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 1e3p_1_A DATA FIRST_RESID 3 DATA SEQUENCE NETHYAEAVI DNGAFGTRTI RFETGRLARQ AAGSAVAYLD DDTMVLSATT DATA SEQUENCE ASKNPKDQLD FFPLTVDVEE RMYAAGKIPG SFFRREGRPS EDAILTCRLI DATA SEQUENCE DRPLRPSFKK GLRNEIQVVA TIMALNPDHL YDVVAINAAS ASTQLAGLPF DATA SEQUENCE SGPIGGVRVA LIRGQWVAFP THTELEDAVF DMVVAGRVLE DGDVAIMMVE DATA SEQUENCE AEATEKTIQL VKDGAEAPTE EVVAAGLDAA KPFIKVLCKA QADLAAKAAK DATA SEQUENCE PTGEFPVFLD YQDDVLEALS AAVRPELSAA LTIAGKQDRE AELDRVKALA DATA SEQUENCE AEKLLPEFEG REKEISAAYR ALTKSLVRER VIAEKKRIDG RGVTDIRTLA DATA SEQUENCE AEVEAIPRVH GSALFERGET QILGVTTLNM LRMEQQLDTL SPVTRKRYMH DATA SEQUENCE NYNFPPYSVG ETGRVGSPKR REIGHGALAE RAIVPVLPTR EEFPYAIRQV DATA SEQUENCE SEALGSNGST SMGSVCASTM SLLNAGVPLK APVAGIAMGL ISQEINGETH DATA SEQUENCE YVALTDILGA EDAFGDMDFK VAGTKEFVTA LQLDTKLDGI PASVLAAALK DATA SEQUENCE QARDARLHIL DVMMEAIDTP DEMSPNAPRI ITVXXXXXXX XXXXXXXXXX DATA SEQUENCE XNQIQEDTGA EIXXXXXXXX YIGAADGPAA EAXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXGSVVKTX TFGAFVSLLX XXDGLLHXXX XXXXXXXXXX XXXXXXLGVG DATA SEQUENCE QKVQVEIAEI DSRGK 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.492 175.510 -0.030 0.000 1.280 3 N CA 0.000 53.052 53.050 0.003 0.000 0.885 3 N CB 0.000 38.489 38.487 0.003 0.000 1.341 4 E N 0.636 120.792 120.200 -0.073 0.000 2.312 4 E HA 0.403 4.757 4.350 0.007 0.000 0.267 4 E C -1.148 175.224 176.600 -0.379 0.000 0.894 4 E CA -0.624 55.661 56.400 -0.191 0.000 0.773 4 E CB 1.863 31.441 29.700 -0.203 0.000 1.241 4 E HN 0.138 nan 8.360 nan 0.000 0.432 5 T N 2.081 116.434 114.554 -0.336 0.000 2.817 5 T HA 0.262 4.616 4.350 0.007 0.000 0.293 5 T C -0.981 173.412 174.700 -0.513 0.000 0.964 5 T CA -0.362 61.524 62.100 -0.357 0.000 1.085 5 T CB 0.230 68.993 68.868 -0.175 0.000 0.921 5 T HN 0.361 nan 8.240 nan 0.000 0.502 6 H N 3.500 122.436 119.070 -0.224 0.000 2.622 6 H HA 0.456 5.016 4.556 0.006 0.000 0.363 6 H C -1.056 174.095 175.328 -0.295 0.000 1.151 6 H CA -0.285 55.691 56.048 -0.120 0.000 1.184 6 H CB 1.310 31.052 29.762 -0.034 0.000 1.643 6 H HN 0.616 nan 8.280 nan 0.000 0.531 7 Y N -0.385 120.042 120.300 0.211 0.000 2.634 7 Y HA 0.651 5.205 4.550 0.007 0.000 0.340 7 Y C -0.213 175.791 175.900 0.173 0.000 1.058 7 Y CA -0.946 57.265 58.100 0.184 0.000 1.081 7 Y CB 2.017 40.556 38.460 0.133 0.000 1.295 7 Y HN 0.787 nan 8.280 nan 0.000 0.487 8 A N 0.573 123.626 122.820 0.388 0.000 2.605 8 A HA 0.717 5.041 4.320 0.007 0.000 0.294 8 A C -1.747 176.044 177.584 0.346 0.000 1.062 8 A CA -0.897 51.316 52.037 0.293 0.000 0.682 8 A CB 1.659 20.788 19.000 0.216 0.000 1.278 8 A HN 0.694 nan 8.150 nan 0.000 0.410 9 E N 0.012 120.365 120.200 0.255 0.000 2.293 9 E HA 0.633 4.987 4.350 0.007 0.000 0.270 9 E C -0.757 175.970 176.600 0.211 0.000 0.879 9 E CA -0.926 55.607 56.400 0.222 0.000 0.756 9 E CB 2.515 32.289 29.700 0.123 0.000 1.208 9 E HN 0.985 nan 8.360 nan 0.000 0.428 10 A N 2.359 125.303 122.820 0.207 0.000 2.293 10 A HA 0.429 4.753 4.320 0.007 0.000 0.312 10 A C -0.490 177.164 177.584 0.117 0.000 1.309 10 A CA -0.585 51.569 52.037 0.196 0.000 0.839 10 A CB 0.563 19.734 19.000 0.286 0.000 1.155 10 A HN 0.332 nan 8.150 nan 0.000 0.501 11 V N 4.683 124.667 119.914 0.116 0.000 2.427 11 V HA 0.163 4.287 4.120 0.007 0.000 0.268 11 V C -0.108 176.081 176.094 0.159 0.000 1.046 11 V CA -0.172 62.187 62.300 0.099 0.000 0.970 11 V CB 0.732 32.605 31.823 0.084 0.000 1.001 11 V HN 0.648 nan 8.190 nan 0.000 0.476 12 I N 4.411 125.067 120.570 0.144 0.000 2.306 12 I HA 0.310 4.483 4.170 0.007 0.000 0.288 12 I C 0.015 176.269 176.117 0.229 0.000 1.036 12 I CA -0.336 61.113 61.300 0.249 0.000 1.221 12 I CB 1.092 39.173 38.000 0.136 0.000 1.385 12 I HN 0.552 nan 8.210 nan 0.000 0.472 13 D N 6.091 126.686 120.400 0.326 0.000 2.396 13 D HA 0.182 4.826 4.640 0.007 0.000 0.225 13 D C 0.321 176.804 176.300 0.306 0.000 1.121 13 D CA -0.098 54.050 54.000 0.247 0.000 0.853 13 D CB 0.701 41.611 40.800 0.183 0.000 1.043 13 D HN 0.265 nan 8.370 nan 0.000 0.500 14 N N 2.852 121.694 118.700 0.238 0.000 2.279 14 N HA 0.192 4.936 4.740 0.007 0.000 0.226 14 N C 1.217 176.889 175.510 0.270 0.000 1.126 14 N CA 0.310 53.519 53.050 0.265 0.000 0.846 14 N CB 0.804 39.422 38.487 0.218 0.000 1.050 14 N HN 0.702 nan 8.380 nan 0.000 0.502 15 G N 2.068 110.983 108.800 0.192 0.000 2.660 15 G HA2 -0.456 3.508 3.960 0.007 0.000 0.321 15 G HA3 -0.456 3.508 3.960 0.007 0.000 0.321 15 G C 1.177 176.127 174.900 0.083 0.000 1.246 15 G CA 1.061 46.239 45.100 0.131 0.000 1.000 15 G HN 0.428 nan 8.290 nan 0.000 0.550 16 A N -1.116 121.711 122.820 0.011 0.000 2.076 16 A HA 0.254 4.578 4.320 0.007 0.000 0.220 16 A C 2.121 179.570 177.584 -0.225 0.000 1.160 16 A CA 2.378 54.324 52.037 -0.152 0.000 0.653 16 A CB -0.416 18.406 19.000 -0.297 0.000 0.801 16 A HN 0.778 nan 8.150 nan 0.000 0.455 17 F N -0.583 119.387 119.950 0.033 0.000 2.811 17 F HA 0.380 4.911 4.527 0.007 0.000 0.301 17 F C 1.582 177.400 175.800 0.030 0.000 1.151 17 F CA 0.689 58.705 58.000 0.027 0.000 1.412 17 F CB -0.203 38.812 39.000 0.024 0.000 1.113 17 F HN 0.469 nan 8.300 nan 0.000 0.579 18 G N -0.094 108.801 108.800 0.159 0.000 2.566 18 G HA2 -0.057 3.906 3.960 0.007 0.000 0.599 18 G HA3 -0.057 3.906 3.960 0.007 0.000 0.599 18 G C -0.721 174.248 174.900 0.116 0.000 1.292 18 G CA -0.826 44.340 45.100 0.111 0.000 0.922 18 G HN 0.015 nan 8.290 nan 0.000 0.514 19 T N 1.550 116.154 114.554 0.082 0.000 2.863 19 T HA 0.811 5.165 4.350 0.007 0.000 0.285 19 T C 0.138 174.863 174.700 0.042 0.000 1.009 19 T CA -0.626 61.519 62.100 0.076 0.000 0.989 19 T CB 1.527 70.435 68.868 0.067 0.000 1.004 19 T HN 0.911 nan 8.240 nan 0.000 0.455 20 R N 0.809 121.320 120.500 0.018 0.000 2.855 20 R HA 0.815 5.158 4.340 0.007 0.000 0.266 20 R C -1.436 174.820 176.300 -0.073 0.000 1.034 20 R CA -0.878 55.195 56.100 -0.045 0.000 0.944 20 R CB 0.797 31.033 30.300 -0.108 0.000 1.219 20 R HN 0.548 nan 8.270 nan 0.000 0.474 21 T N 1.147 115.630 114.554 -0.118 0.000 2.893 21 T HA 0.477 4.830 4.350 0.007 0.000 0.293 21 T C -0.390 174.186 174.700 -0.207 0.000 1.027 21 T CA -0.678 61.352 62.100 -0.117 0.000 0.988 21 T CB 1.436 70.273 68.868 -0.051 0.000 1.043 21 T HN 0.342 nan 8.240 nan 0.000 0.461 22 I N 2.989 123.417 120.570 -0.236 0.000 2.328 22 I HA 0.389 4.563 4.170 0.007 0.000 0.287 22 I C 0.395 176.332 176.117 -0.299 0.000 1.012 22 I CA -0.510 60.572 61.300 -0.364 0.000 1.195 22 I CB 1.046 38.776 38.000 -0.450 0.000 1.350 22 I HN 0.473 nan 8.210 nan 0.000 0.464 23 R N 6.253 126.624 120.500 -0.216 0.000 2.346 23 R HA 0.551 4.895 4.340 0.007 0.000 0.311 23 R C -1.512 174.730 176.300 -0.097 0.000 0.983 23 R CA -0.406 55.679 56.100 -0.025 0.000 0.880 23 R CB 1.050 31.420 30.300 0.116 0.000 1.100 23 R HN 0.210 nan 8.270 nan 0.000 0.453 24 F N 2.045 122.122 119.950 0.212 0.000 2.450 24 F HA 0.375 4.906 4.527 0.006 0.000 0.332 24 F C 0.473 176.380 175.800 0.178 0.000 1.093 24 F CA -0.430 57.666 58.000 0.160 0.000 1.003 24 F CB 1.657 40.717 39.000 0.100 0.000 1.151 24 F HN 0.474 nan 8.300 nan 0.000 0.474 25 E N 0.950 121.306 120.200 0.262 0.000 2.367 25 E HA 0.625 4.979 4.350 0.007 0.000 0.273 25 E C -1.626 174.966 176.600 -0.014 0.000 0.903 25 E CA -0.596 55.812 56.400 0.014 0.000 0.764 25 E CB 2.577 32.337 29.700 0.101 0.000 1.252 25 E HN 0.649 nan 8.360 nan 0.000 0.446 26 T N 0.913 115.396 114.554 -0.119 0.000 2.957 26 T HA 0.547 4.901 4.350 0.007 0.000 0.336 26 T C 0.125 174.788 174.700 -0.061 0.000 1.462 26 T CA 0.654 62.733 62.100 -0.035 0.000 1.073 26 T CB 1.052 69.941 68.868 0.035 0.000 1.319 26 T HN 0.897 nan 8.240 nan 0.000 0.485 27 G N 3.098 111.882 108.800 -0.028 0.000 2.231 27 G HA2 -0.187 3.777 3.960 0.007 0.000 0.206 27 G HA3 -0.187 3.777 3.960 0.007 0.000 0.206 27 G C 0.806 175.679 174.900 -0.044 0.000 0.996 27 G CA 0.797 45.876 45.100 -0.036 0.000 0.645 27 G HN 0.845 nan 8.290 nan 0.000 0.498 28 R N -0.817 119.657 120.500 -0.043 0.000 2.103 28 R HA 0.478 4.822 4.340 0.007 0.000 0.212 28 R C 0.327 176.629 176.300 0.004 0.000 1.107 28 R CA 0.484 56.575 56.100 -0.015 0.000 1.025 28 R CB -0.046 30.255 30.300 0.002 0.000 0.929 28 R HN 0.255 nan 8.270 nan 0.000 0.456 29 L N 0.632 121.859 121.223 0.007 0.000 2.334 29 L HA 0.468 4.812 4.340 0.007 0.000 0.272 29 L C -0.133 176.742 176.870 0.009 0.000 1.020 29 L CA -0.182 54.666 54.840 0.012 0.000 0.812 29 L CB 1.297 43.366 42.059 0.016 0.000 1.264 29 L HN 0.344 nan 8.230 nan 0.000 0.439 30 A N 2.422 125.248 122.820 0.011 0.000 2.362 30 A HA -0.244 4.080 4.320 0.007 0.000 0.290 30 A C 1.359 178.950 177.584 0.013 0.000 1.441 30 A CA 1.045 53.089 52.037 0.011 0.000 0.743 30 A CB -1.509 17.497 19.000 0.009 0.000 1.125 30 A HN 0.815 nan 8.150 nan 0.000 0.378 31 R N -0.565 119.943 120.500 0.013 0.000 2.307 31 R HA -0.042 4.302 4.340 0.007 0.000 0.199 31 R C 1.500 177.811 176.300 0.019 0.000 1.000 31 R CA 1.131 57.240 56.100 0.016 0.000 1.023 31 R CB 0.043 30.351 30.300 0.013 0.000 0.908 31 R HN 0.724 nan 8.270 nan 0.000 0.473 32 Q N 0.007 119.817 119.800 0.017 0.000 2.408 32 Q HA 0.206 4.550 4.340 0.007 0.000 0.205 32 Q C 0.502 176.516 176.000 0.023 0.000 0.919 32 Q CA 0.266 56.080 55.803 0.019 0.000 0.932 32 Q CB 0.496 29.244 28.738 0.016 0.000 1.058 32 Q HN 0.223 nan 8.270 nan 0.000 0.517 33 A N 0.523 123.356 122.820 0.022 0.000 2.351 33 A HA 0.503 4.827 4.320 0.007 0.000 0.257 33 A C 1.357 178.962 177.584 0.035 0.000 1.087 33 A CA 0.486 52.538 52.037 0.025 0.000 0.798 33 A CB 0.436 19.448 19.000 0.020 0.000 1.033 33 A HN 0.239 nan 8.150 nan 0.000 0.488 34 A N 1.640 124.487 122.820 0.044 0.000 1.908 34 A HA 0.312 4.636 4.320 0.007 0.000 0.218 34 A C 1.259 178.874 177.584 0.052 0.000 1.181 34 A CA 1.924 53.997 52.037 0.060 0.000 0.627 34 A CB -0.646 18.402 19.000 0.081 0.000 0.818 34 A HN 1.914 nan 8.150 nan 0.000 0.445 35 G N -1.994 106.829 108.800 0.039 0.000 2.682 35 G HA2 0.504 4.468 3.960 0.007 0.000 0.300 35 G HA3 0.504 4.468 3.960 0.007 0.000 0.300 35 G C -1.025 173.889 174.900 0.023 0.000 1.391 35 G CA 0.493 45.611 45.100 0.032 0.000 0.990 35 G HN 0.662 nan 8.290 nan 0.000 0.501 36 S N -0.327 115.389 115.700 0.026 0.000 2.536 36 S HA 0.903 5.377 4.470 0.007 0.000 0.271 36 S C -0.595 174.023 174.600 0.029 0.000 1.134 36 S CA 0.218 58.431 58.200 0.022 0.000 0.897 36 S CB 1.596 64.806 63.200 0.018 0.000 1.094 36 S HN 2.135 nan 8.310 nan 0.000 0.473 37 A N 2.781 125.620 122.820 0.032 0.000 2.604 37 A HA 0.776 5.100 4.320 0.007 0.000 0.295 37 A C -1.611 175.988 177.584 0.025 0.000 1.067 37 A CA -0.577 51.493 52.037 0.055 0.000 0.683 37 A CB 1.413 20.480 19.000 0.111 0.000 1.281 37 A HN 0.968 nan 8.150 nan 0.000 0.407 38 V N 0.223 120.139 119.914 0.004 0.000 2.715 38 V HA 0.842 4.965 4.120 0.007 0.000 0.310 38 V C 0.274 176.261 176.094 -0.179 0.000 1.054 38 V CA -0.082 62.126 62.300 -0.154 0.000 0.928 38 V CB 1.778 33.438 31.823 -0.270 0.000 1.007 38 V HN 1.664 nan 8.190 nan 0.000 0.437 39 A N 3.585 126.203 122.820 -0.336 0.000 2.335 39 A HA 0.840 5.164 4.320 0.007 0.000 0.304 39 A C -1.520 175.813 177.584 -0.417 0.000 1.118 39 A CA -0.392 51.417 52.037 -0.380 0.000 0.757 39 A CB 0.679 19.507 19.000 -0.286 0.000 1.188 39 A HN 0.698 nan 8.150 nan 0.000 0.460 40 Y N 1.401 121.583 120.300 -0.197 0.000 2.409 40 Y HA 0.589 5.143 4.550 0.007 0.000 0.339 40 Y C -0.074 175.716 175.900 -0.184 0.000 1.033 40 Y CA -1.030 56.999 58.100 -0.118 0.000 1.094 40 Y CB 1.927 40.355 38.460 -0.054 0.000 1.210 40 Y HN 0.564 nan 8.280 nan 0.000 0.456 41 L N 4.176 125.417 121.223 0.030 0.000 2.280 41 L HA 0.457 4.801 4.340 0.007 0.000 0.287 41 L C -0.337 176.530 176.870 -0.005 0.000 1.023 41 L CA -0.650 54.118 54.840 -0.119 0.000 0.819 41 L CB 0.202 42.148 42.059 -0.188 0.000 1.212 41 L HN 0.730 nan 8.230 nan 0.000 0.420 42 D N 3.587 123.955 120.400 -0.052 0.000 2.701 42 D HA -0.241 4.403 4.640 0.007 0.000 0.235 42 D C 0.236 176.557 176.300 0.034 0.000 1.155 42 D CA 1.300 55.302 54.000 0.002 0.000 0.649 42 D CB -0.610 40.222 40.800 0.054 0.000 1.050 42 D HN 0.882 nan 8.370 nan 0.000 0.425 43 D N -1.756 118.652 120.400 0.013 0.000 3.059 43 D HA -0.254 4.390 4.640 0.007 0.000 0.222 43 D C 0.886 177.211 176.300 0.041 0.000 1.185 43 D CA 1.548 55.506 54.000 -0.071 0.000 0.904 43 D CB -0.349 40.363 40.800 -0.145 0.000 1.122 43 D HN 0.482 nan 8.370 nan 0.000 0.410 44 D N -0.673 119.812 120.400 0.141 0.000 2.840 44 D HA 0.030 4.674 4.640 0.007 0.000 0.277 44 D C 0.199 176.611 176.300 0.188 0.000 1.066 44 D CA 0.787 54.873 54.000 0.144 0.000 0.979 44 D CB 0.423 41.308 40.800 0.142 0.000 1.157 44 D HN 0.008 nan 8.370 nan 0.000 0.466 45 T N 1.436 116.137 114.554 0.245 0.000 2.817 45 T HA 0.383 4.737 4.350 0.007 0.000 0.293 45 T C 0.060 174.852 174.700 0.155 0.000 0.964 45 T CA -0.118 62.109 62.100 0.211 0.000 1.085 45 T CB 1.056 70.103 68.868 0.298 0.000 0.921 45 T HN 0.038 nan 8.240 nan 0.000 0.502 46 M N 3.995 123.642 119.600 0.078 0.000 2.395 46 M HA 0.675 5.159 4.480 0.007 0.000 0.307 46 M C -2.005 174.222 176.300 -0.122 0.000 1.091 46 M CA -0.748 54.498 55.300 -0.090 0.000 0.919 46 M CB 1.506 34.079 32.600 -0.046 0.000 1.662 46 M HN 0.338 nan 8.290 nan 0.000 0.440 47 V N 5.191 124.983 119.914 -0.203 0.000 2.623 47 V HA 0.483 4.607 4.120 0.007 0.000 0.304 47 V C -1.109 174.891 176.094 -0.157 0.000 1.054 47 V CA -0.795 61.420 62.300 -0.142 0.000 0.882 47 V CB 1.886 33.660 31.823 -0.081 0.000 1.002 47 V HN 0.843 nan 8.190 nan 0.000 0.424 48 L N 4.105 125.263 121.223 -0.109 0.000 2.322 48 L HA 0.872 5.216 4.340 0.007 0.000 0.279 48 L C -0.057 176.786 176.870 -0.044 0.000 1.036 48 L CA 0.573 55.366 54.840 -0.079 0.000 0.807 48 L CB 1.988 44.016 42.059 -0.051 0.000 1.226 48 L HN 0.675 nan 8.230 nan 0.000 0.433 49 S N 3.721 119.409 115.700 -0.021 0.000 2.594 49 S HA 0.901 5.375 4.470 0.007 0.000 0.296 49 S C -1.016 173.585 174.600 0.002 0.000 1.124 49 S CA -0.141 58.057 58.200 -0.003 0.000 1.011 49 S CB 1.134 64.345 63.200 0.018 0.000 1.016 49 S HN 1.082 nan 8.310 nan 0.000 0.485 50 A N 3.740 126.559 122.820 -0.002 0.000 2.330 50 A HA 0.761 5.085 4.320 0.007 0.000 0.313 50 A C -0.291 177.293 177.584 -0.000 0.000 1.124 50 A CA -0.584 51.454 52.037 0.002 0.000 0.774 50 A CB 1.401 20.402 19.000 0.002 0.000 1.198 50 A HN 0.665 nan 8.150 nan 0.000 0.465 51 T N 2.354 116.910 114.554 0.003 0.000 2.797 51 T HA 0.722 5.076 4.350 0.007 0.000 0.279 51 T C 0.033 174.742 174.700 0.015 0.000 0.991 51 T CA -0.147 61.954 62.100 0.001 0.000 0.979 51 T CB 1.314 70.176 68.868 -0.009 0.000 0.943 51 T HN 0.952 nan 8.240 nan 0.000 0.444 52 T N -0.363 114.199 114.554 0.013 0.000 2.906 52 T HA 0.870 5.223 4.350 0.007 0.000 0.295 52 T C -1.012 173.706 174.700 0.029 0.000 1.075 52 T CA -1.093 61.023 62.100 0.027 0.000 1.005 52 T CB 1.985 70.865 68.868 0.019 0.000 1.136 52 T HN 0.709 nan 8.240 nan 0.000 0.498 53 A N 1.462 124.318 122.820 0.061 0.000 2.393 53 A HA 0.796 5.120 4.320 0.007 0.000 0.306 53 A C 0.196 177.836 177.584 0.093 0.000 1.050 53 A CA -0.774 51.309 52.037 0.077 0.000 0.724 53 A CB 1.322 20.406 19.000 0.140 0.000 1.248 53 A HN 1.458 nan 8.150 nan 0.000 0.424 54 S N 2.288 118.032 115.700 0.074 0.000 2.565 54 S HA 0.247 4.721 4.470 0.007 0.000 0.276 54 S C 0.932 175.602 174.600 0.116 0.000 1.326 54 S CA -0.395 57.847 58.200 0.069 0.000 1.045 54 S CB 0.958 64.180 63.200 0.037 0.000 0.918 54 S HN 0.681 nan 8.310 nan 0.000 0.505 55 K N 2.949 123.404 120.400 0.093 0.000 2.057 55 K HA -0.081 4.243 4.320 0.007 0.000 0.207 55 K C -0.019 176.643 176.600 0.103 0.000 1.049 55 K CA 1.057 57.401 56.287 0.095 0.000 0.931 55 K CB -1.241 31.290 32.500 0.053 0.000 0.714 55 K HN 0.604 nan 8.250 nan 0.000 0.440 56 N N 2.943 121.691 118.700 0.079 0.000 2.472 56 N HA 0.169 4.913 4.740 0.007 0.000 0.277 56 N C -2.629 172.932 175.510 0.085 0.000 1.081 56 N CA -1.603 51.493 53.050 0.076 0.000 0.973 56 N CB 1.256 39.767 38.487 0.041 0.000 1.105 56 N HN 0.060 nan 8.380 nan 0.000 0.470 57 P HA 0.141 nan 4.420 nan 0.000 0.278 57 P C -0.980 176.294 177.300 -0.044 0.000 1.238 57 P CA -0.348 62.817 63.100 0.107 0.000 0.794 57 P CB 0.880 32.762 31.700 0.302 0.000 0.955 58 K N 2.451 122.778 120.400 -0.121 0.000 2.535 58 K HA 0.092 4.416 4.320 0.007 0.000 0.242 58 K C 0.401 176.793 176.600 -0.346 0.000 1.210 58 K CA -0.004 56.165 56.287 -0.196 0.000 1.178 58 K CB -0.630 31.759 32.500 -0.186 0.000 1.778 58 K HN 0.463 nan 8.250 nan 0.000 0.372 59 D N 0.002 120.102 120.400 -0.500 0.000 2.315 59 D HA -0.255 4.389 4.640 0.007 0.000 0.211 59 D C 1.007 177.028 176.300 -0.464 0.000 0.977 59 D CA 1.227 54.725 54.000 -0.837 0.000 0.894 59 D CB 0.165 40.403 40.800 -0.937 0.000 0.910 59 D HN 0.252 nan 8.370 nan 0.000 0.490 60 Q N 0.252 119.874 119.800 -0.296 0.000 2.119 60 Q HA 0.080 4.424 4.340 0.007 0.000 0.201 60 Q C 0.695 176.576 176.000 -0.199 0.000 0.972 60 Q CA 0.571 56.259 55.803 -0.192 0.000 0.847 60 Q CB -0.237 28.421 28.738 -0.134 0.000 0.903 60 Q HN 0.404 nan 8.270 nan 0.000 0.433 61 L N 2.192 123.237 121.223 -0.296 0.000 2.452 61 L HA 0.068 4.412 4.340 0.007 0.000 0.267 61 L C 0.230 176.915 176.870 -0.307 0.000 1.188 61 L CA -0.301 54.300 54.840 -0.399 0.000 0.821 61 L CB 0.417 41.987 42.059 -0.815 0.000 1.102 61 L HN 0.267 nan 8.230 nan 0.000 0.470 62 D N 0.255 120.547 120.400 -0.179 0.000 2.424 62 D HA 0.148 4.792 4.640 0.007 0.000 0.220 62 D C -0.411 175.952 176.300 0.106 0.000 1.150 62 D CA -0.129 53.868 54.000 -0.005 0.000 0.831 62 D CB -0.029 40.825 40.800 0.089 0.000 0.981 62 D HN 0.241 nan 8.370 nan 0.000 0.500 63 F N -1.685 118.289 119.950 0.040 0.000 2.613 63 F HA 0.575 5.107 4.527 0.008 0.000 0.310 63 F C -1.098 174.765 175.800 0.106 0.000 1.085 63 F CA -2.389 55.653 58.000 0.070 0.000 0.945 63 F CB 0.850 39.870 39.000 0.034 0.000 1.298 63 F HN -0.226 nan 8.300 nan 0.000 0.455 64 F N 5.741 125.785 119.950 0.157 0.000 2.541 64 F HA 0.423 4.953 4.527 0.005 0.000 0.378 64 F C -2.283 173.600 175.800 0.138 0.000 1.068 64 F CA -3.303 54.718 58.000 0.034 0.000 1.199 64 F CB 0.520 39.533 39.000 0.023 0.000 1.091 64 F HN 0.320 nan 8.300 nan 0.000 0.555 65 P HA 0.143 nan 4.420 nan 0.000 0.247 65 P C -0.926 175.956 177.300 -0.697 0.000 1.756 65 P CA -0.210 62.704 63.100 -0.310 0.000 1.117 65 P CB 0.704 32.271 31.700 -0.221 0.000 1.869 66 L N 3.286 124.005 121.223 -0.839 0.000 2.307 66 L HA 0.568 4.912 4.340 0.007 0.000 0.282 66 L C -0.319 176.358 176.870 -0.323 0.000 1.051 66 L CA 0.376 54.776 54.840 -0.734 0.000 0.804 66 L CB 1.547 43.184 42.059 -0.703 0.000 1.197 66 L HN 0.080 nan 8.230 nan 0.000 0.431 67 T N 4.401 118.817 114.554 -0.230 0.000 2.881 67 T HA 0.589 4.943 4.350 0.007 0.000 0.291 67 T C -1.007 173.640 174.700 -0.089 0.000 0.990 67 T CA -0.400 61.621 62.100 -0.130 0.000 0.976 67 T CB 1.422 70.228 68.868 -0.103 0.000 0.970 67 T HN 0.341 nan 8.240 nan 0.000 0.438 68 V N 3.735 123.613 119.914 -0.060 0.000 2.495 68 V HA 0.544 4.668 4.120 0.007 0.000 0.298 68 V C -0.661 175.418 176.094 -0.025 0.000 1.031 68 V CA -0.827 61.455 62.300 -0.031 0.000 0.871 68 V CB 1.928 33.746 31.823 -0.009 0.000 0.988 68 V HN 0.832 nan 8.190 nan 0.000 0.432 69 D N 2.845 123.233 120.400 -0.019 0.000 2.646 69 D HA 0.535 5.179 4.640 0.007 0.000 0.245 69 D C -1.093 175.199 176.300 -0.013 0.000 1.099 69 D CA -0.205 53.784 54.000 -0.018 0.000 0.849 69 D CB 2.897 43.681 40.800 -0.025 0.000 1.448 69 D HN 0.256 nan 8.370 nan 0.000 0.489 70 V N 2.643 122.552 119.914 -0.007 0.000 2.409 70 V HA 0.204 4.328 4.120 0.007 0.000 0.291 70 V C -0.065 176.003 176.094 -0.045 0.000 1.020 70 V CA -0.648 61.644 62.300 -0.013 0.000 0.848 70 V CB 1.869 33.718 31.823 0.044 0.000 0.990 70 V HN 0.341 nan 8.190 nan 0.000 0.430 71 E N 4.006 124.154 120.200 -0.086 0.000 2.073 71 E HA 0.320 4.673 4.350 0.007 0.000 0.269 71 E C -0.532 175.961 176.600 -0.179 0.000 0.917 71 E CA -0.354 55.982 56.400 -0.106 0.000 0.757 71 E CB 1.850 31.497 29.700 -0.089 0.000 1.111 71 E HN 0.660 nan 8.360 nan 0.000 0.410 72 E N 2.778 122.875 120.200 -0.172 0.000 2.180 72 E HA 0.159 4.513 4.350 0.007 0.000 0.283 72 E C -0.191 176.260 176.600 -0.249 0.000 1.061 72 E CA -0.407 55.855 56.400 -0.230 0.000 0.861 72 E CB 0.936 30.558 29.700 -0.130 0.000 1.056 72 E HN -0.045 nan 8.360 nan 0.000 0.407 73 R N 3.619 123.891 120.500 -0.380 0.000 2.198 73 R HA 0.188 4.532 4.340 0.007 0.000 0.339 73 R C 0.907 176.888 176.300 -0.532 0.000 1.020 73 R CA -0.478 55.254 56.100 -0.614 0.000 0.864 73 R CB 0.816 30.407 30.300 -1.182 0.000 1.105 73 R HN 0.576 nan 8.270 nan 0.000 0.463 74 M N 2.398 121.812 119.600 -0.310 0.000 2.435 74 M HA -0.147 4.337 4.480 0.007 0.000 0.262 74 M C 1.313 177.575 176.300 -0.064 0.000 1.065 74 M CA 1.377 56.594 55.300 -0.138 0.000 1.076 74 M CB -0.709 31.860 32.600 -0.051 0.000 1.403 74 M HN 0.495 nan 8.290 nan 0.000 0.454 75 Y N -1.102 119.196 120.300 -0.004 0.000 2.509 75 Y HA 0.331 4.885 4.550 0.006 0.000 0.293 75 Y C 2.122 178.022 175.900 -0.001 0.000 1.133 75 Y CA 0.434 58.533 58.100 -0.001 0.000 1.283 75 Y CB -1.731 36.728 38.460 -0.002 0.000 1.001 75 Y HN 0.132 nan 8.280 nan 0.000 0.555 76 A N 0.906 123.797 122.820 0.119 0.000 2.125 76 A HA 0.214 4.538 4.320 0.007 0.000 0.219 76 A C 2.150 179.786 177.584 0.087 0.000 1.156 76 A CA 1.296 53.410 52.037 0.130 0.000 0.671 76 A CB -0.915 18.068 19.000 -0.027 0.000 0.794 76 A HN 0.632 nan 8.150 nan 0.000 0.459 77 A N -2.000 120.858 122.820 0.063 0.000 2.470 77 A HA 0.476 4.799 4.320 0.007 0.000 0.251 77 A C 1.487 179.105 177.584 0.057 0.000 1.245 77 A CA 0.862 52.929 52.037 0.051 0.000 0.932 77 A CB -0.681 18.340 19.000 0.035 0.000 1.037 77 A HN 1.750 nan 8.150 nan 0.000 0.522 78 G N 0.275 109.127 108.800 0.087 0.000 2.249 78 G HA2 -0.267 3.697 3.960 0.007 0.000 0.273 78 G HA3 -0.267 3.697 3.960 0.007 0.000 0.273 78 G C -0.005 174.931 174.900 0.060 0.000 1.036 78 G CA 0.865 46.010 45.100 0.075 0.000 0.824 78 G HN 0.581 nan 8.290 nan 0.000 0.504 79 K N -0.653 119.785 120.400 0.063 0.000 2.316 79 K HA 0.644 4.968 4.320 0.007 0.000 0.251 79 K C 0.128 176.759 176.600 0.051 0.000 0.934 79 K CA -1.010 55.304 56.287 0.045 0.000 0.802 79 K CB 2.005 34.523 32.500 0.030 0.000 1.171 79 K HN 0.147 nan 8.250 nan 0.000 0.426 80 I N 3.825 124.420 120.570 0.041 0.000 2.342 80 I HA 0.183 4.357 4.170 0.007 0.000 0.291 80 I C -2.042 174.094 176.117 0.031 0.000 1.010 80 I CA -2.309 59.016 61.300 0.041 0.000 1.308 80 I CB 1.197 39.216 38.000 0.032 0.000 1.400 80 I HN 0.266 nan 8.210 nan 0.000 0.488 81 P HA -0.042 nan 4.420 nan 0.000 0.263 81 P C 0.821 178.142 177.300 0.034 0.000 1.175 81 P CA 0.245 63.363 63.100 0.030 0.000 0.761 81 P CB 0.573 32.294 31.700 0.035 0.000 0.794 82 G N 1.871 110.693 108.800 0.036 0.000 2.813 82 G HA2 -0.044 3.920 3.960 0.007 0.000 0.209 82 G HA3 -0.044 3.920 3.960 0.007 0.000 0.209 82 G C 0.493 175.427 174.900 0.056 0.000 1.150 82 G CA 0.145 45.267 45.100 0.038 0.000 0.785 82 G HN 0.644 nan 8.290 nan 0.000 0.535 83 S N -0.462 115.282 115.700 0.073 0.000 2.566 83 S HA 0.086 4.560 4.470 0.007 0.000 0.280 83 S C 1.133 175.803 174.600 0.117 0.000 1.343 83 S CA -0.412 57.857 58.200 0.115 0.000 1.036 83 S CB 0.556 63.846 63.200 0.150 0.000 0.866 83 S HN 0.203 nan 8.310 nan 0.000 0.526 84 F N 1.845 121.749 119.950 -0.078 0.000 2.115 84 F HA -0.077 4.453 4.527 0.006 0.000 0.300 84 F C 1.262 176.863 175.800 -0.332 0.000 1.092 84 F CA 1.124 58.967 58.000 -0.262 0.000 1.245 84 F CB -0.591 38.137 39.000 -0.453 0.000 0.995 84 F HN 0.630 nan 8.300 nan 0.000 0.481 85 F N 0.669 120.575 119.950 -0.072 0.000 2.773 85 F HA 0.225 4.757 4.527 0.007 0.000 0.304 85 F C 0.790 176.524 175.800 -0.110 0.000 1.129 85 F CA -0.010 57.885 58.000 -0.175 0.000 1.378 85 F CB -0.343 38.622 39.000 -0.057 0.000 1.095 85 F HN -0.235 nan 8.300 nan 0.000 0.565 86 R N 1.126 121.653 120.500 0.045 0.000 3.405 86 R HA -0.242 4.102 4.340 0.007 0.000 0.258 86 R C -0.177 176.159 176.300 0.061 0.000 1.030 86 R CA 0.445 56.566 56.100 0.034 0.000 0.691 86 R CB -2.034 28.260 30.300 -0.010 0.000 1.093 86 R HN 0.468 nan 8.270 nan 0.000 0.448 87 R N 1.053 121.606 120.500 0.089 0.000 2.515 87 R HA 0.089 4.433 4.340 0.007 0.000 0.278 87 R C -0.213 176.119 176.300 0.053 0.000 1.107 87 R CA -0.667 55.471 56.100 0.063 0.000 0.945 87 R CB 1.325 31.660 30.300 0.058 0.000 1.219 87 R HN 0.147 nan 8.270 nan 0.000 0.434 88 E N 2.922 123.134 120.200 0.020 0.000 2.452 88 E HA 0.106 4.460 4.350 0.007 0.000 0.261 88 E C -0.447 176.159 176.600 0.010 0.000 0.987 88 E CA 0.340 56.744 56.400 0.007 0.000 0.926 88 E CB 1.319 30.999 29.700 -0.034 0.000 0.934 88 E HN 0.777 nan 8.360 nan 0.000 0.452 89 G N 3.037 111.849 108.800 0.020 0.000 3.069 89 G HA2 0.082 4.045 3.960 0.007 0.000 0.205 89 G HA3 0.082 4.045 3.960 0.007 0.000 0.205 89 G C -0.175 174.729 174.900 0.006 0.000 1.771 89 G CA -0.686 44.422 45.100 0.014 0.000 0.739 89 G HN 0.544 nan 8.290 nan 0.000 0.784 90 R N 1.946 122.455 120.500 0.015 0.000 2.458 90 R HA 0.191 4.535 4.340 0.007 0.000 0.303 90 R C -2.635 173.671 176.300 0.009 0.000 1.013 90 R CA -1.090 55.015 56.100 0.009 0.000 1.026 90 R CB -1.085 29.224 30.300 0.015 0.000 0.948 90 R HN 0.061 nan 8.270 nan 0.000 0.417 91 P HA -0.086 nan 4.420 nan 0.000 0.263 91 P C -0.148 177.162 177.300 0.017 0.000 1.168 91 P CA 0.461 63.566 63.100 0.008 0.000 0.759 91 P CB 0.337 32.039 31.700 0.003 0.000 0.782 92 S N 1.087 116.804 115.700 0.028 0.000 2.634 92 S HA 0.104 4.578 4.470 0.007 0.000 0.261 92 S C 1.233 175.852 174.600 0.031 0.000 1.271 92 S CA -0.552 57.669 58.200 0.033 0.000 0.985 92 S CB 0.887 64.117 63.200 0.050 0.000 0.968 92 S HN 0.562 nan 8.310 nan 0.000 0.568 93 E N 0.503 120.718 120.200 0.024 0.000 2.058 93 E HA -0.225 4.129 4.350 0.007 0.000 0.194 93 E C 1.232 177.843 176.600 0.018 0.000 0.997 93 E CA 1.714 58.122 56.400 0.013 0.000 0.801 93 E CB -0.256 29.450 29.700 0.009 0.000 0.746 93 E HN 0.689 nan 8.360 nan 0.000 0.450 94 D N 0.060 120.478 120.400 0.029 0.000 2.133 94 D HA -0.199 4.445 4.640 0.007 0.000 0.195 94 D C 1.802 178.152 176.300 0.083 0.000 0.997 94 D CA 1.360 55.374 54.000 0.023 0.000 0.840 94 D CB -0.310 40.502 40.800 0.021 0.000 0.947 94 D HN 0.249 nan 8.370 nan 0.000 0.452 95 A N 1.241 124.139 122.820 0.129 0.000 1.883 95 A HA -0.173 4.151 4.320 0.007 0.000 0.217 95 A C 2.222 179.847 177.584 0.070 0.000 1.186 95 A CA 1.074 53.192 52.037 0.135 0.000 0.624 95 A CB -0.517 18.532 19.000 0.082 0.000 0.822 95 A HN 0.121 nan 8.150 nan 0.000 0.444 96 I N 0.110 120.699 120.570 0.033 0.000 2.179 96 I HA -0.206 3.968 4.170 0.007 0.000 0.242 96 I C 2.460 178.574 176.117 -0.004 0.000 1.088 96 I CA 1.166 62.469 61.300 0.005 0.000 1.357 96 I CB -1.499 36.494 38.000 -0.012 0.000 1.051 96 I HN 0.290 nan 8.210 nan 0.000 0.409 97 L N 0.059 121.279 121.223 -0.005 0.000 2.131 97 L HA -0.184 4.160 4.340 0.007 0.000 0.210 97 L C 2.449 179.315 176.870 -0.007 0.000 1.092 97 L CA 1.280 56.108 54.840 -0.020 0.000 0.759 97 L CB -0.983 41.059 42.059 -0.028 0.000 0.903 97 L HN 0.240 nan 8.230 nan 0.000 0.435 98 T N -1.267 113.300 114.554 0.021 0.000 2.857 98 T HA -0.140 4.213 4.350 0.007 0.000 0.266 98 T C 2.062 176.791 174.700 0.049 0.000 1.048 98 T CA 1.178 63.307 62.100 0.049 0.000 1.139 98 T CB -0.289 68.663 68.868 0.140 0.000 0.874 98 T HN 0.389 nan 8.240 nan 0.000 0.455 99 C N 1.474 120.796 119.300 0.036 0.000 2.429 99 C HA -0.009 4.455 4.460 0.007 0.000 0.277 99 C C 2.913 177.908 174.990 0.008 0.000 1.262 99 C CA 0.275 59.305 59.018 0.020 0.000 1.733 99 C CB -0.897 26.843 27.740 0.000 0.000 2.010 99 C HN 0.467 nan 8.230 nan 0.000 0.483 100 R N 0.668 121.163 120.500 -0.008 0.000 2.073 100 R HA -0.041 4.303 4.340 0.007 0.000 0.234 100 R C 2.108 178.410 176.300 0.003 0.000 1.134 100 R CA 1.213 57.301 56.100 -0.019 0.000 0.952 100 R CB -0.900 29.372 30.300 -0.046 0.000 0.850 100 R HN 0.558 nan 8.270 nan 0.000 0.433 101 L N 0.320 121.549 121.223 0.009 0.000 2.131 101 L HA -0.161 4.183 4.340 0.007 0.000 0.210 101 L C 2.381 179.278 176.870 0.045 0.000 1.092 101 L CA 1.150 56.002 54.840 0.020 0.000 0.759 101 L CB -0.335 41.731 42.059 0.013 0.000 0.903 101 L HN 0.145 nan 8.230 nan 0.000 0.435 102 I N -0.629 119.973 120.570 0.053 0.000 2.339 102 I HA -0.224 3.950 4.170 0.007 0.000 0.245 102 I C 2.100 178.269 176.117 0.086 0.000 1.096 102 I CA 1.191 62.536 61.300 0.075 0.000 1.408 102 I CB -0.229 37.814 38.000 0.072 0.000 1.092 102 I HN 0.205 nan 8.210 nan 0.000 0.423 103 D N 0.982 121.420 120.400 0.063 0.000 2.097 103 D HA -0.187 4.457 4.640 0.007 0.000 0.195 103 D C 2.329 178.685 176.300 0.093 0.000 0.989 103 D CA 1.404 55.446 54.000 0.070 0.000 0.827 103 D CB 0.133 40.946 40.800 0.021 0.000 0.966 103 D HN 0.062 nan 8.370 nan 0.000 0.456 104 R N -0.055 120.484 120.500 0.065 0.000 2.113 104 R HA -0.139 4.205 4.340 0.007 0.000 0.244 104 R C -0.629 175.730 176.300 0.099 0.000 1.142 104 R CA 2.113 58.254 56.100 0.069 0.000 0.953 104 R CB -1.267 29.061 30.300 0.045 0.000 0.860 104 R HN 0.448 nan 8.270 nan 0.000 0.438 105 P HA -0.017 nan 4.420 nan 0.000 0.234 105 P C 0.957 178.364 177.300 0.178 0.000 1.175 105 P CA 0.828 63.998 63.100 0.117 0.000 0.801 105 P CB 0.250 32.007 31.700 0.095 0.000 0.891 106 L N -0.026 121.337 121.223 0.233 0.000 2.162 106 L HA 0.123 4.467 4.340 0.007 0.000 0.205 106 L C 3.014 180.195 176.870 0.519 0.000 1.086 106 L CA 1.258 56.323 54.840 0.374 0.000 0.778 106 L CB -1.022 41.229 42.059 0.319 0.000 0.928 106 L HN -0.197 nan 8.230 nan 0.000 0.446 107 R N 0.535 121.283 120.500 0.413 0.000 2.103 107 R HA -0.159 4.185 4.340 0.007 0.000 0.234 107 R C -0.677 175.924 176.300 0.501 0.000 1.132 107 R CA 2.207 58.597 56.100 0.484 0.000 0.925 107 R CB -1.397 29.067 30.300 0.273 0.000 0.842 107 R HN 0.236 nan 8.270 nan 0.000 0.430 108 P HA -0.007 nan 4.420 nan 0.000 0.236 108 P C 0.142 177.536 177.300 0.157 0.000 1.172 108 P CA 1.117 64.342 63.100 0.207 0.000 0.759 108 P CB 0.254 32.035 31.700 0.135 0.000 0.843 109 S N -1.178 114.637 115.700 0.191 0.000 2.593 109 S HA 0.152 4.626 4.470 0.007 0.000 0.217 109 S C 0.463 175.005 174.600 -0.096 0.000 0.966 109 S CA -0.008 58.173 58.200 -0.032 0.000 0.914 109 S CB -0.454 62.647 63.200 -0.165 0.000 0.776 109 S HN 0.075 nan 8.310 nan 0.000 0.523 110 F N 2.260 122.254 119.950 0.074 0.000 2.399 110 F HA 0.385 4.917 4.527 0.008 0.000 0.328 110 F C 0.521 176.213 175.800 -0.180 0.000 1.084 110 F CA -1.263 56.690 58.000 -0.080 0.000 1.053 110 F CB 0.611 39.386 39.000 -0.374 0.000 1.209 110 F HN -0.196 nan 8.300 nan 0.000 0.502 111 K N 2.533 122.933 120.400 0.000 0.000 2.485 111 K HA 0.019 4.343 4.320 0.007 0.000 0.277 111 K C -0.242 176.307 176.600 -0.086 0.000 0.990 111 K CA -0.146 56.114 56.287 -0.044 0.000 0.994 111 K CB 0.444 32.923 32.500 -0.035 0.000 0.906 111 K HN 0.547 nan 8.250 nan 0.000 0.488 112 K N 1.583 121.955 120.400 -0.046 0.000 2.295 112 K HA 0.102 4.425 4.320 0.007 0.000 0.270 112 K C 0.730 177.311 176.600 -0.031 0.000 1.011 112 K CA 0.683 56.951 56.287 -0.032 0.000 0.953 112 K CB 0.801 33.299 32.500 -0.004 0.000 0.956 112 K HN 0.943 nan 8.250 nan 0.000 0.477 113 G N 1.172 109.974 108.800 0.004 0.000 2.175 113 G HA2 -0.236 3.728 3.960 0.007 0.000 0.244 113 G HA3 -0.236 3.728 3.960 0.007 0.000 0.244 113 G C -0.256 174.705 174.900 0.102 0.000 0.982 113 G CA -0.232 44.904 45.100 0.060 0.000 0.641 113 G HN 0.446 nan 8.290 nan 0.000 0.527 114 L N 1.034 122.239 121.223 -0.030 0.000 2.410 114 L HA 0.627 4.971 4.340 0.007 0.000 0.273 114 L C 1.259 178.213 176.870 0.140 0.000 1.144 114 L CA 0.119 54.923 54.840 -0.059 0.000 0.863 114 L CB 0.553 42.322 42.059 -0.484 0.000 1.140 114 L HN 0.122 nan 8.230 nan 0.000 0.463 115 R N 2.454 123.103 120.500 0.248 0.000 2.509 115 R HA 0.253 4.597 4.340 0.007 0.000 0.297 115 R C -0.267 176.105 176.300 0.119 0.000 0.951 115 R CA -0.270 55.925 56.100 0.159 0.000 1.103 115 R CB -0.217 30.074 30.300 -0.015 0.000 1.283 115 R HN 0.624 nan 8.270 nan 0.000 0.534 116 N N 1.785 120.594 118.700 0.181 0.000 2.530 116 N HA 0.023 4.767 4.740 0.007 0.000 0.273 116 N C -0.459 175.091 175.510 0.068 0.000 1.173 116 N CA 0.168 53.298 53.050 0.133 0.000 0.967 116 N CB 0.717 39.307 38.487 0.171 0.000 1.109 116 N HN -0.047 nan 8.380 nan 0.000 0.453 117 E N 1.685 121.882 120.200 -0.005 0.000 2.299 117 E HA 0.104 4.458 4.350 0.007 0.000 0.272 117 E C -0.303 176.241 176.600 -0.094 0.000 1.043 117 E CA 0.083 56.430 56.400 -0.089 0.000 0.895 117 E CB 0.602 30.260 29.700 -0.070 0.000 1.011 117 E HN 0.318 nan 8.360 nan 0.000 0.432 118 I N 3.295 123.741 120.570 -0.208 0.000 2.362 118 I HA 0.167 4.341 4.170 0.007 0.000 0.289 118 I C -0.002 176.008 176.117 -0.179 0.000 0.994 118 I CA -0.372 60.821 61.300 -0.178 0.000 1.158 118 I CB 1.294 39.136 38.000 -0.263 0.000 1.315 118 I HN 0.564 nan 8.210 nan 0.000 0.451 119 Q N 5.489 125.233 119.800 -0.093 0.000 2.337 119 Q HA 0.662 5.006 4.340 0.007 0.000 0.266 119 Q C -1.859 174.115 176.000 -0.044 0.000 1.023 119 Q CA -0.570 55.188 55.803 -0.075 0.000 0.829 119 Q CB 2.611 31.316 28.738 -0.055 0.000 1.306 119 Q HN 0.482 nan 8.270 nan 0.000 0.449 120 V N 4.106 123.997 119.914 -0.039 0.000 2.407 120 V HA 0.409 4.533 4.120 0.007 0.000 0.291 120 V C -0.757 175.326 176.094 -0.017 0.000 1.018 120 V CA -0.725 61.563 62.300 -0.020 0.000 0.842 120 V CB 1.746 33.564 31.823 -0.009 0.000 0.996 120 V HN 0.616 nan 8.190 nan 0.000 0.426 121 V N 4.189 124.094 119.914 -0.015 0.000 2.378 121 V HA 0.761 4.885 4.120 0.007 0.000 0.288 121 V C 0.388 176.471 176.094 -0.017 0.000 1.016 121 V CA -0.513 61.777 62.300 -0.017 0.000 0.840 121 V CB 1.589 33.400 31.823 -0.019 0.000 0.994 121 V HN 0.948 nan 8.190 nan 0.000 0.431 122 A N 3.643 126.451 122.820 -0.020 0.000 2.288 122 A HA 0.788 5.112 4.320 0.007 0.000 0.320 122 A C 0.140 177.684 177.584 -0.066 0.000 1.217 122 A CA -0.384 51.635 52.037 -0.028 0.000 0.840 122 A CB 0.737 19.735 19.000 -0.003 0.000 1.179 122 A HN 0.698 nan 8.150 nan 0.000 0.504 123 T N 4.015 118.521 114.554 -0.081 0.000 2.786 123 T HA 0.403 4.757 4.350 0.007 0.000 0.283 123 T C -0.044 174.562 174.700 -0.157 0.000 0.992 123 T CA -0.304 61.728 62.100 -0.114 0.000 0.954 123 T CB 0.637 69.465 68.868 -0.067 0.000 0.934 123 T HN 0.428 nan 8.240 nan 0.000 0.440 124 I N 4.727 125.142 120.570 -0.258 0.000 2.294 124 I HA 0.195 4.369 4.170 0.007 0.000 0.295 124 I C 1.095 177.095 176.117 -0.196 0.000 1.098 124 I CA 0.062 61.181 61.300 -0.300 0.000 1.277 124 I CB 0.049 37.705 38.000 -0.574 0.000 1.434 124 I HN 0.752 nan 8.210 nan 0.000 0.498 125 M N 3.870 123.432 119.600 -0.064 0.000 2.501 125 M HA 0.291 4.775 4.480 0.007 0.000 0.261 125 M C 0.615 177.025 176.300 0.183 0.000 1.129 125 M CA 0.458 55.827 55.300 0.115 0.000 1.126 125 M CB 0.474 33.176 32.600 0.171 0.000 1.359 125 M HN 0.635 nan 8.290 nan 0.000 0.471 126 A N 1.310 124.182 122.820 0.087 0.000 2.488 126 A HA 0.716 5.040 4.320 0.007 0.000 0.295 126 A C -1.833 175.799 177.584 0.081 0.000 1.045 126 A CA -0.614 51.488 52.037 0.108 0.000 0.703 126 A CB 1.598 20.674 19.000 0.128 0.000 1.271 126 A HN 0.205 nan 8.150 nan 0.000 0.400 127 L N 2.545 123.814 121.223 0.076 0.000 2.441 127 L HA 0.466 4.810 4.340 0.007 0.000 0.270 127 L C -0.591 176.302 176.870 0.039 0.000 0.973 127 L CA -0.337 54.557 54.840 0.089 0.000 0.842 127 L CB 1.696 43.824 42.059 0.115 0.000 1.239 127 L HN 0.778 nan 8.230 nan 0.000 0.406 128 N N 6.694 125.370 118.700 -0.039 0.000 2.475 128 N HA 0.175 4.919 4.740 0.007 0.000 0.267 128 N C -1.808 173.641 175.510 -0.101 0.000 1.169 128 N CA -1.161 51.769 53.050 -0.200 0.000 0.947 128 N CB 1.545 39.619 38.487 -0.688 0.000 1.061 128 N HN 0.502 nan 8.380 nan 0.000 0.466 129 P HA -0.100 nan 4.420 nan 0.000 0.226 129 P C 0.217 177.596 177.300 0.131 0.000 1.146 129 P CA 0.988 64.115 63.100 0.045 0.000 0.773 129 P CB 0.410 32.121 31.700 0.018 0.000 0.772 130 D N -1.652 118.789 120.400 0.069 0.000 2.360 130 D HA 0.006 4.650 4.640 0.007 0.000 0.210 130 D C 0.359 176.818 176.300 0.265 0.000 1.047 130 D CA 0.050 54.166 54.000 0.193 0.000 0.854 130 D CB -0.122 40.738 40.800 0.100 0.000 0.936 130 D HN 0.287 nan 8.370 nan 0.000 0.514 131 H N -0.312 118.817 119.070 0.098 0.000 2.525 131 H HA 0.381 4.941 4.556 0.006 0.000 0.340 131 H C -0.311 174.997 175.328 -0.033 0.000 1.168 131 H CA -1.086 54.961 56.048 -0.002 0.000 1.247 131 H CB 1.628 31.420 29.762 0.051 0.000 1.568 131 H HN -0.130 nan 8.280 nan 0.000 0.536 132 L N 3.522 124.748 121.223 0.005 0.000 2.280 132 L HA 0.044 4.388 4.340 0.007 0.000 0.287 132 L C 0.379 177.273 176.870 0.041 0.000 1.023 132 L CA -0.499 54.306 54.840 -0.059 0.000 0.819 132 L CB 0.781 42.726 42.059 -0.190 0.000 1.212 132 L HN 0.828 nan 8.230 nan 0.000 0.420 133 Y N 1.732 122.082 120.300 0.082 0.000 2.457 133 Y HA -0.085 4.469 4.550 0.006 0.000 0.292 133 Y C 1.714 177.648 175.900 0.056 0.000 1.125 133 Y CA 0.369 58.510 58.100 0.069 0.000 1.254 133 Y CB -0.554 37.940 38.460 0.057 0.000 1.012 133 Y HN 0.659 nan 8.280 nan 0.000 0.555 134 D N 1.751 121.990 120.400 -0.268 0.000 2.126 134 D HA -0.266 4.377 4.640 0.007 0.000 0.190 134 D C 1.959 178.305 176.300 0.076 0.000 1.001 134 D CA 2.643 56.589 54.000 -0.090 0.000 0.841 134 D CB -1.310 39.360 40.800 -0.218 0.000 0.949 134 D HN 0.420 nan 8.370 nan 0.000 0.446 135 V N -1.274 118.676 119.914 0.061 0.000 2.667 135 V HA -0.089 4.035 4.120 0.007 0.000 0.252 135 V C 2.489 178.732 176.094 0.250 0.000 1.065 135 V CA 1.096 63.466 62.300 0.117 0.000 1.083 135 V CB -0.782 31.046 31.823 0.007 0.000 0.692 135 V HN 0.176 nan 8.190 nan 0.000 0.468 136 V N 1.177 121.235 119.914 0.239 0.000 2.427 136 V HA -0.107 4.016 4.120 0.007 0.000 0.248 136 V C 3.079 179.257 176.094 0.139 0.000 1.051 136 V CA 2.035 64.432 62.300 0.162 0.000 1.048 136 V CB -1.134 30.744 31.823 0.092 0.000 0.666 136 V HN 0.627 nan 8.190 nan 0.000 0.456 137 A N -0.051 122.874 122.820 0.175 0.000 1.930 137 A HA -0.124 4.200 4.320 0.007 0.000 0.217 137 A C 2.178 179.845 177.584 0.139 0.000 1.175 137 A CA 1.553 53.679 52.037 0.148 0.000 0.627 137 A CB -0.482 18.639 19.000 0.201 0.000 0.815 137 A HN 0.499 nan 8.150 nan 0.000 0.443 138 I N 0.229 120.889 120.570 0.149 0.000 2.163 138 I HA -0.296 3.878 4.170 0.007 0.000 0.243 138 I C 2.166 178.388 176.117 0.174 0.000 1.085 138 I CA 1.372 62.756 61.300 0.140 0.000 1.347 138 I CB -0.547 37.527 38.000 0.124 0.000 1.044 138 I HN 0.379 nan 8.210 nan 0.000 0.408 139 N N 1.201 120.037 118.700 0.226 0.000 2.120 139 N HA -0.135 4.609 4.740 0.007 0.000 0.188 139 N C 1.954 177.673 175.510 0.349 0.000 1.024 139 N CA 1.632 54.879 53.050 0.328 0.000 0.852 139 N CB -0.297 38.461 38.487 0.451 0.000 1.003 139 N HN 0.349 nan 8.380 nan 0.000 0.424 140 A N 1.353 124.324 122.820 0.252 0.000 1.933 140 A HA -0.001 4.323 4.320 0.007 0.000 0.218 140 A C 2.433 180.099 177.584 0.137 0.000 1.175 140 A CA 1.864 54.019 52.037 0.197 0.000 0.628 140 A CB -0.717 18.329 19.000 0.077 0.000 0.814 140 A HN 0.334 nan 8.150 nan 0.000 0.444 141 A N -0.688 122.198 122.820 0.110 0.000 1.877 141 A HA -0.129 4.195 4.320 0.007 0.000 0.216 141 A C 2.517 180.129 177.584 0.046 0.000 1.186 141 A CA 2.295 54.371 52.037 0.065 0.000 0.620 141 A CB -1.083 17.959 19.000 0.069 0.000 0.822 141 A HN 0.626 nan 8.150 nan 0.000 0.443 142 S N -0.391 115.370 115.700 0.102 0.000 2.356 142 S HA -0.070 4.403 4.470 0.007 0.000 0.223 142 S C 2.217 176.871 174.600 0.091 0.000 1.032 142 S CA 1.764 60.040 58.200 0.127 0.000 1.005 142 S CB -0.596 62.720 63.200 0.194 0.000 0.867 142 S HN 0.883 nan 8.310 nan 0.000 0.449 143 A N 1.518 124.391 122.820 0.088 0.000 1.865 143 A HA -0.120 4.204 4.320 0.007 0.000 0.217 143 A C 2.526 180.130 177.584 0.033 0.000 1.191 143 A CA 2.727 54.785 52.037 0.034 0.000 0.623 143 A CB -1.527 17.524 19.000 0.084 0.000 0.826 143 A HN 0.902 nan 8.150 nan 0.000 0.444 144 S N -1.072 114.651 115.700 0.038 0.000 2.382 144 S HA -0.157 4.317 4.470 0.007 0.000 0.228 144 S C 1.818 176.405 174.600 -0.022 0.000 1.027 144 S CA 2.001 60.210 58.200 0.016 0.000 0.991 144 S CB -1.228 61.981 63.200 0.015 0.000 0.823 144 S HN 0.512 nan 8.310 nan 0.000 0.469 145 T N 1.680 116.178 114.554 -0.092 0.000 2.821 145 T HA -0.052 4.302 4.350 0.007 0.000 0.267 145 T C 1.908 176.514 174.700 -0.157 0.000 1.046 145 T CA 1.546 63.505 62.100 -0.236 0.000 1.139 145 T CB -0.450 68.037 68.868 -0.636 0.000 0.871 145 T HN 0.481 nan 8.240 nan 0.000 0.454 146 Q N 0.773 120.579 119.800 0.009 0.000 2.226 146 Q HA 0.078 4.422 4.340 0.007 0.000 0.204 146 Q C 1.780 177.834 176.000 0.090 0.000 0.975 146 Q CA 1.251 57.166 55.803 0.186 0.000 0.866 146 Q CB -0.517 28.321 28.738 0.167 0.000 0.915 146 Q HN 0.509 nan 8.270 nan 0.000 0.440 147 L N -0.776 120.473 121.223 0.044 0.000 2.509 147 L HA 0.233 4.577 4.340 0.007 0.000 0.222 147 L C 1.869 178.769 176.870 0.050 0.000 1.123 147 L CA 0.440 55.303 54.840 0.038 0.000 0.856 147 L CB -0.314 41.762 42.059 0.028 0.000 0.985 147 L HN 0.165 nan 8.230 nan 0.000 0.456 148 A N 0.280 123.130 122.820 0.051 0.000 2.209 148 A HA 0.171 4.495 4.320 0.007 0.000 0.212 148 A C 1.711 179.364 177.584 0.115 0.000 1.158 148 A CA 0.774 52.853 52.037 0.071 0.000 0.742 148 A CB -0.668 18.365 19.000 0.054 0.000 0.790 148 A HN 0.489 nan 8.150 nan 0.000 0.472 149 G N -0.951 107.920 108.800 0.120 0.000 2.272 149 G HA2 -0.198 3.766 3.960 0.007 0.000 0.280 149 G HA3 -0.198 3.766 3.960 0.007 0.000 0.280 149 G C -0.170 174.877 174.900 0.246 0.000 1.067 149 G CA 0.531 45.725 45.100 0.157 0.000 0.902 149 G HN 0.536 nan 8.290 nan 0.000 0.500 150 L N -0.426 120.912 121.223 0.192 0.000 2.319 150 L HA 0.601 4.945 4.340 0.007 0.000 0.267 150 L C -1.732 175.222 176.870 0.140 0.000 1.011 150 L CA -2.717 52.208 54.840 0.141 0.000 0.818 150 L CB 2.034 44.161 42.059 0.113 0.000 1.316 150 L HN -0.094 nan 8.230 nan 0.000 0.432 151 P HA 0.064 nan 4.420 nan 0.000 0.241 151 P C -1.063 176.275 177.300 0.063 0.000 1.760 151 P CA 0.297 63.443 63.100 0.077 0.000 1.081 151 P CB -0.493 31.239 31.700 0.053 0.000 1.975 152 F N 1.574 121.394 119.950 -0.217 0.000 2.518 152 F HA 0.380 4.911 4.527 0.006 0.000 0.323 152 F C -0.046 175.578 175.800 -0.293 0.000 1.129 152 F CA -0.910 56.797 58.000 -0.490 0.000 0.920 152 F CB 1.857 40.448 39.000 -0.681 0.000 1.160 152 F HN -0.166 nan 8.300 nan 0.000 0.440 153 S N 4.713 119.901 115.700 -0.853 0.000 3.965 153 S HA 0.440 4.914 4.470 0.007 0.000 0.195 153 S C 0.548 174.605 174.600 -0.905 0.000 1.449 153 S CA -0.231 57.567 58.200 -0.671 0.000 0.965 153 S CB -0.344 62.623 63.200 -0.388 0.000 1.459 153 S HN 0.930 nan 8.310 nan 0.000 0.476 154 G N 2.243 110.374 108.800 -1.115 0.000 2.702 154 G HA2 0.654 4.618 3.960 0.007 0.000 0.254 154 G HA3 0.654 4.618 3.960 0.007 0.000 0.254 154 G C -2.958 171.766 174.900 -0.293 0.000 1.380 154 G CA -1.654 43.010 45.100 -0.727 0.000 1.042 154 G HN 0.271 nan 8.290 nan 0.000 0.557 155 P HA 0.395 nan 4.420 nan 0.000 0.276 155 P C -0.667 176.603 177.300 -0.051 0.000 1.261 155 P CA -0.450 62.619 63.100 -0.051 0.000 0.800 155 P CB 1.023 32.692 31.700 -0.051 0.000 1.066 156 I N 0.443 121.044 120.570 0.052 0.000 2.404 156 I HA 0.424 4.598 4.170 0.007 0.000 0.293 156 I C 0.743 176.916 176.117 0.093 0.000 0.992 156 I CA -0.338 60.999 61.300 0.063 0.000 1.149 156 I CB 0.955 39.033 38.000 0.129 0.000 1.315 156 I HN 0.385 nan 8.210 nan 0.000 0.446 157 G N 3.752 112.603 108.800 0.084 0.000 2.372 157 G HA2 0.650 4.614 3.960 0.007 0.000 0.323 157 G HA3 0.650 4.614 3.960 0.007 0.000 0.323 157 G C -0.349 174.625 174.900 0.123 0.000 1.152 157 G CA -0.534 44.644 45.100 0.131 0.000 0.906 157 G HN 0.784 nan 8.290 nan 0.000 0.460 158 G N -0.627 108.267 108.800 0.156 0.000 2.513 158 G HA2 0.643 4.607 3.960 0.007 0.000 0.317 158 G HA3 0.643 4.607 3.960 0.007 0.000 0.317 158 G C -1.431 173.482 174.900 0.021 0.000 1.277 158 G CA -0.572 44.580 45.100 0.087 0.000 0.955 158 G HN 1.082 nan 8.290 nan 0.000 0.484 159 V N 2.142 121.972 119.914 -0.141 0.000 3.049 159 V HA 0.813 4.936 4.120 0.007 0.000 0.309 159 V C -0.900 174.930 176.094 -0.441 0.000 1.148 159 V CA -1.235 60.772 62.300 -0.489 0.000 0.990 159 V CB 2.278 33.893 31.823 -0.347 0.000 1.039 159 V HN 0.901 nan 8.190 nan 0.000 0.430 160 R N 4.006 124.115 120.500 -0.653 0.000 2.387 160 R HA 0.802 5.146 4.340 0.007 0.000 0.314 160 R C -1.492 174.616 176.300 -0.319 0.000 0.958 160 R CA -0.382 55.499 56.100 -0.365 0.000 0.846 160 R CB 1.810 31.926 30.300 -0.307 0.000 1.147 160 R HN 0.795 nan 8.270 nan 0.000 0.447 161 V N 1.136 120.990 119.914 -0.100 0.000 2.540 161 V HA 0.909 5.033 4.120 0.007 0.000 0.302 161 V C -0.572 175.668 176.094 0.243 0.000 1.035 161 V CA -0.855 61.486 62.300 0.067 0.000 0.873 161 V CB 1.419 33.374 31.823 0.220 0.000 0.992 161 V HN 0.882 nan 8.190 nan 0.000 0.428 162 A N 4.748 127.629 122.820 0.101 0.000 2.355 162 A HA 0.821 5.145 4.320 0.007 0.000 0.317 162 A C -0.830 176.572 177.584 -0.303 0.000 1.094 162 A CA -0.761 51.260 52.037 -0.026 0.000 0.764 162 A CB 1.631 20.557 19.000 -0.124 0.000 1.230 162 A HN 1.347 nan 8.150 nan 0.000 0.448 163 L N 3.677 124.497 121.223 -0.673 0.000 2.385 163 L HA 0.455 4.799 4.340 0.007 0.000 0.285 163 L C -0.834 175.722 176.870 -0.523 0.000 1.125 163 L CA 0.242 54.450 54.840 -1.053 0.000 0.890 163 L CB -0.765 40.453 42.059 -1.401 0.000 1.251 163 L HN 0.493 nan 8.230 nan 0.000 0.445 164 I N 5.636 125.946 120.570 -0.433 0.000 2.355 164 I HA 0.375 4.549 4.170 0.007 0.000 0.288 164 I C 0.535 176.558 176.117 -0.157 0.000 0.999 164 I CA -0.854 60.270 61.300 -0.294 0.000 1.163 164 I CB 0.680 38.435 38.000 -0.408 0.000 1.316 164 I HN 0.542 nan 8.210 nan 0.000 0.454 165 R N 4.479 124.930 120.500 -0.082 0.000 3.416 165 R HA -0.231 4.113 4.340 0.007 0.000 0.263 165 R C 0.983 177.272 176.300 -0.019 0.000 1.053 165 R CA 0.589 56.687 56.100 -0.003 0.000 0.705 165 R CB -1.804 28.570 30.300 0.123 0.000 1.124 165 R HN 1.193 nan 8.270 nan 0.000 0.444 166 G N -0.666 108.065 108.800 -0.114 0.000 2.176 166 G HA2 -0.372 3.592 3.960 0.007 0.000 0.253 166 G HA3 -0.372 3.592 3.960 0.007 0.000 0.253 166 G C -0.065 174.773 174.900 -0.104 0.000 0.979 166 G CA 0.553 45.591 45.100 -0.104 0.000 0.641 166 G HN 0.477 nan 8.290 nan 0.000 0.530 167 Q N -0.794 118.933 119.800 -0.121 0.000 2.337 167 Q HA 0.526 4.869 4.340 0.007 0.000 0.266 167 Q C -0.991 174.877 176.000 -0.219 0.000 1.023 167 Q CA -1.203 54.573 55.803 -0.046 0.000 0.829 167 Q CB 0.980 29.807 28.738 0.149 0.000 1.306 167 Q HN 0.280 nan 8.270 nan 0.000 0.449 168 W N 3.634 124.954 121.300 0.032 0.000 2.422 168 W HA 0.329 4.993 4.660 0.007 0.000 0.349 168 W C -0.524 175.987 176.519 -0.014 0.000 1.062 168 W CA -0.384 56.968 57.345 0.011 0.000 1.497 168 W CB 0.711 30.210 29.460 0.065 0.000 1.407 168 W HN 0.260 nan 8.180 nan 0.000 0.393 169 V N 4.287 124.181 119.914 -0.034 0.000 2.498 169 V HA 0.495 4.619 4.120 0.007 0.000 0.279 169 V C 0.645 176.621 176.094 -0.196 0.000 1.048 169 V CA -0.949 61.261 62.300 -0.150 0.000 0.967 169 V CB 0.566 32.150 31.823 -0.398 0.000 0.988 169 V HN 0.528 nan 8.190 nan 0.000 0.473 170 A N 4.130 126.726 122.820 -0.374 0.000 2.331 170 A HA 0.720 5.044 4.320 0.007 0.000 0.283 170 A C -0.032 177.406 177.584 -0.243 0.000 1.142 170 A CA -0.404 51.261 52.037 -0.620 0.000 0.812 170 A CB -0.426 17.651 19.000 -1.538 0.000 1.074 170 A HN 0.958 nan 8.150 nan 0.000 0.497 171 F N 0.145 119.920 119.950 -0.291 0.000 2.969 171 F HA -0.147 4.384 4.527 0.006 0.000 0.273 171 F C -1.685 173.985 175.800 -0.217 0.000 0.986 171 F CA 0.752 58.615 58.000 -0.228 0.000 0.926 171 F CB -1.782 37.085 39.000 -0.222 0.000 0.887 171 F HN 0.488 nan 8.300 nan 0.000 0.816 172 P HA 0.160 nan 4.420 nan 0.000 0.270 172 P C 0.363 177.595 177.300 -0.114 0.000 1.223 172 P CA 0.067 63.089 63.100 -0.130 0.000 0.785 172 P CB 0.989 32.582 31.700 -0.178 0.000 0.923 173 T N -2.345 112.162 114.554 -0.079 0.000 2.912 173 T HA 0.235 4.589 4.350 0.007 0.000 0.280 173 T C 1.429 176.079 174.700 -0.083 0.000 0.989 173 T CA -0.454 61.616 62.100 -0.051 0.000 0.995 173 T CB 0.309 69.223 68.868 0.076 0.000 1.077 173 T HN 0.332 nan 8.240 nan 0.000 0.531 174 H N 0.543 119.644 119.070 0.053 0.000 2.422 174 H HA -0.053 4.506 4.556 0.006 0.000 0.298 174 H C 2.273 177.612 175.328 0.018 0.000 1.098 174 H CA 1.981 58.043 56.048 0.024 0.000 1.315 174 H CB -0.612 29.167 29.762 0.028 0.000 1.382 174 H HN 0.703 nan 8.280 nan 0.000 0.523 175 T N 0.834 115.472 114.554 0.140 0.000 2.708 175 T HA -0.119 4.235 4.350 0.007 0.000 0.266 175 T C 1.883 176.621 174.700 0.063 0.000 1.037 175 T CA 1.347 63.504 62.100 0.095 0.000 1.146 175 T CB -0.076 68.848 68.868 0.093 0.000 0.865 175 T HN 0.503 nan 8.240 nan 0.000 0.435 176 E N 0.724 120.947 120.200 0.038 0.000 2.204 176 E HA 0.033 4.386 4.350 0.007 0.000 0.194 176 E C 2.049 178.614 176.600 -0.058 0.000 0.989 176 E CA 0.535 56.928 56.400 -0.012 0.000 0.824 176 E CB -0.231 29.418 29.700 -0.085 0.000 0.756 176 E HN 0.405 nan 8.360 nan 0.000 0.477 177 L N 1.232 122.430 121.223 -0.042 0.000 2.362 177 L HA -0.122 4.222 4.340 0.007 0.000 0.219 177 L C 2.038 178.894 176.870 -0.023 0.000 1.134 177 L CA 0.458 55.269 54.840 -0.049 0.000 0.807 177 L CB -0.150 41.893 42.059 -0.026 0.000 0.927 177 L HN 0.066 nan 8.230 nan 0.000 0.447 178 E N 0.081 120.284 120.200 0.004 0.000 2.265 178 E HA -0.186 4.168 4.350 0.007 0.000 0.196 178 E C 0.506 177.100 176.600 -0.010 0.000 0.996 178 E CA 0.987 57.391 56.400 0.007 0.000 0.832 178 E CB -0.028 29.687 29.700 0.024 0.000 0.756 178 E HN 0.455 nan 8.360 nan 0.000 0.491 179 D N -0.596 119.790 120.400 -0.023 0.000 2.501 179 D HA 0.184 4.827 4.640 0.007 0.000 0.226 179 D C -0.498 175.754 176.300 -0.080 0.000 1.198 179 D CA -0.051 53.928 54.000 -0.035 0.000 0.830 179 D CB 0.450 41.248 40.800 -0.003 0.000 1.014 179 D HN -0.011 nan 8.370 nan 0.000 0.496 180 A N 0.485 123.250 122.820 -0.092 0.000 2.328 180 A HA 0.407 4.731 4.320 0.007 0.000 0.284 180 A C 1.354 178.876 177.584 -0.104 0.000 1.160 180 A CA -0.516 51.446 52.037 -0.126 0.000 0.818 180 A CB 0.733 19.660 19.000 -0.121 0.000 1.087 180 A HN 0.114 nan 8.150 nan 0.000 0.504 181 V N -0.021 119.819 119.914 -0.123 0.000 3.590 181 V HA 0.479 4.603 4.120 0.007 0.000 0.265 181 V C 0.119 176.248 176.094 0.057 0.000 1.239 181 V CA 0.390 62.635 62.300 -0.092 0.000 1.117 181 V CB -0.863 30.869 31.823 -0.151 0.000 0.818 181 V HN 0.670 nan 8.190 nan 0.000 0.451 182 F N 0.743 120.596 119.950 -0.163 0.000 2.635 182 F HA 0.650 5.181 4.527 0.006 0.000 0.314 182 F C -1.689 174.096 175.800 -0.026 0.000 1.119 182 F CA -1.116 56.854 58.000 -0.050 0.000 1.000 182 F CB 1.938 40.958 39.000 0.033 0.000 1.278 182 F HN -0.009 nan 8.300 nan 0.000 0.446 183 D N 6.231 126.442 120.400 -0.314 0.000 2.481 183 D HA 0.389 5.033 4.640 0.007 0.000 0.246 183 D C -1.403 174.752 176.300 -0.241 0.000 1.109 183 D CA -0.174 53.714 54.000 -0.187 0.000 0.845 183 D CB 1.510 42.200 40.800 -0.183 0.000 1.160 183 D HN 0.709 nan 8.370 nan 0.000 0.534 184 M N 4.507 124.096 119.600 -0.018 0.000 2.204 184 M HA 0.387 4.871 4.480 0.007 0.000 0.293 184 M C -1.910 174.377 176.300 -0.022 0.000 0.994 184 M CA -0.672 54.632 55.300 0.006 0.000 0.925 184 M CB 1.751 34.492 32.600 0.235 0.000 1.577 184 M HN 0.014 nan 8.290 nan 0.000 0.439 185 V N 5.464 125.345 119.914 -0.056 0.000 2.509 185 V HA 0.670 4.794 4.120 0.007 0.000 0.284 185 V C -0.537 175.530 176.094 -0.046 0.000 1.047 185 V CA -0.442 61.813 62.300 -0.075 0.000 0.952 185 V CB 1.655 33.434 31.823 -0.073 0.000 0.988 185 V HN 0.732 nan 8.190 nan 0.000 0.469 186 V N 3.206 123.086 119.914 -0.057 0.000 2.841 186 V HA 0.916 5.040 4.120 0.007 0.000 0.310 186 V C -0.155 175.929 176.094 -0.017 0.000 1.090 186 V CA -0.568 61.713 62.300 -0.032 0.000 0.930 186 V CB 1.871 33.671 31.823 -0.039 0.000 1.014 186 V HN 1.029 nan 8.190 nan 0.000 0.425 187 A N 2.089 124.912 122.820 0.004 0.000 2.475 187 A HA 1.068 5.392 4.320 0.007 0.000 0.301 187 A C -0.129 177.468 177.584 0.022 0.000 1.059 187 A CA 0.007 52.059 52.037 0.025 0.000 0.710 187 A CB 2.160 21.185 19.000 0.042 0.000 1.288 187 A HN 1.653 nan 8.150 nan 0.000 0.408 188 G N 0.252 109.067 108.800 0.026 0.000 2.548 188 G HA2 0.677 4.641 3.960 0.007 0.000 0.301 188 G HA3 0.677 4.641 3.960 0.007 0.000 0.301 188 G C -1.127 173.773 174.900 0.001 0.000 1.349 188 G CA -0.455 44.650 45.100 0.009 0.000 0.792 188 G HN 1.212 nan 8.290 nan 0.000 0.481 189 R N -1.631 118.856 120.500 -0.022 0.000 2.912 189 R HA 0.818 5.162 4.340 0.007 0.000 0.262 189 R C -1.507 174.769 176.300 -0.040 0.000 1.057 189 R CA -0.856 55.218 56.100 -0.044 0.000 0.981 189 R CB 1.895 32.145 30.300 -0.083 0.000 1.201 189 R HN 0.345 nan 8.270 nan 0.000 0.484 190 V N 2.935 122.820 119.914 -0.047 0.000 2.370 190 V HA 0.275 4.399 4.120 0.007 0.000 0.279 190 V C 0.436 176.499 176.094 -0.050 0.000 1.029 190 V CA -0.753 61.522 62.300 -0.041 0.000 0.870 190 V CB 1.109 32.911 31.823 -0.035 0.000 0.984 190 V HN 0.528 nan 8.190 nan 0.000 0.451 191 L N 2.905 124.103 121.223 -0.043 0.000 2.476 191 L HA 0.248 4.592 4.340 0.007 0.000 0.255 191 L C 1.820 178.665 176.870 -0.041 0.000 1.218 191 L CA 0.004 54.818 54.840 -0.044 0.000 0.819 191 L CB 0.331 42.369 42.059 -0.035 0.000 1.119 191 L HN 0.702 nan 8.230 nan 0.000 0.485 192 E N 0.601 120.776 120.200 -0.041 0.000 2.267 192 E HA -0.243 4.110 4.350 0.007 0.000 0.197 192 E C 0.828 177.409 176.600 -0.031 0.000 0.998 192 E CA 1.577 57.955 56.400 -0.037 0.000 0.830 192 E CB 0.162 29.841 29.700 -0.036 0.000 0.751 192 E HN 0.802 nan 8.360 nan 0.000 0.491 193 D N -2.069 118.314 120.400 -0.029 0.000 2.328 193 D HA 0.095 4.739 4.640 0.007 0.000 0.221 193 D C 1.196 177.480 176.300 -0.025 0.000 1.072 193 D CA 0.692 54.677 54.000 -0.025 0.000 0.850 193 D CB 0.516 41.302 40.800 -0.023 0.000 0.922 193 D HN 0.232 nan 8.370 nan 0.000 0.516 194 G N -0.286 108.497 108.800 -0.028 0.000 2.241 194 G HA2 -0.270 3.693 3.960 0.007 0.000 0.244 194 G HA3 -0.270 3.693 3.960 0.007 0.000 0.244 194 G C -0.104 174.778 174.900 -0.029 0.000 0.998 194 G CA 0.028 45.112 45.100 -0.027 0.000 0.621 194 G HN 0.432 nan 8.290 nan 0.000 0.519 195 D N 0.244 120.626 120.400 -0.030 0.000 2.362 195 D HA 0.484 5.128 4.640 0.007 0.000 0.242 195 D C 0.576 176.857 176.300 -0.032 0.000 1.132 195 D CA -0.019 53.962 54.000 -0.032 0.000 0.907 195 D CB 1.604 42.386 40.800 -0.031 0.000 1.195 195 D HN 0.192 nan 8.370 nan 0.000 0.429 196 V N 1.337 121.230 119.914 -0.034 0.000 2.439 196 V HA 0.545 4.669 4.120 0.007 0.000 0.282 196 V C 0.153 176.228 176.094 -0.031 0.000 1.039 196 V CA -0.691 61.591 62.300 -0.031 0.000 0.913 196 V CB 1.272 33.078 31.823 -0.028 0.000 0.983 196 V HN 0.658 nan 8.190 nan 0.000 0.460 197 A N 6.554 129.357 122.820 -0.028 0.000 2.258 197 A HA 0.706 5.030 4.320 0.007 0.000 0.316 197 A C -0.352 177.219 177.584 -0.021 0.000 1.279 197 A CA -0.495 51.527 52.037 -0.025 0.000 0.876 197 A CB 0.199 19.185 19.000 -0.023 0.000 1.170 197 A HN 0.786 nan 8.150 nan 0.000 0.520 198 I N 3.035 123.591 120.570 -0.024 0.000 2.529 198 I HA 0.116 4.290 4.170 0.007 0.000 0.284 198 I C 0.941 177.054 176.117 -0.007 0.000 1.082 198 I CA 0.219 61.506 61.300 -0.021 0.000 1.406 198 I CB 1.275 39.252 38.000 -0.038 0.000 1.405 198 I HN 0.811 nan 8.210 nan 0.000 0.548 199 M N 5.402 125.004 119.600 0.004 0.000 2.564 199 M HA 0.271 4.755 4.480 0.007 0.000 0.254 199 M C 0.080 176.398 176.300 0.030 0.000 1.299 199 M CA 0.549 55.861 55.300 0.019 0.000 1.143 199 M CB 0.879 33.493 32.600 0.023 0.000 1.427 199 M HN 0.470 nan 8.290 nan 0.000 0.538 200 M N 1.422 121.038 119.600 0.025 0.000 2.378 200 M HA 0.547 5.031 4.480 0.007 0.000 0.289 200 M C -2.237 174.074 176.300 0.019 0.000 1.136 200 M CA -0.567 54.752 55.300 0.031 0.000 0.917 200 M CB 2.368 34.991 32.600 0.038 0.000 1.669 200 M HN -0.130 nan 8.290 nan 0.000 0.461 201 V N 3.325 123.255 119.914 0.026 0.000 2.733 201 V HA 0.546 4.669 4.120 0.007 0.000 0.306 201 V C -1.296 174.815 176.094 0.030 0.000 1.084 201 V CA -0.558 61.755 62.300 0.022 0.000 0.905 201 V CB 2.139 33.978 31.823 0.027 0.000 1.010 201 V HN 0.885 nan 8.190 nan 0.000 0.424 202 E N 2.968 123.174 120.200 0.010 0.000 2.409 202 E HA 0.762 5.115 4.350 0.007 0.000 0.259 202 E C -0.758 175.821 176.600 -0.036 0.000 0.932 202 E CA 0.009 56.407 56.400 -0.004 0.000 0.809 202 E CB 1.447 31.137 29.700 -0.017 0.000 1.341 202 E HN 1.025 nan 8.360 nan 0.000 0.405 203 A N 3.818 126.613 122.820 -0.042 0.000 2.437 203 A HA 0.971 5.295 4.320 0.007 0.000 0.292 203 A C -1.090 176.321 177.584 -0.290 0.000 1.173 203 A CA -0.531 51.400 52.037 -0.177 0.000 0.785 203 A CB 1.261 20.224 19.000 -0.062 0.000 1.351 203 A HN 0.642 nan 8.150 nan 0.000 0.431 204 E N -0.682 119.123 120.200 -0.657 0.000 2.388 204 E HA 0.600 4.954 4.350 0.007 0.000 0.281 204 E C -0.552 175.644 176.600 -0.674 0.000 1.046 204 E CA -0.681 55.436 56.400 -0.471 0.000 0.825 204 E CB 1.193 30.762 29.700 -0.219 0.000 1.243 204 E HN 1.157 nan 8.360 nan 0.000 0.438 205 A N 0.988 123.701 122.820 -0.179 0.000 2.249 205 A HA 0.747 5.070 4.320 0.007 0.000 0.281 205 A C 0.350 177.921 177.584 -0.022 0.000 1.127 205 A CA 0.350 52.424 52.037 0.062 0.000 0.833 205 A CB 0.816 20.032 19.000 0.359 0.000 1.140 205 A HN 0.786 nan 8.150 nan 0.000 0.502 206 T N -3.019 111.537 114.554 0.003 0.000 2.807 206 T HA 0.462 4.816 4.350 0.007 0.000 0.277 206 T C 0.575 175.279 174.700 0.007 0.000 1.006 206 T CA 0.199 62.290 62.100 -0.016 0.000 1.006 206 T CB 1.067 69.913 68.868 -0.038 0.000 1.274 206 T HN 0.740 nan 8.240 nan 0.000 0.569 207 E N -0.081 120.121 120.200 0.002 0.000 2.482 207 E HA 0.035 4.389 4.350 0.007 0.000 0.196 207 E C 1.188 177.789 176.600 0.001 0.000 1.047 207 E CA 0.144 56.549 56.400 0.009 0.000 0.869 207 E CB 0.032 29.739 29.700 0.013 0.000 0.836 207 E HN 0.304 nan 8.360 nan 0.000 0.520 208 K N 0.560 120.951 120.400 -0.014 0.000 2.335 208 K HA 0.121 4.445 4.320 0.007 0.000 0.195 208 K C 1.865 178.432 176.600 -0.055 0.000 1.058 208 K CA 0.675 56.945 56.287 -0.027 0.000 0.988 208 K CB -0.144 32.338 32.500 -0.031 0.000 0.880 208 K HN 0.077 nan 8.250 nan 0.000 0.513 209 T N 2.906 117.414 114.554 -0.077 0.000 2.531 209 T HA -0.209 4.145 4.350 0.007 0.000 0.261 209 T C 1.971 176.555 174.700 -0.193 0.000 1.141 209 T CA 1.962 63.959 62.100 -0.173 0.000 1.176 209 T CB -0.433 68.278 68.868 -0.261 0.000 0.863 209 T HN 0.124 nan 8.240 nan 0.000 0.424 210 I N 0.839 121.335 120.570 -0.123 0.000 2.145 210 I HA -0.293 3.881 4.170 0.007 0.000 0.244 210 I C 2.875 178.965 176.117 -0.045 0.000 1.075 210 I CA 1.752 63.020 61.300 -0.053 0.000 1.332 210 I CB -0.464 37.576 38.000 0.066 0.000 1.033 210 I HN 0.278 nan 8.210 nan 0.000 0.410 211 Q N 1.175 120.956 119.800 -0.032 0.000 2.050 211 Q HA -0.152 4.192 4.340 0.007 0.000 0.202 211 Q C 2.112 178.088 176.000 -0.039 0.000 0.980 211 Q CA 1.743 57.531 55.803 -0.024 0.000 0.840 211 Q CB -0.416 28.314 28.738 -0.014 0.000 0.898 211 Q HN 0.499 nan 8.270 nan 0.000 0.424 212 L N -0.756 120.432 121.223 -0.058 0.000 2.131 212 L HA -0.155 4.189 4.340 0.007 0.000 0.210 212 L C 2.214 179.039 176.870 -0.074 0.000 1.092 212 L CA 0.796 55.597 54.840 -0.064 0.000 0.759 212 L CB -0.386 41.625 42.059 -0.079 0.000 0.903 212 L HN 0.120 nan 8.230 nan 0.000 0.435 213 V N -0.276 119.578 119.914 -0.100 0.000 2.453 213 V HA -0.246 3.878 4.120 0.007 0.000 0.247 213 V C 2.510 178.572 176.094 -0.053 0.000 1.048 213 V CA 1.525 63.767 62.300 -0.098 0.000 1.049 213 V CB -0.388 31.346 31.823 -0.148 0.000 0.672 213 V HN 0.408 nan 8.190 nan 0.000 0.457 214 K N 0.301 120.677 120.400 -0.040 0.000 2.002 214 K HA -0.206 4.117 4.320 0.007 0.000 0.209 214 K C 1.467 178.056 176.600 -0.018 0.000 1.048 214 K CA 1.871 58.147 56.287 -0.018 0.000 0.930 214 K CB -0.191 32.303 32.500 -0.010 0.000 0.714 214 K HN 0.377 nan 8.250 nan 0.000 0.438 215 D N -0.976 119.410 120.400 -0.023 0.000 2.358 215 D HA 0.026 4.670 4.640 0.007 0.000 0.241 215 D C 0.907 177.194 176.300 -0.021 0.000 1.094 215 D CA 1.072 55.061 54.000 -0.019 0.000 0.907 215 D CB 0.680 41.469 40.800 -0.018 0.000 0.893 215 D HN 0.618 nan 8.370 nan 0.000 0.528 216 G N -0.123 108.661 108.800 -0.027 0.000 2.352 216 G HA2 -0.151 3.813 3.960 0.007 0.000 0.204 216 G HA3 -0.151 3.813 3.960 0.007 0.000 0.204 216 G C 0.636 175.514 174.900 -0.036 0.000 1.004 216 G CA -0.025 45.060 45.100 -0.026 0.000 0.648 216 G HN 0.579 nan 8.290 nan 0.000 0.491 217 A N 0.489 123.278 122.820 -0.051 0.000 2.429 217 A HA 0.548 4.872 4.320 0.007 0.000 0.242 217 A C 0.473 178.010 177.584 -0.078 0.000 1.088 217 A CA 0.940 52.936 52.037 -0.070 0.000 0.784 217 A CB 0.259 19.205 19.000 -0.091 0.000 1.038 217 A HN 0.748 nan 8.150 nan 0.000 0.501 218 E N 0.819 120.969 120.200 -0.083 0.000 2.229 218 E HA 0.474 4.827 4.350 0.007 0.000 0.283 218 E C 0.233 176.766 176.600 -0.112 0.000 1.030 218 E CA -0.432 55.923 56.400 -0.075 0.000 0.836 218 E CB 0.808 30.476 29.700 -0.052 0.000 1.068 218 E HN 0.824 nan 8.360 nan 0.000 0.401 219 A N 5.914 128.669 122.820 -0.109 0.000 2.520 219 A HA 0.173 4.497 4.320 0.007 0.000 0.235 219 A C -1.995 175.520 177.584 -0.114 0.000 1.065 219 A CA -1.005 50.930 52.037 -0.170 0.000 0.764 219 A CB -0.051 18.906 19.000 -0.072 0.000 1.002 219 A HN 0.607 nan 8.150 nan 0.000 0.502 220 P HA 0.118 nan 4.420 nan 0.000 0.252 220 P C 0.130 177.400 177.300 -0.050 0.000 1.727 220 P CA 0.046 63.059 63.100 -0.146 0.000 1.134 220 P CB -0.429 31.155 31.700 -0.193 0.000 1.876 221 T N -0.677 113.864 114.554 -0.021 0.000 2.810 221 T HA 0.204 4.558 4.350 0.007 0.000 0.277 221 T C 1.345 176.018 174.700 -0.045 0.000 0.973 221 T CA -0.331 61.778 62.100 0.015 0.000 0.949 221 T CB 0.912 69.796 68.868 0.026 0.000 1.075 221 T HN -0.023 nan 8.240 nan 0.000 0.537 222 E N 0.353 120.541 120.200 -0.020 0.000 2.130 222 E HA -0.112 4.242 4.350 0.007 0.000 0.196 222 E C 2.058 178.624 176.600 -0.057 0.000 0.998 222 E CA 1.458 57.835 56.400 -0.038 0.000 0.806 222 E CB -0.346 29.347 29.700 -0.011 0.000 0.738 222 E HN 0.720 nan 8.360 nan 0.000 0.459 223 E N -0.238 119.940 120.200 -0.036 0.000 2.047 223 E HA -0.113 4.241 4.350 0.007 0.000 0.191 223 E C 2.152 178.734 176.600 -0.031 0.000 0.987 223 E CA 0.863 57.243 56.400 -0.033 0.000 0.799 223 E CB -0.479 29.213 29.700 -0.013 0.000 0.752 223 E HN 0.072 nan 8.360 nan 0.000 0.449 224 V N 0.400 120.305 119.914 -0.014 0.000 2.261 224 V HA -0.248 3.876 4.120 0.007 0.000 0.246 224 V C 2.286 178.402 176.094 0.036 0.000 1.047 224 V CA 1.514 63.845 62.300 0.052 0.000 1.015 224 V CB -0.544 31.296 31.823 0.029 0.000 0.642 224 V HN 0.122 nan 8.190 nan 0.000 0.446 225 V N 0.295 120.129 119.914 -0.133 0.000 2.287 225 V HA -0.309 3.814 4.120 0.007 0.000 0.248 225 V C 2.720 178.672 176.094 -0.237 0.000 1.053 225 V CA 2.221 64.369 62.300 -0.254 0.000 1.027 225 V CB -1.185 30.458 31.823 -0.300 0.000 0.646 225 V HN 0.581 nan 8.190 nan 0.000 0.447 226 A N -0.212 122.504 122.820 -0.174 0.000 1.940 226 A HA -0.142 4.182 4.320 0.007 0.000 0.219 226 A C 2.410 179.858 177.584 -0.226 0.000 1.176 226 A CA 2.144 54.072 52.037 -0.181 0.000 0.631 226 A CB -0.747 18.172 19.000 -0.134 0.000 0.814 226 A HN 0.604 nan 8.150 nan 0.000 0.446 227 A N -0.473 122.227 122.820 -0.199 0.000 1.933 227 A HA 0.127 4.451 4.320 0.007 0.000 0.218 227 A C 2.411 179.664 177.584 -0.552 0.000 1.175 227 A CA 1.886 53.794 52.037 -0.215 0.000 0.628 227 A CB -1.368 17.620 19.000 -0.020 0.000 0.814 227 A HN 0.729 nan 8.150 nan 0.000 0.444 228 G N -0.039 108.165 108.800 -0.993 0.000 2.440 228 G HA2 -0.195 3.769 3.960 0.007 0.000 0.218 228 G HA3 -0.195 3.769 3.960 0.007 0.000 0.218 228 G C 1.538 175.875 174.900 -0.939 0.000 1.154 228 G CA 1.041 44.896 45.100 -2.074 0.000 0.767 228 G HN 0.438 nan 8.290 nan 0.000 0.552 229 L N 0.438 121.334 121.223 -0.545 0.000 2.079 229 L HA -0.108 4.236 4.340 0.007 0.000 0.210 229 L C 2.487 179.210 176.870 -0.246 0.000 1.081 229 L CA 1.317 55.974 54.840 -0.305 0.000 0.752 229 L CB -0.361 41.568 42.059 -0.216 0.000 0.896 229 L HN 0.137 nan 8.230 nan 0.000 0.433 230 D N 0.026 120.272 120.400 -0.258 0.000 2.149 230 D HA -0.106 4.538 4.640 0.007 0.000 0.201 230 D C 2.230 178.429 176.300 -0.167 0.000 0.972 230 D CA 1.381 55.273 54.000 -0.180 0.000 0.835 230 D CB 0.068 40.776 40.800 -0.153 0.000 0.966 230 D HN 0.298 nan 8.370 nan 0.000 0.476 231 A N 0.946 123.623 122.820 -0.238 0.000 2.019 231 A HA -0.033 4.291 4.320 0.007 0.000 0.219 231 A C 2.228 179.841 177.584 0.049 0.000 1.164 231 A CA 1.806 53.780 52.037 -0.106 0.000 0.644 231 A CB -0.354 18.562 19.000 -0.140 0.000 0.805 231 A HN 0.230 nan 8.150 nan 0.000 0.449 232 A N -0.334 122.481 122.820 -0.009 0.000 2.067 232 A HA 0.000 4.324 4.320 0.007 0.000 0.217 232 A C 1.997 179.642 177.584 0.101 0.000 1.156 232 A CA 1.293 53.408 52.037 0.130 0.000 0.683 232 A CB -0.265 18.735 19.000 0.000 0.000 0.808 232 A HN 0.531 nan 8.150 nan 0.000 0.455 233 K N -0.147 120.244 120.400 -0.015 0.000 2.009 233 K HA -0.139 4.185 4.320 0.007 0.000 0.210 233 K C -0.755 175.811 176.600 -0.056 0.000 1.049 233 K CA 1.883 58.150 56.287 -0.035 0.000 0.929 233 K CB -1.155 31.305 32.500 -0.066 0.000 0.714 233 K HN 0.324 nan 8.250 nan 0.000 0.440 234 P HA -0.150 nan 4.420 nan 0.000 0.216 234 P C 0.981 178.164 177.300 -0.194 0.000 1.150 234 P CA 1.284 64.237 63.100 -0.245 0.000 0.837 234 P CB -0.016 31.427 31.700 -0.427 0.000 0.786 235 F N -1.055 118.924 119.950 0.049 0.000 2.146 235 F HA -0.090 4.441 4.527 0.006 0.000 0.298 235 F C 2.304 178.164 175.800 0.100 0.000 1.096 235 F CA 0.979 59.035 58.000 0.094 0.000 1.275 235 F CB -1.437 37.621 39.000 0.098 0.000 1.008 235 F HN -0.170 nan 8.300 nan 0.000 0.480 236 I N -0.114 120.593 120.570 0.227 0.000 2.361 236 I HA -0.304 3.870 4.170 0.007 0.000 0.251 236 I C 2.454 178.633 176.117 0.105 0.000 1.133 236 I CA 1.362 62.752 61.300 0.149 0.000 1.413 236 I CB -0.408 37.641 38.000 0.083 0.000 1.073 236 I HN 0.115 nan 8.210 nan 0.000 0.424 237 K N 0.747 121.186 120.400 0.065 0.000 2.062 237 K HA -0.115 4.209 4.320 0.007 0.000 0.205 237 K C 2.099 178.734 176.600 0.058 0.000 1.051 237 K CA 1.040 57.347 56.287 0.033 0.000 0.941 237 K CB 0.089 32.587 32.500 -0.004 0.000 0.719 237 K HN 0.050 nan 8.250 nan 0.000 0.440 238 V N 1.639 121.609 119.914 0.092 0.000 2.343 238 V HA -0.257 3.867 4.120 0.007 0.000 0.247 238 V C 2.220 178.412 176.094 0.164 0.000 1.051 238 V CA 1.634 64.008 62.300 0.124 0.000 1.036 238 V CB -0.319 31.605 31.823 0.168 0.000 0.654 238 V HN 0.321 nan 8.190 nan 0.000 0.451 239 L N -1.135 120.217 121.223 0.216 0.000 2.056 239 L HA -0.199 4.145 4.340 0.007 0.000 0.207 239 L C 2.600 179.540 176.870 0.117 0.000 1.078 239 L CA 1.461 56.457 54.840 0.260 0.000 0.749 239 L CB -0.698 41.558 42.059 0.328 0.000 0.901 239 L HN 0.378 nan 8.230 nan 0.000 0.433 240 C N -0.354 118.988 119.300 0.070 0.000 2.446 240 C HA -0.131 4.332 4.460 0.007 0.000 0.277 240 C C 2.873 177.842 174.990 -0.036 0.000 1.275 240 C CA 0.677 59.693 59.018 -0.003 0.000 1.727 240 C CB -0.484 27.255 27.740 -0.001 0.000 2.010 240 C HN 0.414 nan 8.230 nan 0.000 0.486 241 K N 2.083 122.482 120.400 -0.001 0.000 2.057 241 K HA -0.053 4.270 4.320 0.007 0.000 0.207 241 K C 1.987 178.575 176.600 -0.021 0.000 1.049 241 K CA 2.030 58.313 56.287 -0.008 0.000 0.931 241 K CB -0.680 31.830 32.500 0.016 0.000 0.714 241 K HN 0.370 nan 8.250 nan 0.000 0.440 242 A N 0.650 123.469 122.820 -0.001 0.000 1.877 242 A HA -0.216 4.107 4.320 0.007 0.000 0.216 242 A C 2.142 179.599 177.584 -0.210 0.000 1.186 242 A CA 1.827 53.861 52.037 -0.005 0.000 0.620 242 A CB -0.605 18.503 19.000 0.180 0.000 0.822 242 A HN 0.544 nan 8.150 nan 0.000 0.443 243 Q N -0.668 118.881 119.800 -0.419 0.000 2.084 243 Q HA -0.110 4.234 4.340 0.007 0.000 0.202 243 Q C 2.420 178.284 176.000 -0.226 0.000 0.978 243 Q CA 1.366 56.864 55.803 -0.508 0.000 0.844 243 Q CB -0.414 28.046 28.738 -0.463 0.000 0.898 243 Q HN 0.682 nan 8.270 nan 0.000 0.426 244 A N 1.491 124.224 122.820 -0.144 0.000 1.940 244 A HA -0.229 4.095 4.320 0.007 0.000 0.219 244 A C 1.529 179.071 177.584 -0.070 0.000 1.176 244 A CA 1.830 53.814 52.037 -0.088 0.000 0.631 244 A CB -0.395 18.566 19.000 -0.065 0.000 0.814 244 A HN 0.241 nan 8.150 nan 0.000 0.446 245 D N -0.651 119.713 120.400 -0.061 0.000 2.178 245 D HA -0.088 4.556 4.640 0.007 0.000 0.202 245 D C 1.787 178.063 176.300 -0.039 0.000 0.974 245 D CA 0.927 54.908 54.000 -0.031 0.000 0.841 245 D CB -0.292 40.511 40.800 0.004 0.000 0.953 245 D HN 0.367 nan 8.370 nan 0.000 0.478 246 L N 0.791 121.979 121.223 -0.058 0.000 2.027 246 L HA -0.011 4.333 4.340 0.007 0.000 0.206 246 L C 2.150 178.976 176.870 -0.073 0.000 1.074 246 L CA 1.554 56.367 54.840 -0.046 0.000 0.745 246 L CB -0.671 41.356 42.059 -0.054 0.000 0.898 246 L HN -0.028 nan 8.230 nan 0.000 0.433 247 A N -0.486 122.289 122.820 -0.075 0.000 1.908 247 A HA -0.168 4.156 4.320 0.007 0.000 0.218 247 A C 2.446 179.990 177.584 -0.066 0.000 1.181 247 A CA 1.829 53.832 52.037 -0.058 0.000 0.627 247 A CB -1.195 17.779 19.000 -0.045 0.000 0.818 247 A HN 0.559 nan 8.150 nan 0.000 0.445 248 A N -0.157 122.622 122.820 -0.068 0.000 1.908 248 A HA -0.208 4.116 4.320 0.007 0.000 0.218 248 A C 2.112 179.636 177.584 -0.100 0.000 1.181 248 A CA 1.978 53.975 52.037 -0.066 0.000 0.627 248 A CB -0.399 18.570 19.000 -0.052 0.000 0.818 248 A HN 0.592 nan 8.150 nan 0.000 0.445 249 K N -1.421 118.886 120.400 -0.155 0.000 2.186 249 K HA 0.233 4.557 4.320 0.007 0.000 0.202 249 K C 1.396 177.750 176.600 -0.411 0.000 1.052 249 K CA 0.965 57.067 56.287 -0.308 0.000 0.965 249 K CB 0.018 32.260 32.500 -0.430 0.000 0.746 249 K HN 0.414 nan 8.250 nan 0.000 0.457 250 A N 0.304 122.969 122.820 -0.258 0.000 2.653 250 A HA 0.443 4.767 4.320 0.007 0.000 0.248 250 A C 0.222 177.785 177.584 -0.035 0.000 1.211 250 A CA -0.341 51.613 52.037 -0.138 0.000 0.991 250 A CB 0.498 19.475 19.000 -0.039 0.000 1.252 250 A HN 0.165 nan 8.150 nan 0.000 0.593 251 A N 1.114 123.913 122.820 -0.035 0.000 2.498 251 A HA 0.437 4.761 4.320 0.007 0.000 0.239 251 A C 0.401 177.993 177.584 0.013 0.000 1.068 251 A CA 0.154 52.191 52.037 0.000 0.000 0.766 251 A CB 0.019 19.020 19.000 0.001 0.000 1.003 251 A HN 0.462 nan 8.150 nan 0.000 0.497 252 K N 2.148 122.568 120.400 0.034 0.000 2.180 252 K HA 0.314 4.638 4.320 0.007 0.000 0.251 252 K C -2.233 174.393 176.600 0.044 0.000 1.014 252 K CA -1.193 55.119 56.287 0.041 0.000 0.913 252 K CB 0.189 32.723 32.500 0.057 0.000 1.008 252 K HN 0.594 nan 8.250 nan 0.000 0.490 253 P HA 0.034 nan 4.420 nan 0.000 0.279 253 P C -0.800 176.540 177.300 0.066 0.000 1.239 253 P CA -0.327 62.797 63.100 0.040 0.000 0.789 253 P CB 0.584 32.299 31.700 0.025 0.000 0.933 254 T N 2.143 116.742 114.554 0.075 0.000 2.905 254 T HA 0.208 4.562 4.350 0.007 0.000 0.299 254 T C 1.127 175.902 174.700 0.125 0.000 1.024 254 T CA 0.567 62.741 62.100 0.123 0.000 1.151 254 T CB 0.025 68.955 68.868 0.104 0.000 0.987 254 T HN 0.566 nan 8.240 nan 0.000 0.535 255 G N 1.964 110.891 108.800 0.213 0.000 2.580 255 G HA2 0.400 4.364 3.960 0.007 0.000 0.278 255 G HA3 0.400 4.364 3.960 0.007 0.000 0.278 255 G C -0.430 174.457 174.900 -0.022 0.000 1.212 255 G CA -0.668 44.448 45.100 0.026 0.000 0.939 255 G HN 0.582 nan 8.290 nan 0.000 0.513 256 E N 0.183 120.233 120.200 -0.251 0.000 2.035 256 E HA 0.315 4.669 4.350 0.007 0.000 0.271 256 E C -1.096 175.311 176.600 -0.321 0.000 0.953 256 E CA -0.111 56.192 56.400 -0.162 0.000 0.777 256 E CB 1.092 30.715 29.700 -0.128 0.000 1.104 256 E HN 0.226 nan 8.360 nan 0.000 0.408 257 F N 3.439 123.388 119.950 -0.002 0.000 2.450 257 F HA 0.355 4.884 4.527 0.005 0.000 0.332 257 F C -1.475 174.296 175.800 -0.049 0.000 1.093 257 F CA -2.207 55.792 58.000 -0.000 0.000 1.003 257 F CB 0.984 40.001 39.000 0.028 0.000 1.151 257 F HN 0.168 nan 8.300 nan 0.000 0.474 258 P HA 0.194 nan 4.420 nan 0.000 0.271 258 P C -0.964 176.191 177.300 -0.242 0.000 1.216 258 P CA -0.058 62.959 63.100 -0.139 0.000 0.771 258 P CB 1.427 33.036 31.700 -0.152 0.000 0.864 259 V N 3.812 123.485 119.914 -0.400 0.000 2.581 259 V HA 0.371 4.495 4.120 0.007 0.000 0.303 259 V C -0.247 175.505 176.094 -0.571 0.000 1.041 259 V CA -0.383 61.734 62.300 -0.306 0.000 0.907 259 V CB 1.061 32.795 31.823 -0.148 0.000 0.994 259 V HN 0.363 nan 8.190 nan 0.000 0.442 260 F N 4.435 124.380 119.950 -0.008 0.000 2.430 260 F HA 0.540 5.072 4.527 0.007 0.000 0.362 260 F C 0.181 175.961 175.800 -0.033 0.000 1.103 260 F CA -0.491 57.501 58.000 -0.013 0.000 1.045 260 F CB 1.016 40.011 39.000 -0.009 0.000 1.276 260 F HN 0.211 nan 8.300 nan 0.000 0.444 261 L N 3.082 124.342 121.223 0.061 0.000 2.473 261 L HA 0.149 4.493 4.340 0.007 0.000 0.268 261 L C 0.938 177.798 176.870 -0.016 0.000 1.215 261 L CA -0.064 54.757 54.840 -0.032 0.000 0.823 261 L CB 0.566 42.578 42.059 -0.079 0.000 1.099 261 L HN 0.502 nan 8.230 nan 0.000 0.483 262 D N -0.461 119.854 120.400 -0.141 0.000 2.249 262 D HA 0.018 4.662 4.640 0.007 0.000 0.205 262 D C -0.601 175.727 176.300 0.047 0.000 0.962 262 D CA 1.183 55.152 54.000 -0.052 0.000 0.860 262 D CB 0.323 41.086 40.800 -0.062 0.000 0.955 262 D HN 0.458 nan 8.370 nan 0.000 0.505 263 Y N -1.996 118.343 120.300 0.066 0.000 2.620 263 Y HA 0.455 5.007 4.550 0.005 0.000 0.331 263 Y C -0.867 175.064 175.900 0.052 0.000 1.173 263 Y CA -1.389 56.745 58.100 0.056 0.000 1.076 263 Y CB 0.321 38.804 38.460 0.038 0.000 1.336 263 Y HN -0.399 nan 8.280 nan 0.000 0.459 264 Q N 1.782 121.760 119.800 0.296 0.000 2.256 264 Q HA 0.233 4.576 4.340 0.007 0.000 0.232 264 Q C 0.280 176.446 176.000 0.277 0.000 0.965 264 Q CA -0.130 55.803 55.803 0.216 0.000 0.908 264 Q CB 1.184 30.021 28.738 0.165 0.000 1.209 264 Q HN 0.923 nan 8.270 nan 0.000 0.489 265 D N 0.958 121.473 120.400 0.192 0.000 2.149 265 D HA -0.183 4.461 4.640 0.007 0.000 0.198 265 D C 1.145 177.517 176.300 0.120 0.000 0.990 265 D CA 1.450 55.545 54.000 0.158 0.000 0.839 265 D CB 0.107 40.972 40.800 0.109 0.000 0.948 265 D HN 0.622 nan 8.370 nan 0.000 0.460 266 D N 1.111 121.600 120.400 0.149 0.000 2.221 266 D HA -0.126 4.518 4.640 0.007 0.000 0.204 266 D C 2.117 178.501 176.300 0.139 0.000 0.982 266 D CA 0.573 54.688 54.000 0.192 0.000 0.857 266 D CB -0.507 40.457 40.800 0.273 0.000 0.934 266 D HN 0.156 nan 8.370 nan 0.000 0.475 267 V N 0.604 120.536 119.914 0.030 0.000 2.407 267 V HA -0.156 3.968 4.120 0.007 0.000 0.245 267 V C 2.538 178.453 176.094 -0.298 0.000 1.041 267 V CA 0.975 63.090 62.300 -0.307 0.000 1.040 267 V CB -0.506 31.204 31.823 -0.188 0.000 0.671 267 V HN 0.139 nan 8.190 nan 0.000 0.455 268 L N 0.463 121.565 121.223 -0.200 0.000 2.056 268 L HA -0.101 4.243 4.340 0.007 0.000 0.207 268 L C 2.353 179.147 176.870 -0.127 0.000 1.078 268 L CA 1.882 56.580 54.840 -0.237 0.000 0.749 268 L CB -0.676 41.253 42.059 -0.217 0.000 0.901 268 L HN 0.367 nan 8.230 nan 0.000 0.433 269 E N -0.281 119.886 120.200 -0.055 0.000 2.077 269 E HA -0.196 4.158 4.350 0.007 0.000 0.193 269 E C 2.175 178.759 176.600 -0.028 0.000 0.989 269 E CA 1.131 57.520 56.400 -0.018 0.000 0.800 269 E CB -0.355 29.361 29.700 0.026 0.000 0.746 269 E HN 0.643 nan 8.360 nan 0.000 0.452 270 A N 1.509 124.301 122.820 -0.046 0.000 1.845 270 A HA -0.185 4.139 4.320 0.007 0.000 0.215 270 A C 2.230 179.752 177.584 -0.104 0.000 1.195 270 A CA 1.319 53.325 52.037 -0.051 0.000 0.616 270 A CB -0.728 18.195 19.000 -0.129 0.000 0.832 270 A HN 0.243 nan 8.150 nan 0.000 0.443 271 L N -0.100 121.012 121.223 -0.185 0.000 2.042 271 L HA -0.121 4.223 4.340 0.007 0.000 0.210 271 L C 2.570 179.396 176.870 -0.073 0.000 1.076 271 L CA 2.712 57.466 54.840 -0.142 0.000 0.749 271 L CB -0.841 41.116 42.059 -0.171 0.000 0.893 271 L HN 0.368 nan 8.230 nan 0.000 0.432 272 S N -0.665 114.991 115.700 -0.074 0.000 2.353 272 S HA -0.212 4.262 4.470 0.007 0.000 0.222 272 S C 2.174 176.758 174.600 -0.026 0.000 1.035 272 S CA 1.442 59.614 58.200 -0.046 0.000 1.025 272 S CB -0.627 62.544 63.200 -0.048 0.000 0.902 272 S HN 0.686 nan 8.310 nan 0.000 0.440 273 A N 1.062 123.869 122.820 -0.021 0.000 1.978 273 A HA 0.151 4.474 4.320 0.007 0.000 0.220 273 A C 2.388 179.969 177.584 -0.005 0.000 1.170 273 A CA 1.961 53.994 52.037 -0.007 0.000 0.636 273 A CB -1.189 17.813 19.000 0.004 0.000 0.810 273 A HN 0.767 nan 8.150 nan 0.000 0.448 274 A N -0.717 122.096 122.820 -0.012 0.000 1.898 274 A HA 0.166 4.490 4.320 0.007 0.000 0.214 274 A C 1.941 179.521 177.584 -0.007 0.000 1.183 274 A CA 2.073 54.104 52.037 -0.010 0.000 0.622 274 A CB -0.487 18.500 19.000 -0.022 0.000 0.824 274 A HN 1.265 nan 8.150 nan 0.000 0.444 275 V N -4.210 115.702 119.914 -0.003 0.000 3.382 275 V HA 0.287 4.411 4.120 0.007 0.000 0.296 275 V C 1.709 177.816 176.094 0.020 0.000 1.529 275 V CA 0.772 63.080 62.300 0.013 0.000 1.048 275 V CB -0.535 31.305 31.823 0.028 0.000 0.878 275 V HN 0.399 nan 8.190 nan 0.000 0.442 276 R N 2.080 122.584 120.500 0.007 0.000 2.159 276 R HA -0.171 4.173 4.340 0.007 0.000 0.249 276 R C -0.369 175.929 176.300 -0.003 0.000 1.136 276 R CA 3.276 59.374 56.100 -0.004 0.000 0.951 276 R CB -1.591 28.700 30.300 -0.015 0.000 0.876 276 R HN 0.482 nan 8.270 nan 0.000 0.440 277 P HA -0.108 nan 4.420 nan 0.000 0.214 277 P C 0.618 177.921 177.300 0.004 0.000 1.162 277 P CA 1.484 64.584 63.100 -0.001 0.000 0.879 277 P CB 0.007 31.707 31.700 -0.000 0.000 0.786 278 E N -0.790 119.416 120.200 0.011 0.000 2.110 278 E HA -0.156 4.198 4.350 0.007 0.000 0.193 278 E C 1.833 178.449 176.600 0.027 0.000 0.988 278 E CA 0.731 57.142 56.400 0.018 0.000 0.804 278 E CB -1.286 28.426 29.700 0.020 0.000 0.745 278 E HN 0.112 nan 8.360 nan 0.000 0.458 279 L N 0.762 122.007 121.223 0.036 0.000 2.005 279 L HA -0.139 4.205 4.340 0.007 0.000 0.207 279 L C 2.063 178.934 176.870 0.001 0.000 1.072 279 L CA 2.251 57.116 54.840 0.042 0.000 0.744 279 L CB -1.027 41.063 42.059 0.052 0.000 0.895 279 L HN 0.195 nan 8.230 nan 0.000 0.433 280 S N -0.541 115.151 115.700 -0.014 0.000 2.419 280 S HA -0.122 4.352 4.470 0.007 0.000 0.235 280 S C 1.986 176.578 174.600 -0.014 0.000 1.019 280 S CA 0.895 59.079 58.200 -0.026 0.000 0.982 280 S CB -0.908 62.275 63.200 -0.028 0.000 0.789 280 S HN 0.539 nan 8.310 nan 0.000 0.490 281 A N 1.964 124.782 122.820 -0.003 0.000 1.878 281 A HA 0.560 4.884 4.320 0.007 0.000 0.213 281 A C 2.522 180.110 177.584 0.006 0.000 1.192 281 A CA 1.111 53.148 52.037 0.001 0.000 0.619 281 A CB -1.398 17.604 19.000 0.004 0.000 0.837 281 A HN 0.778 nan 8.150 nan 0.000 0.446 282 A N -0.013 122.815 122.820 0.014 0.000 1.978 282 A HA -0.057 4.267 4.320 0.007 0.000 0.220 282 A C 1.944 179.538 177.584 0.017 0.000 1.170 282 A CA 1.402 53.451 52.037 0.021 0.000 0.636 282 A CB -0.661 18.363 19.000 0.039 0.000 0.810 282 A HN 0.468 nan 8.150 nan 0.000 0.448 283 L N 0.307 121.534 121.223 0.006 0.000 2.622 283 L HA -0.071 4.272 4.340 0.007 0.000 0.233 283 L C 2.218 179.088 176.870 0.000 0.000 1.156 283 L CA 1.296 56.135 54.840 -0.001 0.000 0.866 283 L CB -0.519 41.525 42.059 -0.026 0.000 0.980 283 L HN 0.651 nan 8.230 nan 0.000 0.448 284 T N -3.770 110.785 114.554 0.001 0.000 3.086 284 T HA 0.222 4.576 4.350 0.007 0.000 0.250 284 T C 0.737 175.441 174.700 0.005 0.000 1.074 284 T CA -0.249 61.851 62.100 0.001 0.000 0.988 284 T CB -0.202 68.665 68.868 -0.001 0.000 0.988 284 T HN 0.074 nan 8.240 nan 0.000 0.530 285 I N 2.349 122.925 120.570 0.009 0.000 2.406 285 I HA 0.304 4.478 4.170 0.007 0.000 0.293 285 I C 1.576 177.701 176.117 0.012 0.000 1.101 285 I CA -0.601 60.706 61.300 0.011 0.000 1.334 285 I CB 0.786 38.795 38.000 0.015 0.000 1.421 285 I HN 0.215 nan 8.210 nan 0.000 0.513 286 A N 5.483 128.308 122.820 0.009 0.000 2.209 286 A HA 0.150 4.474 4.320 0.007 0.000 0.212 286 A C 1.246 178.836 177.584 0.010 0.000 1.158 286 A CA 0.550 52.593 52.037 0.009 0.000 0.742 286 A CB -0.434 18.570 19.000 0.006 0.000 0.790 286 A HN 0.765 nan 8.150 nan 0.000 0.472 287 G N -0.916 107.890 108.800 0.011 0.000 2.377 287 G HA2 0.400 4.364 3.960 0.007 0.000 0.299 287 G HA3 0.400 4.364 3.960 0.007 0.000 0.299 287 G C 0.567 175.475 174.900 0.014 0.000 1.150 287 G CA -0.068 45.038 45.100 0.010 0.000 0.847 287 G HN 0.206 nan 8.290 nan 0.000 0.501 288 K N 0.894 121.301 120.400 0.013 0.000 1.963 288 K HA -0.122 4.202 4.320 0.007 0.000 0.216 288 K C 2.482 179.093 176.600 0.018 0.000 1.045 288 K CA 1.739 58.035 56.287 0.016 0.000 0.954 288 K CB -0.421 32.086 32.500 0.012 0.000 0.732 288 K HN 0.386 nan 8.250 nan 0.000 0.442 289 Q N 0.805 120.613 119.800 0.014 0.000 2.135 289 Q HA -0.115 4.229 4.340 0.007 0.000 0.204 289 Q C 1.722 177.731 176.000 0.016 0.000 0.981 289 Q CA 2.112 57.925 55.803 0.015 0.000 0.856 289 Q CB -0.406 28.339 28.738 0.011 0.000 0.902 289 Q HN 0.496 nan 8.270 nan 0.000 0.425 290 D N -0.523 119.886 120.400 0.015 0.000 2.084 290 D HA -0.154 4.490 4.640 0.007 0.000 0.194 290 D C 1.737 178.049 176.300 0.020 0.000 0.990 290 D CA 1.251 55.260 54.000 0.015 0.000 0.826 290 D CB -0.169 40.638 40.800 0.012 0.000 0.971 290 D HN 0.139 nan 8.370 nan 0.000 0.453 291 R N 0.650 121.163 120.500 0.022 0.000 2.088 291 R HA -0.203 4.141 4.340 0.007 0.000 0.232 291 R C 2.042 178.365 176.300 0.038 0.000 1.136 291 R CA 1.614 57.732 56.100 0.029 0.000 0.926 291 R CB -0.240 30.078 30.300 0.029 0.000 0.837 291 R HN -0.011 nan 8.270 nan 0.000 0.429 292 E N 0.110 120.333 120.200 0.039 0.000 2.233 292 E HA -0.200 4.154 4.350 0.007 0.000 0.199 292 E C 1.531 178.156 176.600 0.041 0.000 1.004 292 E CA 1.662 58.090 56.400 0.046 0.000 0.819 292 E CB -0.179 29.545 29.700 0.040 0.000 0.738 292 E HN 0.505 nan 8.360 nan 0.000 0.478 293 A N 0.318 123.156 122.820 0.031 0.000 1.832 293 A HA -0.156 4.168 4.320 0.007 0.000 0.214 293 A C 2.213 179.812 177.584 0.026 0.000 1.204 293 A CA 1.685 53.737 52.037 0.024 0.000 0.606 293 A CB -0.761 18.250 19.000 0.018 0.000 0.849 293 A HN 0.274 nan 8.150 nan 0.000 0.445 294 E N -0.357 119.859 120.200 0.027 0.000 2.153 294 E HA -0.149 4.204 4.350 0.007 0.000 0.194 294 E C 1.563 178.189 176.600 0.043 0.000 0.988 294 E CA 0.921 57.338 56.400 0.028 0.000 0.811 294 E CB -0.401 29.314 29.700 0.025 0.000 0.746 294 E HN 0.344 nan 8.360 nan 0.000 0.466 295 L N 0.520 121.778 121.223 0.058 0.000 2.633 295 L HA -0.033 4.311 4.340 0.007 0.000 0.235 295 L C 1.202 178.131 176.870 0.098 0.000 1.163 295 L CA 1.467 56.366 54.840 0.098 0.000 0.859 295 L CB -0.144 41.976 42.059 0.101 0.000 0.973 295 L HN 0.128 nan 8.230 nan 0.000 0.451 296 D N -1.436 118.994 120.400 0.050 0.000 2.463 296 D HA -0.006 4.638 4.640 0.007 0.000 0.237 296 D C 2.210 178.505 176.300 -0.007 0.000 1.013 296 D CA 0.477 54.489 54.000 0.020 0.000 0.910 296 D CB 0.298 41.109 40.800 0.018 0.000 1.080 296 D HN 0.111 nan 8.370 nan 0.000 0.498 297 R N 0.110 120.612 120.500 0.003 0.000 2.105 297 R HA -0.094 4.250 4.340 0.007 0.000 0.239 297 R C 2.238 178.527 176.300 -0.018 0.000 1.135 297 R CA 1.163 57.259 56.100 -0.006 0.000 0.967 297 R CB -0.208 30.095 30.300 0.004 0.000 0.861 297 R HN 0.123 nan 8.270 nan 0.000 0.442 298 V N 1.381 121.292 119.914 -0.004 0.000 2.261 298 V HA -0.268 3.856 4.120 0.007 0.000 0.246 298 V C 2.139 178.172 176.094 -0.102 0.000 1.047 298 V CA 1.750 64.045 62.300 -0.009 0.000 1.015 298 V CB -0.463 31.402 31.823 0.070 0.000 0.642 298 V HN 0.319 nan 8.190 nan 0.000 0.446 299 K N 0.458 120.744 120.400 -0.189 0.000 2.074 299 K HA -0.233 4.091 4.320 0.007 0.000 0.209 299 K C 2.297 178.760 176.600 -0.228 0.000 1.048 299 K CA 1.693 57.739 56.287 -0.402 0.000 0.926 299 K CB -0.515 31.761 32.500 -0.374 0.000 0.713 299 K HN 0.500 nan 8.250 nan 0.000 0.444 300 A N 2.176 124.920 122.820 -0.127 0.000 1.845 300 A HA -0.152 4.172 4.320 0.007 0.000 0.215 300 A C 2.071 179.614 177.584 -0.070 0.000 1.195 300 A CA 1.111 53.099 52.037 -0.081 0.000 0.616 300 A CB -0.755 18.216 19.000 -0.048 0.000 0.832 300 A HN 0.283 nan 8.150 nan 0.000 0.443 301 L N -0.585 120.604 121.223 -0.056 0.000 2.189 301 L HA -0.198 4.145 4.340 0.007 0.000 0.214 301 L C 2.348 179.188 176.870 -0.050 0.000 1.097 301 L CA 2.433 57.250 54.840 -0.039 0.000 0.764 301 L CB -1.113 40.931 42.059 -0.025 0.000 0.900 301 L HN 0.434 nan 8.230 nan 0.000 0.436 302 A N -0.136 122.632 122.820 -0.088 0.000 1.844 302 A HA 0.126 4.450 4.320 0.007 0.000 0.212 302 A C 2.275 179.801 177.584 -0.097 0.000 1.221 302 A CA 0.976 52.951 52.037 -0.103 0.000 0.607 302 A CB -0.931 17.967 19.000 -0.169 0.000 0.878 302 A HN 0.447 nan 8.150 nan 0.000 0.451 303 A N -0.854 121.893 122.820 -0.122 0.000 2.259 303 A HA -0.028 4.296 4.320 0.007 0.000 0.212 303 A C 1.603 179.164 177.584 -0.038 0.000 1.178 303 A CA 1.446 53.433 52.037 -0.084 0.000 0.734 303 A CB -0.295 18.647 19.000 -0.097 0.000 0.774 303 A HN 0.470 nan 8.150 nan 0.000 0.481 304 E N -1.419 118.762 120.200 -0.032 0.000 2.453 304 E HA 0.057 4.411 4.350 0.007 0.000 0.211 304 E C 1.528 178.132 176.600 0.007 0.000 0.897 304 E CA 0.277 56.672 56.400 -0.009 0.000 1.063 304 E CB 0.191 29.882 29.700 -0.015 0.000 1.080 304 E HN 0.672 nan 8.360 nan 0.000 0.512 305 K N 0.421 120.823 120.400 0.003 0.000 2.323 305 K HA 0.079 4.402 4.320 0.007 0.000 0.197 305 K C 1.199 177.836 176.600 0.061 0.000 1.043 305 K CA 0.183 56.483 56.287 0.022 0.000 0.997 305 K CB 0.395 32.899 32.500 0.007 0.000 0.807 305 K HN -0.084 nan 8.250 nan 0.000 0.497 306 L N 1.045 122.307 121.223 0.065 0.000 2.607 306 L HA 0.253 4.597 4.340 0.007 0.000 0.228 306 L C -0.087 176.944 176.870 0.268 0.000 1.123 306 L CA 0.414 55.363 54.840 0.181 0.000 0.890 306 L CB 0.230 42.281 42.059 -0.013 0.000 1.103 306 L HN 0.036 nan 8.230 nan 0.000 0.468 307 L N 0.665 121.968 121.223 0.133 0.000 2.334 307 L HA 0.411 4.755 4.340 0.007 0.000 0.273 307 L C -1.394 175.515 176.870 0.064 0.000 1.013 307 L CA -1.360 53.542 54.840 0.103 0.000 0.816 307 L CB 1.656 43.752 42.059 0.063 0.000 1.278 307 L HN -0.152 nan 8.230 nan 0.000 0.431 308 P HA 0.060 nan 4.420 nan 0.000 0.257 308 P C 0.462 177.770 177.300 0.013 0.000 1.281 308 P CA 0.133 63.254 63.100 0.035 0.000 0.826 308 P CB 0.618 32.326 31.700 0.013 0.000 1.237 309 E N 0.510 120.714 120.200 0.006 0.000 2.086 309 E HA -0.140 4.214 4.350 0.007 0.000 0.200 309 E C 0.120 176.529 176.600 -0.318 0.000 1.012 309 E CA 1.382 57.687 56.400 -0.160 0.000 0.812 309 E CB -0.713 28.898 29.700 -0.148 0.000 0.743 309 E HN 0.369 nan 8.360 nan 0.000 0.453 310 F N 1.237 121.192 119.950 0.008 0.000 2.318 310 F HA 0.272 4.802 4.527 0.004 0.000 0.356 310 F C 0.220 176.028 175.800 0.013 0.000 1.109 310 F CA -0.507 57.501 58.000 0.013 0.000 1.234 310 F CB 0.574 39.583 39.000 0.014 0.000 1.545 310 F HN -0.298 nan 8.300 nan 0.000 0.534 311 E N 0.815 121.078 120.200 0.105 0.000 2.216 311 E HA 0.450 4.804 4.350 0.007 0.000 0.279 311 E C 1.021 177.667 176.600 0.077 0.000 0.997 311 E CA -0.045 56.402 56.400 0.078 0.000 0.817 311 E CB 1.748 31.469 29.700 0.036 0.000 1.096 311 E HN 0.721 nan 8.360 nan 0.000 0.393 312 G N 3.360 112.204 108.800 0.073 0.000 2.159 312 G HA2 -0.346 3.618 3.960 0.007 0.000 0.256 312 G HA3 -0.346 3.618 3.960 0.007 0.000 0.256 312 G C 0.720 175.673 174.900 0.088 0.000 0.977 312 G CA 0.402 45.542 45.100 0.067 0.000 0.652 312 G HN 0.508 nan 8.290 nan 0.000 0.531 313 R N -0.456 120.115 120.500 0.119 0.000 2.596 313 R HA 0.297 4.641 4.340 0.007 0.000 0.369 313 R C 1.495 177.858 176.300 0.106 0.000 1.042 313 R CA 0.209 56.392 56.100 0.137 0.000 1.120 313 R CB 0.227 30.658 30.300 0.219 0.000 1.353 313 R HN 0.315 nan 8.270 nan 0.000 0.564 314 E N 1.659 121.908 120.200 0.082 0.000 2.114 314 E HA -0.228 4.126 4.350 0.007 0.000 0.199 314 E C 1.312 177.943 176.600 0.051 0.000 1.008 314 E CA 1.483 57.914 56.400 0.051 0.000 0.810 314 E CB 0.038 29.763 29.700 0.042 0.000 0.739 314 E HN 0.182 nan 8.360 nan 0.000 0.456 315 K N 0.423 120.864 120.400 0.068 0.000 2.097 315 K HA -0.151 4.172 4.320 0.007 0.000 0.206 315 K C 1.988 178.653 176.600 0.108 0.000 1.049 315 K CA 1.375 57.711 56.287 0.082 0.000 0.933 315 K CB -0.076 32.473 32.500 0.081 0.000 0.717 315 K HN 0.255 nan 8.250 nan 0.000 0.442 316 E N 0.584 120.854 120.200 0.116 0.000 2.150 316 E HA -0.154 4.200 4.350 0.007 0.000 0.193 316 E C 2.043 178.686 176.600 0.070 0.000 0.985 316 E CA 0.827 57.324 56.400 0.162 0.000 0.814 316 E CB -0.114 29.688 29.700 0.171 0.000 0.752 316 E HN 0.321 nan 8.360 nan 0.000 0.466 317 I N 1.667 122.238 120.570 0.002 0.000 2.113 317 I HA -0.286 3.888 4.170 0.007 0.000 0.238 317 I C 2.797 178.909 176.117 -0.009 0.000 1.070 317 I CA 1.563 62.819 61.300 -0.074 0.000 1.332 317 I CB -0.535 37.411 38.000 -0.090 0.000 1.044 317 I HN 0.124 nan 8.210 nan 0.000 0.402 318 S N 1.329 117.054 115.700 0.042 0.000 2.399 318 S HA -0.110 4.364 4.470 0.007 0.000 0.231 318 S C 2.166 176.872 174.600 0.177 0.000 1.022 318 S CA 0.853 59.124 58.200 0.119 0.000 0.983 318 S CB -0.550 62.709 63.200 0.097 0.000 0.803 318 S HN 0.422 nan 8.310 nan 0.000 0.480 319 A N 1.946 124.862 122.820 0.161 0.000 1.930 319 A HA 0.409 4.733 4.320 0.007 0.000 0.217 319 A C 2.500 180.197 177.584 0.190 0.000 1.175 319 A CA 1.476 53.654 52.037 0.236 0.000 0.627 319 A CB -1.328 17.870 19.000 0.330 0.000 0.815 319 A HN 0.828 nan 8.150 nan 0.000 0.443 320 A N -1.755 121.007 122.820 -0.097 0.000 1.968 320 A HA -0.044 4.280 4.320 0.007 0.000 0.217 320 A C 2.065 179.523 177.584 -0.210 0.000 1.169 320 A CA 1.453 53.114 52.037 -0.627 0.000 0.638 320 A CB -0.716 17.810 19.000 -0.789 0.000 0.812 320 A HN 0.656 nan 8.150 nan 0.000 0.446 321 Y N 0.484 120.686 120.300 -0.163 0.000 2.333 321 Y HA -0.146 4.408 4.550 0.007 0.000 0.290 321 Y C 2.390 178.268 175.900 -0.037 0.000 1.144 321 Y CA 1.541 59.584 58.100 -0.094 0.000 1.228 321 Y CB -0.117 38.311 38.460 -0.054 0.000 0.985 321 Y HN 0.152 nan 8.280 nan 0.000 0.542 322 R N -0.030 120.450 120.500 -0.032 0.000 2.062 322 R HA -0.003 4.341 4.340 0.007 0.000 0.226 322 R C 2.512 178.791 176.300 -0.035 0.000 1.125 322 R CA 1.129 57.220 56.100 -0.014 0.000 0.966 322 R CB -1.228 29.159 30.300 0.144 0.000 0.861 322 R HN 0.409 nan 8.270 nan 0.000 0.433 323 A N 1.428 124.262 122.820 0.023 0.000 1.883 323 A HA -0.189 4.134 4.320 0.007 0.000 0.217 323 A C 2.180 179.700 177.584 -0.106 0.000 1.186 323 A CA 1.388 53.442 52.037 0.029 0.000 0.624 323 A CB -0.672 18.423 19.000 0.158 0.000 0.822 323 A HN 0.226 nan 8.150 nan 0.000 0.444 324 L N -0.205 120.921 121.223 -0.161 0.000 2.017 324 L HA -0.125 4.219 4.340 0.007 0.000 0.208 324 L C 2.522 179.234 176.870 -0.262 0.000 1.073 324 L CA 2.872 57.602 54.840 -0.184 0.000 0.745 324 L CB -1.196 40.768 42.059 -0.158 0.000 0.894 324 L HN 0.402 nan 8.230 nan 0.000 0.432 325 T N -0.352 113.980 114.554 -0.372 0.000 2.684 325 T HA -0.275 4.079 4.350 0.007 0.000 0.267 325 T C 1.870 176.215 174.700 -0.592 0.000 1.036 325 T CA 1.886 63.724 62.100 -0.437 0.000 1.148 325 T CB -0.260 68.329 68.868 -0.464 0.000 0.863 325 T HN 0.362 nan 8.240 nan 0.000 0.436 326 K N 0.757 120.709 120.400 -0.747 0.000 2.032 326 K HA -0.145 4.179 4.320 0.007 0.000 0.209 326 K C 2.680 178.956 176.600 -0.539 0.000 1.048 326 K CA 1.700 57.331 56.287 -1.092 0.000 0.927 326 K CB -0.411 31.764 32.500 -0.543 0.000 0.712 326 K HN 0.216 nan 8.250 nan 0.000 0.441 327 S N 0.620 116.137 115.700 -0.306 0.000 2.359 327 S HA -0.149 4.325 4.470 0.007 0.000 0.223 327 S C 1.971 176.462 174.600 -0.181 0.000 1.039 327 S CA 1.524 59.615 58.200 -0.181 0.000 1.042 327 S CB -0.352 62.775 63.200 -0.122 0.000 0.915 327 S HN 0.370 nan 8.310 nan 0.000 0.439 328 L N 0.865 121.965 121.223 -0.204 0.000 2.017 328 L HA -0.083 4.261 4.340 0.007 0.000 0.208 328 L C 2.544 179.319 176.870 -0.159 0.000 1.073 328 L CA 1.208 55.953 54.840 -0.158 0.000 0.745 328 L CB -0.746 41.223 42.059 -0.150 0.000 0.894 328 L HN 0.240 nan 8.230 nan 0.000 0.432 329 V N -0.154 119.617 119.914 -0.239 0.000 2.295 329 V HA -0.280 3.843 4.120 0.007 0.000 0.246 329 V C 2.641 178.669 176.094 -0.109 0.000 1.049 329 V CA 1.766 63.960 62.300 -0.177 0.000 1.024 329 V CB -0.619 31.053 31.823 -0.252 0.000 0.648 329 V HN 0.398 nan 8.190 nan 0.000 0.447 330 R N -0.222 120.194 120.500 -0.139 0.000 2.073 330 R HA -0.207 4.137 4.340 0.007 0.000 0.234 330 R C 2.434 178.708 176.300 -0.043 0.000 1.134 330 R CA 1.873 57.938 56.100 -0.059 0.000 0.952 330 R CB -0.397 29.867 30.300 -0.060 0.000 0.850 330 R HN 0.622 nan 8.270 nan 0.000 0.433 331 E N 0.863 121.027 120.200 -0.061 0.000 2.058 331 E HA -0.261 4.092 4.350 0.007 0.000 0.194 331 E C 2.144 178.725 176.600 -0.031 0.000 0.997 331 E CA 1.230 57.605 56.400 -0.041 0.000 0.801 331 E CB 0.007 29.678 29.700 -0.049 0.000 0.746 331 E HN 0.174 nan 8.360 nan 0.000 0.450 332 R N 0.088 120.565 120.500 -0.038 0.000 2.120 332 R HA -0.132 4.212 4.340 0.007 0.000 0.234 332 R C 2.250 178.540 176.300 -0.015 0.000 1.123 332 R CA 1.291 57.375 56.100 -0.027 0.000 0.975 332 R CB -0.040 30.243 30.300 -0.029 0.000 0.866 332 R HN 0.130 nan 8.270 nan 0.000 0.446 333 V N 1.195 121.104 119.914 -0.009 0.000 2.307 333 V HA -0.251 3.873 4.120 0.007 0.000 0.245 333 V C 2.390 178.485 176.094 0.001 0.000 1.045 333 V CA 1.360 63.662 62.300 0.005 0.000 1.024 333 V CB -0.344 31.492 31.823 0.021 0.000 0.651 333 V HN 0.291 nan 8.190 nan 0.000 0.449 334 I N 0.432 121.000 120.570 -0.002 0.000 2.179 334 I HA -0.191 3.983 4.170 0.007 0.000 0.242 334 I C 2.570 178.667 176.117 -0.033 0.000 1.088 334 I CA 2.091 63.387 61.300 -0.007 0.000 1.357 334 I CB -1.483 36.523 38.000 0.011 0.000 1.051 334 I HN 0.325 nan 8.210 nan 0.000 0.409 335 A N 0.450 123.254 122.820 -0.027 0.000 1.844 335 A HA -0.068 4.256 4.320 0.007 0.000 0.212 335 A C 2.103 179.669 177.584 -0.030 0.000 1.221 335 A CA 0.848 52.864 52.037 -0.034 0.000 0.607 335 A CB -0.360 18.625 19.000 -0.024 0.000 0.878 335 A HN 0.336 nan 8.150 nan 0.000 0.451 336 E N -0.283 119.904 120.200 -0.021 0.000 2.371 336 E HA 0.003 4.357 4.350 0.007 0.000 0.194 336 E C -0.245 176.347 176.600 -0.013 0.000 1.012 336 E CA 0.373 56.763 56.400 -0.017 0.000 0.860 336 E CB -0.091 29.600 29.700 -0.014 0.000 0.811 336 E HN 0.566 nan 8.360 nan 0.000 0.502 337 K N 0.691 121.085 120.400 -0.010 0.000 3.071 337 K HA -0.185 4.138 4.320 0.007 0.000 0.265 337 K C -0.296 176.305 176.600 0.001 0.000 1.060 337 K CA 0.685 56.971 56.287 -0.003 0.000 0.767 337 K CB -1.083 31.413 32.500 -0.005 0.000 1.241 337 K HN 0.054 nan 8.250 nan 0.000 0.486 338 K N 0.724 121.125 120.400 0.001 0.000 2.259 338 K HA 0.409 4.733 4.320 0.007 0.000 0.252 338 K C -0.161 176.444 176.600 0.009 0.000 0.936 338 K CA -0.843 55.446 56.287 0.004 0.000 0.810 338 K CB 1.673 34.173 32.500 -0.000 0.000 1.143 338 K HN 0.060 nan 8.250 nan 0.000 0.427 339 R N 1.554 122.063 120.500 0.015 0.000 2.573 339 R HA 0.303 4.647 4.340 0.007 0.000 0.272 339 R C 1.305 177.622 176.300 0.027 0.000 1.009 339 R CA -0.544 55.571 56.100 0.026 0.000 1.059 339 R CB 0.811 31.128 30.300 0.028 0.000 1.112 339 R HN 0.640 nan 8.270 nan 0.000 0.517 340 I N 1.629 122.224 120.570 0.043 0.000 2.761 340 I HA -0.253 3.921 4.170 0.007 0.000 0.266 340 I C 0.570 176.710 176.117 0.038 0.000 1.239 340 I CA 1.642 62.969 61.300 0.046 0.000 1.451 340 I CB -0.039 38.013 38.000 0.085 0.000 1.096 340 I HN 0.695 nan 8.210 nan 0.000 0.465 341 D N -0.915 119.503 120.400 0.031 0.000 2.431 341 D HA 0.125 4.769 4.640 0.007 0.000 0.213 341 D C 1.353 177.662 176.300 0.016 0.000 1.130 341 D CA 0.704 54.718 54.000 0.023 0.000 0.834 341 D CB 0.496 41.308 40.800 0.021 0.000 0.985 341 D HN 0.324 nan 8.370 nan 0.000 0.504 342 G N 1.045 109.854 108.800 0.014 0.000 2.175 342 G HA2 -0.290 3.674 3.960 0.007 0.000 0.244 342 G HA3 -0.290 3.674 3.960 0.007 0.000 0.244 342 G C 0.354 175.258 174.900 0.006 0.000 0.982 342 G CA -0.107 44.998 45.100 0.009 0.000 0.641 342 G HN 0.404 nan 8.290 nan 0.000 0.527 343 R N 0.364 120.869 120.500 0.008 0.000 2.577 343 R HA 0.518 4.862 4.340 0.007 0.000 0.269 343 R C 1.171 177.474 176.300 0.005 0.000 1.084 343 R CA 0.238 56.342 56.100 0.005 0.000 1.163 343 R CB 0.550 30.854 30.300 0.007 0.000 1.100 343 R HN 0.259 nan 8.270 nan 0.000 0.547 344 G N -0.627 108.174 108.800 0.002 0.000 2.528 344 G HA2 0.229 4.193 3.960 0.007 0.000 0.289 344 G HA3 0.229 4.193 3.960 0.007 0.000 0.289 344 G C 1.050 175.954 174.900 0.007 0.000 1.192 344 G CA -0.536 44.565 45.100 0.002 0.000 0.921 344 G HN 0.493 nan 8.290 nan 0.000 0.512 345 V N -1.773 118.148 119.914 0.011 0.000 2.982 345 V HA -0.056 4.068 4.120 0.007 0.000 0.265 345 V C 1.836 177.940 176.094 0.017 0.000 1.122 345 V CA 2.224 64.535 62.300 0.019 0.000 1.143 345 V CB -1.131 30.708 31.823 0.027 0.000 0.726 345 V HN 0.871 nan 8.190 nan 0.000 0.507 346 T N -4.405 110.154 114.554 0.008 0.000 3.091 346 T HA 0.257 4.611 4.350 0.007 0.000 0.277 346 T C 0.070 174.767 174.700 -0.006 0.000 0.996 346 T CA -0.301 61.802 62.100 0.005 0.000 0.897 346 T CB -0.144 68.726 68.868 0.003 0.000 1.109 346 T HN 0.397 nan 8.240 nan 0.000 0.534 347 D N 1.763 122.159 120.400 -0.006 0.000 2.350 347 D HA 0.409 5.053 4.640 0.007 0.000 0.249 347 D C 0.103 176.405 176.300 0.003 0.000 1.119 347 D CA -0.286 53.707 54.000 -0.011 0.000 0.886 347 D CB 1.096 41.890 40.800 -0.010 0.000 1.195 347 D HN 0.423 nan 8.370 nan 0.000 0.437 348 I N 1.917 122.494 120.570 0.011 0.000 2.488 348 I HA 0.254 4.428 4.170 0.007 0.000 0.299 348 I C 1.272 177.409 176.117 0.033 0.000 0.984 348 I CA -0.786 60.539 61.300 0.042 0.000 1.250 348 I CB 1.113 39.175 38.000 0.103 0.000 1.389 348 I HN 0.037 nan 8.210 nan 0.000 0.488 349 R N 2.005 122.522 120.500 0.028 0.000 2.726 349 R HA 0.194 4.537 4.340 0.007 0.000 0.272 349 R C -0.222 176.079 176.300 0.002 0.000 1.097 349 R CA -0.368 55.736 56.100 0.008 0.000 1.198 349 R CB 0.233 30.531 30.300 -0.003 0.000 1.114 349 R HN 0.518 nan 8.270 nan 0.000 0.550 350 T N 2.822 117.367 114.554 -0.016 0.000 2.792 350 T HA 0.051 4.405 4.350 0.007 0.000 0.286 350 T C 0.246 174.903 174.700 -0.072 0.000 0.970 350 T CA 0.315 62.399 62.100 -0.027 0.000 1.187 350 T CB -0.164 68.685 68.868 -0.033 0.000 0.915 350 T HN 0.189 nan 8.240 nan 0.000 0.529 351 L N 2.605 123.791 121.223 -0.061 0.000 2.360 351 L HA 0.736 5.080 4.340 0.007 0.000 0.271 351 L C 0.305 177.089 176.870 -0.143 0.000 1.057 351 L CA -0.804 53.952 54.840 -0.140 0.000 0.803 351 L CB 1.217 43.246 42.059 -0.049 0.000 1.207 351 L HN 0.691 nan 8.230 nan 0.000 0.445 352 A N 2.001 124.679 122.820 -0.238 0.000 2.456 352 A HA 0.820 5.144 4.320 0.007 0.000 0.288 352 A C -1.092 176.413 177.584 -0.132 0.000 1.042 352 A CA -0.310 51.639 52.037 -0.147 0.000 0.738 352 A CB 1.439 20.359 19.000 -0.134 0.000 1.266 352 A HN 0.729 nan 8.150 nan 0.000 0.407 353 A N 1.786 124.601 122.820 -0.009 0.000 2.380 353 A HA 0.981 5.305 4.320 0.007 0.000 0.315 353 A C -0.454 177.160 177.584 0.051 0.000 1.101 353 A CA -0.327 51.764 52.037 0.091 0.000 0.771 353 A CB 1.462 20.549 19.000 0.144 0.000 1.287 353 A HN 1.154 nan 8.150 nan 0.000 0.436 354 E N 0.350 120.590 120.200 0.066 0.000 2.431 354 E HA 0.471 4.825 4.350 0.007 0.000 0.287 354 E C -1.637 174.989 176.600 0.044 0.000 1.032 354 E CA -0.633 55.791 56.400 0.040 0.000 0.839 354 E CB 1.817 31.532 29.700 0.025 0.000 1.218 354 E HN 1.043 nan 8.360 nan 0.000 0.424 355 V N -0.034 119.898 119.914 0.031 0.000 3.166 355 V HA 0.645 4.769 4.120 0.007 0.000 0.317 355 V C -0.127 175.982 176.094 0.025 0.000 1.136 355 V CA -0.602 61.716 62.300 0.029 0.000 1.035 355 V CB 1.660 33.496 31.823 0.021 0.000 1.110 355 V HN 0.888 nan 8.190 nan 0.000 0.450 356 E N -0.330 119.886 120.200 0.026 0.000 2.246 356 E HA -0.238 4.116 4.350 0.007 0.000 0.211 356 E C 0.726 177.340 176.600 0.022 0.000 1.278 356 E CA 0.899 57.314 56.400 0.024 0.000 0.694 356 E CB -1.444 28.268 29.700 0.019 0.000 1.166 356 E HN 1.220 nan 8.360 nan 0.000 0.370 357 A N -0.035 122.800 122.820 0.025 0.000 2.115 357 A HA 0.193 4.517 4.320 0.007 0.000 0.211 357 A C 0.837 178.432 177.584 0.017 0.000 1.169 357 A CA 0.420 52.470 52.037 0.022 0.000 0.787 357 A CB 0.667 19.684 19.000 0.028 0.000 0.858 357 A HN 0.220 nan 8.150 nan 0.000 0.474 358 I N 0.155 120.737 120.570 0.019 0.000 2.608 358 I HA 0.419 4.592 4.170 0.007 0.000 0.295 358 I C -2.794 173.332 176.117 0.016 0.000 1.049 358 I CA -2.812 58.496 61.300 0.015 0.000 1.063 358 I CB 1.215 39.224 38.000 0.013 0.000 1.248 358 I HN -0.089 nan 8.210 nan 0.000 0.424 359 P HA 0.455 nan 4.420 nan 0.000 0.274 359 P C 0.307 177.618 177.300 0.019 0.000 1.246 359 P CA -0.192 62.917 63.100 0.016 0.000 0.795 359 P CB 0.667 32.373 31.700 0.010 0.000 1.006 360 R N -1.820 118.698 120.500 0.029 0.000 3.154 360 R HA -0.223 4.121 4.340 0.007 0.000 0.235 360 R C 0.572 176.907 176.300 0.058 0.000 0.808 360 R CA 1.793 57.918 56.100 0.041 0.000 1.801 360 R CB -2.906 27.409 30.300 0.026 0.000 1.411 360 R HN 0.520 nan 8.270 nan 0.000 0.589 361 V N 0.061 119.989 119.914 0.024 0.000 2.953 361 V HA -0.136 3.988 4.120 0.007 0.000 0.304 361 V C 1.621 177.774 176.094 0.099 0.000 1.138 361 V CA 0.881 63.178 62.300 -0.006 0.000 1.266 361 V CB 0.513 32.326 31.823 -0.017 0.000 0.923 361 V HN 0.330 nan 8.190 nan 0.000 0.505 362 H N 3.267 122.353 119.070 0.027 0.000 2.390 362 H HA 0.179 4.739 4.556 0.007 0.000 0.298 362 H C 1.161 176.503 175.328 0.023 0.000 1.106 362 H CA 0.708 56.772 56.048 0.026 0.000 1.297 362 H CB 0.240 30.021 29.762 0.031 0.000 1.375 362 H HN 0.968 nan 8.280 nan 0.000 0.509 363 G N -0.725 108.161 108.800 0.143 0.000 2.702 363 G HA2 0.437 4.401 3.960 0.007 0.000 0.296 363 G HA3 0.437 4.401 3.960 0.007 0.000 0.296 363 G C -1.416 173.522 174.900 0.063 0.000 1.463 363 G CA -0.151 45.001 45.100 0.087 0.000 0.890 363 G HN 0.293 nan 8.290 nan 0.000 0.534 364 S N -0.888 114.842 115.700 0.050 0.000 2.588 364 S HA 0.982 5.456 4.470 0.007 0.000 0.269 364 S C -0.669 173.959 174.600 0.046 0.000 1.157 364 S CA -0.054 58.174 58.200 0.047 0.000 0.824 364 S CB 1.726 64.950 63.200 0.040 0.000 1.126 364 S HN 2.554 nan 8.310 nan 0.000 0.464 365 A N 0.447 123.300 122.820 0.055 0.000 2.604 365 A HA 0.800 5.124 4.320 0.007 0.000 0.295 365 A C -2.068 175.567 177.584 0.085 0.000 1.067 365 A CA -0.643 51.432 52.037 0.064 0.000 0.683 365 A CB 1.556 20.593 19.000 0.062 0.000 1.281 365 A HN 1.460 nan 8.150 nan 0.000 0.407 366 L N 1.240 122.519 121.223 0.094 0.000 2.356 366 L HA 0.852 5.196 4.340 0.007 0.000 0.277 366 L C -1.587 175.380 176.870 0.160 0.000 0.996 366 L CA -0.521 54.380 54.840 0.103 0.000 0.822 366 L CB 1.305 43.396 42.059 0.053 0.000 1.256 366 L HN 0.680 nan 8.230 nan 0.000 0.413 367 F N 4.401 124.361 119.950 0.017 0.000 2.507 367 F HA 0.592 5.123 4.527 0.006 0.000 0.328 367 F C -0.567 175.242 175.800 0.016 0.000 1.136 367 F CA -0.266 57.742 58.000 0.013 0.000 0.930 367 F CB 1.323 40.332 39.000 0.015 0.000 1.166 367 F HN 0.626 nan 8.300 nan 0.000 0.436 368 E N 5.580 125.351 120.200 -0.716 0.000 2.238 368 E HA 0.482 4.836 4.350 0.007 0.000 0.267 368 E C -1.355 174.793 176.600 -0.754 0.000 0.887 368 E CA -1.009 55.069 56.400 -0.537 0.000 0.769 368 E CB 1.601 31.150 29.700 -0.252 0.000 1.187 368 E HN 0.744 nan 8.360 nan 0.000 0.416 369 R N 3.674 123.909 120.500 -0.442 0.000 2.713 369 R HA 0.371 4.715 4.340 0.007 0.000 0.282 369 R C 0.059 176.292 176.300 -0.111 0.000 1.472 369 R CA 0.563 56.499 56.100 -0.272 0.000 1.060 369 R CB 0.522 30.730 30.300 -0.153 0.000 1.237 369 R HN 0.826 nan 8.270 nan 0.000 0.484 370 G N 3.098 111.845 108.800 -0.089 0.000 2.550 370 G HA2 -0.360 3.604 3.960 0.007 0.000 0.277 370 G HA3 -0.360 3.604 3.960 0.007 0.000 0.277 370 G C 0.370 175.244 174.900 -0.043 0.000 1.190 370 G CA 0.370 45.443 45.100 -0.045 0.000 0.971 370 G HN 0.663 nan 8.290 nan 0.000 0.559 371 E N 0.663 120.852 120.200 -0.018 0.000 2.502 371 E HA 0.165 4.519 4.350 0.007 0.000 0.194 371 E C 0.521 177.121 176.600 -0.000 0.000 1.062 371 E CA 0.539 56.934 56.400 -0.009 0.000 0.867 371 E CB 0.085 29.788 29.700 0.004 0.000 0.888 371 E HN 0.321 nan 8.360 nan 0.000 0.510 372 T N 1.553 116.108 114.554 0.002 0.000 2.749 372 T HA 0.133 4.487 4.350 0.007 0.000 0.295 372 T C -0.330 174.376 174.700 0.010 0.000 0.936 372 T CA -0.001 62.121 62.100 0.037 0.000 1.060 372 T CB 0.879 69.793 68.868 0.076 0.000 0.904 372 T HN 0.039 nan 8.240 nan 0.000 0.500 373 Q N 4.229 124.050 119.800 0.035 0.000 2.290 373 Q HA 0.448 4.792 4.340 0.007 0.000 0.269 373 Q C -1.514 174.535 176.000 0.082 0.000 1.016 373 Q CA -0.776 55.044 55.803 0.027 0.000 0.754 373 Q CB 0.752 29.490 28.738 0.001 0.000 1.247 373 Q HN 0.439 nan 8.270 nan 0.000 0.451 374 I N 4.433 125.092 120.570 0.148 0.000 2.433 374 I HA 0.359 4.533 4.170 0.007 0.000 0.292 374 I C -0.660 175.543 176.117 0.144 0.000 1.001 374 I CA -0.913 60.487 61.300 0.167 0.000 1.119 374 I CB 1.405 39.554 38.000 0.248 0.000 1.289 374 I HN 0.629 nan 8.210 nan 0.000 0.438 375 L N 5.753 127.036 121.223 0.100 0.000 2.287 375 L HA 0.824 5.168 4.340 0.007 0.000 0.287 375 L C 0.042 176.967 176.870 0.092 0.000 1.022 375 L CA 0.182 55.073 54.840 0.084 0.000 0.814 375 L CB 1.493 43.584 42.059 0.053 0.000 1.217 375 L HN 0.675 nan 8.230 nan 0.000 0.420 376 G N 4.509 113.366 108.800 0.096 0.000 2.415 376 G HA2 0.634 4.598 3.960 0.007 0.000 0.327 376 G HA3 0.634 4.598 3.960 0.007 0.000 0.327 376 G C -1.628 173.319 174.900 0.077 0.000 1.182 376 G CA -0.468 44.693 45.100 0.101 0.000 0.924 376 G HN 0.521 nan 8.290 nan 0.000 0.470 377 V N 1.303 121.262 119.914 0.074 0.000 2.638 377 V HA 0.573 4.697 4.120 0.007 0.000 0.306 377 V C -0.032 176.099 176.094 0.061 0.000 1.052 377 V CA -0.686 61.646 62.300 0.052 0.000 0.885 377 V CB 2.112 33.951 31.823 0.026 0.000 0.999 377 V HN 0.788 nan 8.190 nan 0.000 0.424 378 T N 2.870 117.462 114.554 0.063 0.000 2.824 378 T HA 0.620 4.973 4.350 0.007 0.000 0.280 378 T C -0.235 174.504 174.700 0.066 0.000 0.995 378 T CA -0.372 61.782 62.100 0.089 0.000 1.009 378 T CB 1.488 70.426 68.868 0.116 0.000 0.955 378 T HN 0.720 nan 8.240 nan 0.000 0.452 379 T N 3.611 118.213 114.554 0.079 0.000 2.879 379 T HA 0.546 4.900 4.350 0.007 0.000 0.290 379 T C -0.677 174.169 174.700 0.244 0.000 0.993 379 T CA -0.631 61.495 62.100 0.043 0.000 0.975 379 T CB 0.671 69.497 68.868 -0.070 0.000 0.981 379 T HN 0.339 nan 8.240 nan 0.000 0.439 380 L N 3.802 125.350 121.223 0.542 0.000 2.322 380 L HA 0.617 4.961 4.340 0.007 0.000 0.281 380 L C 0.222 177.289 176.870 0.329 0.000 1.014 380 L CA -0.717 54.324 54.840 0.336 0.000 0.815 380 L CB 1.416 43.548 42.059 0.121 0.000 1.247 380 L HN 0.597 nan 8.230 nan 0.000 0.421 381 N N 1.759 120.614 118.700 0.260 0.000 2.697 381 N HA 0.536 5.280 4.740 0.007 0.000 0.272 381 N C -0.875 174.711 175.510 0.126 0.000 1.381 381 N CA -1.064 52.098 53.050 0.186 0.000 0.797 381 N CB 1.851 40.413 38.487 0.126 0.000 1.523 381 N HN 0.368 nan 8.380 nan 0.000 0.518 382 M N 1.389 121.013 119.600 0.039 0.000 2.240 382 M HA 0.020 4.504 4.480 0.007 0.000 0.317 382 M C 1.353 177.641 176.300 -0.020 0.000 1.087 382 M CA 0.478 55.750 55.300 -0.046 0.000 1.176 382 M CB 0.079 32.651 32.600 -0.046 0.000 1.439 382 M HN 0.579 nan 8.290 nan 0.000 0.452 383 L N 1.311 122.500 121.223 -0.057 0.000 2.265 383 L HA -0.205 4.139 4.340 0.007 0.000 0.215 383 L C 2.422 179.290 176.870 -0.002 0.000 1.117 383 L CA 1.098 55.928 54.840 -0.017 0.000 0.782 383 L CB -0.623 41.414 42.059 -0.036 0.000 0.914 383 L HN 0.683 nan 8.230 nan 0.000 0.441 384 R N -0.707 119.786 120.500 -0.012 0.000 2.241 384 R HA -0.132 4.212 4.340 0.007 0.000 0.224 384 R C 1.538 177.842 176.300 0.007 0.000 1.101 384 R CA 0.929 57.026 56.100 -0.005 0.000 0.995 384 R CB -0.327 29.966 30.300 -0.011 0.000 0.870 384 R HN 0.273 nan 8.270 nan 0.000 0.463 385 M N 2.110 121.720 119.600 0.017 0.000 2.495 385 M HA 0.063 4.547 4.480 0.007 0.000 0.237 385 M C 0.196 176.514 176.300 0.031 0.000 1.131 385 M CA 0.046 55.361 55.300 0.025 0.000 1.032 385 M CB -0.354 32.268 32.600 0.037 0.000 1.513 385 M HN 0.292 nan 8.290 nan 0.000 0.488 386 E N 1.281 121.501 120.200 0.034 0.000 2.398 386 E HA 0.040 4.394 4.350 0.007 0.000 0.263 386 E C -0.181 176.435 176.600 0.027 0.000 1.046 386 E CA -0.232 56.192 56.400 0.040 0.000 0.908 386 E CB 0.876 30.604 29.700 0.046 0.000 0.963 386 E HN 0.281 nan 8.360 nan 0.000 0.431 387 Q N 1.700 121.515 119.800 0.025 0.000 2.364 387 Q HA -0.037 4.307 4.340 0.007 0.000 0.267 387 Q C -0.636 175.374 176.000 0.017 0.000 0.999 387 Q CA 0.019 55.833 55.803 0.017 0.000 0.886 387 Q CB 0.779 29.525 28.738 0.013 0.000 1.243 387 Q HN 0.481 nan 8.270 nan 0.000 0.415 388 Q N 3.299 123.107 119.800 0.014 0.000 2.307 388 Q HA 0.392 4.736 4.340 0.007 0.000 0.262 388 Q C -1.263 174.745 176.000 0.014 0.000 0.961 388 Q CA -0.571 55.240 55.803 0.013 0.000 0.882 388 Q CB 1.383 30.127 28.738 0.011 0.000 1.264 388 Q HN 0.497 nan 8.270 nan 0.000 0.446 389 L N 1.933 123.164 121.223 0.014 0.000 2.346 389 L HA 0.436 4.780 4.340 0.007 0.000 0.274 389 L C -0.159 176.720 176.870 0.015 0.000 1.007 389 L CA -0.443 54.407 54.840 0.016 0.000 0.818 389 L CB 1.583 43.651 42.059 0.015 0.000 1.284 389 L HN 0.401 nan 8.230 nan 0.000 0.424 390 D N 0.815 121.227 120.400 0.019 0.000 2.468 390 D HA 0.405 5.049 4.640 0.007 0.000 0.272 390 D C -0.431 175.883 176.300 0.023 0.000 1.221 390 D CA -0.116 53.896 54.000 0.019 0.000 0.860 390 D CB 0.739 41.551 40.800 0.021 0.000 1.190 390 D HN 0.677 nan 8.370 nan 0.000 0.509 391 T N -1.783 112.787 114.554 0.026 0.000 2.633 391 T HA 0.378 4.732 4.350 0.007 0.000 0.262 391 T C 1.318 176.046 174.700 0.047 0.000 0.920 391 T CA -0.726 61.396 62.100 0.037 0.000 1.062 391 T CB 0.360 69.258 68.868 0.050 0.000 1.390 391 T HN 0.071 nan 8.240 nan 0.000 0.549 392 L N 0.889 122.163 121.223 0.085 0.000 2.552 392 L HA 0.197 4.541 4.340 0.007 0.000 0.227 392 L C 1.542 178.489 176.870 0.127 0.000 1.146 392 L CA 0.123 55.032 54.840 0.115 0.000 0.858 392 L CB -0.091 42.073 42.059 0.176 0.000 0.969 392 L HN 0.693 nan 8.230 nan 0.000 0.451 393 S N 0.357 116.110 115.700 0.088 0.000 2.580 393 S HA 0.194 4.668 4.470 0.007 0.000 0.274 393 S C -1.150 173.431 174.600 -0.031 0.000 1.329 393 S CA -1.267 56.952 58.200 0.032 0.000 1.036 393 S CB 0.983 64.191 63.200 0.013 0.000 0.919 393 S HN 0.009 nan 8.310 nan 0.000 0.515 394 P HA 0.046 nan 4.420 nan 0.000 0.233 394 P C 0.074 177.310 177.300 -0.105 0.000 1.167 394 P CA 0.235 63.244 63.100 -0.151 0.000 0.770 394 P CB -0.152 31.357 31.700 -0.319 0.000 0.837 395 V N 1.931 121.791 119.914 -0.091 0.000 2.585 395 V HA 0.036 4.160 4.120 0.007 0.000 0.296 395 V C 1.877 177.958 176.094 -0.021 0.000 1.035 395 V CA 1.363 63.636 62.300 -0.047 0.000 1.084 395 V CB 0.429 32.237 31.823 -0.026 0.000 0.953 395 V HN 0.255 nan 8.190 nan 0.000 0.483 396 T N 1.450 115.997 114.554 -0.012 0.000 2.975 396 T HA 0.239 4.593 4.350 0.007 0.000 0.261 396 T C 0.417 175.121 174.700 0.007 0.000 0.984 396 T CA -0.338 61.761 62.100 -0.002 0.000 0.911 396 T CB 0.209 69.075 68.868 -0.003 0.000 1.127 396 T HN 0.737 nan 8.240 nan 0.000 0.514 397 R N -0.058 120.448 120.500 0.010 0.000 2.668 397 R HA 0.693 5.037 4.340 0.007 0.000 0.272 397 R C -1.818 174.500 176.300 0.030 0.000 1.019 397 R CA -1.024 55.088 56.100 0.019 0.000 0.894 397 R CB 1.688 32.000 30.300 0.019 0.000 1.228 397 R HN 0.023 nan 8.270 nan 0.000 0.460 398 K N 2.235 122.658 120.400 0.038 0.000 2.535 398 K HA 0.276 4.600 4.320 0.007 0.000 0.253 398 K C 0.240 176.885 176.600 0.075 0.000 0.953 398 K CA -0.639 55.681 56.287 0.055 0.000 0.863 398 K CB 1.662 34.188 32.500 0.043 0.000 1.111 398 K HN 0.752 nan 8.250 nan 0.000 0.431 399 R N 2.437 123.002 120.500 0.108 0.000 2.093 399 R HA -0.034 4.310 4.340 0.007 0.000 0.224 399 R C -0.213 176.212 176.300 0.209 0.000 1.101 399 R CA 1.016 57.202 56.100 0.144 0.000 0.979 399 R CB 0.150 30.541 30.300 0.152 0.000 0.877 399 R HN 0.514 nan 8.270 nan 0.000 0.441 400 Y N 0.831 121.179 120.300 0.081 0.000 2.331 400 Y HA 0.399 4.953 4.550 0.007 0.000 0.338 400 Y C -1.113 174.838 175.900 0.085 0.000 0.976 400 Y CA -0.828 57.324 58.100 0.086 0.000 1.137 400 Y CB 0.921 39.423 38.460 0.070 0.000 1.172 400 Y HN -0.118 nan 8.280 nan 0.000 0.478 401 M N 6.645 125.997 119.600 -0.413 0.000 2.243 401 M HA 0.308 4.792 4.480 0.007 0.000 0.324 401 M C -1.239 174.819 176.300 -0.404 0.000 1.031 401 M CA -0.399 54.718 55.300 -0.304 0.000 0.949 401 M CB 1.735 34.264 32.600 -0.119 0.000 1.615 401 M HN 0.675 nan 8.290 nan 0.000 0.430 402 H N 3.136 121.985 119.070 -0.369 0.000 2.495 402 H HA 0.526 5.086 4.556 0.007 0.000 0.348 402 H C -1.498 173.789 175.328 -0.068 0.000 1.113 402 H CA -0.619 55.291 56.048 -0.231 0.000 1.195 402 H CB 1.362 31.041 29.762 -0.139 0.000 1.521 402 H HN 0.802 nan 8.280 nan 0.000 0.509 403 N N 3.816 122.280 118.700 -0.393 0.000 2.296 403 N HA 0.110 4.854 4.740 0.007 0.000 0.294 403 N C -1.846 173.440 175.510 -0.375 0.000 1.033 403 N CA -0.642 52.226 53.050 -0.304 0.000 0.839 403 N CB 2.286 40.696 38.487 -0.128 0.000 1.395 403 N HN 0.428 nan 8.380 nan 0.000 0.479 404 Y N 2.538 122.614 120.300 -0.374 0.000 2.328 404 Y HA 0.415 4.969 4.550 0.006 0.000 0.333 404 Y C -1.317 174.556 175.900 -0.044 0.000 0.958 404 Y CA -0.788 57.195 58.100 -0.195 0.000 1.167 404 Y CB 0.689 39.072 38.460 -0.128 0.000 1.151 404 Y HN 0.456 nan 8.280 nan 0.000 0.470 405 N N 6.351 124.797 118.700 -0.422 0.000 2.399 405 N HA 0.265 5.009 4.740 0.007 0.000 0.295 405 N C -1.864 173.361 175.510 -0.475 0.000 1.048 405 N CA -0.389 52.461 53.050 -0.334 0.000 0.886 405 N CB 1.784 40.160 38.487 -0.184 0.000 1.185 405 N HN 0.713 nan 8.380 nan 0.000 0.487 406 F N 3.927 123.606 119.950 -0.452 0.000 2.564 406 F HA 0.356 4.887 4.527 0.006 0.000 0.361 406 F C -2.207 173.417 175.800 -0.293 0.000 1.161 406 F CA -1.806 55.969 58.000 -0.375 0.000 1.198 406 F CB 0.974 39.854 39.000 -0.201 0.000 1.424 406 F HN 0.284 nan 8.300 nan 0.000 0.517 407 P HA 0.220 nan 4.420 nan 0.000 0.272 407 P C -2.483 174.374 177.300 -0.738 0.000 1.230 407 P CA -1.175 61.559 63.100 -0.610 0.000 0.788 407 P CB 1.007 32.187 31.700 -0.866 0.000 0.949 408 P HA -0.166 nan 4.420 nan 0.000 0.215 408 P C 1.402 178.531 177.300 -0.285 0.000 1.153 408 P CA 1.609 64.563 63.100 -0.243 0.000 0.853 408 P CB -0.665 30.998 31.700 -0.060 0.000 0.788 409 Y N -1.814 118.401 120.300 -0.141 0.000 2.639 409 Y HA 0.105 4.658 4.550 0.006 0.000 0.297 409 Y C 2.161 177.956 175.900 -0.175 0.000 1.151 409 Y CA 0.505 58.530 58.100 -0.124 0.000 1.335 409 Y CB -1.706 36.696 38.460 -0.097 0.000 0.994 409 Y HN -0.130 nan 8.280 nan 0.000 0.548 410 S N 0.911 116.191 115.700 -0.701 0.000 2.419 410 S HA -0.148 4.326 4.470 0.007 0.000 0.235 410 S C 1.361 175.779 174.600 -0.304 0.000 1.019 410 S CA 1.556 59.404 58.200 -0.586 0.000 0.982 410 S CB -0.683 61.841 63.200 -1.128 0.000 0.789 410 S HN 0.610 nan 8.310 nan 0.000 0.490 411 V N -2.918 116.861 119.914 -0.225 0.000 2.991 411 V HA 0.691 4.815 4.120 0.007 0.000 0.355 411 V C 0.938 177.023 176.094 -0.015 0.000 1.384 411 V CA 0.019 62.279 62.300 -0.067 0.000 1.171 411 V CB -0.505 31.321 31.823 0.005 0.000 1.190 411 V HN 0.457 nan 8.190 nan 0.000 0.540 412 G N 0.356 109.158 108.800 0.003 0.000 2.179 412 G HA2 -0.250 3.713 3.960 0.007 0.000 0.257 412 G HA3 -0.250 3.713 3.960 0.007 0.000 0.257 412 G C -0.059 174.861 174.900 0.033 0.000 1.010 412 G CA 0.839 45.959 45.100 0.033 0.000 0.736 412 G HN 0.719 nan 8.290 nan 0.000 0.513 413 E N -0.363 119.850 120.200 0.023 0.000 2.264 413 E HA 0.672 5.026 4.350 0.007 0.000 0.260 413 E C 0.446 177.068 176.600 0.036 0.000 0.961 413 E CA -0.234 56.181 56.400 0.026 0.000 0.834 413 E CB 1.294 31.006 29.700 0.020 0.000 1.230 413 E HN 0.327 nan 8.360 nan 0.000 0.412 414 T N -1.609 112.965 114.554 0.033 0.000 2.925 414 T HA 0.840 5.194 4.350 0.007 0.000 0.285 414 T C 0.229 174.945 174.700 0.027 0.000 1.021 414 T CA -0.466 61.656 62.100 0.037 0.000 1.042 414 T CB 1.685 70.571 68.868 0.030 0.000 1.037 414 T HN 0.676 nan 8.240 nan 0.000 0.481 415 G N 0.508 109.324 108.800 0.027 0.000 2.313 415 G HA2 0.387 4.351 3.960 0.007 0.000 0.296 415 G HA3 0.387 4.351 3.960 0.007 0.000 0.296 415 G C -1.359 173.552 174.900 0.018 0.000 1.356 415 G CA -1.287 43.826 45.100 0.021 0.000 0.833 415 G HN 0.850 nan 8.290 nan 0.000 0.552 416 R N -0.455 120.054 120.500 0.015 0.000 2.570 416 R HA 0.429 4.773 4.340 0.007 0.000 0.277 416 R C -0.853 175.453 176.300 0.010 0.000 1.039 416 R CA -0.019 56.089 56.100 0.012 0.000 1.065 416 R CB 0.501 30.807 30.300 0.010 0.000 0.964 416 R HN 0.299 nan 8.270 nan 0.000 0.428 417 V N 5.426 125.346 119.914 0.011 0.000 2.349 417 V HA 0.607 4.731 4.120 0.007 0.000 0.284 417 V C 0.562 176.659 176.094 0.005 0.000 1.014 417 V CA 0.436 62.741 62.300 0.008 0.000 0.826 417 V CB 0.993 32.829 31.823 0.022 0.000 1.009 417 V HN 1.117 nan 8.190 nan 0.000 0.431 418 G N 3.292 112.093 108.800 0.001 0.000 2.623 418 G HA2 0.192 4.156 3.960 0.007 0.000 0.085 418 G HA3 0.192 4.156 3.960 0.007 0.000 0.085 418 G C -0.238 174.661 174.900 -0.002 0.000 1.116 418 G CA -0.142 44.958 45.100 0.000 0.000 1.200 418 G HN 0.456 nan 8.290 nan 0.000 0.556 419 S N 3.116 118.815 115.700 -0.001 0.000 2.558 419 S HA 0.359 4.833 4.470 0.007 0.000 0.293 419 S C -1.941 172.659 174.600 0.000 0.000 1.292 419 S CA -0.098 58.101 58.200 -0.002 0.000 1.063 419 S CB 0.687 63.885 63.200 -0.003 0.000 0.831 419 S HN 0.538 nan 8.310 nan 0.000 0.499 420 P HA 0.210 nan 4.420 nan 0.000 0.276 420 P C -0.288 177.013 177.300 0.001 0.000 1.235 420 P CA -0.356 62.750 63.100 0.010 0.000 0.772 420 P CB 0.641 32.348 31.700 0.012 0.000 0.871 421 K N 1.898 122.300 120.400 0.004 0.000 2.143 421 K HA 0.098 4.422 4.320 0.007 0.000 0.239 421 K C 1.807 178.378 176.600 -0.048 0.000 1.048 421 K CA -0.276 55.996 56.287 -0.025 0.000 0.867 421 K CB 0.477 32.958 32.500 -0.033 0.000 1.088 421 K HN 0.334 nan 8.250 nan 0.000 0.510 422 R N 0.594 121.048 120.500 -0.076 0.000 2.189 422 R HA -0.045 4.299 4.340 0.007 0.000 0.218 422 R C 1.884 178.089 176.300 -0.159 0.000 1.074 422 R CA 0.842 56.884 56.100 -0.096 0.000 0.991 422 R CB 0.103 30.348 30.300 -0.092 0.000 0.883 422 R HN 0.320 nan 8.270 nan 0.000 0.457 423 R N 0.699 121.080 120.500 -0.198 0.000 2.127 423 R HA -0.016 4.328 4.340 0.007 0.000 0.217 423 R C 1.713 177.792 176.300 -0.370 0.000 1.074 423 R CA 0.903 56.769 56.100 -0.390 0.000 0.991 423 R CB -0.245 29.843 30.300 -0.353 0.000 0.895 423 R HN 0.365 nan 8.270 nan 0.000 0.450 424 E N 0.457 120.613 120.200 -0.074 0.000 2.150 424 E HA -0.069 4.285 4.350 0.007 0.000 0.193 424 E C 1.745 178.375 176.600 0.051 0.000 0.985 424 E CA 0.610 57.116 56.400 0.176 0.000 0.814 424 E CB 0.089 29.908 29.700 0.198 0.000 0.752 424 E HN 0.133 nan 8.360 nan 0.000 0.466 425 I N 0.209 120.747 120.570 -0.053 0.000 2.333 425 I HA -0.077 4.097 4.170 0.007 0.000 0.246 425 I C 2.470 178.522 176.117 -0.108 0.000 1.106 425 I CA 1.044 62.309 61.300 -0.059 0.000 1.411 425 I CB -1.426 36.543 38.000 -0.053 0.000 1.082 425 I HN 0.089 nan 8.210 nan 0.000 0.420 426 G N 0.617 109.297 108.800 -0.201 0.000 2.421 426 G HA2 -0.232 3.732 3.960 0.007 0.000 0.216 426 G HA3 -0.232 3.732 3.960 0.007 0.000 0.216 426 G C 1.535 176.303 174.900 -0.220 0.000 1.171 426 G CA 0.592 45.552 45.100 -0.233 0.000 0.775 426 G HN 0.358 nan 8.290 nan 0.000 0.543 427 H N 0.701 119.621 119.070 -0.249 0.000 2.357 427 H HA -0.024 4.536 4.556 0.006 0.000 0.301 427 H C 2.889 178.037 175.328 -0.300 0.000 1.082 427 H CA 1.041 56.856 56.048 -0.388 0.000 1.342 427 H CB -0.964 28.304 29.762 -0.823 0.000 1.389 427 H HN 0.347 nan 8.280 nan 0.000 0.511 428 G N 0.636 109.347 108.800 -0.147 0.000 2.442 428 G HA2 -0.242 3.722 3.960 0.007 0.000 0.219 428 G HA3 -0.242 3.722 3.960 0.007 0.000 0.219 428 G C 1.996 177.006 174.900 0.184 0.000 1.141 428 G CA 1.385 46.499 45.100 0.024 0.000 0.763 428 G HN 0.538 nan 8.290 nan 0.000 0.554 429 A N 0.360 123.216 122.820 0.061 0.000 1.873 429 A HA 0.093 4.417 4.320 0.007 0.000 0.215 429 A C 2.364 179.989 177.584 0.068 0.000 1.186 429 A CA 1.642 53.717 52.037 0.064 0.000 0.616 429 A CB -0.518 18.487 19.000 0.008 0.000 0.823 429 A HN 0.409 nan 8.150 nan 0.000 0.442 430 L N -0.084 121.162 121.223 0.039 0.000 1.989 430 L HA -0.128 4.216 4.340 0.007 0.000 0.211 430 L C 2.699 179.588 176.870 0.031 0.000 1.071 430 L CA 2.392 57.248 54.840 0.027 0.000 0.749 430 L CB -0.703 41.369 42.059 0.022 0.000 0.890 430 L HN 0.347 nan 8.230 nan 0.000 0.431 431 A N -1.417 121.432 122.820 0.047 0.000 2.019 431 A HA -0.227 4.097 4.320 0.007 0.000 0.219 431 A C 2.300 179.858 177.584 -0.042 0.000 1.164 431 A CA 1.659 53.688 52.037 -0.013 0.000 0.644 431 A CB -0.621 18.380 19.000 0.003 0.000 0.805 431 A HN 0.638 nan 8.150 nan 0.000 0.449 432 E N -0.584 119.671 120.200 0.092 0.000 2.072 432 E HA -0.142 4.212 4.350 0.007 0.000 0.190 432 E C 2.041 178.729 176.600 0.146 0.000 0.982 432 E CA 0.454 56.968 56.400 0.189 0.000 0.803 432 E CB -0.030 29.816 29.700 0.244 0.000 0.755 432 E HN 0.321 nan 8.360 nan 0.000 0.453 433 R N -0.025 120.522 120.500 0.080 0.000 2.189 433 R HA 0.002 4.346 4.340 0.007 0.000 0.223 433 R C 1.952 178.257 176.300 0.008 0.000 1.092 433 R CA 0.908 57.030 56.100 0.036 0.000 0.989 433 R CB -0.393 29.913 30.300 0.009 0.000 0.876 433 R HN 0.181 nan 8.270 nan 0.000 0.457 434 A N 0.572 123.391 122.820 -0.002 0.000 2.067 434 A HA -0.010 4.314 4.320 0.007 0.000 0.217 434 A C 1.948 179.501 177.584 -0.052 0.000 1.156 434 A CA 0.722 52.748 52.037 -0.019 0.000 0.683 434 A CB -0.061 18.920 19.000 -0.033 0.000 0.808 434 A HN 0.037 nan 8.150 nan 0.000 0.455 435 I N -0.990 119.534 120.570 -0.077 0.000 2.556 435 I HA -0.060 4.114 4.170 0.007 0.000 0.251 435 I C 2.406 178.399 176.117 -0.206 0.000 1.105 435 I CA 0.701 61.900 61.300 -0.168 0.000 1.436 435 I CB -1.132 36.723 38.000 -0.242 0.000 1.139 435 I HN 0.087 nan 8.210 nan 0.000 0.438 436 V N 2.665 122.481 119.914 -0.164 0.000 2.311 436 V HA -0.244 3.879 4.120 0.007 0.000 0.256 436 V C -0.311 175.740 176.094 -0.072 0.000 1.077 436 V CA 2.438 64.662 62.300 -0.127 0.000 1.067 436 V CB -1.958 29.863 31.823 -0.002 0.000 0.659 436 V HN 0.257 nan 8.190 nan 0.000 0.451 437 P HA -0.099 nan 4.420 nan 0.000 0.221 437 P C 1.343 178.675 177.300 0.052 0.000 1.145 437 P CA 1.677 64.812 63.100 0.058 0.000 0.795 437 P CB -0.092 31.709 31.700 0.168 0.000 0.775 438 V N -5.836 114.061 119.914 -0.028 0.000 3.578 438 V HA 0.218 4.342 4.120 0.007 0.000 0.290 438 V C 0.580 176.613 176.094 -0.102 0.000 1.376 438 V CA -0.129 62.142 62.300 -0.048 0.000 1.083 438 V CB -1.003 30.766 31.823 -0.090 0.000 0.911 438 V HN -0.127 nan 8.190 nan 0.000 0.433 439 L N 2.855 123.998 121.223 -0.132 0.000 2.436 439 L HA 0.403 4.747 4.340 0.007 0.000 0.265 439 L C -1.599 175.223 176.870 -0.080 0.000 1.168 439 L CA -1.568 53.177 54.840 -0.157 0.000 0.815 439 L CB 0.732 42.675 42.059 -0.195 0.000 1.109 439 L HN 0.145 nan 8.230 nan 0.000 0.462 440 P HA 0.117 nan 4.420 nan 0.000 0.274 440 P C -0.625 176.713 177.300 0.064 0.000 1.256 440 P CA -0.436 62.658 63.100 -0.010 0.000 0.795 440 P CB 0.551 32.232 31.700 -0.031 0.000 1.038 441 T N -2.234 112.372 114.554 0.086 0.000 2.847 441 T HA 0.290 4.644 4.350 0.007 0.000 0.279 441 T C 1.471 176.254 174.700 0.138 0.000 0.984 441 T CA -0.643 61.513 62.100 0.093 0.000 0.988 441 T CB 0.746 69.653 68.868 0.065 0.000 1.040 441 T HN 0.259 nan 8.240 nan 0.000 0.528 442 R N 0.395 120.961 120.500 0.109 0.000 2.103 442 R HA -0.148 4.196 4.340 0.007 0.000 0.242 442 R C 2.309 178.659 176.300 0.084 0.000 1.142 442 R CA 1.975 58.135 56.100 0.100 0.000 0.960 442 R CB -0.383 29.953 30.300 0.060 0.000 0.858 442 R HN 0.692 nan 8.270 nan 0.000 0.439 443 E N 0.409 120.650 120.200 0.068 0.000 2.107 443 E HA -0.136 4.218 4.350 0.007 0.000 0.191 443 E C 1.704 178.354 176.600 0.083 0.000 0.982 443 E CA 1.123 57.555 56.400 0.053 0.000 0.809 443 E CB 0.038 29.762 29.700 0.039 0.000 0.756 443 E HN 0.417 nan 8.360 nan 0.000 0.459 444 E N -1.031 119.242 120.200 0.123 0.000 2.216 444 E HA -0.013 4.341 4.350 0.007 0.000 0.192 444 E C -0.266 176.514 176.600 0.300 0.000 0.988 444 E CA 0.412 56.908 56.400 0.161 0.000 0.834 444 E CB 0.233 30.013 29.700 0.133 0.000 0.772 444 E HN 0.077 nan 8.360 nan 0.000 0.479 445 F N 0.581 120.595 119.950 0.107 0.000 3.094 445 F HA 0.281 4.812 4.527 0.006 0.000 0.385 445 F C -2.648 173.297 175.800 0.241 0.000 1.231 445 F CA -2.851 55.278 58.000 0.215 0.000 1.207 445 F CB 1.696 40.792 39.000 0.160 0.000 1.703 445 F HN -0.212 nan 8.300 nan 0.000 0.610 446 P HA 0.069 nan 4.420 nan 0.000 0.261 446 P C -1.457 175.577 177.300 -0.443 0.000 1.650 446 P CA 0.742 63.695 63.100 -0.245 0.000 0.846 446 P CB -0.624 30.885 31.700 -0.319 0.000 1.758 447 Y N -0.318 119.820 120.300 -0.271 0.000 2.536 447 Y HA 0.649 5.203 4.550 0.006 0.000 0.347 447 Y C 0.515 176.421 175.900 0.010 0.000 1.000 447 Y CA -2.059 55.929 58.100 -0.187 0.000 1.051 447 Y CB 1.088 39.341 38.460 -0.344 0.000 1.259 447 Y HN -0.136 nan 8.280 nan 0.000 0.468 448 A N 2.963 125.904 122.820 0.202 0.000 2.328 448 A HA 0.717 5.041 4.320 0.007 0.000 0.284 448 A C -0.687 177.034 177.584 0.229 0.000 1.160 448 A CA -0.408 51.735 52.037 0.178 0.000 0.818 448 A CB -0.224 18.844 19.000 0.112 0.000 1.087 448 A HN 0.698 nan 8.150 nan 0.000 0.504 449 I N 2.536 123.256 120.570 0.250 0.000 2.382 449 I HA 0.391 4.565 4.170 0.007 0.000 0.286 449 I C 0.337 176.536 176.117 0.137 0.000 1.002 449 I CA -0.308 61.156 61.300 0.272 0.000 1.135 449 I CB 1.505 39.765 38.000 0.433 0.000 1.288 449 I HN 0.712 nan 8.210 nan 0.000 0.448 450 R N 5.072 125.625 120.500 0.088 0.000 2.343 450 R HA 0.450 4.794 4.340 0.007 0.000 0.320 450 R C -0.979 175.328 176.300 0.012 0.000 0.956 450 R CA -0.614 55.480 56.100 -0.009 0.000 0.836 450 R CB 1.509 31.810 30.300 0.002 0.000 1.151 450 R HN 0.527 nan 8.270 nan 0.000 0.450 451 Q N 3.224 122.999 119.800 -0.042 0.000 2.331 451 Q HA 0.384 4.728 4.340 0.007 0.000 0.267 451 Q C -1.701 174.392 176.000 0.156 0.000 1.006 451 Q CA -0.614 55.241 55.803 0.087 0.000 0.818 451 Q CB 2.186 31.003 28.738 0.133 0.000 1.276 451 Q HN 0.407 nan 8.270 nan 0.000 0.450 452 V N 3.097 123.090 119.914 0.131 0.000 2.487 452 V HA 0.568 4.692 4.120 0.007 0.000 0.298 452 V C -0.744 175.431 176.094 0.136 0.000 1.028 452 V CA -0.707 61.645 62.300 0.086 0.000 0.860 452 V CB 2.019 33.855 31.823 0.021 0.000 0.991 452 V HN 0.826 nan 8.190 nan 0.000 0.427 453 S N 4.182 119.979 115.700 0.162 0.000 2.438 453 S HA 0.445 4.919 4.470 0.007 0.000 0.316 453 S C -0.445 174.174 174.600 0.033 0.000 1.084 453 S CA -0.726 57.595 58.200 0.202 0.000 1.107 453 S CB 0.843 64.316 63.200 0.454 0.000 0.981 453 S HN 0.695 nan 8.310 nan 0.000 0.466 454 E N 2.188 122.394 120.200 0.010 0.000 2.081 454 E HA 0.307 4.661 4.350 0.007 0.000 0.276 454 E C -0.514 176.039 176.600 -0.078 0.000 0.950 454 E CA -0.518 55.839 56.400 -0.071 0.000 0.776 454 E CB 1.463 31.149 29.700 -0.024 0.000 1.094 454 E HN 0.620 nan 8.360 nan 0.000 0.402 455 A N 5.264 127.965 122.820 -0.199 0.000 2.906 455 A HA 0.144 4.468 4.320 0.007 0.000 0.289 455 A C 1.218 178.673 177.584 -0.216 0.000 1.675 455 A CA -0.173 51.785 52.037 -0.132 0.000 1.372 455 A CB -0.657 18.299 19.000 -0.073 0.000 1.091 455 A HN 0.680 nan 8.150 nan 0.000 0.579 456 L N 1.416 122.588 121.223 -0.085 0.000 2.201 456 L HA 0.044 4.388 4.340 0.007 0.000 0.212 456 L C 1.396 178.237 176.870 -0.048 0.000 1.105 456 L CA 0.936 55.761 54.840 -0.025 0.000 0.775 456 L CB -0.237 41.853 42.059 0.051 0.000 0.913 456 L HN 0.672 nan 8.230 nan 0.000 0.440 457 G N -1.109 107.657 108.800 -0.057 0.000 2.701 457 G HA2 0.476 4.440 3.960 0.007 0.000 0.300 457 G HA3 0.476 4.440 3.960 0.007 0.000 0.300 457 G C -1.580 173.309 174.900 -0.019 0.000 1.410 457 G CA -0.192 44.882 45.100 -0.044 0.000 1.014 457 G HN -0.142 nan 8.290 nan 0.000 0.509 458 S N 0.371 116.067 115.700 -0.007 0.000 2.575 458 S HA 0.649 5.123 4.470 0.007 0.000 0.278 458 S C -0.206 174.456 174.600 0.103 0.000 1.139 458 S CA -0.609 57.657 58.200 0.110 0.000 0.954 458 S CB 1.705 65.082 63.200 0.295 0.000 1.054 458 S HN 0.837 nan 8.310 nan 0.000 0.483 459 N N 2.473 121.228 118.700 0.092 0.000 1.855 459 N HA 0.136 4.880 4.740 0.007 0.000 0.227 459 N C -0.488 175.041 175.510 0.031 0.000 1.470 459 N CA 0.624 53.706 53.050 0.054 0.000 0.703 459 N CB 0.515 39.022 38.487 0.032 0.000 1.030 459 N HN 0.775 nan 8.380 nan 0.000 0.600 460 G N 0.143 108.967 108.800 0.041 0.000 2.562 460 G HA2 0.407 4.371 3.960 0.007 0.000 0.298 460 G HA3 0.407 4.371 3.960 0.007 0.000 0.298 460 G C -0.821 174.093 174.900 0.024 0.000 1.499 460 G CA 0.145 45.258 45.100 0.021 0.000 1.036 460 G HN 0.567 nan 8.290 nan 0.000 0.543 461 S N 1.103 116.789 115.700 -0.023 0.000 3.755 461 S HA -0.221 4.253 4.470 0.007 0.000 0.308 461 S C 1.851 176.439 174.600 -0.020 0.000 0.816 461 S CA 1.516 59.675 58.200 -0.068 0.000 1.342 461 S CB -0.609 62.550 63.200 -0.067 0.000 1.606 461 S HN 1.739 nan 8.310 nan 0.000 0.476 462 T N 1.490 116.023 114.554 -0.035 0.000 2.985 462 T HA -0.034 4.320 4.350 0.007 0.000 0.266 462 T C 2.160 176.893 174.700 0.054 0.000 1.076 462 T CA 1.128 63.297 62.100 0.114 0.000 1.135 462 T CB -0.594 68.470 68.868 0.327 0.000 0.890 462 T HN 1.023 nan 8.240 nan 0.000 0.480 463 S N 2.191 117.767 115.700 -0.205 0.000 2.368 463 S HA -0.069 4.405 4.470 0.007 0.000 0.225 463 S C 2.144 176.701 174.600 -0.070 0.000 1.030 463 S CA 0.884 58.969 58.200 -0.191 0.000 0.999 463 S CB -0.632 62.408 63.200 -0.266 0.000 0.844 463 S HN 0.210 nan 8.310 nan 0.000 0.459 464 M N 1.788 121.344 119.600 -0.073 0.000 2.175 464 M HA 0.095 4.579 4.480 0.007 0.000 0.264 464 M C 2.541 178.787 176.300 -0.090 0.000 1.063 464 M CA 1.507 56.766 55.300 -0.067 0.000 1.119 464 M CB -2.177 30.392 32.600 -0.052 0.000 1.377 464 M HN 0.570 nan 8.290 nan 0.000 0.415 465 G N -0.945 107.861 108.800 0.009 0.000 2.432 465 G HA2 -0.186 3.778 3.960 0.007 0.000 0.219 465 G HA3 -0.186 3.778 3.960 0.007 0.000 0.219 465 G C 1.779 176.646 174.900 -0.056 0.000 1.135 465 G CA 1.248 46.378 45.100 0.050 0.000 0.767 465 G HN 0.492 nan 8.290 nan 0.000 0.550 466 S N -0.544 115.183 115.700 0.045 0.000 2.402 466 S HA -0.069 4.405 4.470 0.007 0.000 0.229 466 S C 2.488 177.059 174.600 -0.048 0.000 1.021 466 S CA 1.238 59.493 58.200 0.091 0.000 0.974 466 S CB -0.153 63.185 63.200 0.231 0.000 0.800 466 S HN 0.138 nan 8.310 nan 0.000 0.484 467 V N 1.071 120.912 119.914 -0.122 0.000 2.307 467 V HA -0.198 3.925 4.120 0.007 0.000 0.245 467 V C 2.595 178.554 176.094 -0.225 0.000 1.045 467 V CA 1.883 64.085 62.300 -0.162 0.000 1.024 467 V CB -1.034 30.700 31.823 -0.147 0.000 0.651 467 V HN 0.654 nan 8.190 nan 0.000 0.449 468 C N 0.516 119.587 119.300 -0.382 0.000 2.413 468 C HA -0.097 4.366 4.460 0.007 0.000 0.276 468 C C 3.087 177.879 174.990 -0.330 0.000 1.248 468 C CA 0.702 59.413 59.018 -0.511 0.000 1.742 468 C CB -1.480 25.548 27.740 -1.186 0.000 2.017 468 C HN 0.622 nan 8.230 nan 0.000 0.481 469 A N 0.424 123.098 122.820 -0.244 0.000 1.969 469 A HA -0.120 4.204 4.320 0.007 0.000 0.218 469 A C 2.258 179.832 177.584 -0.018 0.000 1.169 469 A CA 2.117 54.135 52.037 -0.031 0.000 0.635 469 A CB -0.619 18.429 19.000 0.080 0.000 0.810 469 A HN 0.557 nan 8.150 nan 0.000 0.445 470 S N -0.476 115.194 115.700 -0.049 0.000 2.355 470 S HA -0.119 4.355 4.470 0.007 0.000 0.222 470 S C 2.097 176.670 174.600 -0.045 0.000 1.031 470 S CA 1.715 59.898 58.200 -0.027 0.000 0.993 470 S CB -0.562 62.596 63.200 -0.069 0.000 0.859 470 S HN 0.689 nan 8.310 nan 0.000 0.453 471 T N 3.112 117.611 114.554 -0.092 0.000 2.607 471 T HA -0.150 4.204 4.350 0.007 0.000 0.267 471 T C 1.877 176.535 174.700 -0.071 0.000 1.049 471 T CA 1.687 63.727 62.100 -0.101 0.000 1.162 471 T CB -0.465 68.328 68.868 -0.125 0.000 0.863 471 T HN 0.335 nan 8.240 nan 0.000 0.424 472 M N 0.866 120.433 119.600 -0.055 0.000 2.117 472 M HA -0.100 4.384 4.480 0.007 0.000 0.262 472 M C 2.758 179.054 176.300 -0.007 0.000 1.065 472 M CA 1.357 56.642 55.300 -0.025 0.000 1.114 472 M CB -0.613 31.987 32.600 0.001 0.000 1.361 472 M HN 0.217 nan 8.290 nan 0.000 0.408 473 S N 0.946 116.651 115.700 0.009 0.000 2.356 473 S HA -0.107 4.366 4.470 0.007 0.000 0.223 473 S C 1.846 176.460 174.600 0.023 0.000 1.032 473 S CA 1.219 59.437 58.200 0.029 0.000 1.005 473 S CB -0.270 62.961 63.200 0.051 0.000 0.867 473 S HN 0.367 nan 8.310 nan 0.000 0.449 474 L N 0.958 122.185 121.223 0.007 0.000 2.017 474 L HA -0.101 4.242 4.340 0.007 0.000 0.208 474 L C 2.487 179.324 176.870 -0.055 0.000 1.073 474 L CA 1.251 56.082 54.840 -0.015 0.000 0.745 474 L CB -0.550 41.480 42.059 -0.049 0.000 0.894 474 L HN 0.344 nan 8.230 nan 0.000 0.432 475 L N -0.430 120.755 121.223 -0.064 0.000 2.046 475 L HA -0.266 4.078 4.340 0.007 0.000 0.208 475 L C 2.406 179.251 176.870 -0.041 0.000 1.077 475 L CA 1.670 56.468 54.840 -0.070 0.000 0.747 475 L CB -0.807 41.215 42.059 -0.062 0.000 0.896 475 L HN 0.467 nan 8.230 nan 0.000 0.432 476 N N 0.357 119.047 118.700 -0.017 0.000 2.205 476 N HA -0.200 4.544 4.740 0.007 0.000 0.186 476 N C 1.675 177.190 175.510 0.009 0.000 1.015 476 N CA 1.164 54.215 53.050 0.001 0.000 0.862 476 N CB 0.109 38.606 38.487 0.017 0.000 0.986 476 N HN 0.344 nan 8.380 nan 0.000 0.429 477 A N -0.242 122.586 122.820 0.012 0.000 2.169 477 A HA 0.290 4.614 4.320 0.007 0.000 0.212 477 A C 1.430 179.012 177.584 -0.004 0.000 1.153 477 A CA 0.962 53.017 52.037 0.030 0.000 0.756 477 A CB -0.184 18.859 19.000 0.072 0.000 0.813 477 A HN 0.490 nan 8.150 nan 0.000 0.471 478 G N -1.647 107.129 108.800 -0.041 0.000 2.138 478 G HA2 -0.151 3.813 3.960 0.007 0.000 0.193 478 G HA3 -0.151 3.813 3.960 0.007 0.000 0.193 478 G C 0.023 174.815 174.900 -0.180 0.000 0.998 478 G CA -0.069 44.994 45.100 -0.061 0.000 0.668 478 G HN 0.737 nan 8.290 nan 0.000 0.516 479 V N 2.655 122.396 119.914 -0.289 0.000 2.405 479 V HA 0.321 4.445 4.120 0.007 0.000 0.264 479 V C -1.058 174.743 176.094 -0.487 0.000 1.048 479 V CA -0.854 61.050 62.300 -0.660 0.000 0.966 479 V CB 1.080 32.621 31.823 -0.470 0.000 1.015 479 V HN 0.264 nan 8.190 nan 0.000 0.477 480 P HA 0.110 nan 4.420 nan 0.000 0.244 480 P C -0.011 177.150 177.300 -0.233 0.000 1.723 480 P CA -0.013 62.920 63.100 -0.278 0.000 1.110 480 P CB 0.017 31.604 31.700 -0.189 0.000 1.972 481 L N 2.736 123.831 121.223 -0.213 0.000 2.483 481 L HA 0.020 4.364 4.340 0.007 0.000 0.276 481 L C 1.879 178.681 176.870 -0.113 0.000 1.213 481 L CA -0.131 54.607 54.840 -0.170 0.000 0.843 481 L CB 0.323 42.285 42.059 -0.160 0.000 1.107 481 L HN 0.113 nan 8.230 nan 0.000 0.487 482 K N 1.877 122.226 120.400 -0.085 0.000 2.217 482 K HA 0.139 4.463 4.320 0.007 0.000 0.202 482 K C 0.331 176.902 176.600 -0.050 0.000 1.051 482 K CA 0.726 56.986 56.287 -0.045 0.000 0.952 482 K CB -0.017 32.480 32.500 -0.006 0.000 0.736 482 K HN 0.698 nan 8.250 nan 0.000 0.453 483 A N 1.231 124.004 122.820 -0.078 0.000 2.599 483 A HA 0.437 4.761 4.320 0.007 0.000 0.294 483 A C -2.901 174.609 177.584 -0.124 0.000 1.055 483 A CA -1.222 50.758 52.037 -0.096 0.000 0.683 483 A CB 1.502 20.437 19.000 -0.108 0.000 1.278 483 A HN -0.160 nan 8.150 nan 0.000 0.412 484 P HA 0.491 nan 4.420 nan 0.000 0.278 484 P C -0.727 176.482 177.300 -0.152 0.000 1.238 484 P CA -0.082 62.942 63.100 -0.126 0.000 0.794 484 P CB 1.356 32.994 31.700 -0.104 0.000 0.955 485 V N 1.988 121.809 119.914 -0.155 0.000 2.604 485 V HA 0.739 4.863 4.120 0.007 0.000 0.305 485 V C 0.242 176.240 176.094 -0.160 0.000 1.043 485 V CA -0.672 61.529 62.300 -0.164 0.000 0.888 485 V CB 1.525 33.253 31.823 -0.159 0.000 0.995 485 V HN 0.852 nan 8.190 nan 0.000 0.429 486 A N 2.729 125.460 122.820 -0.148 0.000 2.469 486 A HA 1.019 5.343 4.320 0.007 0.000 0.299 486 A C -0.139 177.372 177.584 -0.121 0.000 1.098 486 A CA -0.170 51.772 52.037 -0.158 0.000 0.737 486 A CB 2.110 21.031 19.000 -0.132 0.000 1.312 486 A HN 1.212 nan 8.150 nan 0.000 0.414 487 G N -0.731 107.991 108.800 -0.131 0.000 2.605 487 G HA2 0.680 4.643 3.960 0.007 0.000 0.296 487 G HA3 0.680 4.643 3.960 0.007 0.000 0.296 487 G C -1.727 173.143 174.900 -0.051 0.000 1.304 487 G CA -0.461 44.592 45.100 -0.078 0.000 0.941 487 G HN 1.064 nan 8.290 nan 0.000 0.475 488 I N -0.185 120.366 120.570 -0.031 0.000 2.752 488 I HA 0.716 4.890 4.170 0.007 0.000 0.295 488 I C -0.459 175.613 176.117 -0.075 0.000 1.219 488 I CA -0.756 60.527 61.300 -0.028 0.000 1.030 488 I CB 2.195 40.189 38.000 -0.010 0.000 1.259 488 I HN 0.825 nan 8.210 nan 0.000 0.423 489 A N 7.930 130.693 122.820 -0.094 0.000 2.260 489 A HA 0.843 5.167 4.320 0.007 0.000 0.314 489 A C -0.612 176.819 177.584 -0.255 0.000 1.257 489 A CA -0.566 51.374 52.037 -0.163 0.000 0.871 489 A CB 0.508 19.443 19.000 -0.109 0.000 1.166 489 A HN 0.602 nan 8.150 nan 0.000 0.522 490 M N 1.620 120.912 119.600 -0.512 0.000 2.762 490 M HA 0.700 5.184 4.480 0.007 0.000 0.306 490 M C 0.382 176.375 176.300 -0.513 0.000 1.223 490 M CA -0.396 54.512 55.300 -0.653 0.000 0.896 490 M CB 1.571 33.372 32.600 -1.331 0.000 1.684 490 M HN 0.791 nan 8.290 nan 0.000 0.491 491 G N 0.575 109.222 108.800 -0.254 0.000 2.672 491 G HA2 0.759 4.723 3.960 0.007 0.000 0.292 491 G HA3 0.759 4.723 3.960 0.007 0.000 0.292 491 G C -2.422 172.543 174.900 0.109 0.000 1.375 491 G CA -0.495 44.580 45.100 -0.041 0.000 0.890 491 G HN 0.592 nan 8.290 nan 0.000 0.476 492 L N 1.024 122.348 121.223 0.169 0.000 2.476 492 L HA 0.619 4.963 4.340 0.007 0.000 0.269 492 L C -1.184 175.778 176.870 0.154 0.000 0.965 492 L CA -0.707 54.257 54.840 0.207 0.000 0.845 492 L CB 1.689 43.922 42.059 0.289 0.000 1.259 492 L HN 0.367 nan 8.230 nan 0.000 0.403 493 I N 3.275 123.920 120.570 0.125 0.000 2.392 493 I HA 0.548 4.722 4.170 0.007 0.000 0.295 493 I C -0.028 176.103 176.117 0.024 0.000 0.985 493 I CA -0.278 61.067 61.300 0.075 0.000 1.221 493 I CB 1.520 39.557 38.000 0.062 0.000 1.366 493 I HN 0.665 nan 8.210 nan 0.000 0.467 494 S N 6.916 122.584 115.700 -0.053 0.000 2.668 494 S HA 0.603 5.077 4.470 0.007 0.000 0.277 494 S C -1.123 173.361 174.600 -0.194 0.000 1.170 494 S CA -0.596 57.458 58.200 -0.245 0.000 0.994 494 S CB 1.004 63.954 63.200 -0.417 0.000 1.051 494 S HN 0.705 nan 8.310 nan 0.000 0.484 495 Q N 2.775 122.461 119.800 -0.190 0.000 2.340 495 Q HA 0.486 4.830 4.340 0.007 0.000 0.276 495 Q C -1.417 174.492 176.000 -0.152 0.000 1.048 495 Q CA -1.049 54.677 55.803 -0.128 0.000 0.832 495 Q CB 1.401 30.104 28.738 -0.059 0.000 1.373 495 Q HN 0.666 nan 8.270 nan 0.000 0.409 496 E N 3.311 123.422 120.200 -0.149 0.000 2.130 496 E HA 0.310 4.664 4.350 0.007 0.000 0.284 496 E C -0.485 176.041 176.600 -0.122 0.000 1.018 496 E CA -0.794 55.494 56.400 -0.187 0.000 0.817 496 E CB 0.826 30.432 29.700 -0.157 0.000 1.078 496 E HN 0.493 nan 8.360 nan 0.000 0.396 497 I N 3.714 124.202 120.570 -0.138 0.000 2.278 497 I HA 0.058 4.232 4.170 0.007 0.000 0.296 497 I C 0.109 176.207 176.117 -0.033 0.000 1.121 497 I CA -0.440 60.854 61.300 -0.010 0.000 1.267 497 I CB -1.148 36.956 38.000 0.174 0.000 1.447 497 I HN 0.795 nan 8.210 nan 0.000 0.509 498 N N 5.397 124.079 118.700 -0.029 0.000 2.501 498 N HA -0.189 4.555 4.740 0.007 0.000 0.291 498 N C 1.138 176.622 175.510 -0.042 0.000 1.304 498 N CA 1.097 54.132 53.050 -0.024 0.000 0.686 498 N CB -0.390 38.095 38.487 -0.003 0.000 0.924 498 N HN 1.015 nan 8.380 nan 0.000 0.533 499 G N 1.269 110.038 108.800 -0.051 0.000 2.205 499 G HA2 -0.352 3.612 3.960 0.007 0.000 0.269 499 G HA3 -0.352 3.612 3.960 0.007 0.000 0.269 499 G C -0.039 174.814 174.900 -0.079 0.000 0.977 499 G CA 0.961 46.029 45.100 -0.054 0.000 0.652 499 G HN 0.829 nan 8.290 nan 0.000 0.539 500 E N 0.311 120.430 120.200 -0.135 0.000 2.218 500 E HA 0.506 4.859 4.350 0.007 0.000 0.263 500 E C -0.533 175.819 176.600 -0.414 0.000 0.879 500 E CA -0.504 55.766 56.400 -0.217 0.000 0.762 500 E CB 1.016 30.601 29.700 -0.192 0.000 1.166 500 E HN 0.071 nan 8.360 nan 0.000 0.415 501 T N 4.342 118.709 114.554 -0.311 0.000 2.780 501 T HA 0.255 4.609 4.350 0.007 0.000 0.294 501 T C -0.557 173.923 174.700 -0.366 0.000 0.949 501 T CA -0.411 61.485 62.100 -0.340 0.000 1.074 501 T CB 0.242 68.998 68.868 -0.188 0.000 0.910 501 T HN 0.319 nan 8.240 nan 0.000 0.501 502 H N 1.925 120.894 119.070 -0.169 0.000 2.529 502 H HA 0.449 5.009 4.556 0.006 0.000 0.348 502 H C -0.968 174.214 175.328 -0.243 0.000 1.152 502 H CA -0.603 55.401 56.048 -0.073 0.000 1.202 502 H CB 1.134 30.877 29.762 -0.031 0.000 1.562 502 H HN 0.557 nan 8.280 nan 0.000 0.515 503 Y N -0.186 120.204 120.300 0.151 0.000 2.462 503 Y HA 0.443 4.997 4.550 0.007 0.000 0.346 503 Y C -0.309 175.638 175.900 0.079 0.000 0.976 503 Y CA -0.822 57.334 58.100 0.093 0.000 1.044 503 Y CB 2.041 40.541 38.460 0.066 0.000 1.230 503 Y HN 0.208 nan 8.280 nan 0.000 0.455 504 V N 2.415 122.456 119.914 0.211 0.000 2.532 504 V HA 0.659 4.783 4.120 0.007 0.000 0.294 504 V C -0.438 175.744 176.094 0.146 0.000 1.036 504 V CA -1.129 61.256 62.300 0.141 0.000 0.876 504 V CB 1.377 33.252 31.823 0.085 0.000 1.012 504 V HN 0.903 nan 8.190 nan 0.000 0.432 505 A N 6.284 129.191 122.820 0.144 0.000 2.366 505 A HA 0.826 5.150 4.320 0.007 0.000 0.272 505 A C -0.518 177.124 177.584 0.097 0.000 1.135 505 A CA -0.221 51.909 52.037 0.155 0.000 0.804 505 A CB 0.337 19.444 19.000 0.178 0.000 1.064 505 A HN 0.817 nan 8.150 nan 0.000 0.499 506 L N 2.362 123.627 121.223 0.069 0.000 2.322 506 L HA 0.405 4.748 4.340 0.007 0.000 0.281 506 L C 0.117 176.974 176.870 -0.022 0.000 1.014 506 L CA -0.465 54.390 54.840 0.024 0.000 0.815 506 L CB 2.000 44.072 42.059 0.023 0.000 1.247 506 L HN 0.657 nan 8.230 nan 0.000 0.421 507 T N 0.861 115.408 114.554 -0.012 0.000 2.806 507 T HA 0.110 4.464 4.350 0.007 0.000 0.290 507 T C -0.019 174.665 174.700 -0.027 0.000 0.966 507 T CA -0.072 62.013 62.100 -0.025 0.000 1.060 507 T CB 0.768 69.637 68.868 0.001 0.000 0.927 507 T HN 0.737 nan 8.240 nan 0.000 0.485 508 D N 2.273 122.647 120.400 -0.043 0.000 2.803 508 D HA -0.181 4.463 4.640 0.007 0.000 0.233 508 D C 0.208 176.492 176.300 -0.026 0.000 1.182 508 D CA 0.279 54.265 54.000 -0.024 0.000 0.726 508 D CB -1.364 39.445 40.800 0.015 0.000 0.987 508 D HN 0.674 nan 8.370 nan 0.000 0.412 509 I N -2.136 118.403 120.570 -0.052 0.000 2.752 509 I HA 0.205 4.379 4.170 0.007 0.000 0.287 509 I C 0.833 176.932 176.117 -0.030 0.000 1.188 509 I CA -0.722 60.555 61.300 -0.038 0.000 1.427 509 I CB 0.446 38.414 38.000 -0.053 0.000 1.365 509 I HN 0.061 nan 8.210 nan 0.000 0.585 510 L N 4.528 125.739 121.223 -0.020 0.000 2.466 510 L HA 0.277 4.621 4.340 0.007 0.000 0.257 510 L C 1.874 178.716 176.870 -0.047 0.000 1.189 510 L CA 0.092 54.919 54.840 -0.021 0.000 0.813 510 L CB 0.757 42.811 42.059 -0.008 0.000 1.118 510 L HN 0.923 nan 8.230 nan 0.000 0.471 511 G N 0.199 108.970 108.800 -0.048 0.000 2.450 511 G HA2 -0.255 3.709 3.960 0.007 0.000 0.220 511 G HA3 -0.255 3.709 3.960 0.007 0.000 0.220 511 G C 1.481 176.294 174.900 -0.146 0.000 1.130 511 G CA 0.964 46.020 45.100 -0.074 0.000 0.760 511 G HN 0.799 nan 8.290 nan 0.000 0.557 512 A N 0.866 123.586 122.820 -0.167 0.000 1.897 512 A HA 0.061 4.385 4.320 0.007 0.000 0.215 512 A C 2.112 179.444 177.584 -0.420 0.000 1.181 512 A CA 1.621 53.443 52.037 -0.360 0.000 0.620 512 A CB -0.287 18.592 19.000 -0.201 0.000 0.821 512 A HN 0.437 nan 8.150 nan 0.000 0.443 513 E N -0.429 119.693 120.200 -0.130 0.000 2.338 513 E HA -0.179 4.175 4.350 0.007 0.000 0.197 513 E C 1.400 177.976 176.600 -0.040 0.000 1.007 513 E CA 0.900 57.294 56.400 -0.009 0.000 0.849 513 E CB -0.094 29.625 29.700 0.032 0.000 0.774 513 E HN 0.736 nan 8.360 nan 0.000 0.506 514 D N 0.769 121.108 120.400 -0.103 0.000 2.103 514 D HA -0.080 4.564 4.640 0.007 0.000 0.199 514 D C 1.955 178.205 176.300 -0.083 0.000 0.978 514 D CA 1.416 55.374 54.000 -0.071 0.000 0.829 514 D CB -0.033 40.721 40.800 -0.076 0.000 0.981 514 D HN 0.083 nan 8.370 nan 0.000 0.464 515 A N -0.653 122.041 122.820 -0.211 0.000 1.972 515 A HA -0.050 4.274 4.320 0.007 0.000 0.219 515 A C 1.649 179.187 177.584 -0.078 0.000 1.169 515 A CA 0.937 52.842 52.037 -0.220 0.000 0.635 515 A CB -0.817 17.935 19.000 -0.413 0.000 0.810 515 A HN 0.331 nan 8.150 nan 0.000 0.446 516 F N -0.045 119.915 119.950 0.016 0.000 2.776 516 F HA 0.275 4.806 4.527 0.006 0.000 0.300 516 F C 1.654 177.464 175.800 0.018 0.000 1.116 516 F CA -0.555 57.452 58.000 0.012 0.000 1.375 516 F CB -0.945 38.056 39.000 0.001 0.000 1.109 516 F HN 0.166 nan 8.300 nan 0.000 0.585 517 G N -0.192 108.706 108.800 0.165 0.000 2.588 517 G HA2 0.241 4.205 3.960 0.007 0.000 0.281 517 G HA3 0.241 4.205 3.960 0.007 0.000 0.281 517 G C -0.294 174.669 174.900 0.105 0.000 1.236 517 G CA -0.270 44.903 45.100 0.121 0.000 0.969 517 G HN 0.142 nan 8.290 nan 0.000 0.504 518 D N -1.245 119.216 120.400 0.102 0.000 2.441 518 D HA 0.232 4.876 4.640 0.007 0.000 0.210 518 D C 0.436 176.803 176.300 0.112 0.000 1.102 518 D CA 0.216 54.272 54.000 0.093 0.000 0.840 518 D CB 0.486 41.331 40.800 0.075 0.000 0.990 518 D HN 0.236 nan 8.370 nan 0.000 0.505 519 M N 1.183 120.865 119.600 0.137 0.000 2.389 519 M HA 0.193 4.677 4.480 0.007 0.000 0.291 519 M C -2.360 174.059 176.300 0.199 0.000 1.128 519 M CA -0.617 54.787 55.300 0.173 0.000 0.942 519 M CB 2.246 34.972 32.600 0.210 0.000 1.783 519 M HN -0.053 nan 8.290 nan 0.000 0.501 520 D N 3.811 124.326 120.400 0.192 0.000 2.788 520 D HA 0.664 5.308 4.640 0.007 0.000 0.247 520 D C -1.565 174.857 176.300 0.203 0.000 1.236 520 D CA -0.388 53.684 54.000 0.120 0.000 0.898 520 D CB 1.244 42.067 40.800 0.038 0.000 1.401 520 D HN 0.445 nan 8.370 nan 0.000 0.549 521 F N -0.360 119.606 119.950 0.027 0.000 2.576 521 F HA 0.691 5.222 4.527 0.006 0.000 0.313 521 F C -1.000 174.813 175.800 0.023 0.000 1.078 521 F CA -1.150 56.866 58.000 0.026 0.000 0.921 521 F CB 1.789 40.806 39.000 0.028 0.000 1.232 521 F HN 0.106 nan 8.300 nan 0.000 0.459 522 K N 2.741 123.208 120.400 0.111 0.000 2.292 522 K HA 0.763 5.087 4.320 0.007 0.000 0.257 522 K C -1.587 175.082 176.600 0.115 0.000 0.940 522 K CA -1.042 55.258 56.287 0.021 0.000 0.811 522 K CB 2.827 35.328 32.500 0.003 0.000 1.120 522 K HN 0.567 nan 8.250 nan 0.000 0.428 523 V N 1.395 121.361 119.914 0.086 0.000 2.656 523 V HA 0.774 4.898 4.120 0.007 0.000 0.307 523 V C -0.723 175.403 176.094 0.053 0.000 1.051 523 V CA -0.866 61.505 62.300 0.118 0.000 0.893 523 V CB 1.629 33.553 31.823 0.168 0.000 0.999 523 V HN 0.952 nan 8.190 nan 0.000 0.426 524 A N 2.537 125.388 122.820 0.052 0.000 2.498 524 A HA 1.086 5.410 4.320 0.007 0.000 0.298 524 A C -0.103 177.484 177.584 0.004 0.000 1.075 524 A CA -0.102 51.936 52.037 0.001 0.000 0.714 524 A CB 2.205 21.193 19.000 -0.020 0.000 1.299 524 A HN 1.832 nan 8.150 nan 0.000 0.407 525 G N -0.741 108.021 108.800 -0.062 0.000 2.316 525 G HA2 0.599 4.563 3.960 0.007 0.000 0.296 525 G HA3 0.599 4.563 3.960 0.007 0.000 0.296 525 G C -0.248 174.515 174.900 -0.229 0.000 1.399 525 G CA 0.399 45.420 45.100 -0.132 0.000 0.833 525 G HN 1.644 nan 8.290 nan 0.000 0.565 526 T N -1.788 112.510 114.554 -0.427 0.000 2.833 526 T HA 0.388 4.742 4.350 0.007 0.000 0.312 526 T C 1.449 175.991 174.700 -0.263 0.000 1.085 526 T CA 0.526 62.394 62.100 -0.386 0.000 0.955 526 T CB 1.113 69.638 68.868 -0.572 0.000 1.353 526 T HN 0.628 nan 8.240 nan 0.000 0.544 527 K N -0.093 120.193 120.400 -0.190 0.000 2.288 527 K HA -0.035 4.289 4.320 0.007 0.000 0.201 527 K C 1.912 178.469 176.600 -0.071 0.000 1.048 527 K CA 0.750 56.976 56.287 -0.100 0.000 0.956 527 K CB 0.082 32.543 32.500 -0.065 0.000 0.746 527 K HN 0.532 nan 8.250 nan 0.000 0.461 528 E N -0.340 119.798 120.200 -0.103 0.000 2.166 528 E HA 0.032 4.386 4.350 0.007 0.000 0.192 528 E C 0.482 177.184 176.600 0.171 0.000 0.967 528 E CA 0.477 56.909 56.400 0.053 0.000 0.840 528 E CB 0.258 30.075 29.700 0.194 0.000 0.795 528 E HN 0.225 nan 8.360 nan 0.000 0.470 529 F N -1.995 117.961 119.950 0.010 0.000 2.789 529 F HA 0.556 5.087 4.527 0.006 0.000 0.319 529 F C -0.721 175.105 175.800 0.043 0.000 1.168 529 F CA -1.617 56.393 58.000 0.017 0.000 0.934 529 F CB 0.770 39.783 39.000 0.021 0.000 1.375 529 F HN -0.397 nan 8.300 nan 0.000 0.480 530 V N 1.267 121.380 119.914 0.331 0.000 2.432 530 V HA 0.285 4.409 4.120 0.007 0.000 0.275 530 V C 0.756 177.142 176.094 0.487 0.000 1.043 530 V CA 0.393 62.861 62.300 0.280 0.000 0.925 530 V CB 0.938 32.905 31.823 0.240 0.000 0.985 530 V HN 1.056 nan 8.190 nan 0.000 0.466 531 T N 0.818 115.536 114.554 0.273 0.000 3.022 531 T HA 0.587 4.941 4.350 0.007 0.000 0.250 531 T C 0.382 175.182 174.700 0.165 0.000 1.060 531 T CA 0.484 62.740 62.100 0.260 0.000 1.013 531 T CB 0.477 69.402 68.868 0.095 0.000 0.982 531 T HN 1.025 nan 8.240 nan 0.000 0.508 532 A N 0.584 123.508 122.820 0.173 0.000 2.594 532 A HA 0.735 5.059 4.320 0.007 0.000 0.296 532 A C -2.192 175.486 177.584 0.158 0.000 1.061 532 A CA -0.899 51.200 52.037 0.103 0.000 0.689 532 A CB 1.522 20.547 19.000 0.042 0.000 1.280 532 A HN 0.532 nan 8.150 nan 0.000 0.406 533 L N 0.567 121.876 121.223 0.144 0.000 2.526 533 L HA 0.739 5.082 4.340 0.007 0.000 0.263 533 L C -0.938 176.005 176.870 0.122 0.000 0.943 533 L CA 0.113 55.057 54.840 0.173 0.000 0.859 533 L CB 2.136 44.347 42.059 0.253 0.000 1.313 533 L HN 0.902 nan 8.230 nan 0.000 0.406 534 Q N 4.099 123.977 119.800 0.130 0.000 2.347 534 Q HA 0.793 5.137 4.340 0.007 0.000 0.271 534 Q C -2.140 173.949 176.000 0.149 0.000 1.064 534 Q CA -0.700 55.165 55.803 0.104 0.000 0.800 534 Q CB 2.472 31.256 28.738 0.076 0.000 1.304 534 Q HN 0.854 nan 8.270 nan 0.000 0.438 535 L N 2.401 123.696 121.223 0.120 0.000 2.466 535 L HA 0.672 5.015 4.340 0.007 0.000 0.258 535 L C -2.083 174.847 176.870 0.099 0.000 0.973 535 L CA -0.403 54.524 54.840 0.145 0.000 0.826 535 L CB 2.406 44.531 42.059 0.110 0.000 1.372 535 L HN 0.692 nan 8.230 nan 0.000 0.409 536 D N 1.904 122.371 120.400 0.111 0.000 2.947 536 D HA 0.550 5.194 4.640 0.007 0.000 0.224 536 D C -1.478 174.876 176.300 0.090 0.000 1.230 536 D CA -0.064 53.987 54.000 0.084 0.000 0.871 536 D CB 2.746 43.592 40.800 0.076 0.000 1.671 536 D HN 0.590 nan 8.370 nan 0.000 0.507 537 T N 0.223 114.819 114.554 0.071 0.000 2.831 537 T HA 0.254 4.608 4.350 0.007 0.000 0.333 537 T C -0.851 173.881 174.700 0.053 0.000 1.684 537 T CA -0.441 61.702 62.100 0.071 0.000 1.049 537 T CB 1.382 70.295 68.868 0.075 0.000 1.518 537 T HN 0.294 nan 8.240 nan 0.000 0.491 538 K N 1.544 121.975 120.400 0.051 0.000 2.402 538 K HA 0.430 4.754 4.320 0.007 0.000 0.204 538 K C 0.367 176.983 176.600 0.027 0.000 1.056 538 K CA -0.192 56.115 56.287 0.034 0.000 1.069 538 K CB 0.371 32.892 32.500 0.035 0.000 0.888 538 K HN 0.419 nan 8.250 nan 0.000 0.546 539 L N 2.156 123.404 121.223 0.043 0.000 2.485 539 L HA -0.005 4.339 4.340 0.007 0.000 0.275 539 L C -0.090 176.800 176.870 0.033 0.000 1.207 539 L CA 0.089 54.958 54.840 0.049 0.000 0.855 539 L CB 0.264 42.378 42.059 0.092 0.000 1.114 539 L HN 0.070 nan 8.230 nan 0.000 0.485 540 D N 3.417 123.834 120.400 0.027 0.000 2.745 540 D HA 0.300 4.944 4.640 0.007 0.000 0.229 540 D C 0.783 177.095 176.300 0.019 0.000 1.088 540 D CA 0.769 54.776 54.000 0.012 0.000 1.054 540 D CB -0.294 40.509 40.800 0.005 0.000 1.132 540 D HN 0.736 nan 8.370 nan 0.000 0.464 541 G N 0.945 109.753 108.800 0.014 0.000 2.801 541 G HA2 -0.175 3.789 3.960 0.007 0.000 0.686 541 G HA3 -0.175 3.789 3.960 0.007 0.000 0.686 541 G C -0.081 174.828 174.900 0.016 0.000 1.507 541 G CA -0.232 44.866 45.100 -0.003 0.000 0.980 541 G HN 0.558 nan 8.290 nan 0.000 0.589 542 I N -0.733 119.810 120.570 -0.045 0.000 2.828 542 I HA 0.771 4.945 4.170 0.007 0.000 0.302 542 I C -2.386 173.608 176.117 -0.204 0.000 1.101 542 I CA -3.022 58.197 61.300 -0.134 0.000 1.031 542 I CB 2.165 40.039 38.000 -0.210 0.000 1.231 542 I HN 0.393 nan 8.210 nan 0.000 0.427 543 P HA 0.092 nan 4.420 nan 0.000 0.264 543 P C 0.612 177.793 177.300 -0.198 0.000 1.183 543 P CA 0.079 63.053 63.100 -0.211 0.000 0.763 543 P CB 1.051 32.610 31.700 -0.234 0.000 0.807 544 A N 3.178 125.915 122.820 -0.138 0.000 1.948 544 A HA -0.224 4.100 4.320 0.007 0.000 0.220 544 A C 2.167 179.677 177.584 -0.123 0.000 1.177 544 A CA 2.261 54.223 52.037 -0.125 0.000 0.636 544 A CB -1.506 17.436 19.000 -0.095 0.000 0.815 544 A HN 0.623 nan 8.150 nan 0.000 0.449 545 S N -0.444 115.189 115.700 -0.112 0.000 2.399 545 S HA -0.121 4.353 4.470 0.007 0.000 0.231 545 S C 1.717 176.250 174.600 -0.112 0.000 1.022 545 S CA 1.416 59.561 58.200 -0.092 0.000 0.983 545 S CB -0.865 62.292 63.200 -0.070 0.000 0.803 545 S HN 0.270 nan 8.310 nan 0.000 0.480 546 V N 1.739 121.546 119.914 -0.178 0.000 2.283 546 V HA -0.057 4.067 4.120 0.007 0.000 0.243 546 V C 2.429 178.419 176.094 -0.172 0.000 1.039 546 V CA 1.567 63.739 62.300 -0.213 0.000 1.016 546 V CB -0.859 30.681 31.823 -0.470 0.000 0.650 546 V HN 0.434 nan 8.190 nan 0.000 0.449 547 L N 1.199 122.300 121.223 -0.203 0.000 1.989 547 L HA -0.145 4.198 4.340 0.007 0.000 0.211 547 L C 2.490 179.262 176.870 -0.163 0.000 1.071 547 L CA 2.590 57.304 54.840 -0.210 0.000 0.749 547 L CB -1.128 40.803 42.059 -0.214 0.000 0.890 547 L HN 0.237 nan 8.230 nan 0.000 0.431 548 A N -0.605 122.140 122.820 -0.125 0.000 1.948 548 A HA -0.176 4.148 4.320 0.007 0.000 0.220 548 A C 2.432 179.987 177.584 -0.049 0.000 1.177 548 A CA 2.135 54.122 52.037 -0.084 0.000 0.636 548 A CB -1.224 17.734 19.000 -0.070 0.000 0.815 548 A HN 0.645 nan 8.150 nan 0.000 0.449 549 A N -0.336 122.457 122.820 -0.045 0.000 1.898 549 A HA 0.209 4.533 4.320 0.007 0.000 0.216 549 A C 2.501 180.103 177.584 0.030 0.000 1.181 549 A CA 1.948 53.980 52.037 -0.008 0.000 0.620 549 A CB -0.956 18.039 19.000 -0.009 0.000 0.819 549 A HN 1.044 nan 8.150 nan 0.000 0.442 550 A N -0.175 122.661 122.820 0.027 0.000 1.902 550 A HA -0.027 4.297 4.320 0.007 0.000 0.217 550 A C 2.163 179.864 177.584 0.196 0.000 1.181 550 A CA 1.474 53.598 52.037 0.146 0.000 0.623 550 A CB -0.611 18.446 19.000 0.096 0.000 0.818 550 A HN 0.462 nan 8.150 nan 0.000 0.443 551 L N -0.676 120.576 121.223 0.048 0.000 2.083 551 L HA -0.188 4.156 4.340 0.007 0.000 0.209 551 L C 2.634 179.557 176.870 0.088 0.000 1.083 551 L CA 1.897 56.785 54.840 0.080 0.000 0.752 551 L CB -0.396 41.649 42.059 -0.023 0.000 0.899 551 L HN 0.475 nan 8.230 nan 0.000 0.433 552 K N 0.092 120.523 120.400 0.052 0.000 2.057 552 K HA -0.252 4.072 4.320 0.007 0.000 0.207 552 K C 2.209 178.845 176.600 0.060 0.000 1.049 552 K CA 1.487 57.800 56.287 0.044 0.000 0.931 552 K CB -0.051 32.464 32.500 0.024 0.000 0.714 552 K HN 0.238 nan 8.250 nan 0.000 0.440 553 Q N -0.092 119.753 119.800 0.076 0.000 2.061 553 Q HA -0.186 4.158 4.340 0.007 0.000 0.204 553 Q C 1.927 177.976 176.000 0.081 0.000 0.984 553 Q CA 1.717 57.565 55.803 0.074 0.000 0.846 553 Q CB -0.199 28.592 28.738 0.088 0.000 0.902 553 Q HN 0.461 nan 8.270 nan 0.000 0.421 554 A N 1.065 123.958 122.820 0.122 0.000 1.902 554 A HA -0.244 4.080 4.320 0.007 0.000 0.217 554 A C 2.047 179.678 177.584 0.079 0.000 1.181 554 A CA 1.651 53.753 52.037 0.108 0.000 0.623 554 A CB -0.676 18.448 19.000 0.206 0.000 0.818 554 A HN 0.448 nan 8.150 nan 0.000 0.443 555 R N -0.232 120.314 120.500 0.077 0.000 2.080 555 R HA -0.190 4.154 4.340 0.007 0.000 0.236 555 R C 1.565 177.893 176.300 0.047 0.000 1.137 555 R CA 2.017 58.149 56.100 0.053 0.000 0.943 555 R CB -0.469 29.858 30.300 0.045 0.000 0.846 555 R HN 0.425 nan 8.270 nan 0.000 0.431 556 D N 0.453 120.882 120.400 0.048 0.000 2.106 556 D HA -0.203 4.441 4.640 0.007 0.000 0.191 556 D C 1.813 178.154 176.300 0.069 0.000 0.997 556 D CA 1.849 55.878 54.000 0.049 0.000 0.834 556 D CB -0.499 40.324 40.800 0.037 0.000 0.956 556 D HN 0.454 nan 8.370 nan 0.000 0.448 557 A N 0.915 123.775 122.820 0.067 0.000 1.883 557 A HA -0.247 4.077 4.320 0.007 0.000 0.217 557 A C 2.200 179.843 177.584 0.098 0.000 1.186 557 A CA 2.077 54.169 52.037 0.091 0.000 0.624 557 A CB -0.669 18.368 19.000 0.062 0.000 0.822 557 A HN 0.185 nan 8.150 nan 0.000 0.444 558 R N -0.381 120.153 120.500 0.056 0.000 2.103 558 R HA -0.131 4.213 4.340 0.007 0.000 0.242 558 R C 1.999 178.309 176.300 0.017 0.000 1.142 558 R CA 1.778 57.892 56.100 0.024 0.000 0.960 558 R CB -0.424 29.880 30.300 0.008 0.000 0.858 558 R HN 0.553 nan 8.270 nan 0.000 0.439 559 L N -0.837 120.408 121.223 0.036 0.000 2.056 559 L HA -0.175 4.169 4.340 0.007 0.000 0.207 559 L C 2.616 179.519 176.870 0.055 0.000 1.078 559 L CA 1.551 56.409 54.840 0.030 0.000 0.749 559 L CB -0.691 41.390 42.059 0.038 0.000 0.901 559 L HN 0.358 nan 8.230 nan 0.000 0.433 560 H N 0.665 119.740 119.070 0.008 0.000 2.319 560 H HA -0.176 4.384 4.556 0.006 0.000 0.299 560 H C 2.138 177.481 175.328 0.025 0.000 1.092 560 H CA 1.919 57.977 56.048 0.016 0.000 1.302 560 H CB -0.149 29.625 29.762 0.020 0.000 1.373 560 H HN 0.190 nan 8.280 nan 0.000 0.497 561 I N -0.106 120.408 120.570 -0.094 0.000 2.208 561 I HA -0.272 3.902 4.170 0.007 0.000 0.245 561 I C 2.377 178.430 176.117 -0.107 0.000 1.097 561 I CA 1.092 62.326 61.300 -0.110 0.000 1.363 561 I CB -0.310 37.696 38.000 0.009 0.000 1.051 561 I HN 0.265 nan 8.210 nan 0.000 0.413 562 L N 0.281 121.454 121.223 -0.083 0.000 2.127 562 L HA -0.255 4.088 4.340 0.007 0.000 0.211 562 L C 2.143 178.966 176.870 -0.078 0.000 1.089 562 L CA 1.208 56.001 54.840 -0.078 0.000 0.757 562 L CB -0.604 41.415 42.059 -0.067 0.000 0.899 562 L HN 0.305 nan 8.230 nan 0.000 0.434 563 D N -0.511 119.831 120.400 -0.096 0.000 2.084 563 D HA -0.141 4.503 4.640 0.007 0.000 0.196 563 D C 2.328 178.570 176.300 -0.097 0.000 0.985 563 D CA 1.205 55.155 54.000 -0.084 0.000 0.826 563 D CB -0.220 40.538 40.800 -0.070 0.000 0.978 563 D HN 0.092 nan 8.370 nan 0.000 0.456 564 V N 1.265 121.078 119.914 -0.168 0.000 2.332 564 V HA -0.277 3.846 4.120 0.007 0.000 0.248 564 V C 2.567 178.640 176.094 -0.035 0.000 1.055 564 V CA 1.510 63.744 62.300 -0.110 0.000 1.038 564 V CB -0.458 31.283 31.823 -0.136 0.000 0.651 564 V HN 0.201 nan 8.190 nan 0.000 0.450 565 M N -1.279 118.305 119.600 -0.026 0.000 2.159 565 M HA -0.224 4.260 4.480 0.007 0.000 0.263 565 M C 2.264 178.551 176.300 -0.020 0.000 1.063 565 M CA 2.044 57.340 55.300 -0.006 0.000 1.110 565 M CB -0.408 32.170 32.600 -0.036 0.000 1.374 565 M HN 0.350 nan 8.290 nan 0.000 0.411 566 M N 0.501 120.080 119.600 -0.035 0.000 2.159 566 M HA -0.232 4.252 4.480 0.007 0.000 0.263 566 M C 1.628 177.916 176.300 -0.020 0.000 1.063 566 M CA 1.815 57.097 55.300 -0.031 0.000 1.110 566 M CB -0.069 32.511 32.600 -0.033 0.000 1.374 566 M HN 0.200 nan 8.290 nan 0.000 0.411 567 E N 0.223 120.412 120.200 -0.018 0.000 2.110 567 E HA -0.177 4.177 4.350 0.007 0.000 0.193 567 E C 1.999 178.597 176.600 -0.004 0.000 0.988 567 E CA 1.219 57.613 56.400 -0.010 0.000 0.804 567 E CB -0.264 29.431 29.700 -0.009 0.000 0.745 567 E HN 0.670 nan 8.360 nan 0.000 0.458 568 A N 1.079 123.899 122.820 0.000 0.000 1.873 568 A HA 0.032 4.356 4.320 0.007 0.000 0.215 568 A C 1.327 178.912 177.584 0.002 0.000 1.186 568 A CA 0.786 52.828 52.037 0.008 0.000 0.616 568 A CB 0.082 19.096 19.000 0.023 0.000 0.823 568 A HN 0.292 nan 8.150 nan 0.000 0.442 569 I N -2.705 117.861 120.570 -0.006 0.000 2.753 569 I HA 0.247 4.421 4.170 0.007 0.000 0.291 569 I C -0.611 175.493 176.117 -0.022 0.000 1.425 569 I CA -0.470 60.822 61.300 -0.012 0.000 1.039 569 I CB 1.779 39.772 38.000 -0.012 0.000 1.349 569 I HN 0.168 nan 8.210 nan 0.000 0.430 570 D N 3.109 123.495 120.400 -0.023 0.000 3.012 570 D HA 0.107 4.751 4.640 0.007 0.000 0.284 570 D C 0.400 176.679 176.300 -0.034 0.000 1.259 570 D CA 1.174 55.157 54.000 -0.028 0.000 1.036 570 D CB 0.609 41.396 40.800 -0.022 0.000 1.167 570 D HN 0.617 nan 8.370 nan 0.000 0.429 571 T N -0.217 114.319 114.554 -0.029 0.000 2.918 571 T HA 0.615 4.968 4.350 0.007 0.000 0.283 571 T C -2.586 172.092 174.700 -0.038 0.000 1.001 571 T CA -1.649 60.431 62.100 -0.034 0.000 1.041 571 T CB 1.393 70.246 68.868 -0.025 0.000 1.028 571 T HN -0.157 nan 8.240 nan 0.000 0.511 572 P HA 0.249 nan 4.420 nan 0.000 0.267 572 P C -0.362 176.918 177.300 -0.033 0.000 1.200 572 P CA -0.185 62.882 63.100 -0.055 0.000 0.772 572 P CB 0.362 32.015 31.700 -0.079 0.000 0.855 573 D N 0.684 121.069 120.400 -0.026 0.000 2.451 573 D HA 0.160 4.804 4.640 0.007 0.000 0.259 573 D C 0.172 176.466 176.300 -0.009 0.000 1.201 573 D CA -0.189 53.803 54.000 -0.012 0.000 1.028 573 D CB 0.388 41.185 40.800 -0.005 0.000 1.095 573 D HN 0.301 nan 8.370 nan 0.000 0.539 574 E N 0.097 120.296 120.200 -0.002 0.000 2.392 574 E HA 0.068 4.422 4.350 0.007 0.000 0.264 574 E C -0.327 176.272 176.600 -0.001 0.000 1.024 574 E CA -0.071 56.331 56.400 0.003 0.000 0.903 574 E CB 0.548 30.251 29.700 0.005 0.000 0.963 574 E HN 0.246 nan 8.360 nan 0.000 0.432 575 M N 3.461 123.061 119.600 -0.000 0.000 2.268 575 M HA 0.001 4.485 4.480 0.007 0.000 0.349 575 M C -0.066 176.213 176.300 -0.034 0.000 1.485 575 M CA 0.337 55.625 55.300 -0.021 0.000 1.094 575 M CB 0.375 32.964 32.600 -0.019 0.000 1.843 575 M HN 0.491 nan 8.290 nan 0.000 0.460 576 S N 6.814 122.485 115.700 -0.048 0.000 2.599 576 S HA 0.028 4.502 4.470 0.007 0.000 0.303 576 S C -1.331 173.237 174.600 -0.054 0.000 1.267 576 S CA -0.874 57.303 58.200 -0.038 0.000 1.055 576 S CB 0.500 63.687 63.200 -0.023 0.000 0.790 576 S HN 0.671 nan 8.310 nan 0.000 0.500 577 P HA -0.102 nan 4.420 nan 0.000 0.218 577 P C 0.525 177.816 177.300 -0.015 0.000 1.149 577 P CA 1.279 64.373 63.100 -0.011 0.000 0.817 577 P CB -0.237 31.466 31.700 0.005 0.000 0.785 578 N N -0.295 118.405 118.700 -0.001 0.000 2.609 578 N HA 0.076 4.820 4.740 0.007 0.000 0.190 578 N C 0.728 176.222 175.510 -0.027 0.000 1.157 578 N CA -0.340 52.732 53.050 0.037 0.000 0.918 578 N CB -0.056 38.504 38.487 0.121 0.000 0.978 578 N HN 0.224 nan 8.380 nan 0.000 0.448 579 A N 1.087 123.781 122.820 -0.211 0.000 2.288 579 A HA 0.631 4.955 4.320 0.007 0.000 0.328 579 A C -2.454 175.071 177.584 -0.098 0.000 1.123 579 A CA -1.469 50.337 52.037 -0.385 0.000 0.861 579 A CB 0.824 19.438 19.000 -0.643 0.000 1.272 579 A HN -0.120 nan 8.150 nan 0.000 0.490 580 P HA 0.563 nan 4.420 nan 0.000 0.280 580 P C -1.130 176.271 177.300 0.167 0.000 1.272 580 P CA -0.464 62.680 63.100 0.073 0.000 0.819 580 P CB 0.757 32.501 31.700 0.073 0.000 1.122 581 R N 0.977 121.509 120.500 0.052 0.000 2.771 581 R HA 0.576 4.920 4.340 0.007 0.000 0.274 581 R C -0.751 175.483 176.300 -0.109 0.000 0.987 581 R CA -0.666 55.456 56.100 0.037 0.000 0.908 581 R CB 1.003 31.328 30.300 0.042 0.000 1.213 581 R HN 0.414 nan 8.270 nan 0.000 0.468 582 I N 2.544 123.014 120.570 -0.166 0.000 2.998 582 I HA 0.296 4.470 4.170 0.007 0.000 0.338 582 I C 0.116 176.173 176.117 -0.099 0.000 1.413 582 I CA -0.406 60.782 61.300 -0.187 0.000 0.880 582 I CB 0.338 38.142 38.000 -0.327 0.000 2.051 582 I HN 0.374 nan 8.210 nan 0.000 0.561 583 I N 2.435 122.973 120.570 -0.052 0.000 2.752 583 I HA -0.045 4.129 4.170 0.007 0.000 0.289 583 I C 1.054 177.153 176.117 -0.030 0.000 1.197 583 I CA 0.680 61.964 61.300 -0.026 0.000 1.432 583 I CB 0.571 38.565 38.000 -0.012 0.000 1.359 583 I HN 0.409 nan 8.210 nan 0.000 0.571 584 T N 4.255 118.796 114.554 -0.021 0.000 2.767 584 T HA 0.707 5.061 4.350 0.007 0.000 0.288 584 T C -0.333 174.360 174.700 -0.012 0.000 0.963 584 T CA -0.612 61.476 62.100 -0.020 0.000 1.019 584 T CB 1.440 70.298 68.868 -0.017 0.000 0.923 584 T HN 0.322 nan 8.240 nan 0.000 0.468 605 Q N 0.155 119.952 119.800 -0.006 0.000 1.914 605 Q HA 0.044 4.388 4.340 0.007 0.000 0.222 605 Q C 2.533 178.529 176.000 -0.006 0.000 1.031 605 Q CA 4.453 60.253 55.803 -0.005 0.000 0.886 605 Q CB -1.762 26.973 28.738 -0.005 0.000 0.982 605 Q HN 2.114 nan 8.270 nan 0.000 0.417 606 I N -1.078 119.488 120.570 -0.006 0.000 3.956 606 I HA 0.599 4.773 4.170 0.007 0.000 0.333 606 I C 2.348 178.460 176.117 -0.008 0.000 1.302 606 I CA 1.431 62.727 61.300 -0.006 0.000 1.122 606 I CB -1.287 36.710 38.000 -0.006 0.000 1.013 606 I HN 0.818 nan 8.210 nan 0.000 0.405 607 Q N 0.385 120.180 119.800 -0.009 0.000 2.297 607 Q HA 0.124 4.468 4.340 0.007 0.000 0.204 607 Q C 1.725 177.719 176.000 -0.009 0.000 0.962 607 Q CA 1.758 57.555 55.803 -0.010 0.000 0.879 607 Q CB -0.768 27.963 28.738 -0.011 0.000 0.947 607 Q HN 1.246 nan 8.270 nan 0.000 0.462 608 E N -1.182 119.013 120.200 -0.008 0.000 2.583 608 E HA 0.390 4.744 4.350 0.007 0.000 0.213 608 E C 1.214 177.810 176.600 -0.005 0.000 0.989 608 E CA 1.170 57.566 56.400 -0.007 0.000 0.991 608 E CB -0.450 29.246 29.700 -0.006 0.000 1.040 608 E HN 0.840 nan 8.360 nan 0.000 0.481 609 D N -1.122 119.275 120.400 -0.005 0.000 2.995 609 D HA 0.224 4.868 4.640 0.007 0.000 0.289 609 D C 2.285 178.583 176.300 -0.004 0.000 1.116 609 D CA 1.421 55.419 54.000 -0.004 0.000 0.994 609 D CB -0.878 39.920 40.800 -0.004 0.000 1.209 609 D HN 0.475 nan 8.370 nan 0.000 0.458 610 T N -0.869 113.682 114.554 -0.005 0.000 3.035 610 T HA 0.435 4.789 4.350 0.007 0.000 0.268 610 T C 1.862 176.559 174.700 -0.005 0.000 1.109 610 T CA 1.622 63.719 62.100 -0.005 0.000 1.119 610 T CB -0.673 68.191 68.868 -0.006 0.000 0.900 610 T HN 1.647 nan 8.240 nan 0.000 0.503 611 G N 0.085 108.882 108.800 -0.006 0.000 2.815 611 G HA2 0.488 4.452 3.960 0.007 0.000 0.234 611 G HA3 0.488 4.452 3.960 0.007 0.000 0.234 611 G C -0.102 174.793 174.900 -0.009 0.000 0.971 611 G CA -0.051 45.046 45.100 -0.006 0.000 1.124 611 G HN 1.909 nan 8.290 nan 0.000 0.435 612 A N 0.433 123.245 122.820 -0.013 0.000 2.449 612 A HA 0.844 5.168 4.320 0.007 0.000 0.304 612 A C -0.068 177.502 177.584 -0.023 0.000 1.004 612 A CA 0.780 52.805 52.037 -0.020 0.000 0.871 612 A CB -0.328 18.660 19.000 -0.021 0.000 1.092 612 A HN 2.382 nan 8.150 nan 0.000 0.364 613 E N 1.276 121.459 120.200 -0.028 0.000 1.896 613 E HA 0.514 4.868 4.350 0.007 0.000 0.276 613 E C 0.810 177.391 176.600 -0.031 0.000 1.171 613 E CA 0.568 56.951 56.400 -0.029 0.000 1.118 613 E CB -1.440 28.240 29.700 -0.034 0.000 1.077 613 E HN 2.294 nan 8.360 nan 0.000 0.452 624 I N 1.333 121.879 120.570 -0.040 0.000 2.474 624 I HA 0.989 5.163 4.170 0.007 0.000 0.294 624 I C 0.416 176.496 176.117 -0.061 0.000 1.005 624 I CA -0.910 60.364 61.300 -0.042 0.000 1.113 624 I CB 1.825 39.806 38.000 -0.031 0.000 1.289 624 I HN 2.021 nan 8.210 nan 0.000 0.436 625 G N 4.017 112.779 108.800 -0.064 0.000 2.814 625 G HA2 0.821 4.785 3.960 0.007 0.000 0.300 625 G HA3 0.821 4.785 3.960 0.007 0.000 0.300 625 G C -0.267 174.594 174.900 -0.065 0.000 1.406 625 G CA 0.318 45.366 45.100 -0.087 0.000 1.041 625 G HN 1.834 nan 8.290 nan 0.000 0.532 626 A N 1.664 124.450 122.820 -0.057 0.000 2.306 626 A HA 0.801 5.125 4.320 0.007 0.000 0.330 626 A C 1.013 178.582 177.584 -0.025 0.000 1.146 626 A CA -0.019 51.998 52.037 -0.032 0.000 0.827 626 A CB 1.587 20.575 19.000 -0.020 0.000 1.178 626 A HN 1.544 nan 8.150 nan 0.000 0.490 627 A N 0.455 123.270 122.820 -0.008 0.000 2.379 627 A HA 0.542 4.866 4.320 0.007 0.000 0.236 627 A C 0.581 178.178 177.584 0.022 0.000 1.272 627 A CA 1.193 53.236 52.037 0.011 0.000 0.886 627 A CB -0.932 18.077 19.000 0.015 0.000 0.962 627 A HN 1.494 nan 8.150 nan 0.000 0.504 628 D N -2.823 117.584 120.400 0.012 0.000 2.663 628 D HA 0.462 5.106 4.640 0.007 0.000 0.233 628 D C 0.840 177.144 176.300 0.007 0.000 1.240 628 D CA -0.031 53.976 54.000 0.013 0.000 0.774 628 D CB 0.311 41.121 40.800 0.016 0.000 1.443 628 D HN 0.292 nan 8.370 nan 0.000 0.441 629 G N -0.065 108.738 108.800 0.005 0.000 2.418 629 G HA2 0.011 3.975 3.960 0.007 0.000 0.217 629 G HA3 0.011 3.975 3.960 0.007 0.000 0.217 629 G C -0.072 174.831 174.900 0.005 0.000 1.158 629 G CA 1.538 46.641 45.100 0.005 0.000 0.771 629 G HN 0.623 nan 8.290 nan 0.000 0.545 630 P HA 0.172 nan 4.420 nan 0.000 0.251 630 P C 0.896 178.197 177.300 0.003 0.000 1.251 630 P CA 1.114 64.217 63.100 0.005 0.000 0.763 630 P CB 0.292 31.995 31.700 0.006 0.000 1.067 631 A N 1.143 123.963 122.820 0.001 0.000 2.686 631 A HA 0.475 4.799 4.320 0.007 0.000 0.221 631 A C 2.345 179.926 177.584 -0.005 0.000 2.249 631 A CA 0.733 52.768 52.037 -0.002 0.000 1.005 631 A CB -1.315 17.682 19.000 -0.005 0.000 1.391 631 A HN 0.071 nan 8.150 nan 0.000 0.536 632 A N -0.719 122.096 122.820 -0.008 0.000 2.009 632 A HA -0.086 4.238 4.320 0.007 0.000 0.222 632 A C 1.983 179.563 177.584 -0.005 0.000 1.175 632 A CA 3.122 55.153 52.037 -0.010 0.000 0.651 632 A CB -1.331 17.660 19.000 -0.015 0.000 0.815 632 A HN 0.933 nan 8.150 nan 0.000 0.459 633 E N -0.306 119.893 120.200 -0.002 0.000 2.016 633 E HA 0.496 4.850 4.350 0.007 0.000 0.200 633 E C 1.437 178.037 176.600 0.000 0.000 0.949 633 E CA 0.902 57.302 56.400 0.001 0.000 0.879 633 E CB -1.155 28.547 29.700 0.003 0.000 0.846 633 E HN 1.281 nan 8.360 nan 0.000 0.507 657 S N -0.643 115.063 115.700 0.011 0.000 2.473 657 S HA 0.927 5.401 4.470 0.007 0.000 0.307 657 S C 0.421 175.038 174.600 0.028 0.000 1.094 657 S CA -0.098 58.113 58.200 0.018 0.000 1.070 657 S CB 1.300 64.505 63.200 0.008 0.000 1.019 657 S HN 2.285 nan 8.310 nan 0.000 0.480 658 V N 2.755 122.693 119.914 0.041 0.000 2.442 658 V HA 0.434 4.558 4.120 0.007 0.000 0.272 658 V C 1.362 177.489 176.094 0.056 0.000 0.989 658 V CA 0.966 63.295 62.300 0.048 0.000 1.123 658 V CB -0.859 30.999 31.823 0.058 0.000 1.008 658 V HN 1.403 nan 8.190 nan 0.000 0.469 659 V N 3.168 123.108 119.914 0.043 0.000 2.951 659 V HA 0.555 4.679 4.120 0.007 0.000 0.255 659 V C 1.133 177.256 176.094 0.048 0.000 1.088 659 V CA 2.304 64.630 62.300 0.044 0.000 1.109 659 V CB -1.107 30.733 31.823 0.029 0.000 0.724 659 V HN 1.509 nan 8.190 nan 0.000 0.471 660 K N -0.602 119.824 120.400 0.043 0.000 2.584 660 K HA 0.761 5.085 4.320 0.007 0.000 0.260 660 K C -0.579 176.040 176.600 0.032 0.000 0.949 660 K CA 0.434 56.744 56.287 0.038 0.000 0.888 660 K CB 0.114 32.631 32.500 0.028 0.000 1.330 660 K HN 1.672 nan 8.250 nan 0.000 0.432 664 F N 1.766 121.720 119.950 0.005 0.000 2.678 664 F HA 0.716 5.247 4.527 0.007 0.000 0.305 664 F C 1.332 177.136 175.800 0.006 0.000 1.090 664 F CA 0.646 58.649 58.000 0.005 0.000 1.272 664 F CB 0.189 39.192 39.000 0.005 0.000 1.060 664 F HN 1.106 nan 8.300 nan 0.000 0.576 665 G N -1.298 107.506 108.800 0.008 0.000 2.485 665 G HA2 0.641 4.605 3.960 0.007 0.000 0.182 665 G HA3 0.641 4.605 3.960 0.007 0.000 0.182 665 G C -1.279 173.628 174.900 0.012 0.000 1.172 665 G CA 0.206 45.311 45.100 0.009 0.000 0.996 665 G HN 1.561 nan 8.290 nan 0.000 0.496 666 A N -1.497 121.331 122.820 0.014 0.000 2.476 666 A HA 0.726 5.050 4.320 0.007 0.000 0.280 666 A C -0.493 177.101 177.584 0.018 0.000 1.081 666 A CA 0.290 52.338 52.037 0.018 0.000 0.753 666 A CB -0.022 18.990 19.000 0.020 0.000 1.248 666 A HN 2.322 nan 8.150 nan 0.000 0.424 667 F N 2.167 122.129 119.950 0.019 0.000 2.566 667 F HA 0.586 5.117 4.527 0.007 0.000 0.349 667 F C 0.515 176.327 175.800 0.020 0.000 1.245 667 F CA -0.369 57.642 58.000 0.018 0.000 1.169 667 F CB -0.683 38.327 39.000 0.017 0.000 1.470 667 F HN 1.214 nan 8.300 nan 0.000 0.634 668 V N 2.540 122.465 119.914 0.018 0.000 2.530 668 V HA 0.676 4.800 4.120 0.007 0.000 0.282 668 V C 0.740 176.842 176.094 0.013 0.000 1.048 668 V CA -0.344 61.966 62.300 0.017 0.000 0.997 668 V CB 0.448 32.280 31.823 0.016 0.000 0.987 668 V HN 1.603 nan 8.190 nan 0.000 0.477 669 S N 1.886 117.593 115.700 0.012 0.000 2.573 669 S HA 0.726 5.200 4.470 0.007 0.000 0.277 669 S C 0.614 175.217 174.600 0.005 0.000 1.346 669 S CA 0.956 59.160 58.200 0.008 0.000 1.034 669 S CB 0.610 63.813 63.200 0.005 0.000 0.879 669 S HN 2.420 nan 8.310 nan 0.000 0.528 670 L N 0.890 122.115 121.223 0.003 0.000 3.383 670 L HA 0.877 5.221 4.340 0.007 0.000 0.169 670 L C 1.063 177.933 176.870 0.000 0.000 1.161 670 L CA 0.859 55.700 54.840 0.002 0.000 0.847 670 L CB -1.276 40.785 42.059 0.003 0.000 1.514 670 L HN 1.539 nan 8.230 nan 0.000 0.582 676 G N -2.465 106.340 108.800 0.008 0.000 2.818 676 G HA2 1.092 5.056 3.960 0.007 0.000 0.286 676 G HA3 1.092 5.056 3.960 0.007 0.000 0.286 676 G C -0.847 174.058 174.900 0.009 0.000 1.364 676 G CA 0.318 45.423 45.100 0.008 0.000 0.938 676 G HN 2.080 nan 8.290 nan 0.000 0.490 677 L N -1.695 119.533 121.223 0.008 0.000 2.464 677 L HA 0.951 5.295 4.340 0.007 0.000 0.266 677 L C -0.494 176.381 176.870 0.008 0.000 0.965 677 L CA -0.724 54.122 54.840 0.009 0.000 0.833 677 L CB 0.737 42.801 42.059 0.008 0.000 1.296 677 L HN 1.811 nan 8.230 nan 0.000 0.405 678 L N 1.238 122.467 121.223 0.009 0.000 2.318 678 L HA 0.875 5.219 4.340 0.007 0.000 0.277 678 L C 0.786 177.661 176.870 0.008 0.000 1.008 678 L CA -0.288 54.557 54.840 0.008 0.000 0.846 678 L CB -0.276 41.788 42.059 0.009 0.000 1.220 678 L HN 2.325 nan 8.230 nan 0.000 0.423 700 G N -1.350 107.493 108.800 0.071 0.000 2.890 700 G HA2 0.760 4.724 3.960 0.007 0.000 0.189 700 G HA3 0.760 4.724 3.960 0.007 0.000 0.189 700 G C 0.862 175.840 174.900 0.131 0.000 1.342 700 G CA 0.541 45.693 45.100 0.086 0.000 1.026 700 G HN 2.413 nan 8.290 nan 0.000 0.579 701 V N -0.384 119.657 119.914 0.211 0.000 3.350 701 V HA 0.554 4.678 4.120 0.007 0.000 0.354 701 V C 1.265 177.548 176.094 0.315 0.000 1.257 701 V CA 1.266 63.719 62.300 0.255 0.000 1.323 701 V CB -0.577 31.426 31.823 0.301 0.000 1.201 701 V HN 1.407 nan 8.190 nan 0.000 0.447 702 G N -2.429 106.521 108.800 0.250 0.000 4.589 702 G HA2 0.469 4.433 3.960 0.007 0.000 0.218 702 G HA3 0.469 4.433 3.960 0.007 0.000 0.218 702 G C 0.287 175.260 174.900 0.122 0.000 0.678 702 G CA 0.965 46.172 45.100 0.178 0.000 0.859 702 G HN 1.327 nan 8.290 nan 0.000 0.650 703 Q N 0.141 120.021 119.800 0.133 0.000 2.614 703 Q HA 0.628 4.972 4.340 0.007 0.000 0.244 703 Q C 0.227 176.260 176.000 0.056 0.000 1.097 703 Q CA 1.166 57.024 55.803 0.092 0.000 0.986 703 Q CB -0.280 28.507 28.738 0.082 0.000 1.308 703 Q HN 1.639 nan 8.270 nan 0.000 0.546 704 K N -1.112 119.313 120.400 0.042 0.000 2.259 704 K HA 0.947 5.271 4.320 0.007 0.000 0.249 704 K C -0.455 176.159 176.600 0.024 0.000 0.942 704 K CA -0.065 56.237 56.287 0.026 0.000 0.816 704 K CB 0.940 33.451 32.500 0.018 0.000 1.155 704 K HN 2.300 nan 8.250 nan 0.000 0.428 705 V N -0.505 119.420 119.914 0.018 0.000 2.882 705 V HA 0.743 4.867 4.120 0.007 0.000 0.295 705 V C -0.093 176.008 176.094 0.012 0.000 1.273 705 V CA -0.380 61.930 62.300 0.016 0.000 0.949 705 V CB 0.988 32.822 31.823 0.018 0.000 1.071 705 V HN 1.417 nan 8.190 nan 0.000 0.432 706 Q N 2.203 122.009 119.800 0.010 0.000 2.244 706 Q HA 0.693 5.037 4.340 0.007 0.000 0.278 706 Q C -0.118 175.887 176.000 0.007 0.000 1.093 706 Q CA 0.684 56.492 55.803 0.007 0.000 0.916 706 Q CB 0.360 29.102 28.738 0.006 0.000 1.159 706 Q HN 2.676 nan 8.270 nan 0.000 0.384 707 V N 0.402 120.320 119.914 0.006 0.000 2.472 707 V HA 0.919 5.042 4.120 0.007 0.000 0.290 707 V C 0.138 176.235 176.094 0.005 0.000 1.037 707 V CA -0.214 62.090 62.300 0.006 0.000 0.908 707 V CB 1.215 33.041 31.823 0.007 0.000 0.985 707 V HN 1.248 nan 8.190 nan 0.000 0.454 708 E N 2.912 123.115 120.200 0.005 0.000 2.272 708 E HA 0.824 5.177 4.350 0.007 0.000 0.269 708 E C -0.550 176.052 176.600 0.004 0.000 0.877 708 E CA -0.121 56.281 56.400 0.004 0.000 0.755 708 E CB 1.497 31.200 29.700 0.004 0.000 1.192 708 E HN 2.465 nan 8.360 nan 0.000 0.422 709 I N 0.854 121.426 120.570 0.004 0.000 2.396 709 I HA 0.747 4.920 4.170 0.007 0.000 0.289 709 I C 1.243 177.362 176.117 0.003 0.000 1.056 709 I CA 0.303 61.605 61.300 0.004 0.000 1.365 709 I CB 0.160 38.162 38.000 0.003 0.000 1.407 709 I HN 1.167 nan 8.210 nan 0.000 0.509 710 A N 3.541 126.363 122.820 0.004 0.000 1.942 710 A HA 0.657 4.981 4.320 0.007 0.000 0.209 710 A C 1.123 178.709 177.584 0.003 0.000 1.214 710 A CA 1.296 53.335 52.037 0.003 0.000 0.686 710 A CB -0.052 18.950 19.000 0.004 0.000 0.871 710 A HN 2.030 nan 8.150 nan 0.000 0.460 711 E N -1.589 118.613 120.200 0.003 0.000 2.335 711 E HA 0.568 4.922 4.350 0.007 0.000 0.280 711 E C -0.970 175.632 176.600 0.003 0.000 0.918 711 E CA -0.085 56.317 56.400 0.003 0.000 0.765 711 E CB 0.420 30.121 29.700 0.003 0.000 1.218 711 E HN 1.533 nan 8.360 nan 0.000 0.425 712 I N 0.870 121.442 120.570 0.003 0.000 2.307 712 I HA 0.740 4.914 4.170 0.007 0.000 0.287 712 I C 0.525 176.643 176.117 0.003 0.000 1.054 712 I CA -0.139 61.163 61.300 0.003 0.000 1.218 712 I CB -0.322 37.679 38.000 0.002 0.000 1.398 712 I HN 1.075 nan 8.210 nan 0.000 0.475 713 D N 3.456 123.858 120.400 0.003 0.000 2.319 713 D HA 0.436 5.080 4.640 0.007 0.000 0.235 713 D C 1.655 177.957 176.300 0.002 0.000 1.304 713 D CA 0.580 54.581 54.000 0.003 0.000 0.894 713 D CB 0.287 41.089 40.800 0.003 0.000 1.183 713 D HN 1.616 nan 8.370 nan 0.000 0.472 714 S N -1.261 114.440 115.700 0.002 0.000 2.382 714 S HA 0.146 4.620 4.470 0.007 0.000 0.228 714 S C 2.394 176.996 174.600 0.002 0.000 1.027 714 S CA 2.634 60.835 58.200 0.002 0.000 0.991 714 S CB -0.502 62.699 63.200 0.002 0.000 0.823 714 S HN 1.111 nan 8.310 nan 0.000 0.469 715 R N 0.305 120.806 120.500 0.002 0.000 2.276 715 R HA 0.451 4.795 4.340 0.007 0.000 0.203 715 R C 1.837 178.139 176.300 0.002 0.000 1.017 715 R CA 1.201 57.302 56.100 0.002 0.000 1.010 715 R CB -1.409 28.892 30.300 0.003 0.000 0.900 715 R HN 1.706 nan 8.270 nan 0.000 0.469 716 G N -2.651 106.150 108.800 0.002 0.000 2.148 716 G HA2 0.150 4.114 3.960 0.007 0.000 0.203 716 G HA3 0.150 4.114 3.960 0.007 0.000 0.203 716 G C 0.660 175.562 174.900 0.003 0.000 0.993 716 G CA 0.842 45.944 45.100 0.002 0.000 0.661 716 G HN 1.142 nan 8.290 nan 0.000 0.518 717 K N 0.000 120.402 120.400 0.003 0.000 2.780 717 K HA 0.000 4.324 4.320 0.007 0.000 0.191 717 K CA 0.000 56.289 56.287 0.004 0.000 0.838 717 K CB 0.000 32.502 32.500 0.004 0.000 1.064 717 K HN 0.000 nan 8.250 nan 0.000 0.543