19.000 0.006 0.000 0.812 204 A HN 0.230 nan 8.150 nan 0.000 0.446 205 V N -0.386 119.503 119.914 -0.043 0.000 2.379 205 V HA -0.181 3.939 4.120 0.000 0.000 0.245 205 V C 2.511 178.616 176.094 0.017 0.000 1.044 205 V CA 1.876 64.171 62.300 -0.007 0.000 1.036 205 V CB -0.746 31.064 31.823 -0.020 0.000 0.664 205 V HN 0.355 nan 8.190 nan 0.000 0.453 206 V N -0.496 119.420 119.914 0.004 0.000 2.427 206 V HA -0.220 3.900 4.120 0.000 0.000 0.248 206 V C 2.182 178.319 176.094 0.072 0.000 1.051 206 V CA 2.126 64.450 62.300 0.041 0.000 1.048 206 V CB -0.793 31.045 31.823 0.025 0.000 0.666 206 V HN 0.549 nan 8.190 nan 0.000 0.456 207 F N 2.271 122.139 119.950 -0.136 0.000 2.134 207 F HA -0.029 4.498 4.527 0.000 0.000 0.299 207 F C 2.166 177.937 175.800 -0.049 0.000 1.097 207 F CA 1.700 59.620 58.000 -0.133 0.000 1.264 207 F CB -0.726 38.085 39.000 -0.316 0.000 1.001 207 F HN 0.137 nan 8.300 nan 0.000 0.479 208 G N -1.216 107.572 108.800 -0.020 0.000 2.403 208 G HA2 -0.268 3.692 3.960 0.000 0.000 0.216 208 G HA3 -0.268 3.692 3.960 0.000 0.000 0.216 208 G C 1.773 176.648 174.900 -0.040 0.000 1.154 208 G CA 0.839 45.907 45.100 -0.054 0.000 0.784 208 G HN 0.552 nan 8.290 nan 0.000 0.538 209 H N 0.397 119.419 119.070 -0.080 0.000 2.423 209 H HA 0.057 4.613 4.556 0.000 0.000 0.297 209 H C 2.180 177.459 175.328 -0.083 0.000 1.075 209 H CA 1.509 57.518 56.048 -0.066 0.000 1.342 209 H CB 0.197 29.928 29.762 -0.050 0.000 1.395 209 H HN 0.496 nan 8.280 nan 0.000 0.530 210 E N -0.363 119.750 120.200 -0.145 0.000 2.230 210 E HA -0.074 4.276 4.350 0.000 0.000 0.192 210 E C 2.004 178.474 176.600 -0.218 0.000 0.987 210 E CA 0.075 56.364 56.400 -0.186 0.000 0.841 210 E CB 0.416 30.055 29.700 -0.101 0.000 0.783 210 E HN 0.417 nan 8.360 nan 0.000 0.481 211 Q N -0.835 118.799 119.800 -0.276 0.000 2.331 211 Q HA -0.066 4.275 4.340 0.000 0.000 0.203 211 Q C 1.958 177.963 176.000 0.009 0.000 0.944 211 Q CA 1.239 56.910 55.803 -0.220 0.000 0.892 211 Q CB 0.419 28.898 28.738 -0.431 0.000 0.983 211 Q HN 0.396 nan 8.270 nan 0.000 0.482 212 Q N 0.304 120.088 119.800 -0.028 0.000 2.403 212 Q HA 0.009 4.349 4.340 0.000 0.000 0.203 212 Q C 1.580 177.515 176.000 -0.108 0.000 0.932 212 Q CA 0.321 56.129 55.803 0.008 0.000 0.945 212 Q CB -0.113 28.612 28.738 -0.022 0.000 1.045 212 Q HN 0.238 nan 8.270 nan 0.000 0.511 213 Q N -0.471 119.243 119.800 -0.143 0.000 2.224 213 Q HA -0.045 4.295 4.340 0.000 0.000 0.203 213 Q C 2.047 177.962 176.000 -0.142 0.000 0.970 213 Q CA 1.319 57.020 55.803 -0.170 0.000 0.865 213 Q CB -0.287 28.346 28.738 -0.175 0.000 0.922 213 Q HN 0.554 nan 8.270 nan 0.000 0.445 214 V N 0.252 120.109 119.914 -0.095 0.000 2.667 214 V HA -0.143 3.978 4.120 0.000 0.000 0.252 214 V C 2.074 177.983 176.094 -0.308 0.000 1.065 214 V CA 0.870 63.098 62.300 -0.121 0.000 1.083 214 V CB -0.030 31.812 31.823 0.030 0.000 0.692 214 V HN 0.087 nan 8.190 nan 0.000 0.468 215 V N 0.244 119.982 119.914 -0.294 0.000 2.379 215 V HA -0.173 3.947 4.120 0.000 0.000 0.245 215 V C 2.373 178.261 176.094 -0.344 0.000 1.044 215 V CA 1.771 63.828 62.300 -0.405 0.000 1.036 215 V CB -0.534 31.099 31.823 -0.316 0.000 0.664 215 V HN 0.414 nan 8.190 nan 0.000 0.453 216 I N 0.268 120.694 120.570 -0.239 0.000 2.127 216 I HA -0.302 3.869 4.170 0.000 0.000 0.241 216 I C 2.614 178.615 176.117 -0.194 0.000 1.075 216 I CA 1.901 63.091 61.300 -0.183 0.000 1.334 216 I CB -1.264 36.647 38.000 -0.148 0.000 1.040 216 I HN 0.435 nan 8.210 nan 0.000 0.405 217 Q N 0.237 119.909 119.800 -0.213 0.000 2.167 217 Q HA -0.144 4.197 4.340 0.000 0.000 0.202 217 Q C 1.955 177.818 176.000 -0.228 0.000 0.970 217 Q CA 1.045 56.735 55.803 -0.188 0.000 0.855 217 Q CB -0.112 28.528 28.738 -0.164 0.000 0.911 217 Q HN 0.531 nan 8.270 nan 0.000 0.438 218 N N 0.383 118.859 118.700 -0.373 0.000 2.331 218 N HA -0.042 4.698 4.740 0.000 0.000 0.180 218 N C 1.685 177.039 175.510 -0.261 0.000 1.019 218 N CA 0.849 53.646 53.050 -0.421 0.000 0.881 218 N CB 0.143 38.053 38.487 -0.962 0.000 0.972 218 N HN 0.282 nan 8.380 nan 0.000 0.435 219 I N 1.166 121.598 120.570 -0.229 0.000 2.286 219 I HA -0.161 4.009 4.170 0.000 0.000 0.245 219 I C 1.802 177.860 176.117 -0.098 0.000 1.104 219 I CA 0.682 61.902 61.300 -0.132 0.000 1.397 219 I CB -0.178 37.753 38.000 -0.116 0.000 1.072 219 I HN 0.024 nan 8.210 nan 0.000 0.417 220 N N 0.691 119.329 118.700 -0.103 0.000 2.223 220 N HA -0.154 4.586 4.740 0.000 0.000 0.185 220 N C 1.662 177.134 175.510 -0.064 0.000 1.016 220 N CA 1.050 54.056 53.050 -0.074 0.000 0.863 220 N CB -0.112 38.330 38.487 -0.074 0.000 0.983 220 N HN 0.358 nan 8.380 nan 0.000 0.429 221 E N 0.839 120.993 120.200 -0.078 0.000 2.208 221 E HA -0.026 4.324 4.350 0.000 0.000 0.193 221 E C 2.077 178.652 176.600 -0.041 0.000 0.988 221 E CA 0.071 56.436 56.400 -0.058 0.000 0.828 221 E CB -0.101 29.558 29.700 -0.069 0.000 0.763 221 E HN 0.371 nan 8.360 nan 0.000 0.478 222 L N 0.368 121.564 121.223 -0.045 0.000 2.131 222 L HA -0.100 4.240 4.340 0.000 0.000 0.206 222 L C 2.178 179.035 176.870 -0.023 0.000 1.087 222 L CA 0.497 55.321 54.840 -0.027 0.000 0.767 222 L CB 0.101 42.145 42.059 -0.026 0.000 0.917 222 L HN -0.052 nan 8.230 nan 0.000 0.441 223 V N -0.350 119.546 119.914 -0.030 0.000 2.515 223 V HA -0.278 3.842 4.120 0.000 0.000 0.250 223 V C 2.381 178.468 176.094 -0.012 0.000 1.058 223 V CA 1.650 63.937 62.300 -0.022 0.000 1.064 223 V CB -0.542 31.265 31.823 -0.027 0.000 0.675 223 V HN 0.413 nan 8.190 nan 0.000 0.461 224 K N -0.274 120.116 120.400 -0.016 0.000 2.217 224 K HA -0.141 4.180 4.320 0.000 0.000 0.202 224 K C 2.027 178.624 176.600 -0.005 0.000 1.051 224 K CA 1.273 57.553 56.287 -0.010 0.000 0.952 224 K CB 0.127 32.617 32.500 -0.016 0.000 0.736 224 K HN 0.599 nan 8.250 nan 0.000 0.453 225 E N -0.750 119.447 120.200 -0.005 0.000 2.057 225 E HA 0.024 4.374 4.350 0.000 0.000 0.191 225 E C 0.366 176.969 176.600 0.005 0.000 0.959 225 E CA 0.664 57.064 56.400 0.000 0.000 0.828 225 E CB 0.279 29.980 29.700 0.001 0.000 0.800 225 E HN 0.181 nan 8.360 nan 0.000 0.460 226 A N 1.399 124.222 122.820 0.004 0.000 2.956 226 A HA 0.458 4.778 4.320 0.000 0.000 0.294 226 A C 0.106 177.694 177.584 0.007 0.000 0.993 226 A CA -0.179 51.863 52.037 0.009 0.000 1.032 226 A CB 0.424 19.430 19.000 0.011 0.000 1.129 226 A HN 0.167 nan 8.150 nan 0.000 0.505 227 G N 0.120 108.924 108.800 0.006 0.000 2.367 227 G HA2 0.485 4.445 3.960 0.000 0.000 0.314 227 G HA3 0.485 4.445 3.960 0.000 0.000 0.314 227 G C -0.252 174.660 174.900 0.021 0.000 1.130 227 G CA -0.567 44.535 45.100 0.005 0.000 0.864 227 G HN 0.391 nan 8.290 nan 0.000 0.486 228 K N 2.133 122.550 120.400 0.028 0.000 2.237 228 K HA 0.229 4.549 4.320 0.000 0.000 0.270 228 K C -1.859 174.788 176.600 0.078 0.000 1.015 228 K CA -1.105 55.217 56.287 0.058 0.000 0.949 228 K CB 0.911 33.456 32.500 0.075 0.000 0.976 228 K HN 0.369 nan 8.250 nan 0.000 0.472 229 P HA -0.078 nan 4.420 nan 0.000 0.264 229 P C -0.530 176.871 177.300 0.167 0.000 1.183 229 P CA 0.189 63.355 63.100 0.110 0.000 0.763 229 P CB 0.262 32.024 31.700 0.103 0.000 0.807 230 R N 3.350 123.937 120.500 0.145 0.000 2.446 230 R HA -0.015 4.325 4.340 0.000 0.000 0.314 230 R C 0.238 176.723 176.300 0.309 0.000 1.003 230 R CA -0.227 55.983 56.100 0.183 0.000 1.018 230 R CB -1.152 29.225 30.300 0.129 0.000 0.945 230 R HN 0.499 nan 8.270 nan 0.000 0.419 231 W N 1.194 122.549 121.300 0.092 0.000 2.456 231 W HA 0.046 4.706 4.660 0.000 0.000 0.343 231 W C 0.616 177.233 176.519 0.164 0.000 1.211 231 W CA 0.689 58.110 57.345 0.127 0.000 1.353 231 W CB 0.512 30.064 29.460 0.153 0.000 1.189 231 W HN 0.733 nan 8.180 nan 0.000 0.587 232 D N 1.862 122.441 120.400 0.299 0.000 2.349 232 D HA 0.262 4.902 4.640 0.000 0.000 0.232 232 D C -1.590 174.930 176.300 0.367 0.000 1.071 232 D CA -0.354 53.799 54.000 0.254 0.000 0.832 232 D CB 0.249 41.122 40.800 0.121 0.000 1.086 232 D HN 0.284 nan 8.370 nan 0.000 0.504 233 W N 3.769 125.170 121.300 0.168 0.000 3.479 233 W HA 0.355 5.016 4.660 0.001 0.000 0.304 233 W C -1.917 174.689 176.519 0.144 0.000 1.243 233 W CA -0.504 56.948 57.345 0.178 0.000 1.202 233 W CB 1.265 30.924 29.460 0.332 0.000 1.346 233 W HN 0.116 nan 8.180 nan 0.000 0.539 234 Q N 5.576 124.900 119.800 -0.793 0.000 2.356 234 Q HA 0.419 4.759 4.340 0.000 0.000 0.270 234 Q C -2.270 172.934 176.000 -1.327 0.000 1.058 234 Q CA -1.854 53.476 55.803 -0.788 0.000 0.802 234 Q CB 2.422 30.940 28.738 -0.367 0.000 1.303 234 Q HN 0.295 nan 8.270 nan 0.000 0.444 235 P HA 0.040 nan 4.420 nan 0.000 0.272 235 P C -0.345 176.755 177.300 -0.334 0.000 1.223 235 P CA -0.224 62.476 63.100 -0.666 0.000 0.784 235 P CB 0.795 32.335 31.700 -0.266 0.000 0.923 236 E N 2.762 122.863 120.200 -0.165 0.000 2.493 236 E HA 0.064 4.414 4.350 0.000 0.000 0.255 236 E C -1.542 175.016 176.600 -0.069 0.000 0.999 236 E CA -0.984 55.365 56.400 -0.086 0.000 0.934 236 E CB -0.701 28.992 29.700 -0.013 0.000 0.940 236 E HN 0.379 nan 8.360 nan 0.000 0.473 237 P HA -0.038 nan 4.420 nan 0.000 0.265 237 P C -0.001 177.283 177.300 -0.027 0.000 1.193 237 P CA -0.130 62.939 63.100 -0.051 0.000 0.765 237 P CB 0.592 32.264 31.700 -0.047 0.000 0.823 238 V N 3.483 123.385 119.914 -0.020 0.000 2.485 238 V HA 0.010 4.131 4.120 0.000 0.000 0.287 238 V C 0.387 176.477 176.094 -0.006 0.000 1.022 238 V CA -0.169 62.126 62.300 -0.007 0.000 1.067 238 V CB -0.397 31.424 31.823 -0.004 0.000 0.967 238 V HN 0.534 nan 8.190 nan 0.000 0.479 239 N N 4.989 123.689 118.700 -0.000 0.000 2.500 239 N HA 0.167 4.908 4.740 0.000 0.000 0.236 239 N C 0.856 176.368 175.510 0.003 0.000 1.022 239 N CA 0.153 53.203 53.050 0.000 0.000 0.935 239 N CB 1.076 39.564 38.487 0.003 0.000 1.147 239 N HN 0.839 nan 8.380 nan 0.000 0.512 240 E N 2.855 123.056 120.200 0.001 0.000 2.208 240 E HA -0.110 4.240 4.350 0.000 0.000 0.193 240 E C 1.263 177.864 176.600 0.003 0.000 0.988 240 E CA 0.792 57.193 56.400 0.002 0.000 0.828 240 E CB 0.145 29.844 29.700 -0.000 0.000 0.763 240 E HN 0.701 nan 8.360 nan 0.000 0.478 241 A N 0.559 123.381 122.820 0.002 0.000 1.969 241 A HA -0.079 4.241 4.320 0.000 0.000 0.218 241 A C 1.997 179.584 177.584 0.005 0.000 1.169 241 A CA 0.838 52.877 52.037 0.003 0.000 0.635 241 A CB -0.218 18.783 19.000 0.002 0.000 0.810 241 A HN 0.299 nan 8.150 nan 0.000 0.445 242 L N -1.241 119.986 121.223 0.007 0.000 2.408 242 L HA 0.033 4.374 4.340 0.000 0.000 0.215 242 L C 1.920 178.797 176.870 0.012 0.000 1.081 242 L CA 0.214 55.060 54.840 0.010 0.000 0.840 242 L CB -0.337 41.729 42.059 0.011 0.000 1.002 242 L HN 0.222 nan 8.230 nan 0.000 0.468 243 N N 1.052 119.758 118.700 0.011 0.000 2.120 243 N HA -0.135 4.605 4.740 0.000 0.000 0.188 243 N C 1.808 177.324 175.510 0.010 0.000 1.024 243 N CA 1.592 54.650 53.050 0.013 0.000 0.852 243 N CB -0.171 38.323 38.487 0.011 0.000 1.003 243 N HN 0.271 nan 8.380 nan 0.000 0.424 244 A N 0.184 123.009 122.820 0.008 0.000 2.072 244 A HA 0.041 4.361 4.320 0.000 0.000 0.216 244 A C 2.159 179.748 177.584 0.008 0.000 1.156 244 A CA 0.510 52.551 52.037 0.007 0.000 0.701 244 A CB -0.193 18.810 19.000 0.004 0.000 0.816 244 A HN 0.165 nan 8.150 nan 0.000 0.458 245 R N -0.319 120.186 120.500 0.009 0.000 2.073 245 R HA -0.057 4.283 4.340 0.000 0.000 0.229 245 R C 1.703 178.010 176.300 0.011 0.000 1.120 245 R CA 1.664 57.770 56.100 0.009 0.000 0.967 245 R CB -0.186 30.120 30.300 0.009 0.000 0.862 245 R HN 0.304 nan 8.270 nan 0.000 0.436 246 V N 0.744 120.666 119.914 0.014 0.000 2.488 246 V HA -0.095 4.025 4.120 0.000 0.000 0.246 246 V C 2.375 178.479 176.094 0.016 0.000 1.046 246 V CA 1.643 63.953 62.300 0.017 0.000 1.053 246 V CB -0.412 31.424 31.823 0.022 0.000 0.679 246 V HN 0.470 nan 8.190 nan 0.000 0.458 247 A N 0.261 123.089 122.820 0.014 0.000 1.972 247 A HA -0.041 4.279 4.320 0.000 0.000 0.219 247 A C 2.278 179.868 177.584 0.011 0.000 1.169 247 A CA 1.718 53.762 52.037 0.012 0.000 0.635 247 A CB -0.566 18.438 19.000 0.008 0.000 0.810 247 A HN 0.568 nan 8.150 nan 0.000 0.446 248 A N -1.242 121.584 122.820 0.010 0.000 2.209 248 A HA 0.317 4.638 4.320 0.000 0.000 0.212 248 A C 1.777 179.367 177.584 0.010 0.000 1.158 248 A CA 1.053 53.096 52.037 0.009 0.000 0.742 248 A CB -0.284 18.720 19.000 0.007 0.000 0.790 248 A HN 0.476 nan 8.150 nan 0.000 0.472 249 L N -3.226 118.004 121.223 0.012 0.000 2.766 249 L HA 0.274 4.615 4.340 0.000 0.000 0.241 249 L C 2.363 179.243 176.870 0.016 0.000 1.080 249 L CA 0.816 55.663 54.840 0.013 0.000 0.909 249 L CB 0.117 42.184 42.059 0.013 0.000 1.277 249 L HN 0.277 nan 8.230 nan 0.000 0.510 250 A N -0.388 122.443 122.820 0.019 0.000 1.984 250 A HA -0.010 4.310 4.320 0.000 0.000 0.203 250 A C 1.963 179.564 177.584 0.028 0.000 1.292 250 A CA 0.391 52.443 52.037 0.024 0.000 0.782 250 A CB -0.025 18.992 19.000 0.028 0.000 0.924 250 A HN 0.239 nan 8.150 nan 0.000 0.475 251 E N 0.474 120.688 120.200 0.022 0.000 2.118 251 E HA -0.170 4.181 4.350 0.000 0.000 0.195 251 E C 1.930 178.543 176.600 0.023 0.000 0.992 251 E CA 1.192 57.604 56.400 0.020 0.000 0.804 251 E CB -0.159 29.546 29.700 0.010 0.000 0.741 251 E HN 0.534 nan 8.360 nan 0.000 0.458 252 A N 0.844 123.676 122.820 0.020 0.000 1.968 252 A HA -0.065 4.256 4.320 0.000 0.000 0.217 252 A C 2.052 179.650 177.584 0.024 0.000 1.169 252 A CA 0.876 52.925 52.037 0.019 0.000 0.638 252 A CB -0.157 18.852 19.000 0.014 0.000 0.812 252 A HN 0.149 nan 8.150 nan 0.000 0.446 253 R N -0.852 119.663 120.500 0.026 0.000 2.173 253 R HA 0.236 4.576 4.340 0.000 0.000 0.208 253 R C 1.606 177.928 176.300 0.037 0.000 1.035 253 R CA 0.534 56.648 56.100 0.024 0.000 1.004 253 R CB -0.248 30.062 30.300 0.017 0.000 0.917 253 R HN 0.427 nan 8.270 nan 0.000 0.462 254 L N 0.225 121.484 121.223 0.060 0.000 2.313 254 L HA -0.016 4.324 4.340 0.000 0.000 0.214 254 L C 2.469 179.443 176.870 0.174 0.000 1.119 254 L CA 0.619 55.531 54.840 0.119 0.000 0.809 254 L CB -0.166 41.981 42.059 0.148 0.000 0.933 254 L HN 0.129 nan 8.230 nan 0.000 0.449 255 S N -0.184 115.577 115.700 0.101 0.000 2.383 255 S HA -0.177 4.293 4.470 0.000 0.000 0.227 255 S C 1.534 176.187 174.600 0.088 0.000 1.026 255 S CA 1.475 59.727 58.200 0.088 0.000 0.981 255 S CB -0.076 63.150 63.200 0.044 0.000 0.818 255 S HN 0.402 nan 8.310 nan 0.000 0.472 256 D N 0.893 121.329 120.400 0.061 0.000 2.289 256 D HA 0.214 4.855 4.640 0.000 0.000 0.207 256 D C 1.963 178.281 176.300 0.030 0.000 0.966 256 D CA 0.881 54.905 54.000 0.041 0.000 0.868 256 D CB -0.300 40.514 40.800 0.023 0.000 0.943 256 D HN 0.462 nan 8.370 nan 0.000 0.514 257 A N -0.213 122.621 122.820 0.023 0.000 1.968 257 A HA -0.130 4.190 4.320 0.000 0.000 0.217 257 A C 1.402 178.903 177.584 -0.137 0.000 1.169 257 A CA 0.750 52.745 52.037 -0.071 0.000 0.638 257 A CB -0.640 18.285 19.000 -0.125 0.000 0.812 257 A HN 0.215 nan 8.150 nan 0.000 0.446 258 Y N -1.058 119.236 120.300 -0.010 0.000 2.471 258 Y HA 0.204 4.754 4.550 0.000 0.000 0.286 258 Y C 2.111 178.015 175.900 0.007 0.000 1.188 258 Y CA 0.376 58.473 58.100 -0.005 0.000 1.286 258 Y CB 0.070 38.521 38.460 -0.015 0.000 1.072 258 Y HN 0.245 nan 8.280 nan 0.000 0.517 259 R N 0.012 120.575 120.500 0.105 0.000 2.334 259 R HA 0.213 4.553 4.340 0.000 0.000 0.212 259 R C -0.022 176.304 176.300 0.044 0.000 0.897 259 R CA -0.011 56.132 56.100 0.071 0.000 1.056 259 R CB 0.173 30.505 30.300 0.053 0.000 1.046 259 R HN 0.194 nan 8.270 nan 0.000 0.513 260 I N 1.260 121.844 120.570 0.023 0.000 2.598 260 I HA -0.063 4.107 4.170 0.000 0.000 0.284 260 I C 1.306 177.439 176.117 0.028 0.000 1.140 260 I CA 0.083 61.391 61.300 0.013 0.000 1.420 260 I CB 1.709 39.702 38.000 -0.011 0.000 1.387 260 I HN 0.084 nan 8.210 nan 0.000 0.553 261 T N 2.655 117.226 114.554 0.028 0.000 2.737 261 T HA -0.129 4.221 4.350 0.000 0.000 0.265 261 T C 0.614 175.336 174.700 0.037 0.000 1.038 261 T CA 0.790 62.910 62.100 0.033 0.000 1.144 261 T CB -0.269 68.614 68.868 0.025 0.000 0.866 261 T HN 0.627 nan 8.240 nan 0.000 0.434 262 D N 0.822 121.240 120.400 0.030 0.000 2.382 262 D HA 0.117 4.757 4.640 0.000 0.000 0.245 262 D C 1.055 177.386 176.300 0.052 0.000 1.120 262 D CA 0.046 54.065 54.000 0.032 0.000 0.890 262 D CB 0.881 41.694 40.800 0.022 0.000 1.201 262 D HN 0.057 nan 8.370 nan 0.000 0.433 263 K N 1.991 122.423 120.400 0.053 0.000 2.116 263 K HA -0.115 4.206 4.320 0.000 0.000 0.203 263 K C 1.598 178.251 176.600 0.090 0.000 1.052 263 K CA 0.926 57.262 56.287 0.082 0.000 0.952 263 K CB 0.159 32.671 32.500 0.020 0.000 0.729 263 K HN 0.527 nan 8.250 nan 0.000 0.446 264 Q N 0.334 120.154 119.800 0.034 0.000 2.079 264 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 264 Q C 1.779 177.819 176.000 0.068 0.000 0.974 264 Q CA 1.537 57.360 55.803 0.033 0.000 0.840 264 Q CB 0.084 28.826 28.738 0.006 0.000 0.898 264 Q HN 0.394 nan 8.270 nan 0.000 0.430 265 E N 0.365 120.593 120.200 0.047 0.000 2.208 265 E HA -0.150 4.200 4.350 0.000 0.000 0.193 265 E C 1.965 178.577 176.600 0.020 0.000 0.988 265 E CA 0.403 56.820 56.400 0.030 0.000 0.828 265 E CB 0.022 29.731 29.700 0.015 0.000 0.763 265 E HN 0.178 nan 8.360 nan 0.000 0.478 266 R N -0.005 120.516 120.500 0.036 0.000 2.073 266 R HA -0.112 4.228 4.340 0.000 0.000 0.229 266 R C 1.734 177.996 176.300 -0.062 0.000 1.120 266 R CA 1.095 57.170 56.100 -0.042 0.000 0.967 266 R CB -0.103 30.172 30.300 -0.040 0.000 0.862 266 R HN 0.200 nan 8.270 nan 0.000 0.436 267 Y N -0.072 120.178 120.300 -0.082 0.000 2.352 267 Y HA -0.067 4.483 4.550 0.001 0.000 0.292 267 Y C 2.293 178.167 175.900 -0.044 0.000 1.136 267 Y CA 1.024 59.089 58.100 -0.058 0.000 1.227 267 Y CB 0.098 38.545 38.460 -0.022 0.000 0.991 267 Y HN 0.272 nan 8.280 nan 0.000 0.545 268 A N -0.662 122.217 122.820 0.098 0.000 1.930 268 A HA -0.188 4.133 4.320 0.000 0.000 0.215 268 A C 1.991 179.577 177.584 0.002 0.000 1.176 268 A CA 1.537 53.602 52.037 0.046 0.000 0.632 268 A CB -0.429 18.593 19.000 0.038 0.000 0.819 268 A HN 0.382 nan 8.150 nan 0.000 0.445 269 Q N -0.552 119.232 119.800 -0.027 0.000 2.096 269 Q HA -0.023 4.318 4.340 0.000 0.000 0.197 269 Q C 1.860 177.815 176.000 -0.075 0.000 0.964 269 Q CA 1.663 57.437 55.803 -0.049 0.000 0.838 269 Q CB -0.533 28.168 28.738 -0.061 0.000 0.906 269 Q HN 0.293 nan 8.270 nan 0.000 0.444 270 V N 0.772 120.605 119.914 -0.135 0.000 2.594 270 V HA -0.216 3.904 4.120 0.000 0.000 0.253 270 V C 1.460 177.506 176.094 -0.079 0.000 1.069 270 V CA 2.384 64.590 62.300 -0.158 0.000 1.082 270 V CB -0.301 31.337 31.823 -0.309 0.000 0.680 270 V HN 0.490 nan 8.190 nan 0.000 0.469 271 D N -1.141 119.228 120.400 -0.053 0.000 2.234 271 D HA -0.094 4.547 4.640 0.000 0.000 0.205 271 D C 2.001 178.297 176.300 -0.006 0.000 0.962 271 D CA 1.248 55.238 54.000 -0.015 0.000 0.855 271 D CB 0.114 40.919 40.800 0.007 0.000 0.951 271 D HN 0.336 nan 8.370 nan 0.000 0.500 272 V N 0.247 120.154 119.914 -0.011 0.000 2.358 272 V HA -0.185 3.936 4.120 0.000 0.000 0.246 272 V C 2.333 178.425 176.094 -0.003 0.000 1.047 272 V CA 1.090 63.388 62.300 -0.005 0.000 1.035 272 V CB -0.324 31.495 31.823 -0.007 0.000 0.658 272 V HN 0.201 nan 8.190 nan 0.000 0.452 273 I N -0.237 120.328 120.570 -0.009 0.000 2.179 273 I HA -0.231 3.939 4.170 0.000 0.000 0.242 273 I C 2.457 178.579 176.117 0.009 0.000 1.088 273 I CA 1.713 63.013 61.300 0.000 0.000 1.357 273 I CB -0.480 37.520 38.000 -0.001 0.000 1.051 273 I HN 0.186 nan 8.210 nan 0.000 0.409 274 K N -0.068 120.337 120.400 0.008 0.000 2.063 274 K HA -0.146 4.175 4.320 0.000 0.000 0.208 274 K C 2.277 178.888 176.600 0.018 0.000 1.048 274 K CA 1.852 58.149 56.287 0.018 0.000 0.928 274 K CB -0.211 32.300 32.500 0.018 0.000 0.713 274 K HN 0.249 nan 8.250 nan 0.000 0.442 275 S N 0.888 116.596 115.700 0.014 0.000 2.377 275 S HA -0.080 4.391 4.470 0.000 0.000 0.223 275 S C 1.708 176.316 174.600 0.013 0.000 1.030 275 S CA 0.978 59.187 58.200 0.014 0.000 0.970 275 S CB -0.026 63.181 63.200 0.012 0.000 0.830 275 S HN 0.321 nan 8.310 nan 0.000 0.473 276 E N 0.704 120.910 120.200 0.011 0.000 2.152 276 E HA -0.057 4.294 4.350 0.000 0.000 0.192 276 E C 1.923 178.530 176.600 0.012 0.000 0.983 276 E CA 1.289 57.695 56.400 0.010 0.000 0.818 276 E CB -0.162 29.543 29.700 0.008 0.000 0.758 276 E HN 0.401 nan 8.360 nan 0.000 0.467 277 T N 1.342 115.904 114.554 0.014 0.000 2.812 277 T HA -0.066 4.284 4.350 0.000 0.000 0.264 277 T C 1.966 176.676 174.700 0.017 0.000 1.042 277 T CA 0.575 62.685 62.100 0.016 0.000 1.140 277 T CB -0.063 68.816 68.868 0.019 0.000 0.870 277 T HN 0.103 nan 8.240 nan 0.000 0.445 278 I N 0.847 121.428 120.570 0.019 0.000 2.546 278 I HA -0.040 4.130 4.170 0.000 0.000 0.255 278 I C 2.455 178.582 176.117 0.016 0.000 1.163 278 I CA 0.525 61.837 61.300 0.019 0.000 1.457 278 I CB -0.160 37.853 38.000 0.022 0.000 1.092 278 I HN 0.202 nan 8.210 nan 0.000 0.434 279 A N -0.040 122.789 122.820 0.014 0.000 1.930 279 A HA -0.165 4.155 4.320 0.000 0.000 0.215 279 A C 2.324 179.915 177.584 0.011 0.000 1.176 279 A CA 1.862 53.907 52.037 0.012 0.000 0.632 279 A CB -1.052 17.955 19.000 0.011 0.000 0.819 279 A HN 0.502 nan 8.150 nan 0.000 0.445 280 T N -1.703 112.857 114.554 0.011 0.000 2.904 280 T HA 0.050 4.400 4.350 0.000 0.000 0.267 280 T C 1.782 176.488 174.700 0.010 0.000 1.059 280 T CA 1.201 63.307 62.100 0.010 0.000 1.137 280 T CB -0.381 68.493 68.868 0.010 0.000 0.879 280 T HN 0.247 nan 8.240 nan 0.000 0.467 281 L N -0.062 121.168 121.223 0.012 0.000 2.131 281 L HA 0.229 4.570 4.340 0.000 0.000 0.206 281 L C 2.516 179.393 176.870 0.011 0.000 1.087 281 L CA 0.816 55.663 54.840 0.012 0.000 0.767 281 L CB -0.357 41.711 42.059 0.015 0.000 0.917 281 L HN 0.222 nan 8.230 nan 0.000 0.441 282 L N -0.822 120.409 121.223 0.012 0.000 2.395 282 L HA -0.027 4.314 4.340 0.000 0.000 0.218 282 L C 2.648 179.524 176.870 0.010 0.000 1.130 282 L CA 0.461 55.307 54.840 0.011 0.000 0.826 282 L CB -0.442 41.624 42.059 0.012 0.000 0.941 282 L HN 0.190 nan 8.230 nan 0.000 0.451 283 A N 0.025 122.850 122.820 0.009 0.000 1.969 283 A HA -0.170 4.150 4.320 0.000 0.000 0.218 283 A C 2.154 179.742 177.584 0.007 0.000 1.169 283 A CA 1.289 53.331 52.037 0.008 0.000 0.635 283 A CB -0.188 18.816 19.000 0.008 0.000 0.810 283 A HN 0.419 nan 8.150 nan 0.000 0.445 284 E N -0.514 119.690 120.200 0.007 0.000 2.046 284 E HA -0.042 4.309 4.350 0.000 0.000 0.190 284 E C -0.507 176.096 176.600 0.006 0.000 0.982 284 E CA 0.937 57.340 56.400 0.006 0.000 0.800 284 E CB 0.081 29.785 29.700 0.007 0.000 0.756 284 E HN 0.444 nan 8.360 nan 0.000 0.449 285 D N -0.927 119.477 120.400 0.007 0.000 2.970 285 D HA 0.117 4.757 4.640 0.000 0.000 0.230 285 D C -0.534 175.771 176.300 0.008 0.000 1.276 285 D CA -0.196 53.808 54.000 0.007 0.000 0.910 285 D CB 1.605 42.409 40.800 0.006 0.000 1.590 285 D HN -0.075 nan 8.370 nan 0.000 0.551 286 E N -0.239 119.966 120.200 0.007 0.000 2.489 286 E HA -0.029 4.321 4.350 0.000 0.000 0.193 286 E C 1.356 177.961 176.600 0.008 0.000 1.057 286 E CA 0.400 56.805 56.400 0.008 0.000 0.866 286 E CB 0.316 30.020 29.700 0.008 0.000 0.916 286 E HN 0.496 nan 8.360 nan 0.000 0.500 287 T N -0.779 113.779 114.554 0.007 0.000 2.995 287 T HA -0.012 4.338 4.350 0.000 0.000 0.269 287 T C 0.998 175.703 174.700 0.008 0.000 1.091 287 T CA 0.187 62.291 62.100 0.007 0.000 1.128 287 T CB -0.144 68.728 68.868 0.005 0.000 0.891 287 T HN -0.028 nan 8.240 nan 0.000 0.492 288 L N 2.181 123.410 121.223 0.009 0.000 2.426 288 L HA 0.321 4.661 4.340 0.000 0.000 0.271 288 L C 0.449 177.327 176.870 0.014 0.000 1.169 288 L CA -0.550 54.296 54.840 0.012 0.000 0.836 288 L CB 0.285 42.351 42.059 0.013 0.000 1.112 288 L HN 0.149 nan 8.230 nan 0.000 0.465 289 D N 1.172 121.581 120.400 0.015 0.000 2.345 289 D HA -0.022 4.618 4.640 0.000 0.000 0.247 289 D C 0.851 177.164 176.300 0.022 0.000 1.108 289 D CA 0.071 54.082 54.000 0.018 0.000 0.894 289 D CB 1.128 41.940 40.800 0.019 0.000 1.203 289 D HN 0.568 nan 8.370 nan 0.000 0.430 290 E N 2.252 122.466 120.200 0.023 0.000 2.107 290 E HA -0.172 4.179 4.350 0.000 0.000 0.191 290 E C 0.903 177.522 176.600 0.033 0.000 0.982 290 E CA 0.586 57.002 56.400 0.027 0.000 0.809 290 E CB 0.177 29.893 29.700 0.026 0.000 0.756 290 E HN 0.431 nan 8.360 nan 0.000 0.459 291 N N 0.770 119.490 118.700 0.034 0.000 2.331 291 N HA -0.103 4.637 4.740 0.000 0.000 0.180 291 N C 1.351 176.887 175.510 0.042 0.000 1.019 291 N CA 0.804 53.879 53.050 0.041 0.000 0.881 291 N CB 0.019 38.532 38.487 0.042 0.000 0.972 291 N HN 0.328 nan 8.380 nan 0.000 0.435 292 E N 0.655 120.878 120.200 0.037 0.000 2.107 292 E HA -0.016 4.334 4.350 0.000 0.000 0.191 292 E C 1.866 178.490 176.600 0.041 0.000 0.982 292 E CA 0.533 56.955 56.400 0.038 0.000 0.809 292 E CB -0.013 29.705 29.700 0.029 0.000 0.756 292 E HN 0.269 nan 8.360 nan 0.000 0.459 293 L N 0.194 121.440 121.223 0.038 0.000 2.156 293 L HA -0.031 4.310 4.340 0.000 0.000 0.208 293 L C 2.475 179.375 176.870 0.050 0.000 1.095 293 L CA 0.930 55.794 54.840 0.039 0.000 0.770 293 L CB -0.349 41.730 42.059 0.032 0.000 0.914 293 L HN 0.201 nan 8.230 nan 0.000 0.439 294 G N -0.680 108.152 108.800 0.053 0.000 2.448 294 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 294 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 294 G C 1.474 176.426 174.900 0.087 0.000 1.135 294 G CA 0.464 45.602 45.100 0.065 0.000 0.784 294 G HN 0.422 nan 8.290 nan 0.000 0.543 295 E N 0.008 120.255 120.200 0.078 0.000 2.152 295 E HA -0.029 4.321 4.350 0.000 0.000 0.192 295 E C 2.363 179.033 176.600 0.117 0.000 0.983 295 E CA 0.350 56.807 56.400 0.095 0.000 0.818 295 E CB -0.119 29.626 29.700 0.074 0.000 0.758 295 E HN 0.525 nan 8.360 nan 0.000 0.467 296 I N 0.727 121.348 120.570 0.084 0.000 2.252 296 I HA -0.255 3.915 4.170 0.000 0.000 0.245 296 I C 2.303 178.463 176.117 0.072 0.000 1.102 296 I CA 0.724 62.065 61.300 0.068 0.000 1.385 296 I CB -0.162 37.867 38.000 0.047 0.000 1.064 296 I HN 0.150 nan 8.210 nan 0.000 0.414 297 L N -0.046 121.226 121.223 0.081 0.000 2.083 297 L HA -0.261 4.079 4.340 0.000 0.000 0.209 297 L C 2.687 179.614 176.870 0.096 0.000 1.083 297 L CA 1.528 56.415 54.840 0.078 0.000 0.752 297 L CB -0.753 41.352 42.059 0.078 0.000 0.899 297 L HN 0.317 nan 8.230 nan 0.000 0.433 298 H N -0.369 118.722 119.070 0.036 0.000 2.423 298 H HA -0.058 4.498 4.556 0.001 0.000 0.297 298 H C 2.107 177.447 175.328 0.021 0.000 1.075 298 H CA 1.183 57.252 56.048 0.035 0.000 1.342 298 H CB 0.219 30.008 29.762 0.045 0.000 1.395 298 H HN 0.287 nan 8.280 nan 0.000 0.530 299 A N 0.022 122.885 122.820 0.071 0.000 1.930 299 A HA -0.057 4.263 4.320 0.000 0.000 0.217 299 A C 2.225 179.781 177.584 -0.047 0.000 1.175 299 A CA 1.445 53.491 52.037 0.015 0.000 0.627 299 A CB -0.485 18.547 19.000 0.053 0.000 0.815 299 A HN 0.409 nan 8.150 nan 0.000 0.443 300 I N -0.019 120.531 120.570 -0.034 0.000 2.286 300 I HA -0.169 4.001 4.170 0.000 0.000 0.245 300 I C 2.293 178.346 176.117 -0.107 0.000 1.104 300 I CA 1.358 62.629 61.300 -0.048 0.000 1.397 300 I CB -0.351 37.643 38.000 -0.010 0.000 1.072 300 I HN 0.368 nan 8.210 nan 0.000 0.417 301 E N 0.230 120.353 120.200 -0.127 0.000 2.160 301 E HA -0.291 4.059 4.350 0.000 0.000 0.195 301 E C 2.102 178.458 176.600 -0.406 0.000 0.991 301 E CA 1.108 57.365 56.400 -0.238 0.000 0.810 301 E CB -0.114 29.522 29.700 -0.107 0.000 0.742 301 E HN 0.381 nan 8.360 nan 0.000 0.466 302 K N 0.749 120.949 120.400 -0.334 0.000 2.076 302 K HA -0.130 4.190 4.320 0.000 0.000 0.204 302 K C 1.989 178.472 176.600 -0.196 0.000 1.051 302 K CA 1.068 57.187 56.287 -0.279 0.000 0.949 302 K CB 0.064 32.421 32.500 -0.238 0.000 0.726 302 K HN -0.067 nan 8.250 nan 0.000 0.443 303 N N 0.244 118.853 118.700 -0.152 0.000 2.244 303 N HA -0.113 4.627 4.740 0.000 0.000 0.183 303 N C 1.493 176.935 175.510 -0.114 0.000 1.016 303 N CA 0.919 53.907 53.050 -0.103 0.000 0.866 303 N CB 0.072 38.518 38.487 -0.067 0.000 0.980 303 N HN -0.035 nan 8.380 nan 0.000 0.430 304 V N -0.343 119.476 119.914 -0.158 0.000 2.358 304 V HA -0.153 3.967 4.120 0.000 0.000 0.246 304 V C 2.220 178.213 176.094 -0.167 0.000 1.047 304 V CA 1.278 63.489 62.300 -0.148 0.000 1.035 304 V CB -0.383 31.346 31.823 -0.156 0.000 0.658 304 V HN 0.154 nan 8.190 nan 0.000 0.452 305 V N -0.191 119.566 119.914 -0.262 0.000 2.379 305 V HA -0.203 3.917 4.120 0.000 0.000 0.245 305 V C 2.531 178.560 176.094 -0.109 0.000 1.044 305 V CA 1.884 64.060 62.300 -0.206 0.000 1.036 305 V CB -0.776 30.880 31.823 -0.279 0.000 0.664 305 V HN 0.442 nan 8.190 nan 0.000 0.453 306 R N 0.153 120.591 120.500 -0.103 0.000 2.092 306 R HA -0.095 4.245 4.340 0.000 0.000 0.231 306 R C 2.473 178.747 176.300 -0.044 0.000 1.119 306 R CA 1.648 57.712 56.100 -0.059 0.000 0.970 306 R CB -0.406 29.862 30.300 -0.053 0.000 0.864 306 R HN 0.434 nan 8.270 nan 0.000 0.440 307 S N 0.184 115.854 115.700 -0.050 0.000 2.461 307 S HA -0.022 4.448 4.470 0.000 0.000 0.228 307 S C 1.702 176.284 174.600 -0.030 0.000 1.005 307 S CA 0.585 58.763 58.200 -0.036 0.000 0.942 307 S CB 0.001 63.180 63.200 -0.036 0.000 0.776 307 S HN 0.266 nan 8.310 nan 0.000 0.514 308 R N 1.113 121.592 120.500 -0.034 0.000 2.090 308 R HA -0.034 4.307 4.340 0.000 0.000 0.228 308 R C 1.901 178.191 176.300 -0.016 0.000 1.110 308 R CA 1.436 57.523 56.100 -0.022 0.000 0.973 308 R CB -0.079 30.209 30.300 -0.019 0.000 0.869 308 R HN 0.437 nan 8.270 nan 0.000 0.440 309 V N -0.992 118.911 119.914 -0.018 0.000 3.649 309 V HA 0.088 4.208 4.120 0.000 0.000 0.275 309 V C 1.267 177.350 176.094 -0.018 0.000 1.281 309 V CA 0.359 62.651 62.300 -0.014 0.000 1.143 309 V CB 0.322 32.140 31.823 -0.008 0.000 0.892 309 V HN 0.180 nan 8.190 nan 0.000 0.441 310 L N 0.169 121.380 121.223 -0.021 0.000 2.741 310 L HA 0.631 4.971 4.340 0.000 0.000 0.237 310 L C 1.191 178.045 176.870 -0.027 0.000 1.178 310 L CA 1.038 55.864 54.840 -0.024 0.000 0.973 310 L CB -0.191 41.856 42.059 -0.020 0.000 1.255 310 L HN 0.400 nan 8.230 nan 0.000 0.498 311 A N -0.794 122.011 122.820 -0.025 0.000 1.976 311 A HA 0.753 5.073 4.320 0.000 0.000 0.199 311 A C 0.778 178.347 177.584 -0.026 0.000 2.152 311 A CA 0.563 52.586 52.037 -0.024 0.000 1.086 311 A CB 0.156 19.145 19.000 -0.019 0.000 1.181 311 A HN 0.393 nan 8.150 nan 0.000 0.642 312 G N -0.721 108.066 108.800 -0.021 0.000 2.489 312 G HA2 0.484 4.445 3.960 0.000 0.000 0.291 312 G HA3 0.484 4.445 3.960 0.000 0.000 0.291 312 G C -1.358 173.535 174.900 -0.011 0.000 1.487 312 G CA -0.515 44.575 45.100 -0.016 0.000 0.795 312 G HN 0.171 nan 8.290 nan 0.000 0.513 313 E N 0.007 120.203 120.200 -0.006 0.000 3.136 313 E HA 0.355 4.705 4.350 0.000 0.000 0.271 313 E C -1.685 174.915 176.600 0.001 0.000 1.454 313 E CA -0.897 55.502 56.400 -0.002 0.000 1.194 313 E CB 0.121 29.822 29.700 0.003 0.000 1.175 313 E HN 0.369 nan 8.360 nan 0.000 0.726 314 P HA 0.150 nan 4.420 nan 0.000 0.273 314 P C -0.051 177.259 177.300 0.017 0.000 1.250 314 P CA -0.042 63.064 63.100 0.009 0.000 0.793 314 P CB 0.798 32.505 31.700 0.012 0.000 1.011 315 R N -0.115 120.398 120.500 0.021 0.000 2.983 315 R HA 0.176 4.517 4.340 0.000 0.000 0.241 315 R C 1.998 178.328 176.300 0.050 0.000 1.202 315 R CA -0.666 55.454 56.100 0.032 0.000 1.080 315 R CB -0.331 29.989 30.300 0.033 0.000 1.019 315 R HN 0.329 nan 8.270 nan 0.000 0.527 316 I N 1.410 122.023 120.570 0.072 0.000 2.179 316 I HA -0.234 3.936 4.170 0.000 0.000 0.242 316 I C 1.608 177.772 176.117 0.078 0.000 1.088 316 I CA 1.679 63.041 61.300 0.102 0.000 1.357 316 I CB -1.193 36.894 38.000 0.146 0.000 1.051 316 I HN 0.698 nan 8.210 nan 0.000 0.409 317 D N 0.216 120.655 120.400 0.064 0.000 2.328 317 D HA 0.100 4.740 4.640 0.000 0.000 0.221 317 D C 1.311 177.632 176.300 0.035 0.000 1.072 317 D CA 0.722 54.751 54.000 0.049 0.000 0.850 317 D CB 0.138 40.967 40.800 0.048 0.000 0.922 317 D HN 0.425 nan 8.370 nan 0.000 0.516 318 G N 0.880 109.700 108.800 0.033 0.000 2.203 318 G HA2 -0.250 3.710 3.960 0.000 0.000 0.231 318 G HA3 -0.250 3.710 3.960 0.000 0.000 0.231 318 G C -0.095 174.815 174.900 0.016 0.000 1.058 318 G CA -0.371 44.743 45.100 0.023 0.000 0.781 318 G HN 0.389 nan 8.290 nan 0.000 0.496 319 R N -0.579 119.931 120.500 0.017 0.000 2.828 319 R HA 0.647 4.987 4.340 0.000 0.000 0.264 319 R C 0.020 176.322 176.300 0.004 0.000 1.022 319 R CA -0.953 55.152 56.100 0.009 0.000 1.021 319 R CB 1.129 31.435 30.300 0.011 0.000 1.163 319 R HN 0.219 nan 8.270 nan 0.000 0.494 320 E N 1.091 121.288 120.200 -0.004 0.000 2.961 320 E HA 0.167 4.517 4.350 0.000 0.000 0.254 320 E C 0.696 177.290 176.600 -0.009 0.000 1.192 320 E CA -0.445 55.950 56.400 -0.008 0.000 1.069 320 E CB 0.593 30.285 29.700 -0.014 0.000 1.338 320 E HN 0.365 nan 8.360 nan 0.000 0.596 321 K N 0.395 120.787 120.400 -0.014 0.000 2.032 321 K HA -0.184 4.137 4.320 0.000 0.000 0.209 321 K C 1.134 177.724 176.600 -0.017 0.000 1.048 321 K CA 2.134 58.412 56.287 -0.014 0.000 0.927 321 K CB -0.012 32.476 32.500 -0.020 0.000 0.712 321 K HN 0.382 nan 8.250 nan 0.000 0.441 322 D N -0.965 119.422 120.400 -0.023 0.000 2.423 322 D HA 0.009 4.650 4.640 0.000 0.000 0.208 322 D C 0.439 176.715 176.300 -0.040 0.000 1.068 322 D CA 0.009 53.992 54.000 -0.029 0.000 0.860 322 D CB -0.112 40.669 40.800 -0.033 0.000 0.992 322 D HN -0.004 nan 8.370 nan 0.000 0.504 323 M N 1.518 121.094 119.600 -0.039 0.000 2.269 323 M HA 0.164 4.644 4.480 0.000 0.000 0.350 323 M C 0.374 176.649 176.300 -0.042 0.000 1.429 323 M CA 0.159 55.427 55.300 -0.054 0.000 1.063 323 M CB 0.655 33.232 32.600 -0.038 0.000 1.841 323 M HN 0.117 nan 8.290 nan 0.000 0.455 324 I N 0.418 120.947 120.570 -0.068 0.000 2.793 324 I HA 0.577 4.747 4.170 0.000 0.000 0.313 324 I C -0.026 176.085 176.117 -0.011 0.000 0.998 324 I CA -1.199 60.086 61.300 -0.026 0.000 1.140 324 I CB 1.287 39.282 38.000 -0.008 0.000 1.327 324 I HN 0.607 nan 8.210 nan 0.000 0.491 325 R N 1.729 122.242 120.500 0.022 0.000 2.726 325 R HA 0.394 4.734 4.340 0.000 0.000 0.272 325 R C 0.422 176.740 176.300 0.030 0.000 1.097 325 R CA -0.056 56.057 56.100 0.022 0.000 1.198 325 R CB 0.516 30.829 30.300 0.023 0.000 1.114 325 R HN 0.949 nan 8.270 nan 0.000 0.550 326 G N 0.702 109.511 108.800 0.015 0.000 2.544 326 G HA2 0.308 4.268 3.960 0.000 0.000 0.242 326 G HA3 0.308 4.268 3.960 0.000 0.000 0.242 326 G C -0.517 174.364 174.900 -0.032 0.000 1.247 326 G CA -0.468 44.639 45.100 0.013 0.000 0.840 326 G HN 0.264 nan 8.290 nan 0.000 0.578 327 L N 0.730 121.930 121.223 -0.038 0.000 2.333 327 L HA 0.514 4.855 4.340 0.000 0.000 0.269 327 L C -1.015 175.768 176.870 -0.145 0.000 1.010 327 L CA -0.972 53.786 54.840 -0.137 0.000 0.818 327 L CB 2.418 44.442 42.059 -0.058 0.000 1.306 327 L HN 0.317 nan 8.230 nan 0.000 0.430 328 D N 1.653 121.904 120.400 -0.248 0.000 2.736 328 D HA 0.427 5.067 4.640 0.000 0.000 0.243 328 D C -1.084 175.139 176.300 -0.129 0.000 1.304 328 D CA -0.087 53.822 54.000 -0.151 0.000 0.934 328 D CB 2.677 43.400 40.800 -0.128 0.000 1.382 328 D HN -0.009 nan 8.370 nan 0.000 0.571 329 V N 3.481 123.382 119.914 -0.020 0.000 2.448 329 V HA 0.591 4.712 4.120 0.000 0.000 0.295 329 V C 0.021 176.149 176.094 0.056 0.000 1.025 329 V CA -0.643 61.699 62.300 0.070 0.000 0.859 329 V CB 1.807 33.697 31.823 0.111 0.000 0.988 329 V HN 0.309 nan 8.190 nan 0.000 0.431 330 R N 2.366 122.912 120.500 0.076 0.000 2.795 330 R HA 0.749 5.089 4.340 0.000 0.000 0.275 330 R C -1.051 175.286 176.300 0.060 0.000 0.981 330 R CA -0.686 55.446 56.100 0.053 0.000 0.917 330 R CB 2.332 32.657 30.300 0.040 0.000 1.202 330 R HN 0.660 nan 8.270 nan 0.000 0.469 331 T N -0.115 114.464 114.554 0.042 0.000 2.965 331 T HA 0.445 4.795 4.350 0.000 0.000 0.306 331 T C 0.098 174.814 174.700 0.027 0.000 0.991 331 T CA -0.292 61.830 62.100 0.038 0.000 1.001 331 T CB 1.485 70.373 68.868 0.033 0.000 0.984 331 T HN 0.813 nan 8.240 nan 0.000 0.446 332 G N 1.914 110.730 108.800 0.027 0.000 2.470 332 G HA2 -0.185 3.775 3.960 0.000 0.000 0.286 332 G HA3 -0.185 3.775 3.960 0.000 0.000 0.286 332 G C 0.419 175.326 174.900 0.012 0.000 1.115 332 G CA -0.117 44.993 45.100 0.018 0.000 1.122 332 G HN 0.740 nan 8.290 nan 0.000 0.522 333 V N 0.071 119.993 119.914 0.014 0.000 3.623 333 V HA 0.277 4.397 4.120 0.000 0.000 0.271 333 V C 1.315 177.409 176.094 0.000 0.000 1.248 333 V CA 1.007 63.312 62.300 0.008 0.000 1.156 333 V CB -0.178 31.653 31.823 0.013 0.000 0.870 333 V HN 0.526 nan 8.190 nan 0.000 0.453 334 L N 2.504 123.726 121.223 -0.003 0.000 2.385 334 L HA 0.519 4.859 4.340 0.000 0.000 0.273 334 L C -2.538 174.320 176.870 -0.020 0.000 0.990 334 L CA -1.664 53.168 54.840 -0.013 0.000 0.821 334 L CB 2.641 44.691 42.059 -0.016 0.000 1.279 334 L HN 0.013 nan 8.230 nan 0.000 0.412 335 P HA 0.344 nan 4.420 nan 0.000 0.282 335 P C -0.453 176.821 177.300 -0.044 0.000 1.249 335 P CA -0.305 62.778 63.100 -0.029 0.000 0.806 335 P CB 1.396 33.081 31.700 -0.024 0.000 0.984 336 R N -2.421 118.043 120.500 -0.059 0.000 3.822 336 R HA -0.067 4.273 4.340 0.000 0.000 0.366 336 R C 0.075 176.294 176.300 -0.135 0.000 1.137 336 R CA 0.736 56.784 56.100 -0.086 0.000 0.933 336 R CB -2.947 27.315 30.300 -0.064 0.000 1.522 336 R HN 0.707 nan 8.270 nan 0.000 0.519 337 T N -2.295 112.172 114.554 -0.145 0.000 2.901 337 T HA 0.565 4.915 4.350 0.000 0.000 0.293 337 T C 1.170 175.749 174.700 -0.202 0.000 1.084 337 T CA -0.468 61.515 62.100 -0.194 0.000 1.008 337 T CB 1.360 70.180 68.868 -0.080 0.000 1.170 337 T HN 0.297 nan 8.240 nan 0.000 0.509 338 H N 1.236 120.309 119.070 0.004 0.000 2.317 338 H HA 0.374 4.930 4.556 0.000 0.000 0.304 338 H C 1.220 176.551 175.328 0.004 0.000 1.067 338 H CA 0.893 56.943 56.048 0.004 0.000 1.352 338 H CB 0.204 29.971 29.762 0.009 0.000 1.398 338 H HN 0.629 nan 8.280 nan 0.000 0.510 339 G N -0.991 107.883 108.800 0.123 0.000 2.682 339 G HA2 0.539 4.499 3.960 0.000 0.000 0.300 339 G HA3 0.539 4.499 3.960 0.000 0.000 0.300 339 G C -1.137 173.788 174.900 0.042 0.000 1.391 339 G CA -0.451 44.691 45.100 0.069 0.000 0.990 339 G HN 0.165 nan 8.290 nan 0.000 0.501 340 S N -1.197 114.523 115.700 0.034 0.000 2.541 340 S HA 0.899 5.369 4.470 0.000 0.000 0.271 340 S C -0.598 174.026 174.600 0.041 0.000 1.133 340 S CA -0.104 58.114 58.200 0.030 0.000 0.876 340 S CB 1.958 65.169 63.200 0.019 0.000 1.105 340 S HN 1.725 nan 8.310 nan 0.000 0.470 341 A N 1.435 124.286 122.820 0.052 0.000 2.574 341 A HA 0.825 5.145 4.320 0.000 0.000 0.297 341 A C -2.060 175.580 177.584 0.094 0.000 1.062 341 A CA -0.539 51.544 52.037 0.077 0.000 0.686 341 A CB 1.427 20.480 19.000 0.089 0.000 1.285 341 A HN 0.747 nan 8.150 nan 0.000 0.403 342 L N 1.907 123.196 121.223 0.110 0.000 2.442 342 L HA 0.682 5.022 4.340 0.000 0.000 0.261 342 L C -1.673 175.292 176.870 0.157 0.000 1.000 342 L CA -0.299 54.608 54.840 0.111 0.000 0.882 342 L CB 0.562 42.656 42.059 0.059 0.000 1.207 342 L HN 0.614 nan 8.230 nan 0.000 0.443 343 F N 3.491 123.467 119.950 0.043 0.000 2.415 343 F HA 0.744 5.271 4.527 0.000 0.000 0.348 343 F C -0.213 175.616 175.800 0.048 0.000 1.119 343 F CA 0.016 58.045 58.000 0.048 0.000 1.069 343 F CB 1.427 40.464 39.000 0.061 0.000 1.124 343 F HN 0.471 nan 8.300 nan 0.000 0.472 344 T N 6.537 120.740 114.554 -0.585 0.000 2.881 344 T HA 0.340 4.690 4.350 0.000 0.000 0.291 344 T C -0.623 173.730 174.700 -0.577 0.000 0.990 344 T CA -0.697 61.166 62.100 -0.395 0.000 0.976 344 T CB 1.262 70.017 68.868 -0.188 0.000 0.970 344 T HN 0.620 nan 8.240 nan 0.000 0.438 345 R N 2.374 122.670 120.500 -0.340 0.000 2.423 345 R HA 0.522 4.862 4.340 0.000 0.000 0.293 345 R C 1.168 177.434 176.300 -0.058 0.000 1.196 345 R CA 0.574 56.561 56.100 -0.189 0.000 1.262 345 R CB -0.480 29.827 30.300 0.012 0.000 1.116 345 R HN 1.022 nan 8.270 nan 0.000 0.566 346 G N 3.341 112.102 108.800 -0.065 0.000 4.163 346 G HA2 -0.404 3.556 3.960 0.000 0.000 0.300 346 G HA3 -0.404 3.556 3.960 0.000 0.000 0.300 346 G C 0.262 175.149 174.900 -0.021 0.000 1.488 346 G CA 0.488 45.574 45.100 -0.023 0.000 1.052 346 G HN 0.642 nan 8.290 nan 0.000 0.687 347 E N -0.236 119.963 120.200 -0.001 0.000 2.876 347 E HA 0.460 4.811 4.350 0.000 0.000 0.208 347 E C 0.161 176.768 176.600 0.013 0.000 0.981 347 E CA 0.551 56.951 56.400 0.001 0.000 1.174 347 E CB 0.812 30.516 29.700 0.007 0.000 1.047 347 E HN 0.549 nan 8.360 nan 0.000 0.477 348 T N 0.422 114.990 114.554 0.023 0.000 2.807 348 T HA 0.278 4.629 4.350 0.000 0.000 0.279 348 T C -1.258 173.473 174.700 0.053 0.000 0.993 348 T CA -0.363 61.768 62.100 0.053 0.000 0.970 348 T CB 1.763 70.688 68.868 0.094 0.000 0.950 348 T HN 0.263 nan 8.240 nan 0.000 0.441 349 Q N 2.762 122.600 119.800 0.063 0.000 2.375 349 Q HA 0.748 5.088 4.340 0.000 0.000 0.271 349 Q C -1.732 174.336 176.000 0.114 0.000 1.074 349 Q CA -1.000 54.844 55.803 0.070 0.000 0.808 349 Q CB 1.916 30.675 28.738 0.036 0.000 1.327 349 Q HN 0.802 nan 8.270 nan 0.000 0.441 350 A N 3.864 126.783 122.820 0.164 0.000 2.457 350 A HA 0.426 4.746 4.320 0.000 0.000 0.283 350 A C -1.688 175.986 177.584 0.150 0.000 1.166 350 A CA -0.562 51.577 52.037 0.170 0.000 0.740 350 A CB 0.831 19.977 19.000 0.243 0.000 1.181 350 A HN 0.647 nan 8.150 nan 0.000 0.446 351 L N 4.109 125.388 121.223 0.094 0.000 2.295 351 L HA 0.583 4.923 4.340 0.000 0.000 0.288 351 L C -0.872 176.036 176.870 0.063 0.000 1.079 351 L CA 0.155 55.040 54.840 0.076 0.000 0.830 351 L CB 0.866 42.956 42.059 0.053 0.000 1.200 351 L HN 0.383 nan 8.230 nan 0.000 0.438 352 V N 4.027 123.983 119.914 0.070 0.000 2.417 352 V HA 0.624 4.744 4.120 0.000 0.000 0.291 352 V C 0.171 176.276 176.094 0.018 0.000 1.024 352 V CA -0.352 61.974 62.300 0.043 0.000 0.861 352 V CB 1.837 33.703 31.823 0.072 0.000 0.985 352 V HN 0.856 nan 8.190 nan 0.000 0.436 353 T N 1.720 116.265 114.554 -0.015 0.000 2.863 353 T HA 0.875 5.225 4.350 0.000 0.000 0.285 353 T C -0.402 174.281 174.700 -0.027 0.000 1.009 353 T CA -0.648 61.447 62.100 -0.008 0.000 0.989 353 T CB 2.009 70.875 68.868 -0.003 0.000 1.004 353 T HN 0.977 nan 8.240 nan 0.000 0.455 354 A N 2.241 125.070 122.820 0.015 0.000 2.342 354 A HA 0.781 5.101 4.320 0.000 0.000 0.323 354 A C -0.032 177.612 177.584 0.100 0.000 1.125 354 A CA -0.832 51.221 52.037 0.028 0.000 0.785 354 A CB 1.079 20.107 19.000 0.047 0.000 1.221 354 A HN 0.899 nan 8.150 nan 0.000 0.463 355 T N 2.682 117.287 114.554 0.085 0.000 2.848 355 T HA 0.557 4.907 4.350 0.000 0.000 0.285 355 T C -0.502 174.199 174.700 0.002 0.000 0.995 355 T CA -0.232 61.966 62.100 0.163 0.000 0.970 355 T CB 0.899 69.856 68.868 0.148 0.000 0.976 355 T HN 0.474 nan 8.240 nan 0.000 0.441 356 L N 2.274 123.333 121.223 -0.273 0.000 2.322 356 L HA 0.863 5.203 4.340 0.000 0.000 0.279 356 L C 0.736 177.516 176.870 -0.150 0.000 1.036 356 L CA -0.344 54.345 54.840 -0.252 0.000 0.807 356 L CB 1.582 43.396 42.059 -0.409 0.000 1.226 356 L HN 0.890 nan 8.230 nan 0.000 0.433 357 G N 0.019 108.837 108.800 0.031 0.000 2.645 357 G HA2 0.554 4.514 3.960 0.000 0.000 0.292 357 G HA3 0.554 4.514 3.960 0.000 0.000 0.292 357 G C -0.868 174.082 174.900 0.083 0.000 1.415 357 G CA -0.316 44.822 45.100 0.064 0.000 0.785 357 G HN 0.516 nan 8.290 nan 0.000 0.483 358 T N -2.102 112.453 114.554 0.001 0.000 2.810 358 T HA 0.537 4.887 4.350 0.000 0.000 0.277 358 T C 1.764 176.411 174.700 -0.089 0.000 0.973 358 T CA 0.610 62.644 62.100 -0.110 0.000 0.949 358 T CB 1.387 70.192 68.868 -0.105 0.000 1.075 358 T HN 1.379 nan 8.240 nan 0.000 0.537 359 A N -0.256 122.488 122.820 -0.127 0.000 2.121 359 A HA 0.001 4.321 4.320 0.000 0.000 0.218 359 A C 2.413 179.972 177.584 -0.043 0.000 1.154 359 A CA 1.305 53.294 52.037 -0.079 0.000 0.679 359 A CB -0.891 18.053 19.000 -0.093 0.000 0.795 359 A HN 0.910 nan 8.150 nan 0.000 0.458 360 R N 0.180 120.654 120.500 -0.043 0.000 2.092 360 R HA -0.101 4.240 4.340 0.000 0.000 0.231 360 R C -0.361 175.935 176.300 -0.007 0.000 1.119 360 R CA 1.443 57.529 56.100 -0.022 0.000 0.970 360 R CB -0.077 30.209 30.300 -0.023 0.000 0.864 360 R HN 0.293 nan 8.270 nan 0.000 0.440 361 D N 0.872 121.270 120.400 -0.003 0.000 2.741 361 D HA 0.232 4.872 4.640 0.000 0.000 0.233 361 D C -1.105 175.206 176.300 0.018 0.000 1.160 361 D CA 0.218 54.225 54.000 0.012 0.000 1.003 361 D CB 1.008 41.820 40.800 0.019 0.000 1.064 361 D HN 0.293 nan 8.370 nan 0.000 0.503 362 A N 1.160 123.990 122.820 0.018 0.000 2.435 362 A HA 0.432 4.753 4.320 0.000 0.000 0.304 362 A C -0.220 177.383 177.584 0.032 0.000 1.064 362 A CA -0.791 51.262 52.037 0.026 0.000 0.727 362 A CB 1.870 20.882 19.000 0.020 0.000 1.284 362 A HN 0.221 nan 8.150 nan 0.000 0.415 363 Q N 1.100 120.924 119.800 0.041 0.000 2.296 363 Q HA 0.455 4.795 4.340 0.000 0.000 0.262 363 Q C -1.224 174.801 176.000 0.042 0.000 0.981 363 Q CA -0.123 55.708 55.803 0.046 0.000 0.905 363 Q CB 0.676 29.448 28.738 0.058 0.000 1.186 363 Q HN 0.508 nan 8.270 nan 0.000 0.399 364 V N 6.918 126.855 119.914 0.039 0.000 2.277 364 V HA 0.214 4.335 4.120 0.000 0.000 0.269 364 V C -0.061 176.057 176.094 0.040 0.000 1.036 364 V CA -0.471 61.850 62.300 0.036 0.000 0.821 364 V CB 0.533 32.374 31.823 0.030 0.000 1.052 364 V HN 0.747 nan 8.190 nan 0.000 0.462 365 L N 3.767 125.015 121.223 0.042 0.000 2.315 365 L HA 0.304 4.645 4.340 0.000 0.000 0.283 365 L C 0.445 177.339 176.870 0.039 0.000 1.089 365 L CA -0.150 54.716 54.840 0.044 0.000 0.833 365 L CB 0.574 42.661 42.059 0.047 0.000 1.170 365 L HN 0.539 nan 8.230 nan 0.000 0.442 366 D N 3.847 124.270 120.400 0.039 0.000 2.558 366 D HA 0.051 4.691 4.640 0.000 0.000 0.221 366 D C 0.226 176.545 176.300 0.032 0.000 1.143 366 D CA -0.074 53.946 54.000 0.034 0.000 1.010 366 D CB 0.328 41.150 40.800 0.036 0.000 1.068 366 D HN 0.466 nan 8.370 nan 0.000 0.511 367 E N 1.787 122.005 120.200 0.031 0.000 2.312 367 E HA 0.109 4.460 4.350 0.000 0.000 0.259 367 E C 0.834 177.446 176.600 0.020 0.000 1.122 367 E CA -0.737 55.681 56.400 0.030 0.000 0.922 367 E CB 1.063 30.784 29.700 0.035 0.000 1.109 367 E HN 0.294 nan 8.360 nan 0.000 0.442 368 L N 2.726 123.959 121.223 0.017 0.000 2.141 368 L HA -0.090 4.250 4.340 0.000 0.000 0.209 368 L C 2.020 178.892 176.870 0.003 0.000 1.094 368 L CA 1.723 56.564 54.840 0.000 0.000 0.763 368 L CB -0.223 41.831 42.059 -0.008 0.000 0.908 368 L HN 0.783 nan 8.230 nan 0.000 0.437 369 M N -1.430 118.179 119.600 0.015 0.000 2.132 369 M HA 0.122 4.602 4.480 0.000 0.000 0.263 369 M C 1.125 177.433 176.300 0.013 0.000 1.065 369 M CA 1.319 56.628 55.300 0.014 0.000 1.122 369 M CB -0.251 32.361 32.600 0.020 0.000 1.365 369 M HN 0.496 nan 8.290 nan 0.000 0.411 370 G N -0.979 107.831 108.800 0.017 0.000 2.393 370 G HA2 0.100 4.060 3.960 0.000 0.000 0.264 370 G HA3 0.100 4.060 3.960 0.000 0.000 0.264 370 G C -1.727 173.185 174.900 0.020 0.000 1.221 370 G CA -0.745 44.365 45.100 0.017 0.000 0.912 370 G HN 0.185 nan 8.290 nan 0.000 0.483 371 E N 0.121 120.333 120.200 0.020 0.000 2.146 371 E HA 0.605 4.956 4.350 0.000 0.000 0.282 371 E C -0.393 176.222 176.600 0.025 0.000 0.989 371 E CA -0.613 55.801 56.400 0.023 0.000 0.799 371 E CB 1.038 30.750 29.700 0.020 0.000 1.088 371 E HN 0.467 nan 8.360 nan 0.000 0.397 372 R N 2.565 123.082 120.500 0.029 0.000 2.534 372 R HA 0.302 4.642 4.340 0.000 0.000 0.301 372 R C -1.401 174.921 176.300 0.036 0.000 0.961 372 R CA -0.462 55.657 56.100 0.033 0.000 0.871 372 R CB 1.972 32.294 30.300 0.037 0.000 1.170 372 R HN 0.414 nan 8.270 nan 0.000 0.446 373 T N 2.397 116.972 114.554 0.036 0.000 2.779 373 T HA 0.434 4.784 4.350 0.000 0.000 0.280 373 T C -1.118 173.611 174.700 0.049 0.000 0.987 373 T CA -0.670 61.453 62.100 0.038 0.000 0.966 373 T CB 0.561 69.447 68.868 0.029 0.000 0.933 373 T HN 0.535 nan 8.240 nan 0.000 0.442 374 D N 3.488 123.921 120.400 0.054 0.000 2.193 374 D HA 0.406 5.046 4.640 0.000 0.000 0.244 374 D C 0.782 177.129 176.300 0.078 0.000 1.064 374 D CA -0.354 53.689 54.000 0.072 0.000 0.845 374 D CB 2.120 42.960 40.800 0.067 0.000 1.148 374 D HN 0.567 nan 8.370 nan 0.000 0.464 375 T N 0.767 115.389 114.554 0.114 0.000 3.045 375 T HA 0.054 4.404 4.350 0.000 0.000 0.239 375 T C 0.536 175.352 174.700 0.193 0.000 1.008 375 T CA 0.068 62.247 62.100 0.132 0.000 1.143 375 T CB 0.070 69.021 68.868 0.139 0.000 0.894 375 T HN 0.300 nan 8.240 nan 0.000 0.451 376 F N 2.684 122.676 119.950 0.070 0.000 2.411 376 F HA 0.588 5.115 4.527 0.001 0.000 0.355 376 F C -0.974 174.863 175.800 0.062 0.000 1.117 376 F CA -1.572 56.476 58.000 0.080 0.000 1.139 376 F CB 0.315 39.371 39.000 0.095 0.000 1.120 376 F HN -0.036 nan 8.300 nan 0.000 0.493 377 L N 7.267 128.151 121.223 -0.565 0.000 2.341 377 L HA 0.483 4.823 4.340 0.000 0.000 0.278 377 L C -1.258 175.155 176.870 -0.761 0.000 1.005 377 L CA -0.704 53.833 54.840 -0.504 0.000 0.818 377 L CB 1.934 43.832 42.059 -0.269 0.000 1.259 377 L HN 0.593 nan 8.230 nan 0.000 0.418 378 F N 2.300 121.820 119.950 -0.716 0.000 2.547 378 F HA 0.520 5.047 4.527 0.000 0.000 0.316 378 F C -0.445 175.048 175.800 -0.511 0.000 1.121 378 F CA -0.466 57.229 58.000 -0.509 0.000 0.911 378 F CB 1.392 40.246 39.000 -0.242 0.000 1.179 378 F HN 0.407 nan 8.300 nan 0.000 0.443 379 H N 4.556 123.735 119.070 0.182 0.000 2.600 379 H HA 0.227 4.784 4.556 0.001 0.000 0.357 379 H C -1.775 173.760 175.328 0.345 0.000 1.106 379 H CA -0.685 55.496 56.048 0.222 0.000 1.193 379 H CB 2.301 32.104 29.762 0.068 0.000 1.594 379 H HN 0.648 nan 8.280 nan 0.000 0.526 380 Y N 3.082 123.586 120.300 0.340 0.000 2.338 380 Y HA 0.253 4.804 4.550 0.000 0.000 0.328 380 Y C -0.933 175.103 175.900 0.227 0.000 0.965 380 Y CA -0.701 57.572 58.100 0.288 0.000 1.208 380 Y CB 0.733 39.358 38.460 0.276 0.000 1.132 380 Y HN 0.484 nan 8.280 nan 0.000 0.469 381 N N 6.386 124.988 118.700 -0.164 0.000 2.408 381 N HA 0.224 4.964 4.740 0.000 0.000 0.280 381 N C -1.779 173.578 175.510 -0.255 0.000 1.002 381 N CA -0.339 52.642 53.050 -0.115 0.000 0.907 381 N CB 1.440 39.889 38.487 -0.063 0.000 1.161 381 N HN 0.633 nan 8.380 nan 0.000 0.488 382 F N 4.050 123.867 119.950 -0.222 0.000 2.363 382 F HA 0.441 4.968 4.527 0.000 0.000 0.366 382 F C -2.195 173.499 175.800 -0.178 0.000 1.083 382 F CA -1.959 55.925 58.000 -0.194 0.000 1.176 382 F CB 0.838 39.858 39.000 0.033 0.000 1.432 382 F HN 0.293 nan 8.300 nan 0.000 0.482 383 P HA 0.280 nan 4.420 nan 0.000 0.277 383 P C -2.192 174.678 177.300 -0.716 0.000 1.240 383 P CA -1.491 61.243 63.100 -0.609 0.000 0.798 383 P CB 0.569 31.669 31.700 -1.000 0.000 0.979 384 P HA -0.156 nan 4.420 nan 0.000 0.217 384 P C 1.199 178.349 177.300 -0.251 0.000 1.151 384 P CA 1.370 64.325 63.100 -0.241 0.000 0.828 384 P CB -0.419 31.240 31.700 -0.069 0.000 0.788 385 Y N 0.296 120.512 120.300 -0.140 0.000 2.749 385 Y HA 0.043 4.593 4.550 0.000 0.000 0.321 385 Y C 1.910 177.715 175.900 -0.157 0.000 1.195 385 Y CA 0.499 58.526 58.100 -0.121 0.000 1.338 385 Y CB -1.408 36.995 38.460 -0.095 0.000 1.017 385 Y HN -0.004 nan 8.280 nan 0.000 0.517 386 S N -0.038 115.384 115.700 -0.464 0.000 2.456 386 S HA -0.077 4.393 4.470 0.000 0.000 0.224 386 S C 1.428 175.894 174.600 -0.224 0.000 1.035 386 S CA 0.533 58.487 58.200 -0.409 0.000 0.940 386 S CB -0.545 62.192 63.200 -0.772 0.000 0.799 386 S HN 0.459 nan 8.310 nan 0.000 0.508 387 V N -2.378 117.413 119.914 -0.205 0.000 3.578 387 V HA 0.676 4.796 4.120 0.000 0.000 0.290 387 V C 1.206 177.243 176.094 -0.095 0.000 1.376 387 V CA -0.063 62.166 62.300 -0.118 0.000 1.083 387 V CB -0.724 31.061 31.823 -0.064 0.000 0.911 387 V HN 0.867 nan 8.190 nan 0.000 0.433 388 G N 0.113 108.874 108.800 -0.064 0.000 2.325 388 G HA2 -0.188 3.772 3.960 0.000 0.000 0.248 388 G HA3 -0.188 3.772 3.960 0.000 0.000 0.248 388 G C -0.310 174.578 174.900 -0.019 0.000 1.108 388 G CA 0.439 45.521 45.100 -0.029 0.000 0.881 388 G HN 0.737 nan 8.290 nan 0.000 0.494 389 E N -0.946 119.244 120.200 -0.016 0.000 2.450 389 E HA 0.792 5.142 4.350 0.000 0.000 0.272 389 E C 0.126 176.732 176.600 0.009 0.000 0.967 389 E CA -0.285 56.115 56.400 -0.001 0.000 0.818 389 E CB 1.680 31.381 29.700 0.001 0.000 1.401 389 E HN 0.448 nan 8.360 nan 0.000 0.450 390 T N -1.526 113.036 114.554 0.014 0.000 2.887 390 T HA 0.874 5.224 4.350 0.000 0.000 0.288 390 T C -0.030 174.681 174.700 0.018 0.000 1.021 390 T CA -0.464 61.648 62.100 0.019 0.000 1.000 390 T CB 1.705 70.585 68.868 0.019 0.000 1.034 390 T HN 0.625 nan 8.240 nan 0.000 0.467 391 G N 2.017 110.829 108.800 0.020 0.000 2.387 391 G HA2 0.458 4.419 3.960 0.000 0.000 0.294 391 G HA3 0.458 4.419 3.960 0.000 0.000 0.294 391 G C -0.857 174.057 174.900 0.023 0.000 1.509 391 G CA -1.149 43.964 45.100 0.021 0.000 0.806 391 G HN 0.721 nan 8.290 nan 0.000 0.546 392 M N -0.260 119.354 119.600 0.023 0.000 2.219 392 M HA 0.356 4.836 4.480 0.000 0.000 0.307 392 M C 0.230 176.546 176.300 0.027 0.000 1.116 392 M CA 0.016 55.330 55.300 0.023 0.000 1.181 392 M CB 0.886 33.499 32.600 0.021 0.000 1.410 392 M HN 0.328 nan 8.290 nan 0.000 0.454 393 V N 1.458 121.388 119.914 0.026 0.000 2.629 393 V HA 0.486 4.606 4.120 0.000 0.000 0.263 393 V C 0.416 176.525 176.094 0.025 0.000 0.959 393 V CA -0.262 62.055 62.300 0.028 0.000 0.869 393 V CB 0.849 32.691 31.823 0.032 0.000 1.060 393 V HN 1.115 nan 8.190 nan 0.000 0.474 394 G N 2.444 111.259 108.800 0.026 0.000 2.844 394 G HA2 0.357 4.317 3.960 0.000 0.000 0.204 394 G HA3 0.357 4.317 3.960 0.000 0.000 0.204 394 G C 0.312 175.227 174.900 0.025 0.000 1.815 394 G CA 0.449 45.562 45.100 0.021 0.000 0.739 394 G HN 0.696 nan 8.290 nan 0.000 0.807 395 S N 2.547 118.263 115.700 0.027 0.000 2.528 395 S HA 0.504 4.974 4.470 0.000 0.000 0.277 395 S C -2.297 172.330 174.600 0.044 0.000 1.297 395 S CA -0.965 57.254 58.200 0.031 0.000 1.052 395 S CB 1.103 64.320 63.200 0.029 0.000 0.917 395 S HN 0.416 nan 8.310 nan 0.000 0.492 396 P HA 0.120 nan 4.420 nan 0.000 0.262 396 P C -0.327 177.018 177.300 0.074 0.000 1.182 396 P CA -0.096 63.050 63.100 0.078 0.000 0.761 396 P CB 0.411 32.167 31.700 0.093 0.000 0.795 397 K N 2.145 122.596 120.400 0.084 0.000 2.118 397 K HA 0.185 4.506 4.320 0.000 0.000 0.240 397 K C 1.721 178.352 176.600 0.053 0.000 1.035 397 K CA -0.513 55.813 56.287 0.065 0.000 0.899 397 K CB 0.612 33.153 32.500 0.069 0.000 1.085 397 K HN 0.288 nan 8.250 nan 0.000 0.498 398 R N 0.741 121.256 120.500 0.025 0.000 2.189 398 R HA -0.120 4.221 4.340 0.000 0.000 0.223 398 R C 2.232 178.504 176.300 -0.047 0.000 1.092 398 R CA 1.204 57.303 56.100 -0.002 0.000 0.989 398 R CB -0.047 30.249 30.300 -0.007 0.000 0.876 398 R HN 0.444 nan 8.270 nan 0.000 0.457 399 R N 1.407 121.884 120.500 -0.038 0.000 2.075 399 R HA -0.115 4.225 4.340 0.000 0.000 0.226 399 R C 2.053 178.288 176.300 -0.108 0.000 1.114 399 R CA 1.597 57.629 56.100 -0.113 0.000 0.972 399 R CB 0.126 30.402 30.300 -0.040 0.000 0.869 399 R HN 0.356 nan 8.270 nan 0.000 0.437 400 E N -0.006 120.260 120.200 0.110 0.000 2.216 400 E HA -0.135 4.215 4.350 0.000 0.000 0.192 400 E C 1.839 178.574 176.600 0.226 0.000 0.988 400 E CA 0.899 57.502 56.400 0.338 0.000 0.834 400 E CB -0.187 29.779 29.700 0.444 0.000 0.772 400 E HN 0.396 nan 8.360 nan 0.000 0.479 401 I N 1.892 122.520 120.570 0.097 0.000 2.353 401 I HA -0.096 4.074 4.170 0.000 0.000 0.248 401 I C 2.616 178.717 176.117 -0.027 0.000 1.119 401 I CA 1.189 62.532 61.300 0.071 0.000 1.417 401 I CB -0.442 37.592 38.000 0.057 0.000 1.078 401 I HN 0.259 nan 8.210 nan 0.000 0.421 402 G N -0.170 108.539 108.800 -0.151 0.000 2.432 402 G HA2 -0.231 3.729 3.960 0.000 0.000 0.219 402 G HA3 -0.231 3.729 3.960 0.000 0.000 0.219 402 G C 1.326 176.038 174.900 -0.312 0.000 1.135 402 G CA 0.710 45.658 45.100 -0.254 0.000 0.767 402 G HN 0.476 nan 8.290 nan 0.000 0.550 403 H N -0.413 118.504 119.070 -0.255 0.000 2.535 403 H HA 0.152 4.708 4.556 0.000 0.000 0.273 403 H C 2.715 177.811 175.328 -0.387 0.000 0.983 403 H CA 0.192 55.949 56.048 -0.485 0.000 1.238 403 H CB 0.338 29.479 29.762 -1.034 0.000 1.412 403 H HN 0.371 nan 8.280 nan 0.000 0.562 404 G N 0.777 109.556 108.800 -0.034 0.000 2.402 404 G HA2 -0.275 3.686 3.960 0.000 0.000 0.216 404 G HA3 -0.275 3.686 3.960 0.000 0.000 0.216 404 G C 1.770 176.648 174.900 -0.037 0.000 1.162 404 G CA 0.416 45.582 45.100 0.110 0.000 0.777 404 G HN 0.203 nan 8.290 nan 0.000 0.539 405 R N -0.017 120.448 120.500 -0.058 0.000 2.153 405 R HA 0.257 4.598 4.340 0.000 0.000 0.218 405 R C 2.375 178.594 176.300 -0.135 0.000 1.072 405 R CA 0.552 56.607 56.100 -0.075 0.000 0.990 405 R CB -0.699 29.574 30.300 -0.046 0.000 0.889 405 R HN 0.389 nan 8.270 nan 0.000 0.452 406 L N -0.406 120.724 121.223 -0.155 0.000 2.012 406 L HA -0.135 4.205 4.340 0.000 0.000 0.210 406 L C 1.949 178.684 176.870 -0.224 0.000 1.073 406 L CA 1.908 56.653 54.840 -0.159 0.000 0.748 406 L CB -0.401 41.585 42.059 -0.122 0.000 0.891 406 L HN 0.319 nan 8.230 nan 0.000 0.431 407 A N -0.965 121.643 122.820 -0.355 0.000 2.067 407 A HA -0.189 4.131 4.320 0.000 0.000 0.217 407 A C 2.309 179.416 177.584 -0.796 0.000 1.156 407 A CA 1.409 53.110 52.037 -0.560 0.000 0.683 407 A CB -0.362 18.238 19.000 -0.667 0.000 0.808 407 A HN 0.446 nan 8.150 nan 0.000 0.455 408 K N -0.140 119.870 120.400 -0.650 0.000 2.062 408 K HA -0.060 4.260 4.320 0.000 0.000 0.205 408 K C 2.100 178.674 176.600 -0.044 0.000 1.051 408 K CA 1.001 57.168 56.287 -0.200 0.000 0.941 408 K CB -0.137 32.374 32.500 0.019 0.000 0.719 408 K HN 0.399 nan 8.250 nan 0.000 0.440 409 R N -0.593 119.847 120.500 -0.100 0.000 2.189 409 R HA -0.042 4.298 4.340 0.000 0.000 0.223 409 R C 2.178 178.425 176.300 -0.088 0.000 1.092 409 R CA 1.032 57.089 56.100 -0.073 0.000 0.989 409 R CB -0.109 30.148 30.300 -0.072 0.000 0.876 409 R HN 0.299 nan 8.270 nan 0.000 0.457 410 G N -0.253 108.480 108.800 -0.113 0.000 2.572 410 G HA2 -0.072 3.888 3.960 0.000 0.000 0.216 410 G HA3 -0.072 3.888 3.960 0.000 0.000 0.216 410 G C 1.200 176.051 174.900 -0.082 0.000 1.133 410 G CA 0.235 45.278 45.100 -0.094 0.000 0.791 410 G HN 0.128 nan 8.290 nan 0.000 0.538 411 V N -0.156 119.708 119.914 -0.084 0.000 3.379 411 V HA 0.158 4.278 4.120 0.000 0.000 0.249 411 V C 2.282 178.217 176.094 -0.264 0.000 1.184 411 V CA 0.149 62.386 62.300 -0.104 0.000 1.106 411 V CB 0.398 32.259 31.823 0.064 0.000 0.826 411 V HN 0.263 nan 8.190 nan 0.000 0.465 412 L N 1.611 122.682 121.223 -0.254 0.000 2.129 412 L HA -0.150 4.191 4.340 0.000 0.000 0.212 412 L C 2.429 179.183 176.870 -0.193 0.000 1.087 412 L CA 2.394 57.064 54.840 -0.283 0.000 0.757 412 L CB -0.561 41.430 42.059 -0.113 0.000 0.896 412 L HN 0.277 nan 8.230 nan 0.000 0.434 413 A N -1.712 121.028 122.820 -0.134 0.000 1.969 413 A HA -0.082 4.238 4.320 0.000 0.000 0.218 413 A C 2.146 179.669 177.584 -0.102 0.000 1.169 413 A CA 1.655 53.634 52.037 -0.096 0.000 0.635 413 A CB -0.714 18.241 19.000 -0.074 0.000 0.810 413 A HN 0.291 nan 8.150 nan 0.000 0.445 414 V N 0.099 119.938 119.914 -0.125 0.000 2.649 414 V HA -0.044 4.076 4.120 0.000 0.000 0.248 414 V C 1.171 177.185 176.094 -0.135 0.000 1.054 414 V CA 0.420 62.653 62.300 -0.113 0.000 1.073 414 V CB -0.769 30.994 31.823 -0.100 0.000 0.699 414 V HN 0.457 nan 8.190 nan 0.000 0.463 415 M N 2.324 121.802 119.600 -0.203 0.000 2.261 415 M HA 0.141 4.621 4.480 0.000 0.000 0.350 415 M C -2.015 174.221 176.300 -0.106 0.000 1.343 415 M CA -1.655 53.521 55.300 -0.206 0.000 1.003 415 M CB -0.299 32.079 32.600 -0.370 0.000 1.848 415 M HN 0.103 nan 8.290 nan 0.000 0.456 416 P HA 0.102 nan 4.420 nan 0.000 0.272 416 P C -0.774 176.557 177.300 0.051 0.000 1.240 416 P CA -0.401 62.688 63.100 -0.018 0.000 0.791 416 P CB 0.304 31.975 31.700 -0.048 0.000 0.978 417 D N 0.793 121.228 120.400 0.059 0.000 2.398 417 D HA 0.032 4.672 4.640 0.000 0.000 0.247 417 D C 1.387 177.757 176.300 0.117 0.000 1.227 417 D CA -0.321 53.722 54.000 0.072 0.000 0.980 417 D CB 0.230 41.059 40.800 0.047 0.000 1.106 417 D HN 0.115 nan 8.370 nan 0.000 0.493 418 M N 0.090 119.743 119.600 0.088 0.000 2.254 418 M HA -0.084 4.396 4.480 0.000 0.000 0.265 418 M C 0.893 177.233 176.300 0.066 0.000 1.066 418 M CA 1.050 56.397 55.300 0.079 0.000 1.123 418 M CB -0.691 31.937 32.600 0.046 0.000 1.388 418 M HN 0.424 nan 8.290 nan 0.000 0.425 419 D N 0.603 121.040 120.400 0.061 0.000 2.117 419 D HA -0.103 4.537 4.640 0.000 0.000 0.198 419 D C 1.863 178.207 176.300 0.073 0.000 0.982 419 D CA 1.234 55.264 54.000 0.050 0.000 0.828 419 D CB -0.066 40.757 40.800 0.039 0.000 0.967 419 D HN 0.353 nan 8.370 nan 0.000 0.464 420 K N -1.185 119.280 120.400 0.109 0.000 2.361 420 K HA 0.058 4.378 4.320 0.000 0.000 0.196 420 K C 0.003 176.765 176.600 0.271 0.000 1.039 420 K CA 0.044 56.417 56.287 0.145 0.000 1.001 420 K CB 0.686 33.255 32.500 0.114 0.000 0.795 420 K HN 0.011 nan 8.250 nan 0.000 0.495 421 F N 2.146 122.138 119.950 0.070 0.000 2.902 421 F HA 0.244 4.771 4.527 0.001 0.000 0.368 421 F C -2.680 173.198 175.800 0.130 0.000 1.202 421 F CA -2.628 55.449 58.000 0.128 0.000 1.109 421 F CB 1.696 40.762 39.000 0.110 0.000 1.418 421 F HN -0.186 nan 8.300 nan 0.000 0.527 422 P HA 0.221 nan 4.420 nan 0.000 0.208 422 P C -1.569 175.375 177.300 -0.593 0.000 1.837 422 P CA 0.114 63.037 63.100 -0.295 0.000 0.953 422 P CB -0.439 31.097 31.700 -0.274 0.000 1.870 423 Y N -0.331 119.651 120.300 -0.530 0.000 2.477 423 Y HA 0.382 4.932 4.550 0.000 0.000 0.347 423 Y C 0.889 176.712 175.900 -0.128 0.000 0.981 423 Y CA -0.652 57.191 58.100 -0.429 0.000 1.033 423 Y CB 1.889 39.894 38.460 -0.758 0.000 1.245 423 Y HN -0.121 nan 8.280 nan 0.000 0.455 424 T N 0.150 114.756 114.554 0.087 0.000 2.771 424 T HA 0.647 4.997 4.350 0.000 0.000 0.291 424 T C -0.649 174.134 174.700 0.139 0.000 0.954 424 T CA -0.648 61.519 62.100 0.111 0.000 1.045 424 T CB 0.561 69.462 68.868 0.054 0.000 0.917 424 T HN 0.316 nan 8.240 nan 0.000 0.484 425 V N 4.100 124.118 119.914 0.174 0.000 2.417 425 V HA 0.552 4.672 4.120 0.000 0.000 0.291 425 V C 0.295 176.366 176.094 -0.037 0.000 1.024 425 V CA -1.013 61.369 62.300 0.136 0.000 0.861 425 V CB 1.409 33.406 31.823 0.289 0.000 0.985 425 V HN 0.948 nan 8.190 nan 0.000 0.436 426 R N 3.536 123.999 120.500 -0.063 0.000 2.343 426 R HA 0.728 5.068 4.340 0.000 0.000 0.320 426 R C -1.631 174.551 176.300 -0.196 0.000 0.956 426 R CA -0.373 55.641 56.100 -0.143 0.000 0.836 426 R CB 1.719 32.009 30.300 -0.017 0.000 1.151 426 R HN 0.569 nan 8.270 nan 0.000 0.450 427 V N 5.395 125.057 119.914 -0.420 0.000 2.409 427 V HA 0.382 4.503 4.120 0.000 0.000 0.291 427 V C -0.434 175.340 176.094 -0.533 0.000 1.020 427 V CA -0.798 61.173 62.300 -0.549 0.000 0.848 427 V CB 1.757 33.015 31.823 -0.941 0.000 0.990 427 V HN 0.486 nan 8.190 nan 0.000 0.430 428 V N 3.477 123.227 119.914 -0.274 0.000 2.417 428 V HA 0.458 4.579 4.120 0.000 0.000 0.291 428 V C 0.247 176.292 176.094 -0.081 0.000 1.024 428 V CA -0.312 61.924 62.300 -0.106 0.000 0.861 428 V CB 1.897 33.709 31.823 -0.017 0.000 0.985 428 V HN 0.853 nan 8.190 nan 0.000 0.436 429 S N 4.093 119.804 115.700 0.018 0.000 2.420 429 S HA 0.390 4.860 4.470 0.000 0.000 0.313 429 S C -0.359 174.222 174.600 -0.032 0.000 1.079 429 S CA -0.626 57.620 58.200 0.077 0.000 1.104 429 S CB 0.298 63.687 63.200 0.315 0.000 0.969 429 S HN 0.696 nan 8.310 nan 0.000 0.471 430 E N 4.668 124.856 120.200 -0.021 0.000 2.073 430 E HA 0.259 4.610 4.350 0.000 0.000 0.269 430 E C -0.292 176.274 176.600 -0.057 0.000 0.917 430 E CA -0.612 55.759 56.400 -0.049 0.000 0.757 430 E CB 0.767 30.472 29.700 0.008 0.000 1.111 430 E HN 0.566 nan 8.360 nan 0.000 0.410 431 I N 2.979 123.451 120.570 -0.164 0.000 2.436 431 I HA 0.016 4.186 4.170 0.000 0.000 0.289 431 I C 1.362 177.374 176.117 -0.174 0.000 1.083 431 I CA 0.300 61.510 61.300 -0.149 0.000 1.372 431 I CB 0.330 38.215 38.000 -0.192 0.000 1.408 431 I HN 0.292 nan 8.210 nan 0.000 0.516 432 T N 5.200 119.731 114.554 -0.038 0.000 3.039 432 T HA 0.147 4.497 4.350 0.000 0.000 0.250 432 T C 0.561 175.262 174.700 0.002 0.000 1.052 432 T CA 0.451 62.581 62.100 0.050 0.000 1.125 432 T CB 0.410 69.329 68.868 0.084 0.000 0.908 432 T HN 0.537 nan 8.240 nan 0.000 0.473 433 E N 0.407 120.594 120.200 -0.021 0.000 2.340 433 E HA 0.585 4.935 4.350 0.000 0.000 0.273 433 E C -1.381 175.219 176.600 0.000 0.000 0.891 433 E CA -0.480 55.906 56.400 -0.023 0.000 0.757 433 E CB 2.396 32.097 29.700 0.003 0.000 1.231 433 E HN -0.045 nan 8.360 nan 0.000 0.439 434 S N 2.135 117.839 115.700 0.006 0.000 2.789 434 S HA 0.450 4.920 4.470 0.000 0.000 0.286 434 S C -1.603 173.047 174.600 0.084 0.000 1.153 434 S CA -0.640 57.622 58.200 0.103 0.000 1.084 434 S CB 0.325 63.661 63.200 0.225 0.000 1.036 434 S HN 0.485 nan 8.310 nan 0.000 0.484 435 N N 3.139 121.893 118.700 0.090 0.000 2.701 435 N HA 0.565 5.305 4.740 0.000 0.000 0.258 435 N C -0.359 175.208 175.510 0.095 0.000 1.262 435 N CA 0.959 54.058 53.050 0.082 0.000 0.780 435 N CB 1.034 39.552 38.487 0.051 0.000 1.380 435 N HN 1.078 nan 8.380 nan 0.000 0.548 436 G N 0.492 109.354 108.800 0.105 0.000 2.525 436 G HA2 -0.125 3.835 3.960 0.000 0.000 0.685 436 G HA3 -0.125 3.835 3.960 0.000 0.000 0.685 436 G C -1.051 173.891 174.900 0.070 0.000 1.290 436 G CA -0.737 44.414 45.100 0.084 0.000 0.915 436 G HN 0.372 nan 8.290 nan 0.000 0.548 437 S N 0.633 116.357 115.700 0.039 0.000 2.519 437 S HA 0.336 4.807 4.470 0.000 0.000 0.310 437 S C 1.712 176.337 174.600 0.043 0.000 1.201 437 S CA 0.557 58.755 58.200 -0.004 0.000 1.179 437 S CB 0.660 63.848 63.200 -0.020 0.000 1.104 437 S HN 1.743 nan 8.310 nan 0.000 0.527 438 S N 2.076 117.818 115.700 0.069 0.000 2.562 438 S HA -0.018 4.453 4.470 0.000 0.000 0.221 438 S C 1.609 176.325 174.600 0.193 0.000 0.975 438 S CA 0.132 58.438 58.200 0.177 0.000 0.918 438 S CB -0.049 63.319 63.200 0.281 0.000 0.772 438 S HN 0.507 nan 8.310 nan 0.000 0.531 439 S N 1.951 117.658 115.700 0.012 0.000 2.423 439 S HA 0.142 4.612 4.470 0.000 0.000 0.231 439 S C 1.778 176.377 174.600 -0.000 0.000 1.014 439 S CA 0.875 59.036 58.200 -0.065 0.000 0.965 439 S CB -0.284 62.714 63.200 -0.336 0.000 0.785 439 S HN 0.400 nan 8.310 nan 0.000 0.495 440 M N 1.009 120.615 119.600 0.011 0.000 2.349 440 M HA 0.200 4.680 4.480 0.000 0.000 0.266 440 M C 2.293 178.606 176.300 0.022 0.000 1.076 440 M CA 0.629 55.936 55.300 0.012 0.000 1.126 440 M CB -1.380 31.236 32.600 0.027 0.000 1.392 440 M HN 0.364 nan 8.290 nan 0.000 0.440 441 A N -0.614 122.273 122.820 0.113 0.000 2.066 441 A HA -0.029 4.291 4.320 0.000 0.000 0.218 441 A C 2.373 180.014 177.584 0.095 0.000 1.157 441 A CA 1.449 53.588 52.037 0.170 0.000 0.670 441 A CB -0.471 18.761 19.000 0.387 0.000 0.804 441 A HN 0.437 nan 8.150 nan 0.000 0.453 442 S N -0.341 115.456 115.700 0.161 0.000 2.406 442 S HA -0.085 4.386 4.470 0.000 0.000 0.228 442 S C 1.809 176.526 174.600 0.194 0.000 1.020 442 S CA 1.298 59.643 58.200 0.243 0.000 0.965 442 S CB -0.238 63.199 63.200 0.396 0.000 0.798 442 S HN 0.370 nan 8.310 nan 0.000 0.488 443 V N 0.995 120.943 119.914 0.057 0.000 2.453 443 V HA -0.177 3.944 4.120 0.000 0.000 0.247 443 V C 2.370 178.422 176.094 -0.070 0.000 1.048 443 V CA 1.273 63.580 62.300 0.011 0.000 1.049 443 V CB -0.957 30.835 31.823 -0.052 0.000 0.672 443 V HN 0.565 nan 8.190 nan 0.000 0.457 444 C N 1.054 120.196 119.300 -0.263 0.000 2.440 444 C HA -0.001 4.459 4.460 0.000 0.000 0.278 444 C C 2.882 177.659 174.990 -0.356 0.000 1.295 444 C CA 0.761 59.467 59.018 -0.520 0.000 1.738 444 C CB -1.617 25.283 27.740 -1.399 0.000 1.987 444 C HN 0.662 nan 8.230 nan 0.000 0.492 445 G N 0.108 108.790 108.800 -0.196 0.000 2.464 445 G HA2 0.116 4.076 3.960 0.000 0.000 0.217 445 G HA3 0.116 4.076 3.960 0.000 0.000 0.217 445 G C 1.808 176.747 174.900 0.065 0.000 1.138 445 G CA 0.861 45.971 45.100 0.016 0.000 0.793 445 G HN 0.588 nan 8.290 nan 0.000 0.539 446 A N 0.649 123.538 122.820 0.115 0.000 1.930 446 A HA 0.039 4.359 4.320 0.000 0.000 0.217 446 A C 2.579 180.232 177.584 0.114 0.000 1.175 446 A CA 2.112 54.256 52.037 0.179 0.000 0.627 446 A CB -0.677 18.571 19.000 0.414 0.000 0.815 446 A HN 0.373 nan 8.150 nan 0.000 0.443 447 S N -0.641 115.094 115.700 0.059 0.000 2.402 447 S HA -0.046 4.424 4.470 0.000 0.000 0.229 447 S C 1.844 176.455 174.600 0.019 0.000 1.021 447 S CA 1.287 59.501 58.200 0.024 0.000 0.974 447 S CB -0.426 62.766 63.200 -0.014 0.000 0.800 447 S HN 0.482 nan 8.310 nan 0.000 0.484 448 L N 0.744 121.981 121.223 0.024 0.000 2.179 448 L HA 0.111 4.452 4.340 0.000 0.000 0.208 448 L C 2.806 179.700 176.870 0.039 0.000 1.096 448 L CA 0.994 55.855 54.840 0.035 0.000 0.779 448 L CB -0.490 41.604 42.059 0.059 0.000 0.922 448 L HN 0.361 nan 8.230 nan 0.000 0.443 449 A N -0.096 122.752 122.820 0.046 0.000 1.968 449 A HA -0.066 4.254 4.320 0.000 0.000 0.217 449 A C 2.213 179.822 177.584 0.042 0.000 1.169 449 A CA 1.066 53.129 52.037 0.044 0.000 0.638 449 A CB -0.471 18.552 19.000 0.039 0.000 0.812 449 A HN 0.329 nan 8.150 nan 0.000 0.446 450 L N -1.215 120.034 121.223 0.044 0.000 2.156 450 L HA -0.086 4.254 4.340 0.000 0.000 0.208 450 L C 2.724 179.591 176.870 -0.004 0.000 1.095 450 L CA 1.033 55.892 54.840 0.031 0.000 0.770 450 L CB -0.327 41.755 42.059 0.038 0.000 0.914 450 L HN 0.386 nan 8.230 nan 0.000 0.439 451 M N -0.844 118.755 119.600 -0.003 0.000 2.254 451 M HA -0.180 4.300 4.480 0.000 0.000 0.265 451 M C 1.671 177.970 176.300 -0.002 0.000 1.066 451 M CA 1.415 56.707 55.300 -0.013 0.000 1.123 451 M CB -0.293 32.303 32.600 -0.008 0.000 1.388 451 M HN 0.152 nan 8.290 nan 0.000 0.425 452 D N 0.381 120.789 120.400 0.014 0.000 2.194 452 D HA -0.028 4.612 4.640 0.000 0.000 0.204 452 D C 1.829 178.146 176.300 0.028 0.000 0.964 452 D CA 1.298 55.311 54.000 0.021 0.000 0.846 452 D CB 0.232 41.049 40.800 0.030 0.000 0.962 452 D HN 0.248 nan 8.370 nan 0.000 0.490 453 A N -0.631 122.209 122.820 0.034 0.000 2.014 453 A HA 0.340 4.661 4.320 0.000 0.000 0.218 453 A C 1.940 179.535 177.584 0.017 0.000 1.163 453 A CA 1.411 53.478 52.037 0.050 0.000 0.652 453 A CB -0.450 18.586 19.000 0.060 0.000 0.808 453 A HN 0.495 nan 8.150 nan 0.000 0.449 454 G N -2.026 106.766 108.800 -0.014 0.000 2.148 454 G HA2 -0.143 3.817 3.960 0.000 0.000 0.203 454 G HA3 -0.143 3.817 3.960 0.000 0.000 0.203 454 G C 0.043 174.877 174.900 -0.110 0.000 0.993 454 G CA -0.055 45.020 45.100 -0.041 0.000 0.661 454 G HN 0.804 nan 8.290 nan 0.000 0.518 455 V N 2.500 122.326 119.914 -0.147 0.000 2.439 455 V HA 0.345 4.466 4.120 0.000 0.000 0.271 455 V C -1.140 174.737 176.094 -0.360 0.000 1.040 455 V CA -0.858 61.227 62.300 -0.360 0.000 1.002 455 V CB 1.100 32.791 31.823 -0.220 0.000 1.000 455 V HN 0.254 nan 8.190 nan 0.000 0.477 456 P HA 0.180 nan 4.420 nan 0.000 0.249 456 P C -0.030 177.120 177.300 -0.251 0.000 1.737 456 P CA -0.028 62.890 63.100 -0.304 0.000 1.128 456 P CB -0.241 31.292 31.700 -0.278 0.000 1.942 457 I N -1.418 119.043 120.570 -0.181 0.000 2.764 457 I HA 0.237 4.407 4.170 0.000 0.000 0.294 457 I C 1.374 177.434 176.117 -0.095 0.000 1.045 457 I CA -0.723 60.498 61.300 -0.132 0.000 1.340 457 I CB 0.927 38.867 38.000 -0.100 0.000 1.436 457 I HN -0.077 nan 8.210 nan 0.000 0.567 458 K N 2.959 123.310 120.400 -0.081 0.000 2.002 458 K HA 0.111 4.431 4.320 0.000 0.000 0.209 458 K C 0.631 177.202 176.600 -0.050 0.000 1.048 458 K CA 1.699 57.949 56.287 -0.060 0.000 0.930 458 K CB -0.155 32.312 32.500 -0.055 0.000 0.714 458 K HN 0.866 nan 8.250 nan 0.000 0.438 459 A N -0.325 122.466 122.820 -0.049 0.000 2.568 459 A HA 0.671 4.991 4.320 0.000 0.000 0.291 459 A C -1.672 175.890 177.584 -0.037 0.000 1.159 459 A CA -0.598 51.416 52.037 -0.038 0.000 0.679 459 A CB 0.931 19.912 19.000 -0.032 0.000 1.285 459 A HN 0.138 nan 8.150 nan 0.000 0.428 460 A N -0.360 122.443 122.820 -0.029 0.000 2.401 460 A HA 0.554 4.874 4.320 0.000 0.000 0.259 460 A C -0.241 177.325 177.584 -0.030 0.000 1.103 460 A CA -0.027 51.994 52.037 -0.027 0.000 0.789 460 A CB 0.255 19.244 19.000 -0.019 0.000 1.035 460 A HN 2.012 nan 8.150 nan 0.000 0.491 461 V N 2.438 122.331 119.914 -0.036 0.000 2.487 461 V HA 0.765 4.885 4.120 0.000 0.000 0.298 461 V C 0.111 176.169 176.094 -0.060 0.000 1.028 461 V CA 0.328 62.603 62.300 -0.041 0.000 0.860 461 V CB 1.209 33.007 31.823 -0.041 0.000 0.991 461 V HN 1.527 nan 8.190 nan 0.000 0.427 462 A N 4.503 127.290 122.820 -0.054 0.000 2.437 462 A HA 1.081 5.401 4.320 0.000 0.000 0.292 462 A C -0.050 177.507 177.584 -0.046 0.000 1.173 462 A CA -0.282 51.709 52.037 -0.076 0.000 0.785 462 A CB 2.068 21.039 19.000 -0.047 0.000 1.351 462 A HN 1.856 nan 8.150 nan 0.000 0.431 463 G N -0.879 107.897 108.800 -0.040 0.000 2.702 463 G HA2 0.671 4.631 3.960 0.000 0.000 0.296 463 G HA3 0.671 4.631 3.960 0.000 0.000 0.296 463 G C -1.343 173.578 174.900 0.034 0.000 1.463 463 G CA 0.044 45.142 45.100 -0.003 0.000 0.890 463 G HN 1.544 nan 8.290 nan 0.000 0.534 464 I N -1.136 119.467 120.570 0.056 0.000 3.191 464 I HA 0.961 5.132 4.170 0.000 0.000 0.313 464 I C 0.094 176.257 176.117 0.078 0.000 1.193 464 I CA -1.674 59.673 61.300 0.078 0.000 0.968 464 I CB 1.787 39.841 38.000 0.090 0.000 1.262 464 I HN 0.875 nan 8.210 nan 0.000 0.456 465 A N 3.600 126.467 122.820 0.079 0.000 2.311 465 A HA 0.978 5.298 4.320 0.000 0.000 0.334 465 A C -0.485 177.154 177.584 0.090 0.000 1.139 465 A CA -0.659 51.428 52.037 0.084 0.000 0.830 465 A CB 1.123 20.159 19.000 0.060 0.000 1.234 465 A HN 0.674 nan 8.150 nan 0.000 0.483 466 M N 0.532 120.205 119.600 0.122 0.000 2.619 466 M HA 0.628 5.108 4.480 0.000 0.000 0.297 466 M C 0.163 176.519 176.300 0.094 0.000 1.229 466 M CA -0.339 55.014 55.300 0.088 0.000 0.860 466 M CB 1.654 34.279 32.600 0.040 0.000 1.741 466 M HN 0.946 nan 8.290 nan 0.000 0.462 467 G N 0.637 109.467 108.800 0.050 0.000 2.798 467 G HA2 0.855 4.815 3.960 0.000 0.000 0.286 467 G HA3 0.855 4.815 3.960 0.000 0.000 0.286 467 G C -2.379 172.540 174.900 0.031 0.000 1.389 467 G CA -0.488 44.641 45.100 0.049 0.000 0.894 467 G HN 0.586 nan 8.290 nan 0.000 0.488 468 L N -0.580 120.664 121.223 0.035 0.000 2.505 468 L HA 0.727 5.067 4.340 0.000 0.000 0.259 468 L C -1.349 175.543 176.870 0.036 0.000 0.952 468 L CA -0.592 54.269 54.840 0.035 0.000 0.840 468 L CB 2.485 44.560 42.059 0.027 0.000 1.358 468 L HN 0.426 nan 8.230 nan 0.000 0.409 469 V N 4.138 124.079 119.914 0.045 0.000 2.409 469 V HA 0.559 4.679 4.120 0.000 0.000 0.290 469 V C -0.538 175.591 176.094 0.058 0.000 1.017 469 V CA -0.629 61.693 62.300 0.036 0.000 0.841 469 V CB 1.556 33.389 31.823 0.017 0.000 1.003 469 V HN 0.722 nan 8.190 nan 0.000 0.426 470 K N 3.315 123.746 120.400 0.053 0.000 2.378 470 K HA 0.626 4.946 4.320 0.000 0.000 0.252 470 K C -0.814 175.812 176.600 0.043 0.000 0.931 470 K CA -0.594 55.737 56.287 0.074 0.000 0.794 470 K CB 2.188 34.731 32.500 0.073 0.000 1.181 470 K HN 0.740 nan 8.250 nan 0.000 0.425 471 E N 3.118 123.344 120.200 0.045 0.000 2.675 471 E HA 0.253 4.604 4.350 0.000 0.000 0.236 471 E C 0.189 176.805 176.600 0.027 0.000 1.059 471 E CA 0.162 56.577 56.400 0.025 0.000 0.775 471 E CB 0.538 30.245 29.700 0.013 0.000 1.356 471 E HN 0.931 nan 8.360 nan 0.000 0.403 472 G N 4.490 113.305 108.800 0.025 0.000 5.155 472 G HA2 -0.354 3.607 3.960 0.000 0.000 0.239 472 G HA3 -0.354 3.607 3.960 0.000 0.000 0.239 472 G C 0.690 175.612 174.900 0.037 0.000 1.409 472 G CA 0.649 45.762 45.100 0.022 0.000 0.927 472 G HN 0.569 nan 8.290 nan 0.000 0.710 473 D N 0.322 120.754 120.400 0.053 0.000 2.680 473 D HA 0.167 4.807 4.640 0.000 0.000 0.295 473 D C 0.615 177.006 176.300 0.151 0.000 1.097 473 D CA -0.020 54.030 54.000 0.084 0.000 0.952 473 D CB -0.187 40.644 40.800 0.051 0.000 1.491 473 D HN 0.321 nan 8.370 nan 0.000 0.486 474 N N 1.010 119.756 118.700 0.078 0.000 2.530 474 N HA 0.239 4.979 4.740 0.000 0.000 0.273 474 N C -0.648 174.915 175.510 0.088 0.000 1.173 474 N CA 0.056 53.113 53.050 0.011 0.000 0.967 474 N CB 0.599 39.054 38.487 -0.052 0.000 1.109 474 N HN 0.163 nan 8.380 nan 0.000 0.453 475 Y N -2.256 118.030 120.300 -0.022 0.000 2.534 475 Y HA 0.698 5.248 4.550 0.001 0.000 0.345 475 Y C -1.129 174.754 175.900 -0.028 0.000 1.031 475 Y CA -1.260 56.825 58.100 -0.025 0.000 1.022 475 Y CB 0.811 39.255 38.460 -0.028 0.000 1.292 475 Y HN 0.074 nan 8.280 nan 0.000 0.459 476 V N 3.742 123.717 119.914 0.103 0.000 2.407 476 V HA 0.412 4.532 4.120 0.000 0.000 0.291 476 V C -0.523 175.618 176.094 0.078 0.000 1.018 476 V CA -0.916 61.406 62.300 0.037 0.000 0.842 476 V CB 1.418 33.239 31.823 -0.003 0.000 0.996 476 V HN 0.756 nan 8.190 nan 0.000 0.426 477 V N 6.640 126.599 119.914 0.076 0.000 2.461 477 V HA 0.390 4.510 4.120 0.000 0.000 0.275 477 V C -0.157 175.940 176.094 0.005 0.000 1.047 477 V CA -0.325 61.997 62.300 0.036 0.000 0.955 477 V CB 1.246 33.079 31.823 0.017 0.000 0.988 477 V HN 0.557 nan 8.190 nan 0.000 0.471 478 L N 4.319 125.542 121.223 0.001 0.000 2.329 478 L HA 0.553 4.894 4.340 0.000 0.000 0.279 478 L C 0.264 177.134 176.870 0.001 0.000 1.014 478 L CA 0.450 55.293 54.840 0.004 0.000 0.814 478 L CB 2.155 44.224 42.059 0.016 0.000 1.257 478 L HN 0.651 nan 8.230 nan 0.000 0.424 479 S N 1.138 116.839 115.700 0.002 0.000 2.475 479 S HA 0.364 4.835 4.470 0.000 0.000 0.298 479 S C -0.687 173.927 174.600 0.023 0.000 1.119 479 S CA -0.543 57.661 58.200 0.006 0.000 1.085 479 S CB 1.070 64.267 63.200 -0.006 0.000 1.028 479 S HN 0.708 nan 8.310 nan 0.000 0.489 480 D N 1.647 122.070 120.400 0.038 0.000 3.082 480 D HA -0.170 4.470 4.640 0.000 0.000 0.234 480 D C -0.094 176.237 176.300 0.052 0.000 1.159 480 D CA 0.446 54.477 54.000 0.052 0.000 0.875 480 D CB -1.244 39.588 40.800 0.053 0.000 0.946 480 D HN 0.581 nan 8.370 nan 0.000 0.411 481 I N -1.705 118.898 120.570 0.054 0.000 2.638 481 I HA 0.370 4.540 4.170 0.000 0.000 0.286 481 I C 0.636 176.795 176.117 0.069 0.000 1.088 481 I CA -1.028 60.306 61.300 0.057 0.000 1.397 481 I CB 0.464 38.494 38.000 0.051 0.000 1.414 481 I HN -0.039 nan 8.210 nan 0.000 0.566 482 L N 3.896 125.169 121.223 0.083 0.000 2.642 482 L HA 0.444 4.785 4.340 0.000 0.000 0.229 482 L C 1.799 178.747 176.870 0.131 0.000 1.179 482 L CA 0.505 55.409 54.840 0.106 0.000 0.834 482 L CB 0.316 42.447 42.059 0.121 0.000 1.515 482 L HN 0.824 nan 8.230 nan 0.000 0.512 483 G N -1.273 107.630 108.800 0.171 0.000 2.408 483 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 483 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 483 G C 0.932 176.035 174.900 0.340 0.000 1.150 483 G CA 0.472 45.716 45.100 0.241 0.000 0.776 483 G HN 0.646 nan 8.290 nan 0.000 0.542 484 D N 0.545 121.134 120.400 0.314 0.000 2.194 484 D HA -0.004 4.636 4.640 0.000 0.000 0.204 484 D C 2.330 178.755 176.300 0.208 0.000 0.964 484 D CA 0.552 54.736 54.000 0.307 0.000 0.846 484 D CB -0.109 40.887 40.800 0.327 0.000 0.962 484 D HN 0.425 nan 8.370 nan 0.000 0.490 485 E N 0.192 120.484 120.200 0.154 0.000 2.418 485 E HA -0.118 4.233 4.350 0.000 0.000 0.197 485 E C 1.055 177.694 176.600 0.065 0.000 1.026 485 E CA 0.481 56.936 56.400 0.091 0.000 0.862 485 E CB 0.240 29.985 29.700 0.076 0.000 0.799 485 E HN 0.172 nan 8.360 nan 0.000 0.518 486 D N -0.277 120.158 120.400 0.059 0.000 2.201 486 D HA -0.069 4.571 4.640 0.000 0.000 0.209 486 D C 1.468 177.719 176.300 -0.081 0.000 0.961 486 D CA 1.047 55.022 54.000 -0.043 0.000 0.861 486 D CB 0.184 40.906 40.800 -0.131 0.000 0.997 486 D HN 0.177 nan 8.370 nan 0.000 0.486 487 H N -0.965 118.164 119.070 0.099 0.000 2.482 487 H HA 0.252 4.808 4.556 0.000 0.000 0.286 487 H C 1.411 176.802 175.328 0.105 0.000 1.017 487 H CA 0.726 56.843 56.048 0.115 0.000 1.322 487 H CB 0.372 30.224 29.762 0.151 0.000 1.426 487 H HN 0.118 nan 8.280 nan 0.000 0.546 488 L N -0.353 120.971 121.223 0.167 0.000 2.616 488 L HA 0.242 4.582 4.340 0.000 0.000 0.229 488 L C 1.644 178.532 176.870 0.031 0.000 1.110 488 L CA -0.129 54.748 54.840 0.062 0.000 0.884 488 L CB 0.295 42.339 42.059 -0.026 0.000 1.115 488 L HN 0.213 nan 8.230 nan 0.000 0.481 489 G N -0.456 108.370 108.800 0.043 0.000 2.624 489 G HA2 0.058 4.018 3.960 0.000 0.000 0.217 489 G HA3 0.058 4.018 3.960 0.000 0.000 0.217 489 G C 0.077 174.994 174.900 0.030 0.000 1.506 489 G CA 0.037 45.154 45.100 0.027 0.000 1.072 489 G HN 0.029 nan 8.290 nan 0.000 0.568 490 D N -1.310 119.106 120.400 0.027 0.000 2.415 490 D HA 0.145 4.786 4.640 0.000 0.000 0.269 490 D C 0.931 177.245 176.300 0.024 0.000 1.099 490 D CA 0.455 54.470 54.000 0.024 0.000 0.865 490 D CB 0.681 41.493 40.800 0.020 0.000 1.359 490 D HN 0.465 nan 8.370 nan 0.000 0.506 491 M N -0.656 118.963 119.600 0.032 0.000 2.622 491 M HA 0.540 5.020 4.480 0.000 0.000 0.276 491 M C -1.968 174.361 176.300 0.047 0.000 1.265 491 M CA -0.707 54.617 55.300 0.041 0.000 0.850 491 M CB 3.286 35.930 32.600 0.073 0.000 1.720 491 M HN -0.349 nan 8.290 nan 0.000 0.465 492 D N 1.633 122.055 120.400 0.036 0.000 2.456 492 D HA 0.383 5.023 4.640 0.000 0.000 0.287 492 D C -1.901 174.428 176.300 0.048 0.000 1.186 492 D CA -0.139 53.880 54.000 0.032 0.000 0.916 492 D CB 0.294 41.083 40.800 -0.018 0.000 1.029 492 D HN 0.521 nan 8.370 nan 0.000 0.498 493 F N 2.466 122.400 119.950 -0.027 0.000 2.471 493 F HA 0.282 4.810 4.527 0.001 0.000 0.365 493 F C 0.339 176.125 175.800 -0.022 0.000 1.095 493 F CA 0.054 58.038 58.000 -0.027 0.000 1.174 493 F CB 0.363 39.348 39.000 -0.025 0.000 1.105 493 F HN -0.052 nan 8.300 nan 0.000 0.535 494 K N 5.806 126.172 120.400 -0.057 0.000 2.450 494 K HA 0.571 4.892 4.320 0.000 0.000 0.257 494 K C -1.464 175.134 176.600 -0.003 0.000 0.953 494 K CA -0.826 55.460 56.287 -0.002 0.000 0.844 494 K CB 2.350 34.814 32.500 -0.059 0.000 1.103 494 K HN 0.290 nan 8.250 nan 0.000 0.429 495 V N 1.724 121.687 119.914 0.082 0.000 2.531 495 V HA 0.699 4.819 4.120 0.000 0.000 0.301 495 V C -0.727 175.385 176.094 0.029 0.000 1.034 495 V CA -0.893 61.452 62.300 0.074 0.000 0.865 495 V CB 1.611 33.525 31.823 0.152 0.000 0.995 495 V HN 0.888 nan 8.190 nan 0.000 0.424 496 A N 3.165 125.983 122.820 -0.002 0.000 2.398 496 A HA 1.036 5.357 4.320 0.000 0.000 0.301 496 A C -0.085 177.485 177.584 -0.023 0.000 1.041 496 A CA 0.052 52.077 52.037 -0.019 0.000 0.711 496 A CB 1.915 20.889 19.000 -0.044 0.000 1.240 496 A HN 1.517 nan 8.150 nan 0.000 0.420 497 G N -0.294 108.493 108.800 -0.021 0.000 2.451 497 G HA2 0.551 4.511 3.960 0.000 0.000 0.292 497 G HA3 0.551 4.511 3.960 0.000 0.000 0.292 497 G C -0.383 174.503 174.900 -0.023 0.000 1.427 497 G CA 0.348 45.433 45.100 -0.025 0.000 0.792 497 G HN 1.126 nan 8.290 nan 0.000 0.498 498 S N -1.483 114.202 115.700 -0.026 0.000 2.607 498 S HA 0.348 4.818 4.470 0.000 0.000 0.272 498 S C 1.807 176.399 174.600 -0.013 0.000 1.166 498 S CA -0.040 58.146 58.200 -0.023 0.000 1.021 498 S CB 1.099 64.282 63.200 -0.029 0.000 1.113 498 S HN 0.667 nan 8.310 nan 0.000 0.531 499 R N -0.197 120.296 120.500 -0.012 0.000 2.115 499 R HA 0.008 4.348 4.340 0.000 0.000 0.230 499 R C -0.184 176.113 176.300 -0.005 0.000 1.111 499 R CA 1.494 57.590 56.100 -0.005 0.000 0.976 499 R CB -0.117 30.179 30.300 -0.006 0.000 0.870 499 R HN 0.538 nan 8.270 nan 0.000 0.445 500 D N -0.332 120.061 120.400 -0.011 0.000 2.670 500 D HA 0.274 4.914 4.640 0.000 0.000 0.255 500 D C -0.175 176.115 176.300 -0.017 0.000 1.286 500 D CA 0.356 54.349 54.000 -0.011 0.000 0.830 500 D CB 1.154 41.947 40.800 -0.012 0.000 1.065 500 D HN 0.416 nan 8.370 nan 0.000 0.486 501 G N -0.007 108.783 108.800 -0.017 0.000 2.337 501 G HA2 0.247 4.207 3.960 0.000 0.000 0.298 501 G HA3 0.247 4.207 3.960 0.000 0.000 0.298 501 G C -1.647 173.238 174.900 -0.024 0.000 1.335 501 G CA -0.959 44.126 45.100 -0.024 0.000 0.875 501 G HN 0.053 nan 8.290 nan 0.000 0.579 502 I N 1.343 121.894 120.570 -0.031 0.000 2.378 502 I HA 0.370 4.540 4.170 0.000 0.000 0.291 502 I C 1.387 177.479 176.117 -0.043 0.000 0.992 502 I CA -0.342 60.941 61.300 -0.027 0.000 1.154 502 I CB 2.106 40.096 38.000 -0.016 0.000 1.315 502 I HN 0.663 nan 8.210 nan 0.000 0.448 503 S N 4.129 119.803 115.700 -0.043 0.000 2.460 503 S HA 0.399 4.870 4.470 0.000 0.000 0.226 503 S C 0.692 175.259 174.600 -0.056 0.000 1.057 503 S CA 0.126 58.294 58.200 -0.054 0.000 0.948 503 S CB 0.373 63.538 63.200 -0.058 0.000 0.822 503 S HN 0.689 nan 8.310 nan 0.000 0.512 504 A N 0.737 123.524 122.820 -0.055 0.000 2.422 504 A HA 0.794 5.114 4.320 0.000 0.000 0.302 504 A C -1.530 176.017 177.584 -0.062 0.000 1.041 504 A CA -0.610 51.389 52.037 -0.063 0.000 0.708 504 A CB 1.639 20.594 19.000 -0.076 0.000 1.257 504 A HN 0.483 nan 8.150 nan 0.000 0.414 505 L N 1.135 122.311 121.223 -0.080 0.000 2.409 505 L HA 0.696 5.036 4.340 0.000 0.000 0.272 505 L C -0.583 176.190 176.870 -0.162 0.000 0.980 505 L CA 0.056 54.828 54.840 -0.113 0.000 0.826 505 L CB 2.027 44.028 42.059 -0.097 0.000 1.268 505 L HN 0.847 nan 8.230 nan 0.000 0.407 506 Q N 4.830 124.494 119.800 -0.227 0.000 2.331 506 Q HA 0.610 4.950 4.340 0.000 0.000 0.272 506 Q C -1.801 173.964 176.000 -0.391 0.000 1.062 506 Q CA -0.628 55.032 55.803 -0.239 0.000 0.806 506 Q CB 2.232 30.876 28.738 -0.157 0.000 1.312 506 Q HN 0.786 nan 8.270 nan 0.000 0.431 507 M N 3.606 122.996 119.600 -0.350 0.000 2.106 507 M HA 0.358 4.838 4.480 0.000 0.000 0.288 507 M C -1.849 174.335 176.300 -0.195 0.000 0.941 507 M CA -0.523 54.538 55.300 -0.398 0.000 0.934 507 M CB 1.346 33.678 32.600 -0.446 0.000 1.551 507 M HN 0.548 nan 8.290 nan 0.000 0.437 508 D N 6.371 126.692 120.400 -0.133 0.000 2.460 508 D HA 0.433 5.073 4.640 0.000 0.000 0.232 508 D C -0.686 175.592 176.300 -0.036 0.000 1.079 508 D CA 0.064 54.022 54.000 -0.070 0.000 0.864 508 D CB 0.915 41.683 40.800 -0.053 0.000 1.048 508 D HN 0.515 nan 8.370 nan 0.000 0.523 509 I N 1.251 121.801 120.570 -0.034 0.000 2.336 509 I HA 0.298 4.468 4.170 0.000 0.000 0.292 509 I C 1.479 177.587 176.117 -0.014 0.000 0.991 509 I CA -0.491 60.798 61.300 -0.018 0.000 1.227 509 I CB 1.559 39.542 38.000 -0.029 0.000 1.366 509 I HN 0.220 nan 8.210 nan 0.000 0.466 510 K N 5.740 126.139 120.400 -0.002 0.000 2.354 510 K HA 0.299 4.620 4.320 0.000 0.000 0.194 510 K C 0.416 177.012 176.600 -0.007 0.000 1.045 510 K CA 0.473 56.763 56.287 0.006 0.000 1.026 510 K CB -0.425 32.091 32.500 0.026 0.000 0.866 510 K HN 0.692 nan 8.250 nan 0.000 0.530 511 I N -3.290 117.271 120.570 -0.014 0.000 3.660 511 I HA 0.470 4.641 4.170 0.000 0.000 0.285 511 I C 0.834 176.925 176.117 -0.044 0.000 1.266 511 I CA -0.523 60.764 61.300 -0.023 0.000 0.987 511 I CB 1.475 39.467 38.000 -0.014 0.000 1.417 511 I HN 0.046 nan 8.210 nan 0.000 0.590 512 E N 0.488 120.660 120.200 -0.047 0.000 2.364 512 E HA 0.195 4.545 4.350 0.000 0.000 0.203 512 E C 1.232 177.799 176.600 -0.055 0.000 0.888 512 E CA 0.435 56.800 56.400 -0.060 0.000 0.989 512 E CB 0.359 30.020 29.700 -0.065 0.000 0.985 512 E HN 0.879 nan 8.360 nan 0.000 0.499 513 G N 2.143 110.916 108.800 -0.046 0.000 3.574 513 G HA2 0.202 4.163 3.960 0.000 0.000 0.262 513 G HA3 0.202 4.163 3.960 0.000 0.000 0.262 513 G C -0.080 174.781 174.900 -0.065 0.000 1.231 513 G CA -0.286 44.786 45.100 -0.046 0.000 1.608 513 G HN 0.086 nan 8.290 nan 0.000 0.628 514 I N 1.859 122.382 120.570 -0.079 0.000 2.395 514 I HA 0.428 4.598 4.170 0.000 0.000 0.289 514 I C 0.668 176.710 176.117 -0.124 0.000 1.023 514 I CA -0.427 60.809 61.300 -0.106 0.000 1.350 514 I CB 1.278 39.224 38.000 -0.089 0.000 1.409 514 I HN 0.195 nan 8.210 nan 0.000 0.507 515 T N 2.634 117.094 114.554 -0.157 0.000 2.950 515 T HA 0.310 4.660 4.350 0.000 0.000 0.288 515 T C 0.765 175.382 174.700 -0.138 0.000 1.035 515 T CA -0.819 61.196 62.100 -0.142 0.000 1.028 515 T CB 1.768 70.546 68.868 -0.149 0.000 1.109 515 T HN 0.708 nan 8.240 nan 0.000 0.514 516 K N -0.007 120.331 120.400 -0.102 0.000 2.148 516 K HA -0.105 4.215 4.320 0.000 0.000 0.204 516 K C 1.697 178.252 176.600 -0.074 0.000 1.050 516 K CA 1.323 57.564 56.287 -0.077 0.000 0.942 516 K CB -0.069 32.403 32.500 -0.046 0.000 0.724 516 K HN 0.660 nan 8.250 nan 0.000 0.446 517 E N 0.591 120.739 120.200 -0.087 0.000 2.107 517 E HA -0.157 4.193 4.350 0.000 0.000 0.191 517 E C 1.784 178.306 176.600 -0.131 0.000 0.982 517 E CA 1.213 57.569 56.400 -0.073 0.000 0.809 517 E CB -0.234 29.447 29.700 -0.031 0.000 0.756 517 E HN 0.527 nan 8.360 nan 0.000 0.459 518 I N -2.055 118.350 120.570 -0.276 0.000 2.676 518 I HA -0.099 4.071 4.170 0.000 0.000 0.259 518 I C 1.885 177.864 176.117 -0.230 0.000 1.194 518 I CA 1.274 62.337 61.300 -0.394 0.000 1.473 518 I CB -0.202 37.382 38.000 -0.692 0.000 1.096 518 I HN -0.020 nan 8.210 nan 0.000 0.443 519 M N -0.014 119.498 119.600 -0.147 0.000 2.254 519 M HA -0.123 4.357 4.480 0.000 0.000 0.265 519 M C 2.314 178.548 176.300 -0.110 0.000 1.066 519 M CA 1.571 56.822 55.300 -0.082 0.000 1.123 519 M CB -0.330 32.291 32.600 0.035 0.000 1.388 519 M HN 0.332 nan 8.290 nan 0.000 0.425 520 Q N 0.478 120.232 119.800 -0.076 0.000 2.123 520 Q HA -0.081 4.259 4.340 0.000 0.000 0.199 520 Q C 1.758 177.715 176.000 -0.072 0.000 0.966 520 Q CA 1.510 57.282 55.803 -0.051 0.000 0.845 520 Q CB -0.184 28.542 28.738 -0.021 0.000 0.907 520 Q HN 0.367 nan 8.270 nan 0.000 0.439 521 V N 0.515 120.384 119.914 -0.075 0.000 2.427 521 V HA -0.170 3.951 4.120 0.000 0.000 0.248 521 V C 2.214 178.229 176.094 -0.132 0.000 1.051 521 V CA 1.609 63.877 62.300 -0.053 0.000 1.048 521 V CB -1.162 30.686 31.823 0.042 0.000 0.666 521 V HN 0.468 nan 8.190 nan 0.000 0.456 522 A N -0.289 122.373 122.820 -0.264 0.000 1.929 522 A HA -0.096 4.224 4.320 0.000 0.000 0.216 522 A C 2.117 179.410 177.584 -0.484 0.000 1.176 522 A CA 1.648 53.402 52.037 -0.472 0.000 0.628 522 A CB -0.416 18.061 19.000 -0.871 0.000 0.816 522 A HN 0.429 nan 8.150 nan 0.000 0.444 523 L N 0.134 121.131 121.223 -0.377 0.000 2.131 523 L HA -0.017 4.323 4.340 0.000 0.000 0.206 523 L C 1.951 178.780 176.870 -0.068 0.000 1.087 523 L CA 2.097 56.846 54.840 -0.152 0.000 0.767 523 L CB -0.630 41.427 42.059 -0.003 0.000 0.917 523 L HN 0.455 nan 8.230 nan 0.000 0.441 524 N N -0.705 117.953 118.700 -0.069 0.000 2.188 524 N HA -0.240 4.500 4.740 0.000 0.000 0.184 524 N C 1.898 177.388 175.510 -0.034 0.000 1.018 524 N CA 1.454 54.483 53.050 -0.035 0.000 0.858 524 N CB -0.088 38.383 38.487 -0.027 0.000 0.989 524 N HN 0.525 nan 8.380 nan 0.000 0.426 525 Q N -0.856 118.910 119.800 -0.057 0.000 2.230 525 Q HA 0.064 4.404 4.340 0.000 0.000 0.202 525 Q C 1.645 177.625 176.000 -0.033 0.000 0.963 525 Q CA 1.098 56.874 55.803 -0.045 0.000 0.866 525 Q CB -0.092 28.612 28.738 -0.057 0.000 0.931 525 Q HN 0.466 nan 8.270 nan 0.000 0.452 526 A N 0.890 123.685 122.820 -0.042 0.000 1.968 526 A HA -0.136 4.184 4.320 0.000 0.000 0.217 526 A C 1.965 179.562 177.584 0.020 0.000 1.169 526 A CA 1.200 53.235 52.037 -0.002 0.000 0.638 526 A CB -0.334 18.676 19.000 0.015 0.000 0.812 526 A HN 0.283 nan 8.150 nan 0.000 0.446 527 K N -0.425 119.983 120.400 0.012 0.000 2.057 527 K HA -0.093 4.228 4.320 0.000 0.000 0.206 527 K C 2.008 178.623 176.600 0.026 0.000 1.050 527 K CA 1.309 57.608 56.287 0.020 0.000 0.935 527 K CB -0.462 32.045 32.500 0.013 0.000 0.715 527 K HN 0.382 nan 8.250 nan 0.000 0.439 528 G N 0.208 109.019 108.800 0.019 0.000 2.422 528 G HA2 -0.195 3.765 3.960 0.000 0.000 0.218 528 G HA3 -0.195 3.765 3.960 0.000 0.000 0.218 528 G C 1.489 176.416 174.900 0.045 0.000 1.140 528 G CA 0.818 45.934 45.100 0.027 0.000 0.775 528 G HN 0.422 nan 8.290 nan 0.000 0.545 529 A N 0.450 123.294 122.820 0.039 0.000 1.930 529 A HA 0.142 4.462 4.320 0.000 0.000 0.215 529 A C 2.278 179.924 177.584 0.103 0.000 1.176 529 A CA 1.479 53.550 52.037 0.057 0.000 0.632 529 A CB -0.343 18.678 19.000 0.035 0.000 0.819 529 A HN 0.318 nan 8.150 nan 0.000 0.445 530 R N -0.426 120.120 120.500 0.076 0.000 2.115 530 R HA 0.013 4.353 4.340 0.000 0.000 0.230 530 R C 1.730 178.075 176.300 0.075 0.000 1.111 530 R CA 1.060 57.203 56.100 0.072 0.000 0.976 530 R CB -0.335 29.992 30.300 0.046 0.000 0.870 530 R HN 0.521 nan 8.270 nan 0.000 0.445 531 L N -0.990 120.278 121.223 0.075 0.000 2.201 531 L HA -0.153 4.187 4.340 0.000 0.000 0.212 531 L C 2.266 179.188 176.870 0.087 0.000 1.105 531 L CA 1.245 56.124 54.840 0.065 0.000 0.775 531 L CB -0.390 41.702 42.059 0.055 0.000 0.913 531 L HN 0.323 nan 8.230 nan 0.000 0.440 532 H N 0.035 119.126 119.070 0.034 0.000 2.333 532 H HA -0.113 4.444 4.556 0.000 0.000 0.302 532 H C 2.134 177.498 175.328 0.060 0.000 1.075 532 H CA 1.726 57.799 56.048 0.041 0.000 1.348 532 H CB 0.180 29.966 29.762 0.039 0.000 1.393 532 H HN 0.075 nan 8.280 nan 0.000 0.509 533 I N 0.074 120.736 120.570 0.152 0.000 2.252 533 I HA -0.192 3.978 4.170 0.000 0.000 0.245 533 I C 2.494 178.653 176.117 0.070 0.000 1.102 533 I CA 0.872 62.257 61.300 0.142 0.000 1.385 533 I CB -0.326 37.808 38.000 0.222 0.000 1.064 533 I HN 0.312 nan 8.210 nan 0.000 0.414 534 L N -0.041 121.206 121.223 0.040 0.000 2.141 534 L HA -0.104 4.236 4.340 0.000 0.000 0.209 534 L C 2.403 179.270 176.870 -0.005 0.000 1.094 534 L CA 1.525 56.372 54.840 0.013 0.000 0.763 534 L CB -0.681 41.383 42.059 0.008 0.000 0.908 534 L HN 0.332 nan 8.230 nan 0.000 0.437 535 G N -1.195 107.587 108.800 -0.031 0.000 2.402 535 G HA2 -0.189 3.771 3.960 0.000 0.000 0.216 535 G HA3 -0.189 3.771 3.960 0.000 0.000 0.216 535 G C 1.427 176.288 174.900 -0.065 0.000 1.162 535 G CA 0.916 45.984 45.100 -0.053 0.000 0.777 535 G HN 0.284 nan 8.290 nan 0.000 0.539 536 V N 0.629 120.485 119.914 -0.097 0.000 2.719 536 V HA -0.030 4.090 4.120 0.000 0.000 0.252 536 V C 2.581 178.680 176.094 0.010 0.000 1.065 536 V CA 1.665 63.926 62.300 -0.064 0.000 1.086 536 V CB -0.223 31.542 31.823 -0.097 0.000 0.700 536 V HN 0.416 nan 8.190 nan 0.000 0.467 537 M N -0.262 119.361 119.600 0.038 0.000 2.254 537 M HA -0.128 4.352 4.480 0.000 0.000 0.265 537 M C 2.059 178.376 176.300 0.028 0.000 1.066 537 M CA 1.658 56.995 55.300 0.062 0.000 1.123 537 M CB -0.010 32.624 32.600 0.056 0.000 1.388 537 M HN 0.322 nan 8.290 nan 0.000 0.425 538 E N -0.588 119.617 120.200 0.008 0.000 2.358 538 E HA -0.199 4.151 4.350 0.000 0.000 0.195 538 E C 1.813 178.414 176.600 0.000 0.000 1.010 538 E CA 0.533 56.934 56.400 0.001 0.000 0.856 538 E CB -0.001 29.695 29.700 -0.006 0.000 0.795 538 E HN 0.619 nan 8.360 nan 0.000 0.504 539 Q N 0.558 120.357 119.800 -0.002 0.000 2.119 539 Q HA -0.155 4.185 4.340 0.000 0.000 0.201 539 Q C 1.929 177.932 176.000 0.004 0.000 0.972 539 Q CA 1.308 57.109 55.803 -0.003 0.000 0.847 539 Q CB 0.042 28.773 28.738 -0.012 0.000 0.903 539 Q HN 0.222 nan 8.270 nan 0.000 0.433 540 A N 0.539 123.367 122.820 0.013 0.000 1.831 540 A HA 0.134 4.455 4.320 0.000 0.000 0.213 540 A C 0.802 178.394 177.584 0.013 0.000 1.223 540 A CA 1.156 53.203 52.037 0.017 0.000 0.604 540 A CB -0.075 18.943 19.000 0.030 0.000 0.878 540 A HN 0.463 nan 8.150 nan 0.000 0.450 541 I N -3.663 116.916 120.570 0.015 0.000 2.656 541 I HA 0.464 4.635 4.170 0.000 0.000 0.292 541 I C -0.518 175.602 176.117 0.005 0.000 1.144 541 I CA -0.772 60.534 61.300 0.009 0.000 1.038 541 I CB 2.142 40.148 38.000 0.010 0.000 1.244 541 I HN 0.222 nan 8.210 nan 0.000 0.420 542 N N 3.145 121.844 118.700 -0.002 0.000 2.143 542 N HA 0.469 5.210 4.740 0.000 0.000 0.222 542 N C -0.372 175.131 175.510 -0.013 0.000 1.264 542 N CA 0.064 53.109 53.050 -0.007 0.000 0.897 542 N CB 1.414 39.897 38.487 -0.007 0.000 1.092 542 N HN 0.838 nan 8.380 nan 0.000 0.516 543 A N 1.136 123.949 122.820 -0.013 0.000 2.422 543 A HA 0.738 5.058 4.320 0.000 0.000 0.302 543 A C -2.667 174.905 177.584 -0.020 0.000 1.041 543 A CA -0.952 51.074 52.037 -0.019 0.000 0.708 543 A CB 1.173 20.164 19.000 -0.016 0.000 1.257 543 A HN 0.034 nan 8.150 nan 0.000 0.414 544 P HA 0.000 nan 4.420 nan 0.000 0.216 544 P CA 0.000 63.081 63.100 -0.032 0.000 0.800 544 P CB 0.000 31.665 31.700 -0.059 0.000 0.726