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 3o8r_1_A DATA FIRST_RESID -15 DATA SEQUENCE GSVVIVGRII LSGSGSXXIT AYSQQTRGLL GCIITSLTGR DKNQVEGEVQ DATA SEQUENCE VVSTATQSFL ATCVNGVCWT VYHGAGSKTL AGPKGPITQM YTNVDQDLVG DATA SEQUENCE WQAPPGARSL TPCTCGSSDL YLVTRHADVI PVRRRGDSRG SLLSPRPVSY DATA SEQUENCE LKGSSGGPLL CPSGHAVGIF RAAVCTRGVA KAVDFVPVES METTMRSPVF DATA SEQUENCE TDNSSPPAVP QSFQVAHLHA PTGSGKSTKV PAAYAAQGYK VLVLNPSVAA DATA SEQUENCE TLGFGAYMSK AHGIDPNIRT GVRTITTGAP VTYSTYGKFL ADGGCSGGAY DATA SEQUENCE DIIICDECHS TDSTTILGIG TVLDQAETAG ARLVVLATAT PPGSVTVPHP DATA SEQUENCE NIEEVALSNT GEIPFYGKAI PIEAIRGGRH LIFCHSKKKC DELAAKLSGL DATA SEQUENCE GINAVAYYRG LDVSVIPTIG DVVVVATDAL MTGYTGDFDS VIDCNTCVTQ DATA SEQUENCE TVDFSLDPTF TIETTTVPQD AVSRSQRRGR TGRGRRGIYR FVTPGERPSG DATA SEQUENCE MFDSSVLCEC YDAGCAWYEL TPAETSVRLR AYLNTPGLPV CQDHLEFWES DATA SEQUENCE VFTGLTHIDA HFLSQTKQAG DNFPYLVAYQ ATVCARAQAP PPSWDQMWKC DATA SEQUENCE LIRLKPTLHG PTPLLYRLGA VQNEVTLTHP ITKYIMACMS ADLEVVT 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 -15 G HA2 0.000 nan 3.960 nan 0.000 0.244 -15 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 -15 G C 0.000 174.903 174.900 0.006 0.000 0.946 -15 G CA 0.000 45.103 45.100 0.005 0.000 0.502 -14 S N -1.240 114.451 115.700 -0.014 0.000 2.645 -14 S HA 0.554 5.024 4.470 0.000 0.000 0.266 -14 S C 0.381 174.952 174.600 -0.047 0.000 1.258 -14 S CA -0.438 57.744 58.200 -0.030 0.000 0.990 -14 S CB 1.578 64.733 63.200 -0.075 0.000 0.967 -14 S HN 0.668 nan 8.310 nan 0.000 0.556 -13 V N 2.121 121.989 119.914 -0.077 0.000 2.614 -13 V HA 0.259 4.379 4.120 0.000 0.000 0.291 -13 V C -0.184 175.775 176.094 -0.225 0.000 1.049 -13 V CA -0.239 61.985 62.300 -0.126 0.000 1.038 -13 V CB 0.946 32.704 31.823 -0.108 0.000 0.980 -13 V HN 0.600 nan 8.190 nan 0.000 0.481 -12 V N 6.120 125.917 119.914 -0.195 0.000 2.495 -12 V HA 0.451 4.571 4.120 0.000 0.000 0.298 -12 V C -0.006 175.969 176.094 -0.197 0.000 1.031 -12 V CA -0.645 61.543 62.300 -0.187 0.000 0.871 -12 V CB 1.857 33.604 31.823 -0.127 0.000 0.988 -12 V HN 0.649 nan 8.190 nan 0.000 0.432 -11 I N 5.003 125.459 120.570 -0.189 0.000 2.436 -11 I HA 0.107 4.277 4.170 0.000 0.000 0.289 -11 I C 0.907 176.954 176.117 -0.117 0.000 1.083 -11 I CA 0.231 61.436 61.300 -0.158 0.000 1.372 -11 I CB 1.146 39.061 38.000 -0.142 0.000 1.408 -11 I HN 0.647 nan 8.210 nan 0.000 0.516 -10 V N 2.642 122.491 119.914 -0.108 0.000 3.432 -10 V HA 0.705 4.826 4.120 0.000 0.000 0.298 -10 V C 0.464 176.524 176.094 -0.058 0.000 1.464 -10 V CA 0.324 62.577 62.300 -0.078 0.000 1.046 -10 V CB -0.057 31.718 31.823 -0.079 0.000 0.887 -10 V HN 0.868 nan 8.190 nan 0.000 0.441 -9 G N 0.797 109.560 108.800 -0.062 0.000 2.320 -9 G HA2 0.618 4.578 3.960 0.000 0.000 0.296 -9 G HA3 0.618 4.578 3.960 0.000 0.000 0.296 -9 G C -1.435 173.435 174.900 -0.050 0.000 1.306 -9 G CA -0.536 44.539 45.100 -0.043 0.000 0.836 -9 G HN 0.768 nan 8.290 nan 0.000 0.517 -8 R N -1.294 119.180 120.500 -0.043 0.000 2.710 -8 R HA 0.722 5.062 4.340 0.000 0.000 0.270 -8 R C -1.441 174.813 176.300 -0.077 0.000 1.021 -8 R CA -1.052 55.014 56.100 -0.056 0.000 0.889 -8 R CB 1.525 31.792 30.300 -0.055 0.000 1.243 -8 R HN 0.439 nan 8.270 nan 0.000 0.464 -7 I N 2.921 123.433 120.570 -0.095 0.000 2.339 -7 I HA 0.345 4.515 4.170 0.000 0.000 0.290 -7 I C -0.199 175.788 176.117 -0.216 0.000 0.994 -7 I CA -1.028 60.187 61.300 -0.141 0.000 1.191 -7 I CB 1.502 39.448 38.000 -0.090 0.000 1.343 -7 I HN 0.549 nan 8.210 nan 0.000 0.458 -6 I N 6.970 127.281 120.570 -0.431 0.000 2.331 -6 I HA 0.394 4.565 4.170 0.000 0.000 0.292 -6 I C 0.227 176.113 176.117 -0.384 0.000 0.998 -6 I CA -0.553 60.444 61.300 -0.505 0.000 1.267 -6 I CB 1.087 38.500 38.000 -0.978 0.000 1.386 -6 I HN 0.326 nan 8.210 nan 0.000 0.476 -5 L N 4.714 125.823 121.223 -0.190 0.000 2.344 -5 L HA 0.465 4.806 4.340 0.000 0.000 0.272 -5 L C 0.815 177.652 176.870 -0.055 0.000 1.035 -5 L CA -0.805 53.973 54.840 -0.103 0.000 0.807 -5 L CB 1.448 43.470 42.059 -0.061 0.000 1.237 -5 L HN 0.675 nan 8.230 nan 0.000 0.442 -4 S N 0.005 115.691 115.700 -0.023 0.000 2.562 -4 S HA 0.137 4.607 4.470 0.000 0.000 0.281 -4 S C 1.031 175.627 174.600 -0.007 0.000 1.333 -4 S CA -0.192 58.010 58.200 0.004 0.000 1.052 -4 S CB 1.301 64.500 63.200 -0.001 0.000 0.884 -4 S HN 0.827 nan 8.310 nan 0.000 0.506 -3 G N 1.091 109.895 108.800 0.006 0.000 2.551 -3 G HA2 0.308 4.269 3.960 0.000 0.000 0.216 -3 G HA3 0.308 4.269 3.960 0.000 0.000 0.216 -3 G C 0.404 175.302 174.900 -0.003 0.000 1.137 -3 G CA 0.399 45.501 45.100 0.004 0.000 0.798 -3 G HN 1.236 nan 8.290 nan 0.000 0.536 -2 S N -2.271 113.423 115.700 -0.008 0.000 2.638 -2 S HA 0.728 5.199 4.470 0.000 0.000 0.274 -2 S C 0.211 174.794 174.600 -0.029 0.000 1.157 -2 S CA 0.304 58.493 58.200 -0.017 0.000 0.826 -2 S CB 1.766 64.961 63.200 -0.008 0.000 1.139 -2 S HN 1.741 nan 8.310 nan 0.000 0.474 -1 G N 1.300 110.078 108.800 -0.038 0.000 2.645 -1 G HA2 -0.108 3.853 3.960 0.000 0.000 0.239 -1 G HA3 -0.108 3.853 3.960 0.000 0.000 0.239 -1 G C 0.212 175.066 174.900 -0.076 0.000 1.331 -1 G CA -0.170 44.902 45.100 -0.047 0.000 0.890 -1 G HN 1.477 nan 8.290 nan 0.000 0.572 4 T N 2.584 117.109 114.554 -0.049 0.000 2.901 4 T HA 0.986 5.336 4.350 0.000 0.000 0.293 4 T C -0.888 173.819 174.700 0.012 0.000 1.084 4 T CA -0.580 61.520 62.100 -0.000 0.000 1.008 4 T CB 2.627 71.513 68.868 0.029 0.000 1.170 4 T HN 0.939 nan 8.240 nan 0.000 0.509 5 A N 1.313 124.158 122.820 0.042 0.000 2.572 5 A HA 0.844 5.165 4.320 0.000 0.000 0.295 5 A C -1.563 176.080 177.584 0.098 0.000 1.072 5 A CA -1.088 50.948 52.037 -0.001 0.000 0.691 5 A CB 1.148 20.130 19.000 -0.030 0.000 1.291 5 A HN 1.473 nan 8.150 nan 0.000 0.404 6 Y N -0.547 119.759 120.300 0.010 0.000 2.638 6 Y HA 0.838 5.388 4.550 0.000 0.000 0.339 6 Y C -0.056 175.852 175.900 0.013 0.000 1.084 6 Y CA -0.717 57.392 58.100 0.014 0.000 1.068 6 Y CB 1.300 39.767 38.460 0.010 0.000 1.294 6 Y HN 0.963 nan 8.280 nan 0.000 0.480 7 S N 0.922 116.731 115.700 0.182 0.000 2.501 7 S HA 0.595 5.066 4.470 0.000 0.000 0.301 7 S C -1.156 173.531 174.600 0.146 0.000 1.096 7 S CA -0.824 57.422 58.200 0.076 0.000 1.063 7 S CB 1.631 64.870 63.200 0.066 0.000 1.042 7 S HN 0.760 nan 8.310 nan 0.000 0.494 8 Q N 1.439 121.282 119.800 0.071 0.000 2.312 8 Q HA 0.373 4.713 4.340 0.000 0.000 0.263 8 Q C -0.882 175.139 176.000 0.035 0.000 0.995 8 Q CA -0.543 55.309 55.803 0.082 0.000 0.853 8 Q CB 2.116 30.900 28.738 0.078 0.000 1.300 8 Q HN 0.825 nan 8.270 nan 0.000 0.448 9 Q N 1.000 120.820 119.800 0.034 0.000 2.347 9 Q HA 0.271 4.611 4.340 0.000 0.000 0.262 9 Q C -0.149 175.855 176.000 0.006 0.000 0.980 9 Q CA -0.303 55.509 55.803 0.014 0.000 0.867 9 Q CB 1.106 29.855 28.738 0.019 0.000 1.242 9 Q HN 0.758 nan 8.270 nan 0.000 0.453 10 T N 1.011 115.560 114.554 -0.009 0.000 3.022 10 T HA 0.276 4.626 4.350 0.000 0.000 0.250 10 T C 0.456 175.145 174.700 -0.018 0.000 1.060 10 T CA -0.181 61.911 62.100 -0.012 0.000 1.013 10 T CB 0.228 69.083 68.868 -0.021 0.000 0.982 10 T HN 0.556 nan 8.240 nan 0.000 0.508 11 R N 0.172 120.659 120.500 -0.021 0.000 2.548 11 R HA 0.579 4.919 4.340 0.000 0.000 0.280 11 R C 0.065 176.353 176.300 -0.019 0.000 1.061 11 R CA -0.611 55.474 56.100 -0.024 0.000 0.915 11 R CB 1.623 31.900 30.300 -0.038 0.000 1.210 11 R HN 0.263 nan 8.270 nan 0.000 0.442 12 G N 1.745 110.536 108.800 -0.014 0.000 2.588 12 G HA2 0.118 4.078 3.960 0.000 0.000 0.278 12 G HA3 0.118 4.078 3.960 0.000 0.000 0.278 12 G C 0.444 175.336 174.900 -0.012 0.000 1.307 12 G CA -0.590 44.505 45.100 -0.009 0.000 1.016 12 G HN 0.488 nan 8.290 nan 0.000 0.503 13 L N -0.458 120.761 121.223 -0.007 0.000 2.056 13 L HA 0.018 4.359 4.340 0.000 0.000 0.207 13 L C 2.501 179.365 176.870 -0.009 0.000 1.078 13 L CA 1.461 56.297 54.840 -0.007 0.000 0.749 13 L CB -0.820 41.239 42.059 -0.000 0.000 0.901 13 L HN 0.455 nan 8.230 nan 0.000 0.433 14 L N -0.152 121.067 121.223 -0.007 0.000 2.017 14 L HA -0.011 4.330 4.340 0.000 0.000 0.208 14 L C 2.354 179.217 176.870 -0.012 0.000 1.073 14 L CA 2.139 56.975 54.840 -0.007 0.000 0.745 14 L CB -1.519 40.537 42.059 -0.005 0.000 0.894 14 L HN 0.297 nan 8.230 nan 0.000 0.432 15 G N -1.438 107.353 108.800 -0.016 0.000 2.432 15 G HA2 -0.328 3.633 3.960 0.000 0.000 0.219 15 G HA3 -0.328 3.633 3.960 0.000 0.000 0.219 15 G C 1.808 176.691 174.900 -0.029 0.000 1.135 15 G CA 0.959 46.045 45.100 -0.022 0.000 0.767 15 G HN 0.573 nan 8.290 nan 0.000 0.550 16 C N 0.706 119.989 119.300 -0.029 0.000 2.442 16 C HA -0.032 4.428 4.460 0.000 0.000 0.279 16 C C 2.833 177.803 174.990 -0.032 0.000 1.237 16 C CA 1.031 60.026 59.018 -0.037 0.000 1.722 16 C CB -0.888 26.831 27.740 -0.034 0.000 2.056 16 C HN 0.409 nan 8.230 nan 0.000 0.469 17 I N 1.282 121.839 120.570 -0.020 0.000 2.179 17 I HA -0.136 4.034 4.170 0.000 0.000 0.242 17 I C 2.547 178.655 176.117 -0.015 0.000 1.088 17 I CA 1.576 62.868 61.300 -0.014 0.000 1.357 17 I CB -1.622 36.375 38.000 -0.005 0.000 1.051 17 I HN 0.277 nan 8.210 nan 0.000 0.409 18 I N 1.415 121.976 120.570 -0.015 0.000 2.151 18 I HA -0.273 3.897 4.170 0.000 0.000 0.243 18 I C 2.599 178.702 176.117 -0.022 0.000 1.080 18 I CA 1.776 63.067 61.300 -0.015 0.000 1.339 18 I CB -1.627 36.365 38.000 -0.013 0.000 1.039 18 I HN 0.256 nan 8.210 nan 0.000 0.409 19 T N -0.187 114.348 114.554 -0.032 0.000 2.833 19 T HA -0.132 4.219 4.350 0.000 0.000 0.269 19 T C 2.071 176.742 174.700 -0.049 0.000 1.054 19 T CA 1.578 63.652 62.100 -0.044 0.000 1.135 19 T CB -0.186 68.648 68.868 -0.056 0.000 0.869 19 T HN 0.241 nan 8.240 nan 0.000 0.466 20 S N -0.019 115.656 115.700 -0.042 0.000 2.447 20 S HA 0.032 4.502 4.470 0.000 0.000 0.233 20 S C 1.535 176.119 174.600 -0.027 0.000 1.006 20 S CA 0.564 58.739 58.200 -0.040 0.000 0.957 20 S CB -0.132 63.050 63.200 -0.030 0.000 0.773 20 S HN 0.204 nan 8.310 nan 0.000 0.507 21 L N 0.541 121.753 121.223 -0.019 0.000 2.500 21 L HA 0.207 4.547 4.340 0.000 0.000 0.219 21 L C 2.625 179.489 176.870 -0.011 0.000 1.057 21 L CA 1.345 56.179 54.840 -0.009 0.000 0.854 21 L CB -0.875 41.183 42.059 -0.001 0.000 1.078 21 L HN 0.403 nan 8.230 nan 0.000 0.480 22 T N -3.486 111.058 114.554 -0.017 0.000 3.023 22 T HA 0.107 4.457 4.350 0.000 0.000 0.266 22 T C 1.575 176.259 174.700 -0.026 0.000 1.093 22 T CA 0.594 62.684 62.100 -0.017 0.000 1.129 22 T CB -0.361 68.496 68.868 -0.019 0.000 0.899 22 T HN 0.355 nan 8.240 nan 0.000 0.491 23 G N 2.014 110.791 108.800 -0.038 0.000 2.225 23 G HA2 -0.287 3.673 3.960 0.000 0.000 0.267 23 G HA3 -0.287 3.673 3.960 0.000 0.000 0.267 23 G C 0.011 174.874 174.900 -0.061 0.000 1.024 23 G CA 0.121 45.189 45.100 -0.055 0.000 0.784 23 G HN 0.700 nan 8.290 nan 0.000 0.507 24 R N 0.411 120.879 120.500 -0.053 0.000 2.320 24 R HA 0.408 4.748 4.340 0.000 0.000 0.319 24 R C -1.477 174.789 176.300 -0.055 0.000 0.969 24 R CA -0.809 55.261 56.100 -0.050 0.000 0.857 24 R CB 1.325 31.605 30.300 -0.035 0.000 1.160 24 R HN 0.147 nan 8.270 nan 0.000 0.491 25 D N 2.502 122.862 120.400 -0.067 0.000 2.471 25 D HA 0.162 4.802 4.640 0.000 0.000 0.245 25 D C 0.221 176.486 176.300 -0.058 0.000 1.116 25 D CA -0.487 53.472 54.000 -0.068 0.000 0.853 25 D CB 1.321 42.065 40.800 -0.093 0.000 1.123 25 D HN 0.141 nan 8.370 nan 0.000 0.540 26 K N 2.016 122.388 120.400 -0.045 0.000 2.379 26 K HA 0.119 4.440 4.320 0.000 0.000 0.194 26 K C 0.191 176.769 176.600 -0.036 0.000 1.031 26 K CA -0.056 56.209 56.287 -0.037 0.000 1.037 26 K CB -0.195 32.288 32.500 -0.028 0.000 0.824 26 K HN 0.477 nan 8.250 nan 0.000 0.516 27 N N 2.342 121.018 118.700 -0.040 0.000 2.412 27 N HA -0.064 4.677 4.740 0.000 0.000 0.254 27 N C 0.107 175.595 175.510 -0.036 0.000 1.232 27 N CA -0.014 53.014 53.050 -0.036 0.000 0.880 27 N CB 0.425 38.888 38.487 -0.040 0.000 1.076 27 N HN -0.031 nan 8.380 nan 0.000 0.458 28 Q N 1.823 121.607 119.800 -0.027 0.000 2.330 28 Q HA 0.035 4.376 4.340 0.000 0.000 0.279 28 Q C -0.613 175.370 176.000 -0.029 0.000 1.024 28 Q CA -0.003 55.786 55.803 -0.025 0.000 0.900 28 Q CB 0.967 29.696 28.738 -0.016 0.000 1.221 28 Q HN 0.475 nan 8.270 nan 0.000 0.396 29 V N 1.172 121.067 119.914 -0.031 0.000 2.370 29 V HA 0.554 4.674 4.120 0.000 0.000 0.279 29 V C -0.216 175.864 176.094 -0.022 0.000 1.029 29 V CA -0.525 61.754 62.300 -0.034 0.000 0.870 29 V CB 1.331 33.127 31.823 -0.044 0.000 0.984 29 V HN 0.692 nan 8.190 nan 0.000 0.451 30 E N 3.381 123.568 120.200 -0.021 0.000 2.299 30 E HA 0.837 5.187 4.350 0.000 0.000 0.260 30 E C 0.273 176.862 176.600 -0.018 0.000 0.944 30 E CA -0.339 56.053 56.400 -0.014 0.000 0.815 30 E CB 1.912 31.607 29.700 -0.010 0.000 1.252 30 E HN 1.515 nan 8.360 nan 0.000 0.418 31 G N 1.005 109.796 108.800 -0.015 0.000 2.795 31 G HA2 -0.214 3.746 3.960 0.000 0.000 0.664 31 G HA3 -0.214 3.746 3.960 0.000 0.000 0.664 31 G C 0.236 175.133 174.900 -0.004 0.000 1.381 31 G CA -0.002 45.085 45.100 -0.021 0.000 0.853 31 G HN 0.636 nan 8.290 nan 0.000 0.545 32 E N -1.417 118.783 120.200 -0.000 0.000 2.489 32 E HA 0.260 4.611 4.350 0.000 0.000 0.204 32 E C 0.629 177.251 176.600 0.037 0.000 1.006 32 E CA 0.646 57.063 56.400 0.027 0.000 0.936 32 E CB 0.908 30.628 29.700 0.033 0.000 1.002 32 E HN 0.753 nan 8.360 nan 0.000 0.488 33 V N 3.188 123.108 119.914 0.010 0.000 2.409 33 V HA 0.199 4.319 4.120 0.000 0.000 0.290 33 V C -0.590 175.501 176.094 -0.006 0.000 1.017 33 V CA -0.836 61.474 62.300 0.016 0.000 0.841 33 V CB 1.596 33.421 31.823 0.003 0.000 1.003 33 V HN 0.049 nan 8.190 nan 0.000 0.426 34 Q N 3.034 122.839 119.800 0.007 0.000 2.235 34 Q HA 0.580 4.920 4.340 0.000 0.000 0.250 34 Q C -0.435 175.540 176.000 -0.041 0.000 0.909 34 Q CA -0.544 55.243 55.803 -0.026 0.000 0.910 34 Q CB 2.506 31.225 28.738 -0.033 0.000 1.223 34 Q HN 0.491 nan 8.270 nan 0.000 0.432 35 V N 2.763 122.634 119.914 -0.072 0.000 2.407 35 V HA 0.464 4.584 4.120 0.000 0.000 0.278 35 V C 0.264 176.260 176.094 -0.163 0.000 1.037 35 V CA -0.569 61.670 62.300 -0.103 0.000 0.900 35 V CB 1.280 33.053 31.823 -0.084 0.000 0.983 35 V HN 0.603 nan 8.190 nan 0.000 0.459 36 V N 2.061 121.808 119.914 -0.279 0.000 3.074 36 V HA 0.989 5.109 4.120 0.000 0.000 0.314 36 V C -0.400 175.387 176.094 -0.512 0.000 1.117 36 V CA -0.600 61.469 62.300 -0.386 0.000 1.014 36 V CB 2.106 33.660 31.823 -0.448 0.000 1.057 36 V HN 0.800 nan 8.190 nan 0.000 0.438 37 S N 0.421 115.887 115.700 -0.390 0.000 2.537 37 S HA 0.785 5.255 4.470 0.000 0.000 0.270 37 S C -0.221 174.289 174.600 -0.150 0.000 1.142 37 S CA 0.197 58.237 58.200 -0.268 0.000 0.870 37 S CB 1.994 65.110 63.200 -0.140 0.000 1.112 37 S HN 1.704 nan 8.310 nan 0.000 0.466 38 T N 0.814 115.351 114.554 -0.028 0.000 2.923 38 T HA 0.736 5.086 4.350 0.000 0.000 0.282 38 T C 1.307 176.021 174.700 0.023 0.000 1.137 38 T CA 0.037 62.156 62.100 0.031 0.000 0.958 38 T CB 0.134 69.073 68.868 0.118 0.000 1.961 38 T HN 0.950 nan 8.240 nan 0.000 0.586 39 A N -0.055 122.786 122.820 0.035 0.000 2.218 39 A HA 0.274 4.594 4.320 0.000 0.000 0.209 39 A C 2.031 179.639 177.584 0.039 0.000 1.168 39 A CA 1.195 53.249 52.037 0.028 0.000 0.804 39 A CB -1.096 17.919 19.000 0.024 0.000 0.834 39 A HN 0.972 nan 8.150 nan 0.000 0.482 40 T N -2.308 112.282 114.554 0.060 0.000 3.311 40 T HA 0.189 4.539 4.350 0.000 0.000 0.239 40 T C 0.988 175.742 174.700 0.089 0.000 0.976 40 T CA 0.314 62.454 62.100 0.066 0.000 1.283 40 T CB -0.503 68.403 68.868 0.064 0.000 1.113 40 T HN 0.511 nan 8.240 nan 0.000 0.392 41 Q N 0.918 120.803 119.800 0.141 0.000 2.169 41 Q HA 0.761 5.102 4.340 0.000 0.000 0.234 41 Q C -0.705 175.427 176.000 0.220 0.000 0.980 41 Q CA -0.990 54.933 55.803 0.200 0.000 0.941 41 Q CB 1.412 30.300 28.738 0.250 0.000 1.199 41 Q HN 0.348 nan 8.270 nan 0.000 0.496 42 S N -0.136 115.715 115.700 0.252 0.000 2.540 42 S HA 0.805 5.275 4.470 0.000 0.000 0.275 42 S C -1.563 173.188 174.600 0.252 0.000 1.123 42 S CA -0.618 57.634 58.200 0.087 0.000 0.907 42 S CB 0.771 63.974 63.200 0.005 0.000 1.081 42 S HN 0.637 nan 8.310 nan 0.000 0.476 43 F N 1.192 121.153 119.950 0.018 0.000 3.306 43 F HA 0.702 5.229 4.527 0.000 0.000 0.326 43 F C -1.995 173.822 175.800 0.029 0.000 1.169 43 F CA -1.358 56.660 58.000 0.029 0.000 0.883 43 F CB 0.458 39.488 39.000 0.051 0.000 1.505 43 F HN 0.472 nan 8.300 nan 0.000 0.504 44 L N 1.115 122.498 121.223 0.267 0.000 2.303 44 L HA 0.957 5.297 4.340 0.000 0.000 0.266 44 L C -0.682 176.324 176.870 0.228 0.000 1.011 44 L CA -1.262 53.662 54.840 0.140 0.000 0.818 44 L CB 1.889 44.022 42.059 0.124 0.000 1.326 44 L HN 0.970 nan 8.230 nan 0.000 0.435 45 A N 0.308 123.224 122.820 0.161 0.000 2.427 45 A HA 0.756 5.076 4.320 0.000 0.000 0.298 45 A C -0.862 176.834 177.584 0.186 0.000 1.036 45 A CA -0.409 51.765 52.037 0.228 0.000 0.701 45 A CB 1.712 20.872 19.000 0.266 0.000 1.250 45 A HN 0.571 nan 8.150 nan 0.000 0.412 46 T N 1.537 116.231 114.554 0.233 0.000 2.779 46 T HA 0.414 4.765 4.350 0.000 0.000 0.280 46 T C -0.286 174.584 174.700 0.284 0.000 0.987 46 T CA -0.192 62.033 62.100 0.208 0.000 0.966 46 T CB 0.603 69.581 68.868 0.183 0.000 0.933 46 T HN 0.705 nan 8.240 nan 0.000 0.442 47 C N 3.984 123.406 119.300 0.204 0.000 2.499 47 C HA 0.657 5.117 4.460 0.000 0.000 0.386 47 C C 0.375 175.516 174.990 0.251 0.000 1.293 47 C CA -0.678 58.463 59.018 0.206 0.000 1.884 47 C CB -1.078 26.727 27.740 0.109 0.000 2.509 47 C HN 0.661 nan 8.230 nan 0.000 0.566 48 V N 3.924 124.070 119.914 0.386 0.000 2.760 48 V HA 0.460 4.580 4.120 0.000 0.000 0.309 48 V C 0.179 176.484 176.094 0.352 0.000 1.077 48 V CA -0.605 61.899 62.300 0.340 0.000 0.910 48 V CB 1.823 33.833 31.823 0.312 0.000 1.008 48 V HN 0.889 nan 8.190 nan 0.000 0.424 49 N N 3.004 121.824 118.700 0.201 0.000 2.714 49 N HA -0.212 4.528 4.740 0.000 0.000 0.252 49 N C 1.056 176.655 175.510 0.147 0.000 1.014 49 N CA 1.955 55.101 53.050 0.160 0.000 0.735 49 N CB -1.009 37.579 38.487 0.169 0.000 0.924 49 N HN 1.924 nan 8.380 nan 0.000 0.540 50 G N -2.799 106.065 108.800 0.108 0.000 2.184 50 G HA2 -0.263 3.697 3.960 0.000 0.000 0.264 50 G HA3 -0.263 3.697 3.960 0.000 0.000 0.264 50 G C -0.025 174.881 174.900 0.010 0.000 0.975 50 G CA 0.469 45.605 45.100 0.059 0.000 0.642 50 G HN 0.859 nan 8.290 nan 0.000 0.536 51 V N 0.422 120.318 119.914 -0.029 0.000 2.495 51 V HA 0.558 4.679 4.120 0.000 0.000 0.298 51 V C 0.711 176.556 176.094 -0.414 0.000 1.031 51 V CA -0.528 61.572 62.300 -0.333 0.000 0.871 51 V CB 1.760 33.127 31.823 -0.760 0.000 0.988 51 V HN 0.615 nan 8.190 nan 0.000 0.432 52 C N 6.593 125.741 119.300 -0.253 0.000 2.322 52 C HA 0.560 5.021 4.460 0.000 0.000 0.343 52 C C -0.504 174.485 174.990 -0.003 0.000 1.190 52 C CA -0.832 58.178 59.018 -0.013 0.000 1.704 52 C CB -1.461 26.366 27.740 0.145 0.000 2.293 52 C HN 0.811 nan 8.230 nan 0.000 0.523 53 W N 4.448 125.846 121.300 0.164 0.000 2.570 53 W HA 0.654 5.315 4.660 0.001 0.000 0.337 53 W C 0.569 177.161 176.519 0.122 0.000 1.067 53 W CA -0.302 57.097 57.345 0.089 0.000 1.229 53 W CB 1.723 31.211 29.460 0.048 0.000 1.355 53 W HN 0.687 nan 8.180 nan 0.000 0.555 54 T N -0.011 114.736 114.554 0.322 0.000 2.645 54 T HA 0.542 4.892 4.350 0.000 0.000 0.300 54 T C -1.247 173.514 174.700 0.102 0.000 1.210 54 T CA -0.651 61.604 62.100 0.258 0.000 1.034 54 T CB 0.483 69.600 68.868 0.415 0.000 1.537 54 T HN 0.434 nan 8.240 nan 0.000 0.492 55 V N 1.567 121.456 119.914 -0.042 0.000 2.617 55 V HA 0.533 4.654 4.120 0.000 0.000 0.298 55 V C 0.987 176.934 176.094 -0.246 0.000 1.048 55 V CA -0.496 61.669 62.300 -0.225 0.000 0.964 55 V CB 0.876 32.355 31.823 -0.574 0.000 1.004 55 V HN 0.921 nan 8.190 nan 0.000 0.466 56 Y N 3.742 123.904 120.300 -0.231 0.000 2.224 56 Y HA -0.195 4.355 4.550 0.000 0.000 0.289 56 Y C 2.570 178.363 175.900 -0.179 0.000 1.146 56 Y CA 2.432 60.437 58.100 -0.159 0.000 1.182 56 Y CB -0.360 38.048 38.460 -0.086 0.000 0.983 56 Y HN 0.931 nan 8.280 nan 0.000 0.524 57 H N -2.562 116.409 119.070 -0.164 0.000 2.521 57 H HA 0.031 4.587 4.556 0.000 0.000 0.286 57 H C 1.975 177.077 175.328 -0.376 0.000 1.034 57 H CA 1.103 56.998 56.048 -0.254 0.000 1.278 57 H CB -0.454 29.216 29.762 -0.153 0.000 1.386 57 H HN 0.443 nan 8.280 nan 0.000 0.567 58 G N 0.454 108.783 108.800 -0.785 0.000 2.497 58 G HA2 0.119 4.080 3.960 0.000 0.000 0.210 58 G HA3 0.119 4.080 3.960 0.000 0.000 0.210 58 G C 1.828 176.428 174.900 -0.499 0.000 1.177 58 G CA 0.554 45.041 45.100 -1.023 0.000 0.822 58 G HN 0.533 nan 8.290 nan 0.000 0.550 59 A N -0.099 122.572 122.820 -0.247 0.000 2.081 59 A HA 0.494 4.815 4.320 0.000 0.000 0.214 59 A C 1.939 179.496 177.584 -0.044 0.000 1.158 59 A CA 1.480 53.607 52.037 0.151 0.000 0.724 59 A CB -0.753 18.461 19.000 0.356 0.000 0.826 59 A HN 1.669 nan 8.150 nan 0.000 0.463 60 G N -0.495 108.066 108.800 -0.399 0.000 2.582 60 G HA2 -0.284 3.676 3.960 0.000 0.000 0.288 60 G HA3 -0.284 3.676 3.960 0.000 0.000 0.288 60 G C 0.561 175.393 174.900 -0.114 0.000 1.247 60 G CA 0.437 45.178 45.100 -0.598 0.000 0.972 60 G HN 0.915 nan 8.290 nan 0.000 0.557 61 S N 1.016 116.754 115.700 0.063 0.000 2.561 61 S HA 0.293 4.763 4.470 0.000 0.000 0.245 61 S C 0.624 175.303 174.600 0.133 0.000 1.001 61 S CA 0.067 58.348 58.200 0.135 0.000 1.002 61 S CB 0.328 63.614 63.200 0.143 0.000 0.805 61 S HN 0.583 nan 8.310 nan 0.000 0.458 62 K N 2.948 123.452 120.400 0.174 0.000 2.355 62 K HA 0.180 4.500 4.320 0.000 0.000 0.270 62 K C 0.910 177.728 176.600 0.363 0.000 1.003 62 K CA -0.072 56.342 56.287 0.212 0.000 0.957 62 K CB 0.351 32.963 32.500 0.187 0.000 0.939 62 K HN 0.346 nan 8.250 nan 0.000 0.482 63 T N -0.393 114.296 114.554 0.225 0.000 2.813 63 T HA 0.242 4.592 4.350 0.000 0.000 0.297 63 T C -0.176 174.495 174.700 -0.049 0.000 1.036 63 T CA -0.890 61.325 62.100 0.191 0.000 1.044 63 T CB 0.574 69.477 68.868 0.059 0.000 0.993 63 T HN 0.326 nan 8.240 nan 0.000 0.535 64 L N 1.638 122.606 121.223 -0.426 0.000 2.313 64 L HA 0.709 5.049 4.340 0.000 0.000 0.283 64 L C 0.188 176.811 176.870 -0.413 0.000 1.013 64 L CA -0.785 53.596 54.840 -0.766 0.000 0.816 64 L CB 0.649 41.751 42.059 -1.595 0.000 1.236 64 L HN 1.014 nan 8.230 nan 0.000 0.419 65 A N 3.693 126.331 122.820 -0.304 0.000 2.520 65 A HA 0.567 4.888 4.320 0.000 0.000 0.245 65 A C 0.480 177.948 177.584 -0.192 0.000 1.072 65 A CA 0.651 52.571 52.037 -0.194 0.000 0.761 65 A CB -0.640 18.269 19.000 -0.151 0.000 1.004 65 A HN 1.057 nan 8.150 nan 0.000 0.499 66 G N 1.719 110.435 108.800 -0.139 0.000 2.949 66 G HA2 0.589 4.549 3.960 0.000 0.000 0.285 66 G HA3 0.589 4.549 3.960 0.000 0.000 0.285 66 G C -2.313 172.540 174.900 -0.077 0.000 1.395 66 G CA -1.061 43.970 45.100 -0.115 0.000 0.901 66 G HN 0.313 nan 8.290 nan 0.000 0.519 67 P HA -0.098 nan 4.420 nan 0.000 0.213 67 P C 1.348 178.625 177.300 -0.037 0.000 1.170 67 P CA 1.756 64.829 63.100 -0.046 0.000 0.902 67 P CB 0.197 31.874 31.700 -0.039 0.000 0.789 68 K N -1.934 118.446 120.400 -0.035 0.000 2.314 68 K HA 0.361 4.681 4.320 0.000 0.000 0.198 68 K C 1.184 177.767 176.600 -0.027 0.000 1.045 68 K CA 0.638 56.909 56.287 -0.026 0.000 0.988 68 K CB -0.076 32.412 32.500 -0.020 0.000 0.783 68 K HN 0.266 nan 8.250 nan 0.000 0.484 69 G N -0.075 108.703 108.800 -0.037 0.000 2.356 69 G HA2 0.056 4.016 3.960 0.000 0.000 0.288 69 G HA3 0.056 4.016 3.960 0.000 0.000 0.288 69 G C -3.074 171.796 174.900 -0.049 0.000 1.302 69 G CA -1.323 43.755 45.100 -0.037 0.000 0.887 69 G HN -0.290 nan 8.290 nan 0.000 0.521 70 P HA 0.373 nan 4.420 nan 0.000 0.265 70 P C -0.231 177.042 177.300 -0.044 0.000 1.193 70 P CA 0.158 63.224 63.100 -0.056 0.000 0.765 70 P CB 0.408 32.091 31.700 -0.028 0.000 0.823 71 I N 2.568 123.091 120.570 -0.078 0.000 2.315 71 I HA 0.186 4.356 4.170 0.000 0.000 0.291 71 I C 1.013 177.188 176.117 0.096 0.000 1.006 71 I CA -0.460 60.826 61.300 -0.022 0.000 1.265 71 I CB 1.091 39.045 38.000 -0.076 0.000 1.387 71 I HN 0.299 nan 8.210 nan 0.000 0.475 72 T N 2.552 117.177 114.554 0.118 0.000 2.913 72 T HA 0.232 4.582 4.350 0.000 0.000 0.297 72 T C 0.043 174.869 174.700 0.209 0.000 1.029 72 T CA -0.816 61.376 62.100 0.152 0.000 1.104 72 T CB 0.729 69.630 68.868 0.055 0.000 0.964 72 T HN 0.516 nan 8.240 nan 0.000 0.532 73 Q N 1.650 121.528 119.800 0.130 0.000 2.361 73 Q HA 0.133 4.473 4.340 0.000 0.000 0.276 73 Q C 1.000 176.840 176.000 -0.268 0.000 1.022 73 Q CA -0.140 55.538 55.803 -0.209 0.000 0.898 73 Q CB 0.734 29.249 28.738 -0.371 0.000 1.246 73 Q HN 0.786 nan 8.270 nan 0.000 0.410 74 M N 1.944 121.296 119.600 -0.414 0.000 2.466 74 M HA 0.048 4.528 4.480 0.000 0.000 0.265 74 M C -0.817 174.956 176.300 -0.878 0.000 1.122 74 M CA 0.926 55.832 55.300 -0.657 0.000 1.157 74 M CB 0.732 32.862 32.600 -0.783 0.000 1.352 74 M HN 0.551 nan 8.290 nan 0.000 0.464 75 Y N -0.773 119.366 120.300 -0.268 0.000 2.442 75 Y HA 0.436 4.986 4.550 0.000 0.000 0.344 75 Y C -0.744 175.051 175.900 -0.174 0.000 0.976 75 Y CA -1.160 56.838 58.100 -0.171 0.000 1.040 75 Y CB 1.865 40.301 38.460 -0.039 0.000 1.228 75 Y HN -0.236 nan 8.280 nan 0.000 0.451 76 T N 2.672 117.228 114.554 0.003 0.000 3.038 76 T HA 0.177 4.527 4.350 0.000 0.000 0.344 76 T C -0.963 173.681 174.700 -0.092 0.000 1.054 76 T CA -0.781 61.284 62.100 -0.059 0.000 1.092 76 T CB 0.081 68.896 68.868 -0.088 0.000 1.031 76 T HN 0.475 nan 8.240 nan 0.000 0.482 77 N N 3.309 121.958 118.700 -0.084 0.000 2.800 77 N HA 0.211 4.952 4.740 0.000 0.000 0.240 77 N C 1.058 176.451 175.510 -0.196 0.000 1.096 77 N CA -0.486 52.498 53.050 -0.110 0.000 0.877 77 N CB 0.773 39.233 38.487 -0.046 0.000 1.138 77 N HN 0.243 nan 8.380 nan 0.000 0.509 78 V N 1.658 121.369 119.914 -0.338 0.000 2.407 78 V HA -0.198 3.922 4.120 0.000 0.000 0.248 78 V C 1.474 177.443 176.094 -0.208 0.000 1.055 78 V CA 1.534 63.558 62.300 -0.460 0.000 1.049 78 V CB -0.237 31.226 31.823 -0.600 0.000 0.662 78 V HN 0.517 nan 8.190 nan 0.000 0.455 79 D N -0.175 120.133 120.400 -0.154 0.000 2.133 79 D HA -0.164 4.477 4.640 0.000 0.000 0.195 79 D C 2.095 178.345 176.300 -0.082 0.000 0.997 79 D CA 1.187 55.128 54.000 -0.098 0.000 0.840 79 D CB -0.175 40.574 40.800 -0.085 0.000 0.947 79 D HN 0.416 nan 8.370 nan 0.000 0.452 80 Q N 0.294 120.042 119.800 -0.087 0.000 2.280 80 Q HA 0.006 4.346 4.340 0.000 0.000 0.201 80 Q C -0.183 175.783 176.000 -0.056 0.000 0.890 80 Q CA 0.015 55.771 55.803 -0.079 0.000 0.947 80 Q CB 0.538 29.219 28.738 -0.094 0.000 1.081 80 Q HN 0.171 nan 8.270 nan 0.000 0.502 81 D N 0.187 120.565 120.400 -0.036 0.000 2.837 81 D HA -0.204 4.436 4.640 0.000 0.000 0.230 81 D C -1.205 175.113 176.300 0.030 0.000 1.152 81 D CA 0.405 54.424 54.000 0.033 0.000 0.736 81 D CB -0.990 39.844 40.800 0.056 0.000 1.084 81 D HN 0.214 nan 8.370 nan 0.000 0.429 82 L N -0.031 121.201 121.223 0.014 0.000 2.385 82 L HA 0.723 5.063 4.340 0.000 0.000 0.273 82 L C -0.681 176.249 176.870 0.101 0.000 0.990 82 L CA -0.780 54.087 54.840 0.045 0.000 0.821 82 L CB 2.006 44.053 42.059 -0.021 0.000 1.279 82 L HN 0.028 nan 8.230 nan 0.000 0.412 83 V N 1.266 121.254 119.914 0.123 0.000 3.102 83 V HA 1.106 5.227 4.120 0.000 0.000 0.312 83 V C -0.435 175.628 176.094 -0.052 0.000 1.135 83 V CA -0.000 62.296 62.300 -0.006 0.000 1.022 83 V CB 1.671 33.378 31.823 -0.194 0.000 1.056 83 V HN 1.046 nan 8.190 nan 0.000 0.436 84 G N 1.203 109.777 108.800 -0.377 0.000 2.766 84 G HA2 0.576 4.537 3.960 0.000 0.000 0.297 84 G HA3 0.576 4.537 3.960 0.000 0.000 0.297 84 G C -1.644 172.870 174.900 -0.644 0.000 1.431 84 G CA -0.557 44.187 45.100 -0.594 0.000 1.042 84 G HN 0.765 nan 8.290 nan 0.000 0.542 85 W N 1.004 122.155 121.300 -0.248 0.000 2.627 85 W HA 0.376 5.036 4.660 0.000 0.000 0.339 85 W C 0.201 176.575 176.519 -0.242 0.000 1.058 85 W CA -0.824 56.395 57.345 -0.210 0.000 1.223 85 W CB 1.509 30.890 29.460 -0.132 0.000 1.389 85 W HN 0.423 nan 8.180 nan 0.000 0.541 86 Q N 1.471 121.282 119.800 0.018 0.000 2.263 86 Q HA 0.207 4.547 4.340 0.000 0.000 0.289 86 Q C 0.451 176.456 176.000 0.009 0.000 1.061 86 Q CA 0.129 55.918 55.803 -0.024 0.000 0.927 86 Q CB 0.576 29.298 28.738 -0.027 0.000 1.154 86 Q HN 0.393 nan 8.270 nan 0.000 0.378 87 A N 5.646 128.458 122.820 -0.012 0.000 2.546 87 A HA 0.206 4.526 4.320 0.000 0.000 0.243 87 A C -1.982 175.595 177.584 -0.011 0.000 1.063 87 A CA -1.038 50.998 52.037 -0.003 0.000 0.757 87 A CB -0.342 18.659 19.000 0.001 0.000 0.991 87 A HN 0.452 nan 8.150 nan 0.000 0.503 88 P HA 0.172 nan 4.420 nan 0.000 0.268 88 P C -2.401 174.886 177.300 -0.022 0.000 1.208 88 P CA -0.782 62.297 63.100 -0.036 0.000 0.777 88 P CB -0.204 31.461 31.700 -0.059 0.000 0.875 89 P HA 0.011 nan 4.420 nan 0.000 0.265 89 P C 0.876 178.168 177.300 -0.013 0.000 1.193 89 P CA 0.908 64.001 63.100 -0.013 0.000 0.765 89 P CB 0.326 32.019 31.700 -0.013 0.000 0.823 90 G N 1.642 110.437 108.800 -0.007 0.000 2.345 90 G HA2 -0.179 3.782 3.960 0.000 0.000 0.218 90 G HA3 -0.179 3.782 3.960 0.000 0.000 0.218 90 G C 0.391 175.289 174.900 -0.003 0.000 1.058 90 G CA 0.089 45.185 45.100 -0.006 0.000 0.632 90 G HN 0.868 nan 8.290 nan 0.000 0.508 91 A N 1.319 124.136 122.820 -0.005 0.000 2.445 91 A HA 0.641 4.961 4.320 0.000 0.000 0.242 91 A C 0.817 178.408 177.584 0.012 0.000 1.075 91 A CA 1.121 53.159 52.037 0.002 0.000 0.777 91 A CB 0.050 19.051 19.000 0.001 0.000 1.013 91 A HN 1.289 nan 8.150 nan 0.000 0.493 92 R N 1.062 121.573 120.500 0.018 0.000 2.854 92 R HA 0.741 5.082 4.340 0.000 0.000 0.271 92 R C -0.801 175.525 176.300 0.042 0.000 0.996 92 R CA -0.617 55.499 56.100 0.027 0.000 0.961 92 R CB 1.388 31.701 30.300 0.021 0.000 1.182 92 R HN 0.446 nan 8.270 nan 0.000 0.479 93 S N 1.154 116.885 115.700 0.051 0.000 2.608 93 S HA 0.411 4.881 4.470 0.000 0.000 0.291 93 S C 0.116 174.757 174.600 0.067 0.000 1.146 93 S CA -0.870 57.374 58.200 0.075 0.000 1.043 93 S CB 0.901 64.151 63.200 0.084 0.000 1.037 93 S HN 0.338 nan 8.310 nan 0.000 0.520 94 L N 1.622 122.894 121.223 0.081 0.000 2.418 94 L HA 0.355 4.696 4.340 0.000 0.000 0.265 94 L C 0.998 177.902 176.870 0.056 0.000 1.143 94 L CA -0.363 54.520 54.840 0.071 0.000 0.809 94 L CB 0.681 42.786 42.059 0.078 0.000 1.124 94 L HN 0.523 nan 8.230 nan 0.000 0.456 95 T N 2.613 117.191 114.554 0.040 0.000 2.806 95 T HA 0.358 4.708 4.350 0.000 0.000 0.290 95 T C -2.411 172.247 174.700 -0.070 0.000 0.966 95 T CA -1.655 60.423 62.100 -0.036 0.000 1.060 95 T CB 1.151 69.959 68.868 -0.101 0.000 0.927 95 T HN 0.238 nan 8.240 nan 0.000 0.485 96 P HA 0.145 nan 4.420 nan 0.000 0.269 96 P C -0.385 176.846 177.300 -0.114 0.000 1.209 96 P CA -0.537 62.526 63.100 -0.060 0.000 0.776 96 P CB 0.272 31.940 31.700 -0.054 0.000 0.876 97 C N 3.189 122.513 119.300 0.040 0.000 2.499 97 C HA 0.347 4.807 4.460 0.000 0.000 0.386 97 C C 1.395 176.433 174.990 0.080 0.000 1.293 97 C CA 0.630 59.747 59.018 0.165 0.000 1.884 97 C CB -1.252 26.601 27.740 0.187 0.000 2.509 97 C HN 0.755 nan 8.230 nan 0.000 0.566 98 T N 0.793 115.405 114.554 0.096 0.000 3.058 98 T HA 0.040 4.390 4.350 0.000 0.000 0.278 98 T C 1.121 175.866 174.700 0.074 0.000 0.974 98 T CA 0.521 62.650 62.100 0.048 0.000 0.893 98 T CB -0.884 67.981 68.868 -0.004 0.000 1.138 98 T HN 0.972 nan 8.240 nan 0.000 0.529 99 C N 1.086 120.458 119.300 0.120 0.000 2.562 99 C HA 0.610 5.070 4.460 0.000 0.000 0.266 99 C C 2.315 177.341 174.990 0.059 0.000 1.382 99 C CA -0.223 58.846 59.018 0.085 0.000 1.742 99 C CB -1.606 26.185 27.740 0.086 0.000 1.812 99 C HN 0.815 nan 8.230 nan 0.000 0.559 100 G N 1.655 110.491 108.800 0.061 0.000 2.258 100 G HA2 -0.260 3.700 3.960 0.000 0.000 0.274 100 G HA3 -0.260 3.700 3.960 0.000 0.000 0.274 100 G C 0.228 175.152 174.900 0.039 0.000 1.021 100 G CA 0.778 45.906 45.100 0.046 0.000 0.798 100 G HN 1.070 nan 8.290 nan 0.000 0.507 101 S N -0.979 114.745 115.700 0.039 0.000 2.568 101 S HA 0.458 4.928 4.470 0.000 0.000 0.282 101 S C 1.448 176.060 174.600 0.020 0.000 1.338 101 S CA 0.714 58.930 58.200 0.028 0.000 1.045 101 S CB 0.706 63.923 63.200 0.028 0.000 0.873 101 S HN 0.606 nan 8.310 nan 0.000 0.516 102 S N 2.212 117.918 115.700 0.010 0.000 2.593 102 S HA 0.224 4.695 4.470 0.000 0.000 0.236 102 S C -0.970 173.610 174.600 -0.033 0.000 0.991 102 S CA -0.472 57.728 58.200 0.000 0.000 0.963 102 S CB 0.082 63.287 63.200 0.008 0.000 0.865 102 S HN 0.677 nan 8.310 nan 0.000 0.488 103 D N 2.082 122.459 120.400 -0.038 0.000 2.427 103 D HA 0.500 5.141 4.640 0.000 0.000 0.226 103 D C -0.445 175.758 176.300 -0.161 0.000 1.076 103 D CA -0.044 53.894 54.000 -0.104 0.000 0.849 103 D CB 0.881 41.666 40.800 -0.024 0.000 1.052 103 D HN 0.182 nan 8.370 nan 0.000 0.515 104 L N 1.632 122.646 121.223 -0.348 0.000 2.303 104 L HA 0.577 4.918 4.340 0.000 0.000 0.266 104 L C -0.909 175.571 176.870 -0.650 0.000 1.011 104 L CA -1.153 53.507 54.840 -0.301 0.000 0.818 104 L CB 1.427 43.356 42.059 -0.216 0.000 1.326 104 L HN 0.253 nan 8.230 nan 0.000 0.435 105 Y N 1.268 121.519 120.300 -0.080 0.000 2.322 105 Y HA 0.397 4.947 4.550 0.000 0.000 0.324 105 Y C -0.512 175.341 175.900 -0.078 0.000 1.027 105 Y CA -0.669 57.392 58.100 -0.065 0.000 1.179 105 Y CB 1.901 40.332 38.460 -0.049 0.000 1.136 105 Y HN 0.270 nan 8.280 nan 0.000 0.449 106 L N 4.708 125.931 121.223 0.000 0.000 2.319 106 L HA 0.569 4.910 4.340 0.000 0.000 0.280 106 L C -0.859 176.003 176.870 -0.013 0.000 1.099 106 L CA -0.264 54.550 54.840 -0.044 0.000 0.828 106 L CB 0.686 42.670 42.059 -0.125 0.000 1.150 106 L HN 0.421 nan 8.230 nan 0.000 0.442 107 V N 4.906 124.810 119.914 -0.016 0.000 2.383 107 V HA 0.446 4.567 4.120 0.000 0.000 0.275 107 V C 0.666 176.730 176.094 -0.050 0.000 1.036 107 V CA -0.160 62.131 62.300 -0.014 0.000 0.889 107 V CB 1.011 32.832 31.823 -0.004 0.000 0.985 107 V HN 0.975 nan 8.190 nan 0.000 0.459 108 T N 2.196 116.710 114.554 -0.067 0.000 2.884 108 T HA 0.368 4.718 4.350 0.000 0.000 0.277 108 T C 1.104 175.727 174.700 -0.127 0.000 0.976 108 T CA -0.470 61.553 62.100 -0.127 0.000 0.956 108 T CB 0.988 69.742 68.868 -0.189 0.000 1.113 108 T HN 0.705 nan 8.240 nan 0.000 0.554 109 R N -0.597 119.771 120.500 -0.219 0.000 2.280 109 R HA 0.028 4.368 4.340 0.000 0.000 0.207 109 R C 1.006 177.101 176.300 -0.341 0.000 1.043 109 R CA 0.998 56.932 56.100 -0.278 0.000 1.006 109 R CB -0.470 29.617 30.300 -0.355 0.000 0.885 109 R HN 0.660 nan 8.270 nan 0.000 0.467 110 H N 0.208 119.239 119.070 -0.066 0.000 2.505 110 H HA 0.396 4.952 4.556 0.000 0.000 0.289 110 H C 0.620 175.940 175.328 -0.014 0.000 1.052 110 H CA 0.108 56.131 56.048 -0.041 0.000 1.156 110 H CB 1.076 30.799 29.762 -0.064 0.000 1.507 110 H HN 0.397 nan 8.280 nan 0.000 0.548 111 A N 0.697 123.543 122.820 0.044 0.000 2.952 111 A HA -0.195 4.125 4.320 0.000 0.000 0.252 111 A C -0.117 177.504 177.584 0.062 0.000 1.323 111 A CA 0.815 52.877 52.037 0.042 0.000 0.957 111 A CB -1.765 17.274 19.000 0.065 0.000 1.130 111 A HN 0.347 nan 8.150 nan 0.000 0.799 112 D N -0.545 119.897 120.400 0.071 0.000 2.341 112 D HA 0.453 5.094 4.640 0.000 0.000 0.245 112 D C 0.103 176.449 176.300 0.076 0.000 1.106 112 D CA 0.181 54.239 54.000 0.097 0.000 0.905 112 D CB 1.400 42.300 40.800 0.167 0.000 1.202 112 D HN 0.271 nan 8.370 nan 0.000 0.426 113 V N 3.064 123.032 119.914 0.090 0.000 2.326 113 V HA 0.284 4.404 4.120 0.000 0.000 0.281 113 V C 0.209 176.385 176.094 0.136 0.000 1.015 113 V CA -0.586 61.774 62.300 0.100 0.000 0.823 113 V CB 0.815 32.687 31.823 0.081 0.000 1.009 113 V HN 0.349 nan 8.190 nan 0.000 0.436 114 I N 8.209 128.844 120.570 0.107 0.000 2.307 114 I HA 0.353 4.523 4.170 0.000 0.000 0.289 114 I C -2.059 174.057 176.117 -0.002 0.000 1.021 114 I CA -2.041 59.298 61.300 0.065 0.000 1.224 114 I CB 2.124 40.151 38.000 0.045 0.000 1.376 114 I HN 0.386 nan 8.210 nan 0.000 0.470 115 P HA 0.082 nan 4.420 nan 0.000 0.265 115 P C -0.783 176.373 177.300 -0.241 0.000 1.193 115 P CA 0.095 63.023 63.100 -0.285 0.000 0.765 115 P CB 1.087 32.688 31.700 -0.164 0.000 0.823 116 V N 3.780 123.495 119.914 -0.331 0.000 2.808 116 V HA 0.390 4.510 4.120 0.000 0.000 0.308 116 V C 0.039 176.025 176.094 -0.181 0.000 1.099 116 V CA -0.815 61.374 62.300 -0.185 0.000 0.920 116 V CB 2.426 34.168 31.823 -0.135 0.000 1.014 116 V HN 0.419 nan 8.190 nan 0.000 0.425 117 R N 3.515 123.959 120.500 -0.094 0.000 2.207 117 R HA 0.421 4.761 4.340 0.000 0.000 0.334 117 R C -0.008 176.288 176.300 -0.005 0.000 1.013 117 R CA -0.408 55.654 56.100 -0.063 0.000 0.858 117 R CB 0.506 30.779 30.300 -0.044 0.000 1.094 117 R HN 0.727 nan 8.270 nan 0.000 0.457 118 R N 3.360 123.864 120.500 0.006 0.000 2.502 118 R HA -0.002 4.338 4.340 0.000 0.000 0.292 118 R C 0.040 176.379 176.300 0.064 0.000 0.998 118 R CA 0.332 56.477 56.100 0.075 0.000 1.056 118 R CB 0.532 30.877 30.300 0.075 0.000 0.939 118 R HN 0.609 nan 8.270 nan 0.000 0.411 119 R N 2.244 122.792 120.500 0.081 0.000 2.342 119 R HA 0.246 4.586 4.340 0.000 0.000 0.204 119 R C 0.560 176.878 176.300 0.030 0.000 0.882 119 R CA 0.645 56.770 56.100 0.042 0.000 1.041 119 R CB 1.111 31.430 30.300 0.031 0.000 1.188 119 R HN 0.763 nan 8.270 nan 0.000 0.598 120 G N -0.499 108.322 108.800 0.035 0.000 2.870 120 G HA2 0.204 4.164 3.960 0.000 0.000 0.299 120 G HA3 0.204 4.164 3.960 0.000 0.000 0.299 120 G C -0.393 174.507 174.900 0.000 0.000 1.324 120 G CA -0.400 44.698 45.100 -0.003 0.000 0.808 120 G HN -0.166 nan 8.290 nan 0.000 0.535 121 D N -0.308 120.063 120.400 -0.048 0.000 2.264 121 D HA -0.073 4.567 4.640 0.000 0.000 0.208 121 D C 1.787 177.967 176.300 -0.199 0.000 0.966 121 D CA 1.885 55.855 54.000 -0.050 0.000 0.864 121 D CB 0.260 41.024 40.800 -0.061 0.000 0.933 121 D HN 0.367 nan 8.370 nan 0.000 0.499 122 S N -0.983 114.436 115.700 -0.468 0.000 2.993 122 S HA 0.236 4.706 4.470 0.000 0.000 0.257 122 S C 0.423 174.305 174.600 -1.197 0.000 0.997 122 S CA -0.680 56.825 58.200 -1.158 0.000 1.191 122 S CB 1.155 63.985 63.200 -0.617 0.000 1.143 122 S HN -0.096 nan 8.310 nan 0.000 0.655 123 R N 0.787 120.979 120.500 -0.514 0.000 2.807 123 R HA 0.835 5.176 4.340 0.000 0.000 0.276 123 R C -0.394 176.045 176.300 0.231 0.000 0.979 123 R CA -0.204 55.832 56.100 -0.106 0.000 0.928 123 R CB 1.818 32.078 30.300 -0.066 0.000 1.191 123 R HN 0.363 nan 8.270 nan 0.000 0.471 124 G N 0.054 109.013 108.800 0.265 0.000 2.746 124 G HA2 0.361 4.321 3.960 0.000 0.000 0.297 124 G HA3 0.361 4.321 3.960 0.000 0.000 0.297 124 G C -1.092 173.874 174.900 0.110 0.000 1.426 124 G CA -0.487 44.732 45.100 0.198 0.000 0.989 124 G HN 0.491 nan 8.290 nan 0.000 0.520 125 S N 1.031 116.763 115.700 0.053 0.000 2.554 125 S HA 0.644 5.114 4.470 0.000 0.000 0.278 125 S C 0.165 174.766 174.600 0.003 0.000 1.242 125 S CA -0.755 57.461 58.200 0.026 0.000 1.051 125 S CB 1.452 64.657 63.200 0.008 0.000 0.986 125 S HN 0.549 nan 8.310 nan 0.000 0.502 126 L N 2.895 124.119 121.223 0.001 0.000 2.380 126 L HA 0.161 4.501 4.340 0.000 0.000 0.273 126 L C 0.844 177.695 176.870 -0.032 0.000 1.138 126 L CA -0.781 54.047 54.840 -0.021 0.000 0.832 126 L CB 0.366 42.417 42.059 -0.013 0.000 1.124 126 L HN 0.649 nan 8.230 nan 0.000 0.454 127 L N 1.633 122.828 121.223 -0.047 0.000 2.093 127 L HA -0.054 4.286 4.340 0.000 0.000 0.208 127 L C 0.929 177.775 176.870 -0.040 0.000 1.085 127 L CA 1.349 56.163 54.840 -0.043 0.000 0.755 127 L CB -0.355 41.675 42.059 -0.048 0.000 0.904 127 L HN 0.511 nan 8.230 nan 0.000 0.435 128 S N -0.092 115.580 115.700 -0.047 0.000 2.577 128 S HA 0.420 4.890 4.470 0.000 0.000 0.294 128 S C -2.354 172.206 174.600 -0.067 0.000 1.161 128 S CA -1.151 57.015 58.200 -0.056 0.000 1.143 128 S CB 1.064 64.224 63.200 -0.067 0.000 0.991 128 S HN -0.070 nan 8.310 nan 0.000 0.475 129 P HA 0.188 nan 4.420 nan 0.000 0.266 129 P C -0.250 177.005 177.300 -0.075 0.000 1.193 129 P CA 0.047 63.118 63.100 -0.048 0.000 0.770 129 P CB 0.519 32.197 31.700 -0.036 0.000 0.836 130 R N 2.672 123.131 120.500 -0.068 0.000 2.771 130 R HA 0.467 4.808 4.340 0.000 0.000 0.274 130 R C -2.587 173.702 176.300 -0.019 0.000 0.987 130 R CA -2.243 53.794 56.100 -0.107 0.000 0.908 130 R CB 1.492 31.646 30.300 -0.243 0.000 1.213 130 R HN 0.317 nan 8.270 nan 0.000 0.468 131 P HA -0.077 nan 4.420 nan 0.000 0.266 131 P C 0.990 178.357 177.300 0.112 0.000 1.193 131 P CA 0.028 63.158 63.100 0.050 0.000 0.770 131 P CB 0.537 32.270 31.700 0.054 0.000 0.836 132 V N 1.394 121.369 119.914 0.102 0.000 2.332 132 V HA -0.263 3.857 4.120 0.000 0.000 0.248 132 V C 2.501 178.691 176.094 0.160 0.000 1.055 132 V CA 2.454 64.833 62.300 0.130 0.000 1.038 132 V CB -2.409 29.476 31.823 0.103 0.000 0.651 132 V HN 0.680 nan 8.190 nan 0.000 0.450 133 S N -0.174 115.611 115.700 0.141 0.000 2.462 133 S HA -0.301 4.169 4.470 0.000 0.000 0.243 133 S C 1.885 176.589 174.600 0.174 0.000 1.003 133 S CA 1.799 60.082 58.200 0.138 0.000 0.970 133 S CB -1.054 62.215 63.200 0.115 0.000 0.762 133 S HN 0.751 nan 8.310 nan 0.000 0.510 134 Y N 1.547 121.890 120.300 0.073 0.000 2.395 134 Y HA 0.300 4.850 4.550 0.000 0.000 0.293 134 Y C 1.647 177.596 175.900 0.080 0.000 1.123 134 Y CA 0.877 59.023 58.100 0.076 0.000 1.227 134 Y CB -0.015 38.473 38.460 0.047 0.000 1.012 134 Y HN 0.244 nan 8.280 nan 0.000 0.552 135 L N 0.204 121.499 121.223 0.121 0.000 2.607 135 L HA 0.115 4.455 4.340 0.000 0.000 0.228 135 L C 0.315 177.256 176.870 0.119 0.000 1.123 135 L CA -0.155 54.714 54.840 0.047 0.000 0.890 135 L CB -0.087 42.060 42.059 0.147 0.000 1.103 135 L HN -0.177 nan 8.230 nan 0.000 0.468 136 K N 0.861 121.325 120.400 0.106 0.000 2.451 136 K HA 0.283 4.604 4.320 0.000 0.000 0.280 136 K C 1.096 177.752 176.600 0.093 0.000 1.020 136 K CA 0.926 57.287 56.287 0.123 0.000 1.008 136 K CB 0.336 32.900 32.500 0.107 0.000 0.917 136 K HN 0.209 nan 8.250 nan 0.000 0.478 137 G N 1.731 110.618 108.800 0.144 0.000 2.179 137 G HA2 -0.274 3.687 3.960 0.000 0.000 0.260 137 G HA3 -0.274 3.687 3.960 0.000 0.000 0.260 137 G C 0.764 175.749 174.900 0.142 0.000 0.977 137 G CA 0.613 45.801 45.100 0.147 0.000 0.641 137 G HN 0.509 nan 8.290 nan 0.000 0.533 138 S N 0.158 115.965 115.700 0.178 0.000 2.556 138 S HA 0.362 4.832 4.470 0.000 0.000 0.216 138 S C 1.260 176.120 174.600 0.433 0.000 0.970 138 S CA 0.491 58.801 58.200 0.182 0.000 0.912 138 S CB 0.315 63.513 63.200 -0.004 0.000 0.790 138 S HN 0.553 nan 8.310 nan 0.000 0.504 139 S N 1.127 117.092 115.700 0.442 0.000 2.546 139 S HA 0.377 4.848 4.470 0.000 0.000 0.290 139 S C 1.377 176.147 174.600 0.284 0.000 1.290 139 S CA 0.751 59.143 58.200 0.319 0.000 1.069 139 S CB 0.567 63.847 63.200 0.133 0.000 0.846 139 S HN 0.710 nan 8.310 nan 0.000 0.495 140 G N 2.482 111.425 108.800 0.239 0.000 2.194 140 G HA2 -0.167 3.793 3.960 0.000 0.000 0.236 140 G HA3 -0.167 3.793 3.960 0.000 0.000 0.236 140 G C 0.365 175.401 174.900 0.227 0.000 0.987 140 G CA -0.230 45.007 45.100 0.228 0.000 0.635 140 G HN 1.102 nan 8.290 nan 0.000 0.520 141 G N 0.822 109.770 108.800 0.246 0.000 2.503 141 G HA2 0.611 4.571 3.960 0.000 0.000 0.257 141 G HA3 0.611 4.571 3.960 0.000 0.000 0.257 141 G C -1.896 173.091 174.900 0.144 0.000 1.214 141 G CA -0.350 44.848 45.100 0.165 0.000 0.839 141 G HN 0.305 nan 8.290 nan 0.000 0.559 142 P HA 0.375 nan 4.420 nan 0.000 0.282 142 P C -0.937 176.367 177.300 0.006 0.000 1.259 142 P CA -0.663 62.468 63.100 0.052 0.000 0.826 142 P CB 1.768 33.495 31.700 0.044 0.000 1.064 143 L N 2.254 123.440 121.223 -0.062 0.000 2.287 143 L HA 0.423 4.763 4.340 0.000 0.000 0.287 143 L C 0.075 176.887 176.870 -0.096 0.000 1.022 143 L CA -0.195 54.561 54.840 -0.139 0.000 0.814 143 L CB 0.865 42.691 42.059 -0.388 0.000 1.217 143 L HN 0.209 nan 8.230 nan 0.000 0.420 144 L N 2.841 124.056 121.223 -0.013 0.000 2.346 144 L HA 0.631 4.972 4.340 0.000 0.000 0.274 144 L C 0.225 177.148 176.870 0.088 0.000 1.007 144 L CA -0.830 54.031 54.840 0.034 0.000 0.818 144 L CB 1.760 43.845 42.059 0.043 0.000 1.284 144 L HN 0.722 nan 8.230 nan 0.000 0.424 145 C N 0.510 119.839 119.300 0.048 0.000 2.553 145 C HA 0.389 4.849 4.460 0.000 0.000 0.345 145 C C -1.101 173.916 174.990 0.045 0.000 1.369 145 C CA -0.960 58.091 59.018 0.055 0.000 2.447 145 C CB 0.550 28.287 27.740 -0.005 0.000 2.358 145 C HN 0.708 nan 8.230 nan 0.000 0.676 146 P HA -0.077 nan 4.420 nan 0.000 0.218 146 P C 1.384 178.587 177.300 -0.161 0.000 1.148 146 P CA 2.281 65.360 63.100 -0.036 0.000 0.822 146 P CB -0.184 31.530 31.700 0.025 0.000 0.784 147 S N -1.578 113.976 115.700 -0.244 0.000 2.743 147 S HA 0.331 4.802 4.470 0.000 0.000 0.230 147 S C 1.494 175.839 174.600 -0.424 0.000 0.950 147 S CA 0.212 58.198 58.200 -0.356 0.000 0.976 147 S CB -1.488 61.438 63.200 -0.456 0.000 0.779 147 S HN 0.298 nan 8.310 nan 0.000 0.487 148 G N 1.171 109.817 108.800 -0.256 0.000 2.168 148 G HA2 -0.251 3.709 3.960 0.000 0.000 0.263 148 G HA3 -0.251 3.709 3.960 0.000 0.000 0.263 148 G C 0.029 174.937 174.900 0.014 0.000 0.977 148 G CA 0.407 45.441 45.100 -0.110 0.000 0.659 148 G HN 0.682 nan 8.290 nan 0.000 0.533 149 H N 0.141 119.212 119.070 0.003 0.000 2.581 149 H HA 0.652 5.208 4.556 0.000 0.000 0.369 149 H C 0.844 176.171 175.328 -0.001 0.000 1.351 149 H CA -0.069 55.982 56.048 0.004 0.000 1.434 149 H CB 0.607 30.372 29.762 0.005 0.000 1.558 149 H HN 0.557 nan 8.280 nan 0.000 0.608 150 A N 0.881 123.785 122.820 0.140 0.000 2.274 150 A HA 0.416 4.736 4.320 0.000 0.000 0.309 150 A C 0.756 178.357 177.584 0.029 0.000 1.226 150 A CA -0.570 51.501 52.037 0.056 0.000 0.853 150 A CB 0.366 19.392 19.000 0.042 0.000 1.146 150 A HN 0.474 nan 8.150 nan 0.000 0.518 151 V N 2.118 122.016 119.914 -0.027 0.000 3.379 151 V HA 0.441 4.561 4.120 0.000 0.000 0.249 151 V C 1.223 177.278 176.094 -0.065 0.000 1.184 151 V CA 1.168 63.435 62.300 -0.056 0.000 1.106 151 V CB -0.237 31.508 31.823 -0.130 0.000 0.826 151 V HN 1.263 nan 8.190 nan 0.000 0.465 152 G N 0.314 109.051 108.800 -0.105 0.000 2.340 152 G HA2 0.514 4.475 3.960 0.000 0.000 0.299 152 G HA3 0.514 4.475 3.960 0.000 0.000 0.299 152 G C -1.881 173.028 174.900 0.016 0.000 1.291 152 G CA -0.280 44.826 45.100 0.010 0.000 0.841 152 G HN 0.300 nan 8.290 nan 0.000 0.500 153 I N -2.506 118.134 120.570 0.117 0.000 2.545 153 I HA 0.789 4.959 4.170 0.000 0.000 0.292 153 I C -0.632 175.641 176.117 0.261 0.000 1.040 153 I CA -1.193 60.197 61.300 0.150 0.000 1.068 153 I CB 2.198 40.266 38.000 0.112 0.000 1.251 153 I HN 0.424 nan 8.210 nan 0.000 0.424 154 F N 6.240 126.264 119.950 0.123 0.000 2.578 154 F HA 0.308 4.835 4.527 0.000 0.000 0.376 154 F C 1.195 177.084 175.800 0.149 0.000 1.085 154 F CA 0.113 58.206 58.000 0.154 0.000 1.260 154 F CB 0.705 39.770 39.000 0.109 0.000 1.095 154 F HN 0.753 nan 8.300 nan 0.000 0.573 155 R N 3.418 123.597 120.500 -0.535 0.000 2.573 155 R HA 0.718 5.058 4.340 0.000 0.000 0.224 155 R C -0.725 175.244 176.300 -0.552 0.000 0.904 155 R CA 0.241 56.112 56.100 -0.382 0.000 0.995 155 R CB 0.324 30.567 30.300 -0.094 0.000 1.430 155 R HN 0.554 nan 8.270 nan 0.000 0.631 156 A N 0.894 123.263 122.820 -0.751 0.000 2.594 156 A HA 0.798 5.118 4.320 0.000 0.000 0.295 156 A C -1.602 175.890 177.584 -0.152 0.000 1.071 156 A CA -0.526 51.263 52.037 -0.414 0.000 0.685 156 A CB 1.655 20.534 19.000 -0.201 0.000 1.285 156 A HN 0.324 nan 8.150 nan 0.000 0.405 157 A N 0.557 123.412 122.820 0.059 0.000 2.292 157 A HA 0.639 4.959 4.320 0.000 0.000 0.319 157 A C -0.490 177.141 177.584 0.078 0.000 1.206 157 A CA -0.409 51.743 52.037 0.191 0.000 0.835 157 A CB 0.607 19.749 19.000 0.238 0.000 1.164 157 A HN 1.378 nan 8.150 nan 0.000 0.505 158 V N 2.502 122.458 119.914 0.070 0.000 2.348 158 V HA 0.250 4.371 4.120 0.000 0.000 0.270 158 V C -0.077 176.009 176.094 -0.013 0.000 1.037 158 V CA -0.413 61.894 62.300 0.012 0.000 0.872 158 V CB -0.002 31.828 31.823 0.011 0.000 1.002 158 V HN 0.964 nan 8.190 nan 0.000 0.464 159 C N 3.366 122.629 119.300 -0.062 0.000 2.454 159 C HA 0.717 5.177 4.460 0.000 0.000 0.336 159 C C 0.684 175.592 174.990 -0.137 0.000 1.189 159 C CA -0.461 58.508 59.018 -0.081 0.000 1.877 159 C CB 1.729 29.422 27.740 -0.078 0.000 2.348 159 C HN 0.811 nan 8.230 nan 0.000 0.508 160 T N 2.295 116.784 114.554 -0.108 0.000 2.864 160 T HA 0.378 4.728 4.350 0.000 0.000 0.310 160 T C 0.041 174.677 174.700 -0.106 0.000 1.040 160 T CA -0.427 61.600 62.100 -0.121 0.000 0.977 160 T CB 0.286 69.103 68.868 -0.084 0.000 0.976 160 T HN 0.754 nan 8.240 nan 0.000 0.459 161 R N 2.061 122.477 120.500 -0.140 0.000 3.416 161 R HA -0.235 4.105 4.340 0.000 0.000 0.263 161 R C 1.206 177.474 176.300 -0.053 0.000 1.053 161 R CA 0.707 56.750 56.100 -0.094 0.000 0.705 161 R CB -2.087 28.174 30.300 -0.067 0.000 1.124 161 R HN 1.199 nan 8.270 nan 0.000 0.444 162 G N -1.839 106.928 108.800 -0.055 0.000 2.176 162 G HA2 -0.311 3.650 3.960 0.000 0.000 0.253 162 G HA3 -0.311 3.650 3.960 0.000 0.000 0.253 162 G C 0.115 175.014 174.900 -0.001 0.000 0.979 162 G CA 0.021 45.114 45.100 -0.010 0.000 0.641 162 G HN 0.290 nan 8.290 nan 0.000 0.530 163 V N 1.314 121.217 119.914 -0.019 0.000 2.370 163 V HA 0.763 4.883 4.120 0.000 0.000 0.283 163 V C 0.729 176.819 176.094 -0.006 0.000 1.023 163 V CA -0.410 61.885 62.300 -0.009 0.000 0.857 163 V CB 1.428 33.239 31.823 -0.021 0.000 0.985 163 V HN 1.091 nan 8.190 nan 0.000 0.443 164 A N 4.549 127.381 122.820 0.020 0.000 2.404 164 A HA 0.443 4.763 4.320 0.000 0.000 0.273 164 A C 0.859 178.454 177.584 0.018 0.000 1.144 164 A CA -0.141 51.918 52.037 0.037 0.000 0.806 164 A CB 0.164 19.217 19.000 0.087 0.000 1.080 164 A HN 0.924 nan 8.150 nan 0.000 0.509 165 K N 1.055 121.462 120.400 0.011 0.000 2.380 165 K HA 0.411 4.731 4.320 0.000 0.000 0.198 165 K C 0.323 176.934 176.600 0.018 0.000 1.070 165 K CA 0.842 57.130 56.287 0.002 0.000 1.040 165 K CB 0.729 33.221 32.500 -0.013 0.000 0.903 165 K HN 0.802 nan 8.250 nan 0.000 0.549 166 A N 0.795 123.642 122.820 0.044 0.000 2.609 166 A HA 0.616 4.936 4.320 0.000 0.000 0.291 166 A C -1.347 176.318 177.584 0.135 0.000 1.096 166 A CA -0.741 51.338 52.037 0.070 0.000 0.684 166 A CB 1.501 20.530 19.000 0.047 0.000 1.282 166 A HN -0.057 nan 8.150 nan 0.000 0.412 167 V N -1.221 118.809 119.914 0.194 0.000 2.735 167 V HA 0.778 4.898 4.120 0.000 0.000 0.310 167 V C -0.979 175.285 176.094 0.283 0.000 1.061 167 V CA -0.621 61.883 62.300 0.339 0.000 0.913 167 V CB 1.618 33.727 31.823 0.476 0.000 1.005 167 V HN 0.903 nan 8.190 nan 0.000 0.428 168 D N 3.029 123.543 120.400 0.190 0.000 2.193 168 D HA 0.716 5.356 4.640 0.000 0.000 0.244 168 D C -0.683 175.675 176.300 0.097 0.000 1.064 168 D CA -0.265 53.744 54.000 0.015 0.000 0.845 168 D CB 1.294 42.046 40.800 -0.079 0.000 1.148 168 D HN 0.666 nan 8.370 nan 0.000 0.464 169 F N 0.987 120.949 119.950 0.020 0.000 2.620 169 F HA 0.638 5.165 4.527 0.000 0.000 0.320 169 F C -1.253 174.530 175.800 -0.027 0.000 1.069 169 F CA -1.388 56.623 58.000 0.017 0.000 0.953 169 F CB 0.770 39.821 39.000 0.086 0.000 1.322 169 F HN -0.001 nan 8.300 nan 0.000 0.479 170 V N 3.692 123.701 119.914 0.159 0.000 2.368 170 V HA 0.311 4.431 4.120 0.000 0.000 0.266 170 V C -1.984 174.188 176.094 0.130 0.000 1.045 170 V CA -1.674 60.642 62.300 0.026 0.000 0.899 170 V CB 0.478 32.276 31.823 -0.041 0.000 1.006 170 V HN 0.582 nan 8.190 nan 0.000 0.470 171 P HA 0.044 nan 4.420 nan 0.000 0.271 171 P C 1.021 178.314 177.300 -0.012 0.000 1.218 171 P CA 0.185 63.386 63.100 0.168 0.000 0.780 171 P CB 1.520 33.270 31.700 0.082 0.000 0.901 172 V N 2.549 122.452 119.914 -0.019 0.000 2.568 172 V HA -0.236 3.884 4.120 0.000 0.000 0.253 172 V C 2.113 178.122 176.094 -0.143 0.000 1.072 172 V CA 2.174 64.402 62.300 -0.121 0.000 1.084 172 V CB -0.998 30.784 31.823 -0.070 0.000 0.676 172 V HN 0.584 nan 8.190 nan 0.000 0.469 173 E N -0.503 119.646 120.200 -0.085 0.000 2.268 173 E HA -0.117 4.233 4.350 0.000 0.000 0.195 173 E C 2.139 178.663 176.600 -0.128 0.000 0.995 173 E CA 1.284 57.631 56.400 -0.088 0.000 0.836 173 E CB -0.606 29.065 29.700 -0.049 0.000 0.763 173 E HN 0.638 nan 8.360 nan 0.000 0.491 174 S N 0.959 116.564 115.700 -0.159 0.000 2.428 174 S HA 0.027 4.497 4.470 0.000 0.000 0.230 174 S C 1.970 176.390 174.600 -0.300 0.000 1.014 174 S CA 0.799 58.884 58.200 -0.191 0.000 0.957 174 S CB -0.182 62.912 63.200 -0.177 0.000 0.784 174 S HN 0.194 nan 8.310 nan 0.000 0.499 175 M N 1.091 120.426 119.600 -0.442 0.000 2.175 175 M HA -0.058 4.423 4.480 0.000 0.000 0.264 175 M C 2.167 178.260 176.300 -0.346 0.000 1.063 175 M CA 1.093 55.967 55.300 -0.709 0.000 1.119 175 M CB -0.265 31.691 32.600 -1.073 0.000 1.377 175 M HN 0.144 nan 8.290 nan 0.000 0.415 176 E N -0.092 119.981 120.200 -0.211 0.000 2.015 176 E HA -0.127 4.223 4.350 0.000 0.000 0.191 176 E C 2.103 178.642 176.600 -0.101 0.000 0.991 176 E CA 1.773 58.108 56.400 -0.108 0.000 0.802 176 E CB -0.682 28.974 29.700 -0.074 0.000 0.759 176 E HN 0.438 nan 8.360 nan 0.000 0.447 177 T N 1.259 115.748 114.554 -0.108 0.000 2.685 177 T HA -0.165 4.185 4.350 0.000 0.000 0.268 177 T C 2.007 176.649 174.700 -0.096 0.000 1.034 177 T CA 2.054 64.102 62.100 -0.087 0.000 1.149 177 T CB -0.489 68.327 68.868 -0.087 0.000 0.860 177 T HN 0.183 nan 8.240 nan 0.000 0.449 178 T N 1.934 116.399 114.554 -0.149 0.000 2.746 178 T HA 0.019 4.369 4.350 0.000 0.000 0.267 178 T C 2.017 176.589 174.700 -0.212 0.000 1.039 178 T CA 1.117 63.118 62.100 -0.164 0.000 1.142 178 T CB -0.321 68.423 68.868 -0.207 0.000 0.866 178 T HN 0.359 nan 8.240 nan 0.000 0.444 179 M N 0.419 119.874 119.600 -0.242 0.000 2.296 179 M HA 0.036 4.516 4.480 0.000 0.000 0.265 179 M C 1.745 178.045 176.300 -0.001 0.000 1.064 179 M CA 1.248 56.434 55.300 -0.190 0.000 1.109 179 M CB -0.180 32.379 32.600 -0.069 0.000 1.396 179 M HN 0.007 nan 8.290 nan 0.000 0.430 180 R N -0.011 120.480 120.500 -0.015 0.000 2.449 180 R HA 0.190 4.531 4.340 0.000 0.000 0.262 180 R C -0.412 175.901 176.300 0.021 0.000 1.006 180 R CA -0.085 56.024 56.100 0.014 0.000 1.104 180 R CB 0.068 30.368 30.300 -0.000 0.000 1.206 180 R HN 0.117 nan 8.270 nan 0.000 0.538 181 S N 0.892 116.612 115.700 0.034 0.000 2.568 181 S HA 0.458 4.928 4.470 0.000 0.000 0.293 181 S C -2.446 172.210 174.600 0.095 0.000 1.089 181 S CA -1.416 56.813 58.200 0.047 0.000 0.945 181 S CB 2.218 65.432 63.200 0.023 0.000 1.077 181 S HN -0.050 nan 8.310 nan 0.000 0.485 182 P HA 0.145 nan 4.420 nan 0.000 0.269 182 P C 0.560 177.913 177.300 0.090 0.000 1.217 182 P CA -0.371 62.794 63.100 0.108 0.000 0.783 182 P CB 0.390 32.151 31.700 0.102 0.000 0.898 183 V N 0.061 120.006 119.914 0.052 0.000 2.591 183 V HA -0.034 4.086 4.120 0.000 0.000 0.249 183 V C 0.569 176.404 176.094 -0.432 0.000 1.053 183 V CA 1.383 63.548 62.300 -0.226 0.000 1.068 183 V CB -0.771 30.804 31.823 -0.413 0.000 0.689 183 V HN 0.392 nan 8.190 nan 0.000 0.462 184 F N -0.877 119.066 119.950 -0.012 0.000 2.495 184 F HA 0.643 5.171 4.527 0.000 0.000 0.327 184 F C 0.174 175.971 175.800 -0.004 0.000 1.103 184 F CA -0.381 57.611 58.000 -0.013 0.000 0.949 184 F CB 1.941 40.931 39.000 -0.016 0.000 1.142 184 F HN -0.304 nan 8.300 nan 0.000 0.457 185 T N 1.149 115.793 114.554 0.150 0.000 2.900 185 T HA 0.369 4.720 4.350 0.000 0.000 0.303 185 T C -2.140 172.606 174.700 0.077 0.000 1.142 185 T CA -0.541 61.612 62.100 0.089 0.000 1.007 185 T CB 1.586 70.478 68.868 0.039 0.000 1.156 185 T HN 0.552 nan 8.240 nan 0.000 0.490 186 D N 2.054 122.481 120.400 0.044 0.000 2.575 186 D HA 0.374 5.015 4.640 0.000 0.000 0.250 186 D C -0.395 175.900 176.300 -0.009 0.000 1.279 186 D CA -0.402 53.617 54.000 0.033 0.000 0.925 186 D CB 1.089 41.907 40.800 0.030 0.000 1.261 186 D HN 0.448 nan 8.370 nan 0.000 0.567 187 N N 1.211 119.888 118.700 -0.038 0.000 2.453 187 N HA -0.005 4.735 4.740 0.000 0.000 0.270 187 N C 1.064 176.539 175.510 -0.059 0.000 1.195 187 N CA 0.022 53.004 53.050 -0.112 0.000 0.902 187 N CB 0.790 39.068 38.487 -0.347 0.000 1.186 187 N HN 0.283 nan 8.380 nan 0.000 0.510 188 S N -1.443 114.253 115.700 -0.007 0.000 2.496 188 S HA 0.123 4.593 4.470 0.000 0.000 0.224 188 S C 0.973 175.570 174.600 -0.005 0.000 0.996 188 S CA -0.057 58.151 58.200 0.014 0.000 0.927 188 S CB 0.269 63.482 63.200 0.022 0.000 0.774 188 S HN -0.042 nan 8.310 nan 0.000 0.524 189 S N 3.357 119.045 115.700 -0.020 0.000 2.578 189 S HA 0.546 5.016 4.470 0.000 0.000 0.283 189 S C -2.756 171.822 174.600 -0.037 0.000 1.195 189 S CA -1.181 57.000 58.200 -0.031 0.000 1.050 189 S CB 0.962 64.144 63.200 -0.031 0.000 1.012 189 S HN 0.199 nan 8.310 nan 0.000 0.511 190 P HA 0.208 nan 4.420 nan 0.000 0.262 190 P C -2.435 174.869 177.300 0.007 0.000 1.199 190 P CA -0.813 62.253 63.100 -0.057 0.000 0.763 190 P CB -0.612 30.947 31.700 -0.235 0.000 0.790 191 P HA 0.050 nan 4.420 nan 0.000 0.265 191 P C -0.247 177.090 177.300 0.063 0.000 1.187 191 P CA 0.166 63.280 63.100 0.024 0.000 0.766 191 P CB 0.373 32.057 31.700 -0.027 0.000 0.820 192 A N 3.336 126.161 122.820 0.009 0.000 2.511 192 A HA 0.161 4.482 4.320 0.000 0.000 0.242 192 A C 0.179 177.729 177.584 -0.055 0.000 1.069 192 A CA -0.332 51.710 52.037 0.008 0.000 0.763 192 A CB -0.156 18.840 19.000 -0.006 0.000 1.001 192 A HN 0.416 nan 8.150 nan 0.000 0.498 193 V N 6.057 125.917 119.914 -0.091 0.000 2.485 193 V HA 0.159 4.280 4.120 0.000 0.000 0.287 193 V C -1.274 174.748 176.094 -0.119 0.000 1.022 193 V CA -0.541 61.625 62.300 -0.222 0.000 1.067 193 V CB 0.129 31.687 31.823 -0.441 0.000 0.967 193 V HN 0.919 nan 8.190 nan 0.000 0.479 194 P HA 0.274 nan 4.420 nan 0.000 0.278 194 P C 0.246 177.518 177.300 -0.047 0.000 1.258 194 P CA -0.564 62.486 63.100 -0.084 0.000 0.811 194 P CB 1.197 32.826 31.700 -0.119 0.000 1.063 195 Q N -0.097 119.692 119.800 -0.019 0.000 2.079 195 Q HA -0.003 4.337 4.340 0.000 0.000 0.200 195 Q C 1.093 177.101 176.000 0.014 0.000 0.974 195 Q CA 1.333 57.140 55.803 0.006 0.000 0.840 195 Q CB -0.392 28.352 28.738 0.010 0.000 0.898 195 Q HN 0.665 nan 8.270 nan 0.000 0.430 196 S N -0.843 114.863 115.700 0.010 0.000 2.664 196 S HA 0.443 4.913 4.470 0.000 0.000 0.304 196 S C -0.277 174.349 174.600 0.043 0.000 1.099 196 S CA -0.980 57.246 58.200 0.044 0.000 1.003 196 S CB 1.239 64.469 63.200 0.050 0.000 1.092 196 S HN 0.168 nan 8.310 nan 0.000 0.525 197 F N 1.667 121.596 119.950 -0.036 0.000 2.623 197 F HA 0.312 4.839 4.527 0.000 0.000 0.383 197 F C 0.239 176.006 175.800 -0.055 0.000 1.077 197 F CA 0.798 58.769 58.000 -0.049 0.000 1.268 197 F CB 0.260 39.236 39.000 -0.040 0.000 1.053 197 F HN 0.841 nan 8.300 nan 0.000 0.571 198 Q N 4.278 123.451 119.800 -1.046 0.000 2.379 198 Q HA 0.604 4.944 4.340 0.000 0.000 0.278 198 Q C -2.014 173.410 176.000 -0.959 0.000 1.068 198 Q CA -0.939 54.389 55.803 -0.791 0.000 0.816 198 Q CB 2.152 30.663 28.738 -0.379 0.000 1.387 198 Q HN 0.546 nan 8.270 nan 0.000 0.413 199 V N 2.402 121.971 119.914 -0.575 0.000 2.370 199 V HA 0.895 5.015 4.120 0.000 0.000 0.279 199 V C -0.327 175.560 176.094 -0.346 0.000 1.029 199 V CA -0.055 61.997 62.300 -0.413 0.000 0.870 199 V CB 0.701 32.376 31.823 -0.246 0.000 0.984 199 V HN 0.840 nan 8.190 nan 0.000 0.451 200 A N 4.464 127.059 122.820 -0.375 0.000 2.435 200 A HA 0.877 5.198 4.320 0.000 0.000 0.296 200 A C -0.841 176.474 177.584 -0.448 0.000 1.147 200 A CA -0.668 51.185 52.037 -0.307 0.000 0.775 200 A CB 1.543 20.428 19.000 -0.192 0.000 1.340 200 A HN 0.844 nan 8.150 nan 0.000 0.427 201 H N -0.438 118.532 119.070 -0.166 0.000 2.622 201 H HA 0.593 5.150 4.556 0.000 0.000 0.363 201 H C -1.696 173.473 175.328 -0.266 0.000 1.151 201 H CA -0.548 55.373 56.048 -0.212 0.000 1.184 201 H CB 2.014 31.583 29.762 -0.322 0.000 1.643 201 H HN 0.440 nan 8.280 nan 0.000 0.531 202 L N 3.211 124.394 121.223 -0.066 0.000 2.372 202 L HA 0.289 4.630 4.340 0.000 0.000 0.273 202 L C -1.194 175.748 176.870 0.120 0.000 0.989 202 L CA -0.275 54.545 54.840 -0.033 0.000 0.841 202 L CB 0.697 42.770 42.059 0.024 0.000 1.225 202 L HN 0.640 nan 8.230 nan 0.000 0.414 203 H N 4.510 123.613 119.070 0.055 0.000 2.589 203 H HA 0.916 5.472 4.556 0.000 0.000 0.335 203 H C -0.678 174.670 175.328 0.032 0.000 1.019 203 H CA -0.781 55.294 56.048 0.045 0.000 1.213 203 H CB 1.797 31.576 29.762 0.030 0.000 1.472 203 H HN 0.849 nan 8.280 nan 0.000 0.508 204 A N 4.139 127.053 122.820 0.156 0.000 2.594 204 A HA 0.442 4.762 4.320 0.000 0.000 0.296 204 A C -3.061 174.572 177.584 0.082 0.000 1.061 204 A CA -1.609 50.483 52.037 0.093 0.000 0.689 204 A CB 1.116 20.159 19.000 0.071 0.000 1.280 204 A HN 0.371 nan 8.150 nan 0.000 0.406 205 P HA 0.241 nan 4.420 nan 0.000 0.269 205 P C 0.442 177.828 177.300 0.142 0.000 1.217 205 P CA 0.294 63.452 63.100 0.096 0.000 0.783 205 P CB 0.215 31.942 31.700 0.046 0.000 0.898 206 T N -1.535 113.117 114.554 0.163 0.000 2.905 206 T HA 0.293 4.643 4.350 0.000 0.000 0.299 206 T C 1.093 175.887 174.700 0.156 0.000 1.024 206 T CA 0.293 62.459 62.100 0.111 0.000 1.151 206 T CB -0.811 68.059 68.868 0.004 0.000 0.987 206 T HN 0.914 nan 8.240 nan 0.000 0.535 207 G N 2.216 111.080 108.800 0.107 0.000 2.182 207 G HA2 -0.275 3.685 3.960 0.000 0.000 0.248 207 G HA3 -0.275 3.685 3.960 0.000 0.000 0.248 207 G C 0.660 175.629 174.900 0.116 0.000 1.042 207 G CA 0.583 45.742 45.100 0.097 0.000 0.775 207 G HN 1.754 nan 8.290 nan 0.000 0.501 208 S N -1.676 114.090 115.700 0.111 0.000 2.511 208 S HA 0.490 4.961 4.470 0.000 0.000 0.214 208 S C 1.875 176.524 174.600 0.082 0.000 0.997 208 S CA 1.163 59.418 58.200 0.091 0.000 0.908 208 S CB 0.809 64.054 63.200 0.075 0.000 0.803 208 S HN 2.266 nan 8.310 nan 0.000 0.504 209 G N 1.392 110.249 108.800 0.093 0.000 2.205 209 G HA2 -0.200 3.760 3.960 0.000 0.000 0.180 209 G HA3 -0.200 3.760 3.960 0.000 0.000 0.180 209 G C 0.732 175.662 174.900 0.050 0.000 1.004 209 G CA 0.149 45.303 45.100 0.090 0.000 0.670 209 G HN 0.403 nan 8.290 nan 0.000 0.496 210 K N 0.655 121.090 120.400 0.057 0.000 2.020 210 K HA -0.082 4.238 4.320 0.000 0.000 0.212 210 K C 2.423 179.033 176.600 0.016 0.000 1.050 210 K CA 1.882 58.193 56.287 0.041 0.000 0.929 210 K CB -0.249 32.296 32.500 0.076 0.000 0.714 210 K HN 0.313 nan 8.250 nan 0.000 0.443 211 S N -0.252 115.470 115.700 0.037 0.000 2.522 211 S HA -0.047 4.423 4.470 0.000 0.000 0.227 211 S C 1.633 176.148 174.600 -0.140 0.000 0.986 211 S CA 1.312 59.475 58.200 -0.062 0.000 0.929 211 S CB 0.095 63.300 63.200 0.007 0.000 0.769 211 S HN 0.537 nan 8.310 nan 0.000 0.529 212 T N -0.025 114.521 114.554 -0.013 0.000 3.393 212 T HA 0.259 4.609 4.350 0.000 0.000 0.231 212 T C 1.583 176.167 174.700 -0.193 0.000 0.983 212 T CA 0.105 62.228 62.100 0.038 0.000 1.272 212 T CB -0.451 68.618 68.868 0.334 0.000 1.214 212 T HN 0.102 nan 8.240 nan 0.000 0.368 213 K N 1.066 121.340 120.400 -0.210 0.000 2.059 213 K HA -0.155 4.165 4.320 0.000 0.000 0.212 213 K C 2.202 178.635 176.600 -0.279 0.000 1.050 213 K CA 2.124 58.192 56.287 -0.366 0.000 0.927 213 K CB -0.768 31.692 32.500 -0.067 0.000 0.714 213 K HN 0.274 nan 8.250 nan 0.000 0.447 214 V N 1.835 121.637 119.914 -0.186 0.000 2.261 214 V HA -0.174 3.947 4.120 0.000 0.000 0.246 214 V C -0.930 175.046 176.094 -0.196 0.000 1.047 214 V CA 2.124 64.285 62.300 -0.231 0.000 1.015 214 V CB -1.261 30.477 31.823 -0.141 0.000 0.642 214 V HN 0.440 nan 8.190 nan 0.000 0.446 215 P HA -0.113 nan 4.420 nan 0.000 0.218 215 P C 1.592 178.861 177.300 -0.051 0.000 1.149 215 P CA 2.010 65.097 63.100 -0.022 0.000 0.817 215 P CB -0.061 31.536 31.700 -0.172 0.000 0.785 216 A N 0.754 123.481 122.820 -0.154 0.000 1.902 216 A HA -0.069 4.251 4.320 0.000 0.000 0.217 216 A C 2.491 180.015 177.584 -0.100 0.000 1.181 216 A CA 2.224 54.167 52.037 -0.157 0.000 0.623 216 A CB -1.527 17.237 19.000 -0.393 0.000 0.818 216 A HN 0.230 nan 8.150 nan 0.000 0.443 217 A N -1.475 121.249 122.820 -0.161 0.000 1.898 217 A HA -0.039 4.281 4.320 0.000 0.000 0.216 217 A C 2.075 179.631 177.584 -0.046 0.000 1.181 217 A CA 1.526 53.478 52.037 -0.141 0.000 0.620 217 A CB -0.788 18.065 19.000 -0.245 0.000 0.819 217 A HN 0.537 nan 8.150 nan 0.000 0.442 218 Y N 0.002 120.300 120.300 -0.003 0.000 2.224 218 Y HA -0.078 4.473 4.550 0.000 0.000 0.289 218 Y C 2.879 178.861 175.900 0.137 0.000 1.146 218 Y CA 0.495 58.640 58.100 0.075 0.000 1.182 218 Y CB -0.743 37.711 38.460 -0.010 0.000 0.983 218 Y HN 0.337 nan 8.280 nan 0.000 0.524 219 A N -0.145 122.798 122.820 0.206 0.000 1.897 219 A HA -0.019 4.301 4.320 0.000 0.000 0.215 219 A C 2.440 180.068 177.584 0.073 0.000 1.181 219 A CA 1.450 53.561 52.037 0.123 0.000 0.620 219 A CB -1.197 17.841 19.000 0.064 0.000 0.821 219 A HN 0.341 nan 8.150 nan 0.000 0.443 220 A N -0.717 122.134 122.820 0.052 0.000 2.131 220 A HA -0.190 4.130 4.320 0.000 0.000 0.220 220 A C 1.853 179.447 177.584 0.017 0.000 1.158 220 A CA 1.601 53.653 52.037 0.024 0.000 0.665 220 A CB -0.455 18.551 19.000 0.011 0.000 0.795 220 A HN 0.684 nan 8.150 nan 0.000 0.460 221 Q N -1.851 117.980 119.800 0.051 0.000 2.280 221 Q HA 0.338 4.678 4.340 0.000 0.000 0.201 221 Q C 0.935 176.828 176.000 -0.179 0.000 0.890 221 Q CA 0.294 56.102 55.803 0.007 0.000 0.947 221 Q CB 0.380 29.213 28.738 0.158 0.000 1.081 221 Q HN 0.823 nan 8.270 nan 0.000 0.502 222 G N 0.133 108.846 108.800 -0.145 0.000 2.141 222 G HA2 -0.265 3.695 3.960 0.000 0.000 0.231 222 G HA3 -0.265 3.695 3.960 0.000 0.000 0.231 222 G C -0.498 174.220 174.900 -0.303 0.000 0.984 222 G CA -0.389 44.565 45.100 -0.244 0.000 0.660 222 G HN 0.264 nan 8.290 nan 0.000 0.525 223 Y N 0.480 120.791 120.300 0.018 0.000 2.387 223 Y HA 0.605 5.155 4.550 0.000 0.000 0.330 223 Y C 0.908 176.808 175.900 0.001 0.000 1.133 223 Y CA -0.826 57.275 58.100 0.001 0.000 1.152 223 Y CB 1.149 39.602 38.460 -0.011 0.000 1.215 223 Y HN -0.023 nan 8.280 nan 0.000 0.466 224 K N 2.341 122.847 120.400 0.177 0.000 2.262 224 K HA 0.481 4.801 4.320 0.000 0.000 0.282 224 K C -1.291 175.423 176.600 0.190 0.000 1.066 224 K CA -0.464 55.895 56.287 0.119 0.000 0.901 224 K CB 0.863 33.367 32.500 0.007 0.000 1.089 224 K HN 0.320 nan 8.250 nan 0.000 0.476 225 V N 4.806 124.815 119.914 0.158 0.000 2.384 225 V HA 0.228 4.349 4.120 0.000 0.000 0.287 225 V C -0.594 175.462 176.094 -0.062 0.000 1.020 225 V CA -1.041 61.275 62.300 0.028 0.000 0.850 225 V CB 1.184 32.973 31.823 -0.057 0.000 0.987 225 V HN 0.539 nan 8.190 nan 0.000 0.436 226 L N 7.057 128.076 121.223 -0.339 0.000 2.264 226 L HA 0.625 4.966 4.340 0.000 0.000 0.289 226 L C -0.360 176.204 176.870 -0.510 0.000 1.044 226 L CA 0.205 54.640 54.840 -0.676 0.000 0.807 226 L CB 1.453 42.740 42.059 -1.287 0.000 1.192 226 L HN 0.458 nan 8.230 nan 0.000 0.425 227 V N 7.001 126.612 119.914 -0.504 0.000 2.357 227 V HA 0.402 4.522 4.120 0.000 0.000 0.284 227 V C 0.033 175.901 176.094 -0.376 0.000 1.018 227 V CA -0.553 61.472 62.300 -0.460 0.000 0.841 227 V CB 1.291 32.722 31.823 -0.654 0.000 0.991 227 V HN 0.593 nan 8.190 nan 0.000 0.437 228 L N 5.238 126.188 121.223 -0.456 0.000 2.282 228 L HA 0.591 4.931 4.340 0.000 0.000 0.288 228 L C 0.040 176.504 176.870 -0.676 0.000 1.033 228 L CA -0.126 54.285 54.840 -0.715 0.000 0.807 228 L CB 1.332 42.722 42.059 -1.115 0.000 1.209 228 L HN 0.615 nan 8.230 nan 0.000 0.423 229 N N 3.615 122.013 118.700 -0.503 0.000 2.229 229 N HA 0.390 5.131 4.740 0.000 0.000 0.298 229 N C -2.324 173.184 175.510 -0.004 0.000 1.114 229 N CA -1.597 51.382 53.050 -0.118 0.000 0.776 229 N CB 3.297 41.878 38.487 0.156 0.000 1.501 229 N HN 0.150 nan 8.380 nan 0.000 0.474 230 P HA -0.023 nan 4.420 nan 0.000 0.220 230 P C 0.322 177.708 177.300 0.144 0.000 1.152 230 P CA 0.722 63.984 63.100 0.270 0.000 0.812 230 P CB 0.236 32.039 31.700 0.170 0.000 0.792 231 S N -0.464 115.312 115.700 0.128 0.000 2.499 231 S HA 0.196 4.667 4.470 0.000 0.000 0.279 231 S C 1.115 175.761 174.600 0.076 0.000 1.219 231 S CA -0.679 57.582 58.200 0.102 0.000 1.062 231 S CB 0.830 64.097 63.200 0.110 0.000 0.978 231 S HN -0.115 nan 8.310 nan 0.000 0.489 232 V N 5.694 125.648 119.914 0.066 0.000 2.453 232 V HA 0.040 4.160 4.120 0.000 0.000 0.247 232 V C 2.343 178.450 176.094 0.021 0.000 1.048 232 V CA 2.482 64.812 62.300 0.049 0.000 1.049 232 V CB -1.051 30.804 31.823 0.053 0.000 0.672 232 V HN 1.014 nan 8.190 nan 0.000 0.457 233 A N -0.057 122.772 122.820 0.016 0.000 1.930 233 A HA 0.029 4.350 4.320 0.000 0.000 0.217 233 A C 2.409 179.978 177.584 -0.025 0.000 1.175 233 A CA 2.045 54.072 52.037 -0.018 0.000 0.627 233 A CB -0.922 17.998 19.000 -0.133 0.000 0.815 233 A HN 0.845 nan 8.150 nan 0.000 0.443 234 A N -1.074 121.714 122.820 -0.053 0.000 1.897 234 A HA -0.027 4.293 4.320 0.000 0.000 0.215 234 A C 2.249 179.479 177.584 -0.590 0.000 1.181 234 A CA 2.065 53.893 52.037 -0.349 0.000 0.620 234 A CB -1.166 17.706 19.000 -0.212 0.000 0.821 234 A HN 0.400 nan 8.150 nan 0.000 0.443 235 T N 0.550 115.014 114.554 -0.149 0.000 2.881 235 T HA -0.045 4.305 4.350 0.000 0.000 0.270 235 T C 1.685 176.355 174.700 -0.050 0.000 1.068 235 T CA 1.394 63.520 62.100 0.043 0.000 1.131 235 T CB -0.311 68.632 68.868 0.126 0.000 0.871 235 T HN 0.368 nan 8.240 nan 0.000 0.479 236 L N 0.424 121.590 121.223 -0.096 0.000 2.127 236 L HA 0.171 4.511 4.340 0.000 0.000 0.203 236 L C 3.046 179.838 176.870 -0.131 0.000 1.080 236 L CA 0.928 55.728 54.840 -0.068 0.000 0.768 236 L CB -1.026 41.013 42.059 -0.034 0.000 0.924 236 L HN 0.291 nan 8.230 nan 0.000 0.444 237 G N 0.534 109.182 108.800 -0.254 0.000 2.513 237 G HA2 -0.314 3.646 3.960 0.000 0.000 0.219 237 G HA3 -0.314 3.646 3.960 0.000 0.000 0.219 237 G C 1.338 176.094 174.900 -0.241 0.000 1.160 237 G CA 0.891 45.801 45.100 -0.317 0.000 0.767 237 G HN 0.186 nan 8.290 nan 0.000 0.571 238 F N 1.975 121.802 119.950 -0.205 0.000 2.192 238 F HA -0.024 4.504 4.527 0.000 0.000 0.301 238 F C 2.830 178.520 175.800 -0.183 0.000 1.079 238 F CA 0.378 58.190 58.000 -0.313 0.000 1.303 238 F CB -1.091 37.326 39.000 -0.972 0.000 1.024 238 F HN 0.189 nan 8.300 nan 0.000 0.494 239 G N -0.197 108.617 108.800 0.022 0.000 2.586 239 G HA2 -0.250 3.710 3.960 0.000 0.000 0.218 239 G HA3 -0.250 3.710 3.960 0.000 0.000 0.218 239 G C 1.893 176.833 174.900 0.067 0.000 1.216 239 G CA 1.343 46.474 45.100 0.053 0.000 0.786 239 G HN 0.486 nan 8.290 nan 0.000 0.583 240 A N -0.995 121.857 122.820 0.053 0.000 2.021 240 A HA 0.192 4.512 4.320 0.000 0.000 0.216 240 A C 2.169 179.794 177.584 0.068 0.000 1.163 240 A CA 1.436 53.501 52.037 0.046 0.000 0.676 240 A CB -0.435 18.580 19.000 0.025 0.000 0.818 240 A HN 0.501 nan 8.150 nan 0.000 0.453 241 Y N -0.253 120.040 120.300 -0.012 0.000 2.314 241 Y HA -0.110 4.440 4.550 0.000 0.000 0.293 241 Y C 2.135 178.063 175.900 0.047 0.000 1.129 241 Y CA 1.618 59.719 58.100 0.001 0.000 1.201 241 Y CB -0.082 38.376 38.460 -0.004 0.000 0.999 241 Y HN 0.187 nan 8.280 nan 0.000 0.541 242 M N -0.138 119.500 119.600 0.064 0.000 2.229 242 M HA -0.139 4.341 4.480 0.000 0.000 0.264 242 M C 2.432 178.718 176.300 -0.024 0.000 1.063 242 M CA 1.637 56.971 55.300 0.055 0.000 1.114 242 M CB -1.423 31.300 32.600 0.204 0.000 1.387 242 M HN 0.482 nan 8.290 nan 0.000 0.420 243 S N 1.692 117.375 115.700 -0.028 0.000 2.338 243 S HA -0.188 4.283 4.470 0.000 0.000 0.218 243 S C 1.817 176.361 174.600 -0.094 0.000 1.032 243 S CA 1.540 59.721 58.200 -0.032 0.000 0.999 243 S CB -0.573 62.620 63.200 -0.012 0.000 0.905 243 S HN 0.524 nan 8.310 nan 0.000 0.439 244 K N 2.350 122.663 120.400 -0.145 0.000 2.148 244 K HA 0.283 4.603 4.320 0.000 0.000 0.204 244 K C 1.989 178.419 176.600 -0.284 0.000 1.050 244 K CA 1.249 57.430 56.287 -0.177 0.000 0.942 244 K CB -0.698 31.711 32.500 -0.152 0.000 0.724 244 K HN 0.426 nan 8.250 nan 0.000 0.446 245 A N 0.227 122.763 122.820 -0.473 0.000 1.984 245 A HA 0.047 4.367 4.320 0.000 0.000 0.214 245 A C 1.034 178.177 177.584 -0.735 0.000 1.173 245 A CA 0.713 52.329 52.037 -0.702 0.000 0.673 245 A CB -0.202 18.032 19.000 -1.276 0.000 0.830 245 A HN 0.478 nan 8.150 nan 0.000 0.453 246 H N -1.896 117.081 119.070 -0.156 0.000 3.124 246 H HA 0.240 4.796 4.556 0.000 0.000 0.250 246 H C 1.092 176.393 175.328 -0.044 0.000 1.184 246 H CA 0.043 56.050 56.048 -0.069 0.000 1.013 246 H CB -0.033 29.711 29.762 -0.030 0.000 1.891 246 H HN 0.547 nan 8.280 nan 0.000 0.687 247 G N 2.057 110.861 108.800 0.007 0.000 2.390 247 G HA2 -0.283 3.677 3.960 0.000 0.000 0.299 247 G HA3 -0.283 3.677 3.960 0.000 0.000 0.299 247 G C 0.015 174.940 174.900 0.041 0.000 1.002 247 G CA 0.607 45.712 45.100 0.010 0.000 0.979 247 G HN 0.405 nan 8.290 nan 0.000 0.513 248 I N -0.456 120.153 120.570 0.064 0.000 2.499 248 I HA 0.303 4.473 4.170 0.000 0.000 0.288 248 I C -1.016 175.153 176.117 0.086 0.000 1.048 248 I CA -0.843 60.504 61.300 0.079 0.000 1.062 248 I CB 2.206 40.267 38.000 0.103 0.000 1.238 248 I HN 0.025 nan 8.210 nan 0.000 0.426 249 D N 8.587 129.033 120.400 0.077 0.000 2.460 249 D HA 0.369 5.009 4.640 0.000 0.000 0.232 249 D C -2.462 173.903 176.300 0.109 0.000 1.079 249 D CA -1.606 52.445 54.000 0.085 0.000 0.864 249 D CB 1.376 42.210 40.800 0.056 0.000 1.048 249 D HN 0.102 nan 8.370 nan 0.000 0.523 250 P HA 0.183 nan 4.420 nan 0.000 0.282 250 P C -0.186 177.221 177.300 0.178 0.000 1.249 250 P CA -0.654 62.567 63.100 0.202 0.000 0.806 250 P CB 0.882 32.821 31.700 0.398 0.000 0.984 251 N N 1.601 120.390 118.700 0.148 0.000 2.283 251 N HA 0.042 4.782 4.740 0.000 0.000 0.236 251 N C 0.071 175.687 175.510 0.177 0.000 1.252 251 N CA 0.656 53.789 53.050 0.137 0.000 0.856 251 N CB 0.277 38.839 38.487 0.125 0.000 1.099 251 N HN 0.413 nan 8.380 nan 0.000 0.444 252 I N 1.406 122.062 120.570 0.143 0.000 2.619 252 I HA 0.319 4.490 4.170 0.000 0.000 0.292 252 I C -0.394 175.792 176.117 0.115 0.000 1.100 252 I CA -0.566 60.824 61.300 0.149 0.000 1.043 252 I CB 2.135 40.211 38.000 0.127 0.000 1.239 252 I HN 0.265 nan 8.210 nan 0.000 0.420 253 R N 3.541 124.110 120.500 0.116 0.000 2.532 253 R HA 0.731 5.071 4.340 0.000 0.000 0.297 253 R C -0.924 175.425 176.300 0.082 0.000 0.984 253 R CA -0.639 55.517 56.100 0.093 0.000 0.884 253 R CB 2.589 32.948 30.300 0.097 0.000 1.182 253 R HN 0.793 nan 8.270 nan 0.000 0.442 254 T N -2.460 112.135 114.554 0.067 0.000 2.731 254 T HA 0.344 4.695 4.350 0.000 0.000 0.300 254 T C 0.929 175.657 174.700 0.047 0.000 1.283 254 T CA -0.399 61.734 62.100 0.055 0.000 1.005 254 T CB 1.336 70.233 68.868 0.049 0.000 1.420 254 T HN 0.434 nan 8.240 nan 0.000 0.503 255 G N 0.151 108.971 108.800 0.033 0.000 2.433 255 G HA2 -0.098 3.862 3.960 0.000 0.000 0.216 255 G HA3 -0.098 3.862 3.960 0.000 0.000 0.216 255 G C 1.574 176.495 174.900 0.036 0.000 1.186 255 G CA 1.695 46.812 45.100 0.029 0.000 0.779 255 G HN 1.353 nan 8.290 nan 0.000 0.543 256 V N -1.325 118.609 119.914 0.033 0.000 2.270 256 V HA 0.252 4.372 4.120 0.000 0.000 0.245 256 V C 1.214 177.330 176.094 0.038 0.000 1.043 256 V CA 1.096 63.417 62.300 0.035 0.000 1.014 256 V CB -0.410 31.433 31.823 0.032 0.000 0.645 256 V HN 0.103 nan 8.190 nan 0.000 0.447 257 R N 0.205 120.729 120.500 0.040 0.000 2.393 257 R HA 0.635 4.975 4.340 0.000 0.000 0.315 257 R C -0.465 175.866 176.300 0.052 0.000 0.952 257 R CA 0.071 56.197 56.100 0.043 0.000 0.842 257 R CB 1.569 31.894 30.300 0.041 0.000 1.163 257 R HN 0.358 nan 8.270 nan 0.000 0.450 258 T N 4.555 119.141 114.554 0.052 0.000 3.438 258 T HA 0.353 4.704 4.350 0.000 0.000 0.244 258 T C 0.315 175.050 174.700 0.059 0.000 1.269 258 T CA -0.408 61.728 62.100 0.059 0.000 1.371 258 T CB -0.415 68.487 68.868 0.057 0.000 1.002 258 T HN 0.387 nan 8.240 nan 0.000 0.637 259 I N 2.851 123.458 120.570 0.061 0.000 2.664 259 I HA 0.040 4.210 4.170 0.000 0.000 0.284 259 I C 0.635 176.793 176.117 0.068 0.000 1.154 259 I CA 0.537 61.873 61.300 0.060 0.000 1.402 259 I CB 0.181 38.218 38.000 0.061 0.000 1.395 259 I HN 0.220 nan 8.210 nan 0.000 0.545 260 T N 3.995 118.583 114.554 0.058 0.000 2.824 260 T HA 0.352 4.703 4.350 0.000 0.000 0.280 260 T C 0.932 175.663 174.700 0.051 0.000 0.995 260 T CA -0.530 61.605 62.100 0.058 0.000 1.009 260 T CB 1.632 70.529 68.868 0.049 0.000 0.955 260 T HN 0.783 nan 8.240 nan 0.000 0.452 261 T N -1.450 113.136 114.554 0.054 0.000 2.966 261 T HA 0.402 4.752 4.350 0.000 0.000 0.254 261 T C 1.735 176.457 174.700 0.035 0.000 0.961 261 T CA 0.671 62.797 62.100 0.045 0.000 0.915 261 T CB 0.033 68.933 68.868 0.053 0.000 1.186 261 T HN 1.062 nan 8.240 nan 0.000 0.505 262 G N 1.878 110.699 108.800 0.035 0.000 2.179 262 G HA2 -0.058 3.902 3.960 0.000 0.000 0.260 262 G HA3 -0.058 3.902 3.960 0.000 0.000 0.260 262 G C 0.529 175.441 174.900 0.021 0.000 0.977 262 G CA 0.091 45.203 45.100 0.020 0.000 0.641 262 G HN 1.316 nan 8.290 nan 0.000 0.533 263 A N 0.765 123.607 122.820 0.038 0.000 2.475 263 A HA 0.544 4.865 4.320 0.000 0.000 0.239 263 A C 0.066 177.673 177.584 0.037 0.000 1.087 263 A CA 0.388 52.450 52.037 0.041 0.000 0.779 263 A CB 0.355 19.392 19.000 0.061 0.000 1.036 263 A HN 0.248 nan 8.150 nan 0.000 0.506 264 P HA 0.122 nan 4.420 nan 0.000 0.251 264 P C -0.362 176.972 177.300 0.056 0.000 1.223 264 P CA 0.420 63.539 63.100 0.032 0.000 0.796 264 P CB 0.073 31.789 31.700 0.026 0.000 1.068 265 V N 0.637 120.577 119.914 0.042 0.000 2.357 265 V HA 0.289 4.409 4.120 0.000 0.000 0.284 265 V C 0.172 176.264 176.094 -0.002 0.000 1.018 265 V CA -0.135 62.153 62.300 -0.020 0.000 0.841 265 V CB 1.429 33.207 31.823 -0.075 0.000 0.991 265 V HN -0.082 nan 8.190 nan 0.000 0.437 266 T N 5.017 119.561 114.554 -0.017 0.000 2.794 266 T HA 0.609 4.959 4.350 0.000 0.000 0.280 266 T C -0.815 173.784 174.700 -0.167 0.000 0.987 266 T CA -0.152 61.961 62.100 0.022 0.000 0.993 266 T CB 0.700 69.656 68.868 0.146 0.000 0.939 266 T HN 0.420 nan 8.240 nan 0.000 0.449 267 Y N 1.246 121.547 120.300 0.002 0.000 2.420 267 Y HA 0.621 5.171 4.550 0.000 0.000 0.334 267 Y C 0.714 176.604 175.900 -0.018 0.000 1.094 267 Y CA -0.351 57.733 58.100 -0.026 0.000 1.126 267 Y CB 1.994 40.489 38.460 0.058 0.000 1.217 267 Y HN 0.621 nan 8.280 nan 0.000 0.462 268 S N 0.675 116.422 115.700 0.079 0.000 2.537 268 S HA 0.447 4.918 4.470 0.000 0.000 0.271 268 S C -0.842 173.724 174.600 -0.056 0.000 1.148 268 S CA -0.809 57.405 58.200 0.024 0.000 0.868 268 S CB 0.760 63.959 63.200 -0.001 0.000 1.115 268 S HN 0.755 nan 8.310 nan 0.000 0.461 269 T N 2.004 116.554 114.554 -0.008 0.000 2.868 269 T HA 0.373 4.723 4.350 0.000 0.000 0.292 269 T C 0.900 175.568 174.700 -0.053 0.000 1.028 269 T CA -0.093 61.987 62.100 -0.033 0.000 1.059 269 T CB 0.197 69.091 68.868 0.042 0.000 0.991 269 T HN 0.611 nan 8.240 nan 0.000 0.531 270 Y N 1.720 122.026 120.300 0.009 0.000 2.207 270 Y HA 0.034 4.584 4.550 0.000 0.000 0.287 270 Y C 2.776 178.699 175.900 0.039 0.000 1.156 270 Y CA 1.807 59.913 58.100 0.010 0.000 1.182 270 Y CB -1.074 37.357 38.460 -0.049 0.000 0.979 270 Y HN 0.907 nan 8.280 nan 0.000 0.521 271 G N -0.315 108.577 108.800 0.152 0.000 2.459 271 G HA2 -0.338 3.622 3.960 0.000 0.000 0.217 271 G HA3 -0.338 3.622 3.960 0.000 0.000 0.217 271 G C 1.691 176.645 174.900 0.091 0.000 1.183 271 G CA 1.323 46.478 45.100 0.092 0.000 0.776 271 G HN 0.259 nan 8.290 nan 0.000 0.552 272 K N -0.058 120.395 120.400 0.088 0.000 2.097 272 K HA -0.033 4.287 4.320 0.000 0.000 0.206 272 K C 2.054 178.708 176.600 0.090 0.000 1.049 272 K CA 0.993 57.332 56.287 0.087 0.000 0.933 272 K CB -0.578 31.969 32.500 0.078 0.000 0.717 272 K HN 0.259 nan 8.250 nan 0.000 0.442 273 F N 0.801 120.725 119.950 -0.044 0.000 2.095 273 F HA -0.175 4.352 4.527 0.000 0.000 0.298 273 F C 1.464 177.211 175.800 -0.089 0.000 1.104 273 F CA 1.592 59.553 58.000 -0.064 0.000 1.232 273 F CB -0.264 38.682 39.000 -0.090 0.000 0.987 273 F HN -0.020 nan 8.300 nan 0.000 0.475 274 L N 0.013 121.115 121.223 -0.202 0.000 2.046 274 L HA -0.192 4.148 4.340 0.000 0.000 0.208 274 L C 2.847 179.532 176.870 -0.308 0.000 1.077 274 L CA 1.199 55.738 54.840 -0.502 0.000 0.747 274 L CB -1.247 40.221 42.059 -0.985 0.000 0.896 274 L HN 0.267 nan 8.230 nan 0.000 0.432 275 A N -0.116 122.684 122.820 -0.034 0.000 1.908 275 A HA -0.243 4.077 4.320 0.000 0.000 0.218 275 A C 1.874 179.475 177.584 0.028 0.000 1.181 275 A CA 2.018 54.150 52.037 0.158 0.000 0.627 275 A CB -0.591 18.523 19.000 0.190 0.000 0.818 275 A HN 0.387 nan 8.150 nan 0.000 0.445 276 D N -1.100 119.268 120.400 -0.053 0.000 2.351 276 D HA 0.111 4.751 4.640 0.000 0.000 0.216 276 D C 1.371 177.588 176.300 -0.139 0.000 0.968 276 D CA 1.359 55.315 54.000 -0.074 0.000 0.899 276 D CB -0.256 40.505 40.800 -0.065 0.000 0.907 276 D HN 0.729 nan 8.370 nan 0.000 0.514 277 G N -0.614 108.056 108.800 -0.216 0.000 2.131 277 G HA2 -0.044 3.916 3.960 0.000 0.000 0.223 277 G HA3 -0.044 3.916 3.960 0.000 0.000 0.223 277 G C 0.859 175.535 174.900 -0.372 0.000 0.990 277 G CA 0.240 45.209 45.100 -0.218 0.000 0.671 277 G HN 0.797 nan 8.290 nan 0.000 0.521 278 G N -1.388 106.948 108.800 -0.773 0.000 2.509 278 G HA2 -0.090 3.870 3.960 0.000 0.000 0.256 278 G HA3 -0.090 3.870 3.960 0.000 0.000 0.256 278 G C 0.585 175.110 174.900 -0.626 0.000 1.152 278 G CA 0.450 44.854 45.100 -1.160 0.000 0.951 278 G HN 1.602 nan 8.290 nan 0.000 0.559 279 C N 0.873 120.099 119.300 -0.124 0.000 2.435 279 C HA 0.708 5.169 4.460 0.000 0.000 0.375 279 C C 1.041 176.060 174.990 0.049 0.000 1.281 279 C CA 0.587 59.668 59.018 0.105 0.000 1.963 279 C CB 0.657 28.492 27.740 0.158 0.000 2.490 279 C HN 0.936 nan 8.230 nan 0.000 0.557 280 S N 2.345 118.107 115.700 0.104 0.000 2.438 280 S HA 0.555 5.025 4.470 0.000 0.000 0.316 280 S C 0.464 175.105 174.600 0.068 0.000 1.084 280 S CA -0.259 57.981 58.200 0.067 0.000 1.107 280 S CB 0.421 63.664 63.200 0.072 0.000 0.981 280 S HN 1.156 nan 8.310 nan 0.000 0.466 281 G N 3.025 111.845 108.800 0.034 0.000 2.228 281 G HA2 0.277 4.237 3.960 0.000 0.000 0.242 281 G HA3 0.277 4.237 3.960 0.000 0.000 0.242 281 G C 1.261 176.168 174.900 0.012 0.000 0.987 281 G CA 0.308 45.420 45.100 0.020 0.000 0.893 281 G HN 2.000 nan 8.290 nan 0.000 0.418 282 G N 1.090 109.898 108.800 0.013 0.000 2.175 282 G HA2 -0.020 3.940 3.960 0.000 0.000 0.265 282 G HA3 -0.020 3.940 3.960 0.000 0.000 0.265 282 G C 1.322 176.191 174.900 -0.051 0.000 0.979 282 G CA 1.397 46.492 45.100 -0.008 0.000 0.663 282 G HN 1.931 nan 8.290 nan 0.000 0.533 283 A N -1.533 121.253 122.820 -0.057 0.000 2.021 283 A HA 0.590 4.910 4.320 0.000 0.000 0.216 283 A C 0.655 177.896 177.584 -0.571 0.000 1.163 283 A CA 1.237 53.094 52.037 -0.300 0.000 0.676 283 A CB 0.196 19.042 19.000 -0.256 0.000 0.818 283 A HN 0.810 nan 8.150 nan 0.000 0.453 284 Y N -1.506 118.799 120.300 0.010 0.000 2.504 284 Y HA 0.344 4.894 4.550 0.000 0.000 0.344 284 Y C 0.117 176.012 175.900 -0.007 0.000 1.023 284 Y CA -1.179 56.917 58.100 -0.006 0.000 1.020 284 Y CB 1.575 40.020 38.460 -0.025 0.000 1.282 284 Y HN 0.075 nan 8.280 nan 0.000 0.454 285 D N 1.567 122.053 120.400 0.143 0.000 2.277 285 D HA 0.169 4.809 4.640 0.000 0.000 0.209 285 D C -0.032 176.230 176.300 -0.062 0.000 0.970 285 D CA 1.369 55.404 54.000 0.059 0.000 0.874 285 D CB 1.079 41.955 40.800 0.126 0.000 0.982 285 D HN 0.343 nan 8.370 nan 0.000 0.504 286 I N 1.446 121.960 120.570 -0.095 0.000 2.512 286 I HA 0.278 4.448 4.170 0.000 0.000 0.287 286 I C -0.775 175.211 176.117 -0.218 0.000 1.069 286 I CA -0.522 60.621 61.300 -0.261 0.000 1.056 286 I CB 2.712 40.402 38.000 -0.518 0.000 1.229 286 I HN -0.317 nan 8.210 nan 0.000 0.429 287 I N 6.903 127.339 120.570 -0.225 0.000 2.330 287 I HA 0.413 4.584 4.170 0.000 0.000 0.289 287 I C -0.282 175.675 176.117 -0.265 0.000 1.001 287 I CA -0.477 60.658 61.300 -0.275 0.000 1.193 287 I CB 1.313 39.171 38.000 -0.237 0.000 1.345 287 I HN 0.367 nan 8.210 nan 0.000 0.461 288 I N 5.788 126.188 120.570 -0.283 0.000 2.291 288 I HA 0.197 4.367 4.170 0.000 0.000 0.290 288 I C -0.188 175.808 176.117 -0.203 0.000 1.050 288 I CA -0.387 60.785 61.300 -0.214 0.000 1.245 288 I CB 0.944 38.836 38.000 -0.181 0.000 1.405 288 I HN 0.593 nan 8.210 nan 0.000 0.478 289 C N 5.117 124.344 119.300 -0.122 0.000 2.311 289 C HA 0.139 4.599 4.460 0.000 0.000 0.357 289 C C 0.740 175.769 174.990 0.066 0.000 1.086 289 C CA -0.428 58.596 59.018 0.010 0.000 1.486 289 C CB -1.470 26.308 27.740 0.062 0.000 1.974 289 C HN 0.591 nan 8.230 nan 0.000 0.508 290 D N 2.129 122.554 120.400 0.041 0.000 2.329 290 D HA 0.101 4.741 4.640 0.000 0.000 0.246 290 D C 0.552 176.934 176.300 0.137 0.000 1.111 290 D CA 0.309 54.352 54.000 0.071 0.000 0.941 290 D CB 0.691 41.510 40.800 0.032 0.000 1.169 290 D HN 0.563 nan 8.370 nan 0.000 0.441 291 E N 1.094 121.371 120.200 0.127 0.000 2.183 291 E HA -0.218 4.133 4.350 0.000 0.000 0.196 291 E C 1.037 177.503 176.600 -0.222 0.000 1.364 291 E CA 0.509 56.912 56.400 0.004 0.000 0.700 291 E CB -2.528 27.173 29.700 0.001 0.000 1.106 291 E HN 0.526 nan 8.360 nan 0.000 0.347 292 C N -1.190 118.088 119.300 -0.037 0.000 2.573 292 C HA 0.101 4.562 4.460 0.000 0.000 0.273 292 C C 1.932 176.884 174.990 -0.064 0.000 1.346 292 C CA 0.135 59.120 59.018 -0.055 0.000 1.702 292 C CB -1.247 26.509 27.740 0.026 0.000 1.751 292 C HN 0.643 nan 8.230 nan 0.000 0.583 293 H N -0.103 118.992 119.070 0.041 0.000 2.551 293 H HA 0.109 4.665 4.556 0.000 0.000 0.266 293 H C 0.990 176.323 175.328 0.007 0.000 0.964 293 H CA 0.792 56.856 56.048 0.028 0.000 1.180 293 H CB -0.504 29.269 29.762 0.017 0.000 1.408 293 H HN 0.474 nan 8.280 nan 0.000 0.563 294 S N 2.047 117.420 115.700 -0.546 0.000 2.533 294 S HA 0.067 4.537 4.470 0.000 0.000 0.282 294 S C 1.021 175.483 174.600 -0.229 0.000 1.304 294 S CA 0.190 58.208 58.200 -0.305 0.000 1.063 294 S CB 0.464 63.467 63.200 -0.328 0.000 0.881 294 S HN 0.611 nan 8.310 nan 0.000 0.493 295 T N 1.057 115.491 114.554 -0.200 0.000 3.296 295 T HA 0.212 4.562 4.350 0.000 0.000 0.285 295 T C 0.089 174.572 174.700 -0.363 0.000 1.014 295 T CA -0.690 61.186 62.100 -0.374 0.000 0.920 295 T CB -0.456 68.202 68.868 -0.350 0.000 1.143 295 T HN 0.756 nan 8.240 nan 0.000 0.522 296 D N 1.394 121.636 120.400 -0.263 0.000 2.357 296 D HA 0.040 4.680 4.640 0.000 0.000 0.242 296 D C 1.364 177.482 176.300 -0.302 0.000 1.153 296 D CA 0.098 53.962 54.000 -0.227 0.000 0.918 296 D CB 1.596 42.306 40.800 -0.149 0.000 1.181 296 D HN 0.262 nan 8.370 nan 0.000 0.435 297 S N 1.388 116.931 115.700 -0.262 0.000 2.399 297 S HA -0.192 4.278 4.470 0.000 0.000 0.231 297 S C 1.729 176.180 174.600 -0.248 0.000 1.022 297 S CA 1.427 59.460 58.200 -0.278 0.000 0.983 297 S CB -0.801 62.264 63.200 -0.224 0.000 0.803 297 S HN 0.634 nan 8.310 nan 0.000 0.480 298 T N 2.092 116.538 114.554 -0.180 0.000 2.777 298 T HA -0.066 4.284 4.350 0.000 0.000 0.266 298 T C 1.971 176.526 174.700 -0.243 0.000 1.040 298 T CA 1.885 63.908 62.100 -0.128 0.000 1.141 298 T CB -0.974 67.868 68.868 -0.043 0.000 0.868 298 T HN 0.568 nan 8.240 nan 0.000 0.444 299 T N 2.563 116.899 114.554 -0.363 0.000 2.737 299 T HA -0.007 4.343 4.350 0.000 0.000 0.265 299 T C 1.960 176.308 174.700 -0.587 0.000 1.038 299 T CA 0.711 62.394 62.100 -0.695 0.000 1.144 299 T CB -0.270 68.241 68.868 -0.596 0.000 0.866 299 T HN 0.188 nan 8.240 nan 0.000 0.434 300 I N 1.002 121.262 120.570 -0.516 0.000 2.226 300 I HA -0.064 4.106 4.170 0.000 0.000 0.245 300 I C 2.272 178.129 176.117 -0.433 0.000 1.100 300 I CA 1.076 61.989 61.300 -0.645 0.000 1.374 300 I CB -1.306 36.174 38.000 -0.867 0.000 1.057 300 I HN 0.216 nan 8.210 nan 0.000 0.413 301 L N 1.137 122.156 121.223 -0.340 0.000 2.179 301 L HA 0.080 4.420 4.340 0.000 0.000 0.208 301 L C 2.347 179.137 176.870 -0.134 0.000 1.096 301 L CA 1.781 56.480 54.840 -0.235 0.000 0.779 301 L CB -1.034 40.892 42.059 -0.221 0.000 0.922 301 L HN 0.173 nan 8.230 nan 0.000 0.443 302 G N -0.238 108.482 108.800 -0.133 0.000 2.404 302 G HA2 -0.194 3.766 3.960 0.000 0.000 0.215 302 G HA3 -0.194 3.766 3.960 0.000 0.000 0.215 302 G C 1.620 176.566 174.900 0.076 0.000 1.174 302 G CA 0.995 46.142 45.100 0.078 0.000 0.780 302 G HN 0.421 nan 8.290 nan 0.000 0.537 303 I N 1.346 121.854 120.570 -0.103 0.000 2.226 303 I HA -0.105 4.065 4.170 0.000 0.000 0.245 303 I C 3.064 179.250 176.117 0.115 0.000 1.100 303 I CA 1.018 62.328 61.300 0.018 0.000 1.374 303 I CB -0.480 37.530 38.000 0.016 0.000 1.057 303 I HN 0.257 nan 8.210 nan 0.000 0.413 304 G N 0.170 109.063 108.800 0.155 0.000 2.432 304 G HA2 -0.215 3.746 3.960 0.000 0.000 0.219 304 G HA3 -0.215 3.746 3.960 0.000 0.000 0.219 304 G C 1.641 176.594 174.900 0.088 0.000 1.135 304 G CA 1.379 46.569 45.100 0.151 0.000 0.767 304 G HN 0.297 nan 8.290 nan 0.000 0.550 305 T N 0.697 115.307 114.554 0.093 0.000 2.770 305 T HA -0.064 4.287 4.350 0.000 0.000 0.263 305 T C 2.577 177.383 174.700 0.177 0.000 1.039 305 T CA 1.026 63.200 62.100 0.123 0.000 1.142 305 T CB -0.241 68.723 68.868 0.160 0.000 0.868 305 T HN 0.058 nan 8.240 nan 0.000 0.435 306 V N 1.920 121.954 119.914 0.200 0.000 2.252 306 V HA -0.173 3.948 4.120 0.000 0.000 0.249 306 V C 2.519 178.664 176.094 0.085 0.000 1.056 306 V CA 1.654 64.027 62.300 0.121 0.000 1.022 306 V CB -0.764 31.052 31.823 -0.012 0.000 0.641 306 V HN 0.440 nan 8.190 nan 0.000 0.445 307 L N 0.049 121.315 121.223 0.072 0.000 2.131 307 L HA -0.206 4.134 4.340 0.000 0.000 0.210 307 L C 2.266 179.158 176.870 0.037 0.000 1.092 307 L CA 2.049 56.929 54.840 0.066 0.000 0.759 307 L CB -0.573 41.515 42.059 0.048 0.000 0.903 307 L HN 0.453 nan 8.230 nan 0.000 0.435 308 D N -1.102 119.318 120.400 0.033 0.000 2.289 308 D HA -0.131 4.509 4.640 0.000 0.000 0.207 308 D C 2.108 178.392 176.300 -0.026 0.000 0.966 308 D CA 0.890 54.892 54.000 0.003 0.000 0.868 308 D CB 0.349 41.157 40.800 0.013 0.000 0.943 308 D HN 0.292 nan 8.370 nan 0.000 0.514 309 Q N -0.882 118.915 119.800 -0.005 0.000 2.431 309 Q HA 0.305 4.645 4.340 0.000 0.000 0.244 309 Q C 2.037 178.014 176.000 -0.038 0.000 0.880 309 Q CA 0.413 56.209 55.803 -0.011 0.000 0.954 309 Q CB 0.404 29.166 28.738 0.040 0.000 1.105 309 Q HN 0.234 nan 8.270 nan 0.000 0.558 310 A N 1.837 124.643 122.820 -0.023 0.000 1.883 310 A HA -0.288 4.033 4.320 0.000 0.000 0.217 310 A C 1.894 179.392 177.584 -0.143 0.000 1.186 310 A CA 1.931 53.969 52.037 0.001 0.000 0.624 310 A CB -0.498 18.581 19.000 0.132 0.000 0.822 310 A HN 0.403 nan 8.150 nan 0.000 0.444 311 E N -0.962 118.923 120.200 -0.524 0.000 2.031 311 E HA -0.168 4.183 4.350 0.000 0.000 0.193 311 E C 1.983 178.406 176.600 -0.294 0.000 0.994 311 E CA 1.734 57.690 56.400 -0.739 0.000 0.800 311 E CB -0.197 28.784 29.700 -1.198 0.000 0.752 311 E HN 0.555 nan 8.360 nan 0.000 0.447 312 T N 0.245 114.670 114.554 -0.217 0.000 2.849 312 T HA -0.109 4.241 4.350 0.000 0.000 0.270 312 T C 1.506 176.170 174.700 -0.059 0.000 1.066 312 T CA 1.096 63.129 62.100 -0.112 0.000 1.130 312 T CB -0.144 68.672 68.868 -0.086 0.000 0.864 312 T HN 0.275 nan 8.240 nan 0.000 0.481 313 A N 0.261 123.057 122.820 -0.040 0.000 2.278 313 A HA 0.541 4.862 4.320 0.000 0.000 0.212 313 A C 1.798 179.398 177.584 0.028 0.000 1.213 313 A CA 0.592 52.636 52.037 0.011 0.000 0.840 313 A CB -0.710 18.321 19.000 0.052 0.000 0.866 313 A HN 0.681 nan 8.150 nan 0.000 0.489 314 G N -1.862 106.943 108.800 0.009 0.000 2.132 314 G HA2 0.097 4.057 3.960 0.000 0.000 0.234 314 G HA3 0.097 4.057 3.960 0.000 0.000 0.234 314 G C 0.405 175.350 174.900 0.074 0.000 0.989 314 G CA 0.255 45.374 45.100 0.032 0.000 0.676 314 G HN 1.560 nan 8.290 nan 0.000 0.522 315 A N -0.316 122.567 122.820 0.106 0.000 2.386 315 A HA 0.729 5.049 4.320 0.000 0.000 0.248 315 A C 1.428 179.141 177.584 0.215 0.000 1.082 315 A CA 0.354 52.484 52.037 0.155 0.000 0.789 315 A CB 0.374 19.491 19.000 0.194 0.000 1.025 315 A HN 0.276 nan 8.150 nan 0.000 0.490 316 R N -0.394 120.156 120.500 0.082 0.000 2.156 316 R HA 0.190 4.530 4.340 0.000 0.000 0.207 316 R C -0.706 175.500 176.300 -0.157 0.000 1.040 316 R CA 0.521 56.627 56.100 0.010 0.000 1.013 316 R CB -0.242 30.006 30.300 -0.086 0.000 0.931 316 R HN 0.597 nan 8.270 nan 0.000 0.465 317 L N 0.199 121.289 121.223 -0.222 0.000 2.543 317 L HA 0.338 4.678 4.340 0.000 0.000 0.265 317 L C -1.535 175.145 176.870 -0.317 0.000 0.945 317 L CA -0.577 54.029 54.840 -0.389 0.000 0.869 317 L CB 2.321 44.134 42.059 -0.411 0.000 1.294 317 L HN -0.309 nan 8.230 nan 0.000 0.405 318 V N 5.487 125.183 119.914 -0.364 0.000 2.398 318 V HA 0.577 4.698 4.120 0.000 0.000 0.286 318 V C -0.369 175.558 176.094 -0.279 0.000 1.026 318 V CA -0.614 61.540 62.300 -0.244 0.000 0.868 318 V CB 1.725 33.468 31.823 -0.133 0.000 0.982 318 V HN 0.524 nan 8.190 nan 0.000 0.443 319 V N 6.780 126.553 119.914 -0.236 0.000 2.384 319 V HA 0.426 4.546 4.120 0.000 0.000 0.287 319 V C -0.149 175.849 176.094 -0.161 0.000 1.020 319 V CA -0.496 61.682 62.300 -0.203 0.000 0.850 319 V CB 1.531 33.269 31.823 -0.142 0.000 0.987 319 V HN 0.652 nan 8.190 nan 0.000 0.436 320 L N 5.078 126.185 121.223 -0.194 0.000 2.259 320 L HA 0.759 5.099 4.340 0.000 0.000 0.288 320 L C 0.406 177.300 176.870 0.040 0.000 1.051 320 L CA -0.143 54.642 54.840 -0.092 0.000 0.824 320 L CB 0.970 42.940 42.059 -0.148 0.000 1.206 320 L HN 0.697 nan 8.230 nan 0.000 0.429 321 A N 2.703 125.568 122.820 0.075 0.000 2.331 321 A HA 0.846 5.166 4.320 0.000 0.000 0.320 321 A C -0.267 177.430 177.584 0.189 0.000 1.138 321 A CA -0.436 51.678 52.037 0.128 0.000 0.790 321 A CB 1.776 20.821 19.000 0.075 0.000 1.206 321 A HN 0.559 nan 8.150 nan 0.000 0.470 322 T N 0.250 114.950 114.554 0.244 0.000 2.893 322 T HA 0.494 4.845 4.350 0.000 0.000 0.337 322 T C 0.435 175.228 174.700 0.155 0.000 1.587 322 T CA 0.420 62.666 62.100 0.244 0.000 1.066 322 T CB 1.185 70.237 68.868 0.308 0.000 1.414 322 T HN 1.490 nan 8.240 nan 0.000 0.488 323 A N 1.620 124.491 122.820 0.084 0.000 2.218 323 A HA 0.355 4.675 4.320 0.000 0.000 0.209 323 A C 1.062 178.606 177.584 -0.066 0.000 1.168 323 A CA 1.179 53.228 52.037 0.020 0.000 0.804 323 A CB -0.256 18.754 19.000 0.017 0.000 0.834 323 A HN 1.189 nan 8.150 nan 0.000 0.482 324 T N -1.377 113.105 114.554 -0.120 0.000 3.428 324 T HA 0.443 4.793 4.350 0.000 0.000 0.301 324 T C -3.099 171.524 174.700 -0.130 0.000 1.323 324 T CA -1.668 60.334 62.100 -0.163 0.000 1.647 324 T CB 1.285 70.006 68.868 -0.244 0.000 0.871 324 T HN 0.070 nan 8.240 nan 0.000 0.627 325 P HA 0.359 nan 4.420 nan 0.000 0.274 325 P C -2.669 174.547 177.300 -0.140 0.000 1.246 325 P CA -1.622 61.327 63.100 -0.253 0.000 0.795 325 P CB -0.270 30.994 31.700 -0.726 0.000 1.006 326 P HA 0.014 nan 4.420 nan 0.000 0.265 326 P C 1.022 178.243 177.300 -0.131 0.000 1.193 326 P CA 1.200 64.259 63.100 -0.068 0.000 0.765 326 P CB -0.189 31.464 31.700 -0.078 0.000 0.823 327 G N 1.715 110.477 108.800 -0.063 0.000 2.217 327 G HA2 -0.245 3.715 3.960 0.000 0.000 0.246 327 G HA3 -0.245 3.715 3.960 0.000 0.000 0.246 327 G C 0.377 175.281 174.900 0.007 0.000 0.990 327 G CA 0.317 45.386 45.100 -0.051 0.000 0.627 327 G HN 0.866 nan 8.290 nan 0.000 0.522 328 S N -0.231 115.451 115.700 -0.029 0.000 2.603 328 S HA 0.770 5.240 4.470 0.000 0.000 0.268 328 S C 0.427 175.023 174.600 -0.007 0.000 1.317 328 S CA 0.264 58.442 58.200 -0.037 0.000 1.012 328 S CB 2.107 65.257 63.200 -0.083 0.000 0.926 328 S HN 1.900 nan 8.310 nan 0.000 0.539 329 V N -1.501 118.404 119.914 -0.015 0.000 3.074 329 V HA 0.676 4.797 4.120 0.000 0.000 0.314 329 V C -0.113 175.959 176.094 -0.037 0.000 1.117 329 V CA -1.022 61.268 62.300 -0.016 0.000 1.014 329 V CB 1.163 32.986 31.823 -0.001 0.000 1.057 329 V HN 0.891 nan 8.190 nan 0.000 0.438 330 T N 3.052 117.574 114.554 -0.053 0.000 2.738 330 T HA 0.480 4.830 4.350 0.000 0.000 0.293 330 T C 0.076 174.745 174.700 -0.052 0.000 0.913 330 T CA 0.129 62.186 62.100 -0.073 0.000 1.103 330 T CB 0.180 68.979 68.868 -0.115 0.000 0.880 330 T HN 1.224 nan 8.240 nan 0.000 0.526 331 V N 2.419 122.313 119.914 -0.034 0.000 2.732 331 V HA 0.686 4.806 4.120 0.000 0.000 0.310 331 V C -2.570 173.520 176.094 -0.006 0.000 1.053 331 V CA -3.061 59.229 62.300 -0.017 0.000 0.957 331 V CB 0.592 32.410 31.823 -0.008 0.000 1.018 331 V HN 0.454 nan 8.190 nan 0.000 0.452 332 P HA 0.074 nan 4.420 nan 0.000 0.261 332 P C -0.644 176.683 177.300 0.045 0.000 1.173 332 P CA 0.556 63.672 63.100 0.027 0.000 0.760 332 P CB -0.067 31.647 31.700 0.024 0.000 0.783 333 H N 5.768 124.827 119.070 -0.019 0.000 2.488 333 H HA 0.160 4.716 4.556 0.000 0.000 0.322 333 H C -1.509 173.824 175.328 0.008 0.000 1.078 333 H CA -2.149 53.892 56.048 -0.011 0.000 1.260 333 H CB 1.652 31.400 29.762 -0.024 0.000 1.425 333 H HN 0.281 nan 8.280 nan 0.000 0.471 334 P HA -0.110 nan 4.420 nan 0.000 0.221 334 P C 0.440 177.800 177.300 0.101 0.000 1.145 334 P CA 0.866 63.949 63.100 -0.028 0.000 0.795 334 P CB 0.612 32.248 31.700 -0.107 0.000 0.775 335 N N -0.496 118.386 118.700 0.302 0.000 2.336 335 N HA 0.144 4.884 4.740 0.000 0.000 0.189 335 N C 0.474 176.100 175.510 0.194 0.000 1.113 335 N CA 0.273 53.478 53.050 0.258 0.000 0.858 335 N CB 0.228 38.893 38.487 0.296 0.000 0.970 335 N HN 0.290 nan 8.380 nan 0.000 0.471 336 I N 0.259 120.954 120.570 0.208 0.000 2.447 336 I HA 0.214 4.384 4.170 0.000 0.000 0.287 336 I C -0.028 176.172 176.117 0.138 0.000 1.023 336 I CA -0.733 60.650 61.300 0.139 0.000 1.083 336 I CB 2.451 40.498 38.000 0.079 0.000 1.245 336 I HN -0.140 nan 8.210 nan 0.000 0.434 337 E N 6.372 126.654 120.200 0.137 0.000 2.266 337 E HA 0.341 4.691 4.350 0.000 0.000 0.277 337 E C -0.982 175.736 176.600 0.198 0.000 1.018 337 E CA -0.467 56.017 56.400 0.140 0.000 0.840 337 E CB 1.268 31.033 29.700 0.109 0.000 1.082 337 E HN 0.546 nan 8.360 nan 0.000 0.395 338 E N 2.458 122.796 120.200 0.230 0.000 2.176 338 E HA 0.403 4.753 4.350 0.000 0.000 0.267 338 E C -1.243 175.539 176.600 0.304 0.000 0.893 338 E CA -0.830 55.796 56.400 0.377 0.000 0.761 338 E CB 2.299 32.264 29.700 0.442 0.000 1.133 338 E HN 0.163 nan 8.360 nan 0.000 0.409 339 V N 1.681 121.702 119.914 0.178 0.000 2.525 339 V HA 0.411 4.531 4.120 0.000 0.000 0.299 339 V C -0.019 175.768 176.094 -0.512 0.000 1.034 339 V CA -1.062 61.200 62.300 -0.064 0.000 0.863 339 V CB 1.588 33.375 31.823 -0.059 0.000 0.999 339 V HN 0.832 nan 8.190 nan 0.000 0.423 340 A N 5.781 128.167 122.820 -0.724 0.000 2.524 340 A HA 0.503 4.823 4.320 0.000 0.000 0.250 340 A C 0.198 177.462 177.584 -0.534 0.000 1.078 340 A CA -0.009 51.364 52.037 -1.107 0.000 0.761 340 A CB -0.090 18.582 19.000 -0.547 0.000 1.012 340 A HN 0.847 nan 8.150 nan 0.000 0.500 341 L N 2.280 123.216 121.223 -0.478 0.000 2.479 341 L HA 0.251 4.591 4.340 0.000 0.000 0.270 341 L C 1.167 177.957 176.870 -0.132 0.000 1.236 341 L CA 0.390 55.100 54.840 -0.217 0.000 0.823 341 L CB 0.491 42.483 42.059 -0.111 0.000 1.098 341 L HN 0.967 nan 8.230 nan 0.000 0.500 342 S N -0.763 114.896 115.700 -0.069 0.000 2.704 342 S HA 0.316 4.786 4.470 0.000 0.000 0.296 342 S C 0.130 174.728 174.600 -0.004 0.000 1.138 342 S CA -0.916 57.264 58.200 -0.033 0.000 0.875 342 S CB 1.363 64.542 63.200 -0.036 0.000 1.151 342 S HN 0.544 nan 8.310 nan 0.000 0.500 343 N N 0.939 119.642 118.700 0.005 0.000 2.573 343 N HA 0.042 4.782 4.740 0.000 0.000 0.187 343 N C 0.243 175.758 175.510 0.009 0.000 1.107 343 N CA 1.164 54.222 53.050 0.014 0.000 0.918 343 N CB -0.032 38.463 38.487 0.013 0.000 0.966 343 N HN 0.805 nan 8.380 nan 0.000 0.448 344 T N -1.661 112.892 114.554 -0.001 0.000 2.756 344 T HA 0.751 5.101 4.350 0.000 0.000 0.290 344 T C 0.182 174.876 174.700 -0.011 0.000 0.985 344 T CA -0.514 61.583 62.100 -0.005 0.000 0.955 344 T CB 1.453 70.316 68.868 -0.009 0.000 0.930 344 T HN 0.116 nan 8.240 nan 0.000 0.451 345 G N 3.017 111.813 108.800 -0.007 0.000 2.321 345 G HA2 0.321 4.281 3.960 0.000 0.000 0.298 345 G HA3 0.321 4.281 3.960 0.000 0.000 0.298 345 G C -0.371 174.525 174.900 -0.006 0.000 1.385 345 G CA -0.661 44.431 45.100 -0.013 0.000 0.856 345 G HN 0.459 nan 8.290 nan 0.000 0.584 346 E N -0.814 119.379 120.200 -0.012 0.000 2.122 346 E HA 0.162 4.513 4.350 0.000 0.000 0.190 346 E C 0.814 177.416 176.600 0.004 0.000 0.977 346 E CA 0.755 57.151 56.400 -0.006 0.000 0.820 346 E CB 0.147 29.839 29.700 -0.014 0.000 0.770 346 E HN 0.438 nan 8.360 nan 0.000 0.462 347 I N 2.339 122.913 120.570 0.006 0.000 2.306 347 I HA 0.215 4.385 4.170 0.000 0.000 0.288 347 I C -2.408 173.757 176.117 0.079 0.000 1.036 347 I CA -2.521 58.797 61.300 0.031 0.000 1.221 347 I CB 1.149 39.157 38.000 0.012 0.000 1.385 347 I HN -0.217 nan 8.210 nan 0.000 0.472 348 P HA 0.033 nan 4.420 nan 0.000 0.264 348 P C -0.860 176.557 177.300 0.195 0.000 1.193 348 P CA 0.149 63.307 63.100 0.097 0.000 0.763 348 P CB 0.209 31.932 31.700 0.038 0.000 0.810 349 F N 5.129 125.102 119.950 0.038 0.000 2.716 349 F HA 0.309 4.836 4.527 0.000 0.000 0.354 349 F C -0.614 175.320 175.800 0.224 0.000 1.168 349 F CA -0.772 57.307 58.000 0.131 0.000 1.045 349 F CB 0.406 39.495 39.000 0.148 0.000 1.311 349 F HN 0.260 nan 8.300 nan 0.000 0.477 350 Y N 4.120 124.240 120.300 -0.300 0.000 3.037 350 Y HA -0.136 4.414 4.550 0.000 0.000 0.204 350 Y C 1.430 177.273 175.900 -0.094 0.000 1.275 350 Y CA 1.187 59.133 58.100 -0.257 0.000 1.066 350 Y CB -1.219 36.977 38.460 -0.439 0.000 1.305 350 Y HN 1.072 nan 8.280 nan 0.000 0.499 351 G N -1.858 106.959 108.800 0.028 0.000 2.225 351 G HA2 -0.317 3.644 3.960 0.000 0.000 0.254 351 G HA3 -0.317 3.644 3.960 0.000 0.000 0.254 351 G C 0.832 175.769 174.900 0.063 0.000 0.988 351 G CA 0.633 45.756 45.100 0.040 0.000 0.625 351 G HN 0.347 nan 8.290 nan 0.000 0.527 352 K N -0.140 120.322 120.400 0.104 0.000 2.092 352 K HA 0.961 5.281 4.320 0.000 0.000 0.256 352 K C 0.135 176.810 176.600 0.124 0.000 1.041 352 K CA 0.166 56.515 56.287 0.104 0.000 1.070 352 K CB 0.839 33.406 32.500 0.112 0.000 1.707 352 K HN 1.110 nan 8.250 nan 0.000 0.750 353 A N 0.459 123.347 122.820 0.112 0.000 2.574 353 A HA 0.676 4.996 4.320 0.000 0.000 0.297 353 A C -1.292 176.315 177.584 0.038 0.000 1.062 353 A CA -0.658 51.432 52.037 0.088 0.000 0.686 353 A CB 0.877 19.901 19.000 0.040 0.000 1.285 353 A HN 0.454 nan 8.150 nan 0.000 0.403 354 I N 2.078 122.652 120.570 0.006 0.000 2.362 354 I HA 0.349 4.519 4.170 0.000 0.000 0.289 354 I C -2.489 173.585 176.117 -0.072 0.000 0.994 354 I CA -2.215 59.037 61.300 -0.080 0.000 1.158 354 I CB 2.240 40.140 38.000 -0.166 0.000 1.315 354 I HN 0.301 nan 8.210 nan 0.000 0.451 355 P HA 0.168 nan 4.420 nan 0.000 0.276 355 P C 0.913 178.160 177.300 -0.088 0.000 1.253 355 P CA -0.059 63.000 63.100 -0.069 0.000 0.766 355 P CB 0.931 32.592 31.700 -0.065 0.000 0.845 356 I N 3.582 124.110 120.570 -0.070 0.000 2.530 356 I HA -0.236 3.934 4.170 0.000 0.000 0.257 356 I C 1.719 177.786 176.117 -0.083 0.000 1.179 356 I CA 1.269 62.523 61.300 -0.077 0.000 1.440 356 I CB 0.082 38.053 38.000 -0.049 0.000 1.087 356 I HN 0.372 nan 8.210 nan 0.000 0.440 357 E N 0.957 121.116 120.200 -0.068 0.000 2.418 357 E HA -0.136 4.215 4.350 0.000 0.000 0.197 357 E C 1.671 178.224 176.600 -0.079 0.000 1.026 357 E CA 1.032 57.398 56.400 -0.057 0.000 0.862 357 E CB -0.211 29.466 29.700 -0.037 0.000 0.799 357 E HN 0.558 nan 8.360 nan 0.000 0.518 358 A N 1.415 124.159 122.820 -0.126 0.000 2.238 358 A HA 0.236 4.556 4.320 0.000 0.000 0.210 358 A C 1.987 179.353 177.584 -0.363 0.000 1.179 358 A CA 0.368 52.307 52.037 -0.163 0.000 0.827 358 A CB -0.317 18.592 19.000 -0.151 0.000 0.856 358 A HN 0.375 nan 8.150 nan 0.000 0.488 359 I N -5.474 114.847 120.570 -0.415 0.000 4.557 359 I HA 0.367 4.538 4.170 0.000 0.000 0.333 359 I C 1.628 177.591 176.117 -0.257 0.000 1.332 359 I CA -0.056 60.795 61.300 -0.750 0.000 1.240 359 I CB 0.163 37.846 38.000 -0.528 0.000 1.312 359 I HN 0.052 nan 8.210 nan 0.000 0.457 360 R N 2.666 123.099 120.500 -0.112 0.000 2.091 360 R HA 0.048 4.388 4.340 0.000 0.000 0.238 360 R C 1.085 177.418 176.300 0.055 0.000 1.136 360 R CA 1.736 57.826 56.100 -0.018 0.000 0.959 360 R CB -0.258 30.031 30.300 -0.018 0.000 0.856 360 R HN 0.525 nan 8.270 nan 0.000 0.437 361 G N -1.272 107.592 108.800 0.106 0.000 2.452 361 G HA2 0.563 4.523 3.960 0.000 0.000 0.324 361 G HA3 0.563 4.523 3.960 0.000 0.000 0.324 361 G C -0.705 174.363 174.900 0.280 0.000 1.214 361 G CA -0.209 44.976 45.100 0.141 0.000 0.947 361 G HN 0.596 nan 8.290 nan 0.000 0.478 362 G N 0.693 109.570 108.800 0.128 0.000 2.396 362 G HA2 -0.002 3.959 3.960 0.000 0.000 0.254 362 G HA3 -0.002 3.959 3.960 0.000 0.000 0.254 362 G C -0.759 173.994 174.900 -0.244 0.000 1.248 362 G CA -0.995 44.064 45.100 -0.068 0.000 1.033 362 G HN 0.778 nan 8.290 nan 0.000 0.502 363 R N 0.745 120.960 120.500 -0.476 0.000 2.393 363 R HA 0.595 4.935 4.340 0.000 0.000 0.315 363 R C -0.888 175.222 176.300 -0.317 0.000 0.952 363 R CA -0.751 55.175 56.100 -0.289 0.000 0.842 363 R CB 1.262 31.447 30.300 -0.192 0.000 1.163 363 R HN 0.630 nan 8.270 nan 0.000 0.450 364 H N 2.783 122.044 119.070 0.318 0.000 2.806 364 H HA 0.318 4.874 4.556 0.000 0.000 0.367 364 H C -1.241 173.999 175.328 -0.146 0.000 1.136 364 H CA -0.958 55.167 56.048 0.129 0.000 1.178 364 H CB 2.602 32.367 29.762 0.005 0.000 1.718 364 H HN 0.215 nan 8.280 nan 0.000 0.540 365 L N 3.642 124.602 121.223 -0.438 0.000 2.349 365 L HA 0.482 4.823 4.340 0.000 0.000 0.278 365 L C -1.160 175.413 176.870 -0.495 0.000 0.996 365 L CA -0.393 53.943 54.840 -0.840 0.000 0.825 365 L CB 0.888 41.959 42.059 -1.647 0.000 1.243 365 L HN 0.524 nan 8.230 nan 0.000 0.412 366 I N 5.419 125.735 120.570 -0.424 0.000 2.389 366 I HA 0.306 4.476 4.170 0.000 0.000 0.288 366 I C -0.968 175.023 176.117 -0.210 0.000 0.999 366 I CA -0.431 60.718 61.300 -0.251 0.000 1.129 366 I CB 1.276 39.164 38.000 -0.188 0.000 1.288 366 I HN 0.451 nan 8.210 nan 0.000 0.444 367 F N 4.874 124.864 119.950 0.067 0.000 2.411 367 F HA 0.357 4.884 4.527 0.000 0.000 0.350 367 F C 0.428 176.354 175.800 0.209 0.000 1.114 367 F CA -0.177 57.890 58.000 0.112 0.000 1.135 367 F CB 1.051 40.100 39.000 0.082 0.000 1.120 367 F HN 0.372 nan 8.300 nan 0.000 0.495 368 C N 3.297 122.805 119.300 0.346 0.000 2.529 368 C HA 0.249 4.709 4.460 0.000 0.000 0.329 368 C C 1.752 176.859 174.990 0.196 0.000 1.194 368 C CA -0.588 58.602 59.018 0.286 0.000 1.779 368 C CB 1.357 29.279 27.740 0.304 0.000 2.322 368 C HN 0.968 nan 8.230 nan 0.000 0.500 369 H N 0.746 119.903 119.070 0.144 0.000 2.395 369 H HA -0.020 4.536 4.556 0.000 0.000 0.299 369 H C 0.694 176.078 175.328 0.093 0.000 1.070 369 H CA 1.570 57.675 56.048 0.095 0.000 1.356 369 H CB -0.001 29.806 29.762 0.075 0.000 1.401 369 H HN 0.600 nan 8.280 nan 0.000 0.524 370 S N 0.486 115.847 115.700 -0.566 0.000 2.568 370 S HA 0.291 4.761 4.470 0.000 0.000 0.302 370 S C 0.927 175.387 174.600 -0.233 0.000 1.082 370 S CA -0.640 57.330 58.200 -0.383 0.000 1.009 370 S CB 2.839 65.734 63.200 -0.508 0.000 1.069 370 S HN 0.532 nan 8.310 nan 0.000 0.500 371 K N 1.486 121.722 120.400 -0.273 0.000 2.365 371 K HA 0.007 4.328 4.320 0.000 0.000 0.199 371 K C 1.741 178.157 176.600 -0.307 0.000 1.045 371 K CA 0.800 56.827 56.287 -0.433 0.000 0.962 371 K CB -0.150 31.659 32.500 -1.152 0.000 0.759 371 K HN 0.607 nan 8.250 nan 0.000 0.469 372 K N 1.759 122.020 120.400 -0.232 0.000 2.007 372 K HA -0.134 4.186 4.320 0.000 0.000 0.206 372 K C 2.080 178.636 176.600 -0.073 0.000 1.047 372 K CA 1.297 57.506 56.287 -0.130 0.000 0.937 372 K CB 0.042 32.474 32.500 -0.113 0.000 0.718 372 K HN -0.068 nan 8.250 nan 0.000 0.438 373 K N 0.673 121.007 120.400 -0.110 0.000 2.160 373 K HA -0.125 4.196 4.320 0.000 0.000 0.206 373 K C 1.850 178.473 176.600 0.038 0.000 1.047 373 K CA 1.542 57.796 56.287 -0.055 0.000 0.930 373 K CB -0.481 31.959 32.500 -0.099 0.000 0.720 373 K HN 0.276 nan 8.250 nan 0.000 0.450 374 C N 0.580 119.910 119.300 0.050 0.000 2.432 374 C HA -0.102 4.359 4.460 0.000 0.000 0.277 374 C C 2.052 177.117 174.990 0.126 0.000 1.249 374 C CA 1.013 60.108 59.018 0.129 0.000 1.725 374 C CB -0.838 27.033 27.740 0.217 0.000 2.028 374 C HN 0.563 nan 8.230 nan 0.000 0.477 375 D N 0.495 120.967 120.400 0.119 0.000 2.104 375 D HA -0.116 4.524 4.640 0.000 0.000 0.194 375 D C 2.133 178.470 176.300 0.061 0.000 0.994 375 D CA 1.251 55.313 54.000 0.102 0.000 0.830 375 D CB -0.451 40.400 40.800 0.085 0.000 0.959 375 D HN 0.599 nan 8.370 nan 0.000 0.452 376 E N 0.244 120.469 120.200 0.041 0.000 2.031 376 E HA -0.143 4.207 4.350 0.000 0.000 0.193 376 E C 2.272 178.897 176.600 0.043 0.000 0.994 376 E CA 0.368 56.785 56.400 0.029 0.000 0.800 376 E CB -0.172 29.532 29.700 0.008 0.000 0.752 376 E HN 0.218 nan 8.360 nan 0.000 0.447 377 L N 0.618 121.881 121.223 0.066 0.000 1.994 377 L HA -0.200 4.141 4.340 0.000 0.000 0.208 377 L C 2.463 179.369 176.870 0.060 0.000 1.071 377 L CA 1.461 56.353 54.840 0.086 0.000 0.745 377 L CB -0.408 41.743 42.059 0.152 0.000 0.892 377 L HN 0.147 nan 8.230 nan 0.000 0.431 378 A N -0.485 122.371 122.820 0.060 0.000 1.972 378 A HA -0.167 4.153 4.320 0.000 0.000 0.219 378 A C 2.372 179.976 177.584 0.033 0.000 1.169 378 A CA 1.660 53.722 52.037 0.043 0.000 0.635 378 A CB -0.628 18.400 19.000 0.047 0.000 0.810 378 A HN 0.573 nan 8.150 nan 0.000 0.446 379 A N -0.290 122.551 122.820 0.035 0.000 1.897 379 A HA -0.062 4.258 4.320 0.000 0.000 0.215 379 A C 2.050 179.647 177.584 0.022 0.000 1.181 379 A CA 2.130 54.183 52.037 0.027 0.000 0.620 379 A CB -0.378 18.638 19.000 0.027 0.000 0.821 379 A HN 0.408 nan 8.150 nan 0.000 0.443 380 K N 0.351 120.766 120.400 0.024 0.000 2.020 380 K HA -0.076 4.244 4.320 0.000 0.000 0.212 380 K C 1.751 178.359 176.600 0.014 0.000 1.050 380 K CA 1.707 58.006 56.287 0.020 0.000 0.929 380 K CB -0.672 31.844 32.500 0.027 0.000 0.714 380 K HN 0.469 nan 8.250 nan 0.000 0.443 381 L N 0.031 121.262 121.223 0.015 0.000 2.046 381 L HA -0.144 4.196 4.340 0.000 0.000 0.208 381 L C 2.170 179.043 176.870 0.006 0.000 1.077 381 L CA 1.453 56.295 54.840 0.004 0.000 0.747 381 L CB -0.460 41.599 42.059 0.000 0.000 0.896 381 L HN 0.128 nan 8.230 nan 0.000 0.432 382 S N -0.075 115.631 115.700 0.011 0.000 2.507 382 S HA -0.057 4.413 4.470 0.000 0.000 0.235 382 S C 1.673 176.279 174.600 0.009 0.000 0.988 382 S CA 0.959 59.166 58.200 0.011 0.000 0.944 382 S CB -0.170 63.038 63.200 0.014 0.000 0.762 382 S HN 0.594 nan 8.310 nan 0.000 0.526 383 G N -0.064 108.741 108.800 0.008 0.000 3.284 383 G HA2 0.269 4.230 3.960 0.000 0.000 0.236 383 G HA3 0.269 4.230 3.960 0.000 0.000 0.236 383 G C 0.486 175.388 174.900 0.004 0.000 1.158 383 G CA -0.023 45.081 45.100 0.007 0.000 0.774 383 G HN 0.341 nan 8.290 nan 0.000 0.545 384 L N 0.034 121.258 121.223 0.002 0.000 3.229 384 L HA 0.322 4.662 4.340 0.000 0.000 0.286 384 L C 1.581 178.450 176.870 -0.001 0.000 1.239 384 L CA 0.703 55.543 54.840 -0.001 0.000 1.035 384 L CB -0.127 41.928 42.059 -0.006 0.000 1.408 384 L HN 0.352 nan 8.230 nan 0.000 0.593 385 G N 0.397 109.198 108.800 0.002 0.000 2.157 385 G HA2 -0.236 3.724 3.960 0.000 0.000 0.248 385 G HA3 -0.236 3.724 3.960 0.000 0.000 0.248 385 G C 0.416 175.319 174.900 0.005 0.000 0.979 385 G CA -0.162 44.940 45.100 0.003 0.000 0.650 385 G HN 0.165 nan 8.290 nan 0.000 0.529 386 I N 0.902 121.475 120.570 0.005 0.000 2.532 386 I HA 0.254 4.424 4.170 0.000 0.000 0.292 386 I C 0.513 176.640 176.117 0.016 0.000 1.014 386 I CA -1.045 60.260 61.300 0.010 0.000 1.340 386 I CB 1.363 39.364 38.000 0.002 0.000 1.422 386 I HN 0.131 nan 8.210 nan 0.000 0.528 387 N N 5.080 123.795 118.700 0.024 0.000 3.034 387 N HA 0.339 5.079 4.740 0.000 0.000 0.265 387 N C -0.698 174.831 175.510 0.032 0.000 1.166 387 N CA -0.194 52.871 53.050 0.025 0.000 1.081 387 N CB 0.131 38.633 38.487 0.025 0.000 1.378 387 N HN 0.629 nan 8.380 nan 0.000 0.520 388 A N 1.774 124.609 122.820 0.025 0.000 2.317 388 A HA 0.701 5.021 4.320 0.000 0.000 0.327 388 A C -0.690 176.908 177.584 0.023 0.000 1.178 388 A CA -0.563 51.490 52.037 0.027 0.000 0.817 388 A CB 1.059 20.070 19.000 0.019 0.000 1.189 388 A HN 0.269 nan 8.150 nan 0.000 0.489 389 V N 1.143 121.071 119.914 0.023 0.000 2.656 389 V HA 0.696 4.816 4.120 0.000 0.000 0.307 389 V C 0.308 176.409 176.094 0.012 0.000 1.051 389 V CA -0.504 61.805 62.300 0.015 0.000 0.893 389 V CB 1.647 33.478 31.823 0.014 0.000 0.999 389 V HN 1.210 nan 8.190 nan 0.000 0.426 390 A N 4.097 126.916 122.820 -0.002 0.000 2.260 390 A HA 0.746 5.066 4.320 0.000 0.000 0.314 390 A C -1.220 176.283 177.584 -0.136 0.000 1.257 390 A CA -0.333 51.702 52.037 -0.004 0.000 0.871 390 A CB 0.317 19.356 19.000 0.066 0.000 1.166 390 A HN 0.905 nan 8.150 nan 0.000 0.522 391 Y N 3.496 123.657 120.300 -0.232 0.000 2.429 391 Y HA 0.686 5.236 4.550 0.000 0.000 0.342 391 Y C -0.845 174.905 175.900 -0.250 0.000 1.004 391 Y CA -0.660 57.225 58.100 -0.359 0.000 1.075 391 Y CB 1.375 39.698 38.460 -0.229 0.000 1.214 391 Y HN 0.795 nan 8.280 nan 0.000 0.455 392 Y N 1.405 121.178 120.300 -0.879 0.000 2.788 392 Y HA 0.497 5.047 4.550 0.000 0.000 0.335 392 Y C -1.291 174.108 175.900 -0.835 0.000 1.287 392 Y CA -2.146 55.554 58.100 -0.666 0.000 1.068 392 Y CB 0.477 38.779 38.460 -0.264 0.000 1.340 392 Y HN 0.685 nan 8.280 nan 0.000 0.449 393 R N 0.787 121.189 120.500 -0.163 0.000 2.543 393 R HA 0.594 4.934 4.340 0.000 0.000 0.277 393 R C 0.665 176.957 176.300 -0.013 0.000 1.074 393 R CA 0.396 56.417 56.100 -0.132 0.000 1.076 393 R CB 0.636 30.913 30.300 -0.037 0.000 0.993 393 R HN 1.576 nan 8.270 nan 0.000 0.459 394 G N 2.116 110.889 108.800 -0.046 0.000 2.424 394 G HA2 -0.217 3.743 3.960 0.000 0.000 0.207 394 G HA3 -0.217 3.743 3.960 0.000 0.000 0.207 394 G C 0.012 174.885 174.900 -0.044 0.000 1.061 394 G CA -0.148 44.954 45.100 0.004 0.000 0.657 394 G HN 0.433 nan 8.290 nan 0.000 0.508 395 L N 1.577 122.697 121.223 -0.172 0.000 2.418 395 L HA 0.548 4.888 4.340 0.000 0.000 0.265 395 L C 0.497 177.336 176.870 -0.051 0.000 1.143 395 L CA -0.592 54.140 54.840 -0.180 0.000 0.809 395 L CB 0.761 42.588 42.059 -0.387 0.000 1.124 395 L HN 0.322 nan 8.230 nan 0.000 0.456 396 D N 0.023 120.438 120.400 0.026 0.000 2.329 396 D HA 0.118 4.758 4.640 0.000 0.000 0.246 396 D C 0.769 177.171 176.300 0.170 0.000 1.111 396 D CA -0.419 53.632 54.000 0.084 0.000 0.941 396 D CB 1.719 42.545 40.800 0.043 0.000 1.169 396 D HN 0.209 nan 8.370 nan 0.000 0.441 397 V N 1.831 121.821 119.914 0.127 0.000 2.913 397 V HA -0.123 3.997 4.120 0.000 0.000 0.260 397 V C 2.085 178.158 176.094 -0.034 0.000 1.098 397 V CA 1.372 63.681 62.300 0.014 0.000 1.121 397 V CB -0.509 31.296 31.823 -0.031 0.000 0.714 397 V HN 0.493 nan 8.190 nan 0.000 0.487 398 S N 0.855 116.558 115.700 0.005 0.000 2.428 398 S HA -0.135 4.335 4.470 0.000 0.000 0.230 398 S C 2.164 176.758 174.600 -0.010 0.000 1.014 398 S CA 1.367 59.562 58.200 -0.007 0.000 0.957 398 S CB -0.137 63.065 63.200 0.003 0.000 0.784 398 S HN 0.667 nan 8.310 nan 0.000 0.499 399 V N 0.567 120.485 119.914 0.007 0.000 2.546 399 V HA -0.019 4.101 4.120 0.000 0.000 0.254 399 V C 0.753 176.840 176.094 -0.011 0.000 1.076 399 V CA 1.136 63.439 62.300 0.005 0.000 1.087 399 V CB -1.004 30.833 31.823 0.023 0.000 0.674 399 V HN 0.418 nan 8.190 nan 0.000 0.470 400 I N 3.864 124.409 120.570 -0.042 0.000 2.322 400 I HA 0.306 4.476 4.170 0.000 0.000 0.292 400 I C -1.944 174.151 176.117 -0.036 0.000 1.060 400 I CA -1.845 59.425 61.300 -0.049 0.000 1.309 400 I CB 0.766 38.697 38.000 -0.114 0.000 1.415 400 I HN 0.184 nan 8.210 nan 0.000 0.492 401 P HA 0.010 nan 4.420 nan 0.000 0.267 401 P C 0.815 178.077 177.300 -0.064 0.000 1.205 401 P CA -0.069 63.010 63.100 -0.036 0.000 0.765 401 P CB 0.872 32.556 31.700 -0.026 0.000 0.828 402 T N 0.899 115.412 114.554 -0.069 0.000 3.014 402 T HA 0.060 4.410 4.350 0.000 0.000 0.263 402 T C 0.785 175.416 174.700 -0.115 0.000 1.078 402 T CA 0.430 62.470 62.100 -0.100 0.000 1.135 402 T CB -0.136 68.683 68.868 -0.081 0.000 0.895 402 T HN 0.284 nan 8.240 nan 0.000 0.480 403 I N 0.774 121.294 120.570 -0.085 0.000 2.646 403 I HA 0.663 4.833 4.170 0.000 0.000 0.299 403 I C 0.283 176.359 176.117 -0.067 0.000 1.036 403 I CA 0.333 61.585 61.300 -0.080 0.000 1.074 403 I CB 1.358 39.323 38.000 -0.058 0.000 1.258 403 I HN 0.679 nan 8.210 nan 0.000 0.430 404 G N 4.834 113.593 108.800 -0.069 0.000 2.733 404 G HA2 -0.149 3.811 3.960 0.000 0.000 0.686 404 G HA3 -0.149 3.811 3.960 0.000 0.000 0.686 404 G C -0.938 173.936 174.900 -0.043 0.000 1.373 404 G CA -0.573 44.497 45.100 -0.049 0.000 0.838 404 G HN 0.850 nan 8.290 nan 0.000 0.588 405 D N -0.974 119.411 120.400 -0.024 0.000 2.730 405 D HA 0.330 4.971 4.640 0.000 0.000 0.225 405 D C 0.647 176.960 176.300 0.022 0.000 1.107 405 D CA 1.506 55.506 54.000 0.000 0.000 0.837 405 D CB 1.265 42.078 40.800 0.023 0.000 1.171 405 D HN 1.292 nan 8.370 nan 0.000 0.498 406 V N 2.187 122.135 119.914 0.056 0.000 3.177 406 V HA 0.364 4.484 4.120 0.000 0.000 0.287 406 V C -1.609 174.584 176.094 0.165 0.000 1.465 406 V CA -0.704 61.648 62.300 0.087 0.000 1.020 406 V CB 2.433 34.294 31.823 0.064 0.000 1.152 406 V HN 0.214 nan 8.190 nan 0.000 0.448 407 V N 6.012 126.005 119.914 0.132 0.000 2.305 407 V HA 0.412 4.532 4.120 0.000 0.000 0.275 407 V C -0.164 175.968 176.094 0.063 0.000 1.020 407 V CA -0.542 61.830 62.300 0.121 0.000 0.811 407 V CB 1.512 33.371 31.823 0.060 0.000 1.031 407 V HN 0.657 nan 8.190 nan 0.000 0.439 408 V N 5.752 125.705 119.914 0.066 0.000 2.455 408 V HA 0.261 4.381 4.120 0.000 0.000 0.273 408 V C 0.200 176.221 176.094 -0.123 0.000 1.045 408 V CA -0.221 62.076 62.300 -0.006 0.000 0.976 408 V CB 1.630 33.490 31.823 0.061 0.000 0.993 408 V HN 0.564 nan 8.190 nan 0.000 0.475 409 V N 5.494 125.372 119.914 -0.060 0.000 2.311 409 V HA 0.761 4.881 4.120 0.000 0.000 0.275 409 V C 0.397 176.484 176.094 -0.012 0.000 1.022 409 V CA -0.202 62.069 62.300 -0.048 0.000 0.830 409 V CB 1.040 32.880 31.823 0.027 0.000 1.012 409 V HN 0.988 nan 8.190 nan 0.000 0.452 410 A N 3.814 126.580 122.820 -0.090 0.000 2.423 410 A HA 0.929 5.249 4.320 0.000 0.000 0.304 410 A C 0.278 177.947 177.584 0.142 0.000 1.104 410 A CA -0.265 51.772 52.037 0.001 0.000 0.757 410 A CB 1.777 20.686 19.000 -0.151 0.000 1.313 410 A HN 0.768 nan 8.150 nan 0.000 0.423 411 T N -1.625 113.072 114.554 0.238 0.000 2.833 411 T HA 0.297 4.647 4.350 0.000 0.000 0.292 411 T C 0.042 174.975 174.700 0.388 0.000 1.031 411 T CA 0.059 62.321 62.100 0.271 0.000 0.937 411 T CB 0.168 69.142 68.868 0.178 0.000 1.256 411 T HN 0.380 nan 8.240 nan 0.000 0.551 412 D N 0.163 120.739 120.400 0.293 0.000 2.358 412 D HA 0.198 4.838 4.640 0.000 0.000 0.241 412 D C 1.873 178.310 176.300 0.229 0.000 1.094 412 D CA 0.360 54.511 54.000 0.251 0.000 0.907 412 D CB -0.596 40.265 40.800 0.101 0.000 0.893 412 D HN 0.667 nan 8.370 nan 0.000 0.528 413 A N -0.116 122.850 122.820 0.244 0.000 2.125 413 A HA -0.105 4.216 4.320 0.000 0.000 0.219 413 A C 1.642 179.373 177.584 0.246 0.000 1.156 413 A CA 0.754 52.938 52.037 0.244 0.000 0.671 413 A CB 0.036 19.205 19.000 0.283 0.000 0.794 413 A HN 0.200 nan 8.150 nan 0.000 0.459 414 L N -1.655 119.734 121.223 0.276 0.000 3.069 414 L HA 0.358 4.698 4.340 0.000 0.000 0.271 414 L C 1.597 178.710 176.870 0.405 0.000 1.201 414 L CA 0.386 55.329 54.840 0.172 0.000 1.015 414 L CB -0.196 41.831 42.059 -0.053 0.000 1.371 414 L HN 0.497 nan 8.230 nan 0.000 0.574 415 M N -1.133 118.689 119.600 0.370 0.000 2.132 415 M HA -0.025 4.456 4.480 0.000 0.000 0.263 415 M C -0.013 176.391 176.300 0.174 0.000 1.065 415 M CA 1.269 56.672 55.300 0.172 0.000 1.122 415 M CB 0.258 32.852 32.600 -0.010 0.000 1.365 415 M HN 0.120 nan 8.290 nan 0.000 0.411 416 T N -0.215 114.460 114.554 0.202 0.000 2.797 416 T HA 0.525 4.875 4.350 0.000 0.000 0.279 416 T C 0.426 175.261 174.700 0.224 0.000 0.991 416 T CA 0.197 62.432 62.100 0.225 0.000 0.979 416 T CB 1.527 70.540 68.868 0.242 0.000 0.943 416 T HN 0.600 nan 8.240 nan 0.000 0.444 417 G N 2.846 111.779 108.800 0.223 0.000 2.458 417 G HA2 -0.293 3.668 3.960 0.000 0.000 0.237 417 G HA3 -0.293 3.668 3.960 0.000 0.000 0.237 417 G C 0.104 175.082 174.900 0.131 0.000 1.113 417 G CA 0.172 45.397 45.100 0.208 0.000 0.655 417 G HN 0.768 nan 8.290 nan 0.000 0.513 418 Y N 3.020 123.325 120.300 0.009 0.000 2.511 418 Y HA 0.493 5.043 4.550 0.000 0.000 0.332 418 Y C 0.261 176.139 175.900 -0.037 0.000 1.177 418 Y CA 1.071 59.133 58.100 -0.063 0.000 1.422 418 Y CB 0.955 39.407 38.460 -0.012 0.000 1.271 418 Y HN 0.106 nan 8.280 nan 0.000 0.550 419 T N 5.443 119.524 114.554 -0.789 0.000 2.809 419 T HA 0.398 4.748 4.350 0.000 0.000 0.296 419 T C 0.466 174.503 174.700 -1.105 0.000 1.015 419 T CA -0.140 61.558 62.100 -0.671 0.000 0.954 419 T CB 0.886 69.453 68.868 -0.502 0.000 0.950 419 T HN 0.878 nan 8.240 nan 0.000 0.450 420 G N 1.816 110.144 108.800 -0.788 0.000 3.993 420 G HA2 0.345 4.305 3.960 0.000 0.000 0.294 420 G HA3 0.345 4.305 3.960 0.000 0.000 0.294 420 G C 0.055 174.407 174.900 -0.913 0.000 1.043 420 G CA -0.601 44.036 45.100 -0.771 0.000 0.839 420 G HN 0.789 nan 8.290 nan 0.000 0.516 421 D N -0.378 119.694 120.400 -0.546 0.000 2.904 421 D HA -0.211 4.430 4.640 0.000 0.000 0.231 421 D C -0.659 175.373 176.300 -0.448 0.000 1.185 421 D CA 0.592 54.356 54.000 -0.394 0.000 0.783 421 D CB -1.677 38.922 40.800 -0.335 0.000 0.961 421 D HN 0.273 nan 8.370 nan 0.000 0.409 422 F N 0.820 120.725 119.950 -0.075 0.000 2.415 422 F HA 0.313 4.840 4.527 0.000 0.000 0.348 422 F C 1.686 177.439 175.800 -0.078 0.000 1.119 422 F CA -1.013 56.942 58.000 -0.075 0.000 1.069 422 F CB 1.349 40.339 39.000 -0.017 0.000 1.124 422 F HN -0.087 nan 8.300 nan 0.000 0.472 423 D N 0.692 121.115 120.400 0.039 0.000 2.117 423 D HA -0.085 4.555 4.640 0.000 0.000 0.198 423 D C 0.805 177.164 176.300 0.099 0.000 0.982 423 D CA 1.260 55.259 54.000 -0.002 0.000 0.828 423 D CB 0.134 40.853 40.800 -0.135 0.000 0.967 423 D HN 0.414 nan 8.370 nan 0.000 0.464 424 S N -0.739 115.058 115.700 0.162 0.000 2.569 424 S HA 0.576 5.046 4.470 0.000 0.000 0.280 424 S C -0.864 173.824 174.600 0.146 0.000 1.111 424 S CA -0.890 57.431 58.200 0.202 0.000 0.887 424 S CB 2.488 65.844 63.200 0.259 0.000 1.095 424 S HN -0.169 nan 8.310 nan 0.000 0.476 425 V N 2.775 122.774 119.914 0.143 0.000 2.459 425 V HA 0.552 4.672 4.120 0.000 0.000 0.295 425 V C -0.503 175.603 176.094 0.021 0.000 1.029 425 V CA -0.677 61.692 62.300 0.114 0.000 0.874 425 V CB 1.304 33.314 31.823 0.312 0.000 0.985 425 V HN 0.883 nan 8.190 nan 0.000 0.438 426 I N 3.663 124.201 120.570 -0.054 0.000 2.433 426 I HA 0.504 4.674 4.170 0.000 0.000 0.292 426 I C -1.063 175.061 176.117 0.012 0.000 1.001 426 I CA -0.346 60.858 61.300 -0.159 0.000 1.119 426 I CB 2.022 39.828 38.000 -0.325 0.000 1.289 426 I HN 0.540 nan 8.210 nan 0.000 0.438 427 D N 4.628 125.055 120.400 0.045 0.000 2.696 427 D HA 0.236 4.877 4.640 0.000 0.000 0.251 427 D C 0.656 177.123 176.300 0.277 0.000 1.188 427 D CA -0.680 53.454 54.000 0.223 0.000 0.876 427 D CB 1.732 42.642 40.800 0.184 0.000 1.334 427 D HN 0.685 nan 8.370 nan 0.000 0.540 428 C N 2.554 121.959 119.300 0.175 0.000 2.437 428 C HA 0.123 4.584 4.460 0.000 0.000 0.283 428 C C 1.127 175.981 174.990 -0.227 0.000 1.424 428 C CA 0.288 59.087 59.018 -0.366 0.000 1.782 428 C CB -1.718 25.219 27.740 -1.339 0.000 1.833 428 C HN 0.872 nan 8.230 nan 0.000 0.532 429 N N 0.588 119.255 118.700 -0.055 0.000 2.828 429 N HA -0.169 4.571 4.740 0.000 0.000 0.248 429 N C 0.010 175.482 175.510 -0.064 0.000 1.044 429 N CA 1.060 54.101 53.050 -0.014 0.000 0.851 429 N CB -1.720 36.795 38.487 0.047 0.000 1.136 429 N HN 0.917 nan 8.380 nan 0.000 0.572 430 T N -2.904 111.576 114.554 -0.123 0.000 2.901 430 T HA 0.849 5.199 4.350 0.000 0.000 0.293 430 T C 0.108 174.785 174.700 -0.039 0.000 1.084 430 T CA -0.256 61.788 62.100 -0.094 0.000 1.008 430 T CB 2.570 71.352 68.868 -0.143 0.000 1.170 430 T HN 0.447 nan 8.240 nan 0.000 0.509 431 C N -0.455 118.839 119.300 -0.009 0.000 3.316 431 C HA 0.893 5.353 4.460 0.000 0.000 0.360 431 C C -0.828 174.196 174.990 0.056 0.000 1.560 431 C CA -0.910 58.138 59.018 0.051 0.000 1.229 431 C CB 0.674 28.432 27.740 0.029 0.000 1.823 431 C HN 0.878 nan 8.230 nan 0.000 0.440 432 V N 1.218 121.184 119.914 0.087 0.000 2.398 432 V HA 0.728 4.848 4.120 0.000 0.000 0.286 432 V C 0.294 176.423 176.094 0.058 0.000 1.026 432 V CA 0.387 62.736 62.300 0.083 0.000 0.868 432 V CB 1.272 33.164 31.823 0.115 0.000 0.982 432 V HN 1.118 nan 8.190 nan 0.000 0.443 433 T N 4.053 118.639 114.554 0.055 0.000 2.901 433 T HA 0.550 4.900 4.350 0.000 0.000 0.293 433 T C -1.048 173.695 174.700 0.072 0.000 1.084 433 T CA -0.494 61.640 62.100 0.057 0.000 1.008 433 T CB 1.940 70.840 68.868 0.054 0.000 1.170 433 T HN 0.730 nan 8.240 nan 0.000 0.509 434 Q N 1.361 121.214 119.800 0.089 0.000 2.309 434 Q HA 0.633 4.973 4.340 0.000 0.000 0.264 434 Q C -0.718 175.348 176.000 0.110 0.000 1.008 434 Q CA -0.898 54.977 55.803 0.120 0.000 0.853 434 Q CB 2.065 30.917 28.738 0.190 0.000 1.314 434 Q HN 0.778 nan 8.270 nan 0.000 0.448 435 T N -2.101 112.509 114.554 0.093 0.000 2.900 435 T HA 0.574 4.925 4.350 0.000 0.000 0.295 435 T C -0.868 173.863 174.700 0.052 0.000 1.044 435 T CA -0.791 61.351 62.100 0.070 0.000 0.995 435 T CB 1.574 70.466 68.868 0.040 0.000 1.072 435 T HN 0.355 nan 8.240 nan 0.000 0.473 436 V N 1.721 121.644 119.914 0.016 0.000 2.481 436 V HA 0.587 4.707 4.120 0.000 0.000 0.286 436 V C -1.013 174.927 176.094 -0.256 0.000 1.042 436 V CA -0.384 61.877 62.300 -0.065 0.000 0.928 436 V CB 1.288 33.092 31.823 -0.032 0.000 0.986 436 V HN 1.088 nan 8.190 nan 0.000 0.462 437 D N 4.937 125.209 120.400 -0.213 0.000 2.391 437 D HA 0.339 4.979 4.640 0.000 0.000 0.245 437 D C -0.629 175.547 176.300 -0.206 0.000 1.069 437 D CA -0.356 53.517 54.000 -0.211 0.000 0.831 437 D CB 1.090 41.864 40.800 -0.043 0.000 1.204 437 D HN 0.412 nan 8.370 nan 0.000 0.503 438 F N 2.598 122.579 119.950 0.051 0.000 2.626 438 F HA 0.121 4.648 4.527 0.000 0.000 0.353 438 F C 1.813 177.627 175.800 0.025 0.000 1.230 438 F CA -0.403 57.605 58.000 0.015 0.000 1.298 438 F CB 0.096 39.010 39.000 -0.143 0.000 1.670 438 F HN 0.329 nan 8.300 nan 0.000 0.633 439 S N 0.220 116.023 115.700 0.172 0.000 2.562 439 S HA 0.018 4.488 4.470 0.000 0.000 0.221 439 S C 1.005 175.657 174.600 0.087 0.000 0.975 439 S CA -0.145 58.117 58.200 0.103 0.000 0.918 439 S CB -0.424 62.818 63.200 0.070 0.000 0.772 439 S HN 0.632 nan 8.310 nan 0.000 0.531 440 L N 1.582 122.871 121.223 0.109 0.000 3.839 440 L HA -0.184 4.156 4.340 0.000 0.000 0.416 440 L C -0.892 176.002 176.870 0.040 0.000 1.195 440 L CA 0.823 55.706 54.840 0.070 0.000 0.946 440 L CB -2.143 39.944 42.059 0.047 0.000 1.891 440 L HN 0.559 nan 8.230 nan 0.000 0.963 441 D N -1.615 118.804 120.400 0.032 0.000 2.886 441 D HA 0.292 4.932 4.640 0.000 0.000 0.355 441 D C -1.545 174.745 176.300 -0.017 0.000 1.274 441 D CA -1.370 52.634 54.000 0.007 0.000 0.836 441 D CB 0.523 41.328 40.800 0.009 0.000 1.109 441 D HN 0.155 nan 8.370 nan 0.000 0.488 442 P HA 0.054 nan 4.420 nan 0.000 0.259 442 P C 0.645 177.961 177.300 0.027 0.000 1.233 442 P CA 0.493 63.589 63.100 -0.005 0.000 0.827 442 P CB 1.093 32.780 31.700 -0.021 0.000 1.154 443 T N -2.296 112.277 114.554 0.031 0.000 3.349 443 T HA 0.377 4.727 4.350 0.000 0.000 0.169 443 T C 0.282 175.146 174.700 0.273 0.000 0.938 443 T CA -0.115 62.065 62.100 0.134 0.000 1.017 443 T CB -0.260 68.677 68.868 0.114 0.000 1.476 443 T HN 0.027 nan 8.240 nan 0.000 0.327 444 F N 0.743 120.819 119.950 0.210 0.000 2.640 444 F HA 0.893 5.420 4.527 0.000 0.000 0.324 444 F C -1.197 174.683 175.800 0.133 0.000 1.077 444 F CA -1.110 57.004 58.000 0.189 0.000 0.965 444 F CB 1.617 40.789 39.000 0.286 0.000 1.351 444 F HN 0.213 nan 8.300 nan 0.000 0.487 445 T N 3.126 117.838 114.554 0.265 0.000 2.881 445 T HA 0.561 4.911 4.350 0.000 0.000 0.290 445 T C -0.970 173.830 174.700 0.167 0.000 1.000 445 T CA -0.443 61.734 62.100 0.129 0.000 0.978 445 T CB 1.493 70.401 68.868 0.067 0.000 0.997 445 T HN 0.447 nan 8.240 nan 0.000 0.443 446 I N 3.418 124.052 120.570 0.106 0.000 2.339 446 I HA 0.396 4.566 4.170 0.000 0.000 0.290 446 I C 0.337 176.492 176.117 0.062 0.000 0.994 446 I CA -0.632 60.705 61.300 0.062 0.000 1.191 446 I CB 1.365 39.300 38.000 -0.109 0.000 1.343 446 I HN 0.672 nan 8.210 nan 0.000 0.458 447 E N 4.206 124.450 120.200 0.074 0.000 2.227 447 E HA 0.499 4.849 4.350 0.000 0.000 0.268 447 E C -0.772 175.877 176.600 0.082 0.000 0.907 447 E CA -0.742 55.700 56.400 0.069 0.000 0.786 447 E CB 2.433 32.164 29.700 0.051 0.000 1.191 447 E HN 0.365 nan 8.360 nan 0.000 0.411 448 T N 2.027 116.627 114.554 0.076 0.000 2.794 448 T HA 0.480 4.830 4.350 0.000 0.000 0.280 448 T C -0.320 174.414 174.700 0.058 0.000 0.987 448 T CA -0.502 61.643 62.100 0.076 0.000 0.993 448 T CB 1.094 70.008 68.868 0.078 0.000 0.939 448 T HN 0.610 nan 8.240 nan 0.000 0.449 449 T N -0.833 113.752 114.554 0.052 0.000 2.864 449 T HA 0.721 5.072 4.350 0.000 0.000 0.299 449 T C -0.323 174.393 174.700 0.026 0.000 1.166 449 T CA -1.023 61.098 62.100 0.035 0.000 1.007 449 T CB 1.729 70.614 68.868 0.027 0.000 1.219 449 T HN 0.529 nan 8.240 nan 0.000 0.506 450 T N -0.459 114.091 114.554 -0.005 0.000 2.794 450 T HA 0.718 5.068 4.350 0.000 0.000 0.280 450 T C 0.027 174.701 174.700 -0.045 0.000 0.987 450 T CA -0.503 61.571 62.100 -0.044 0.000 0.993 450 T CB 0.584 69.350 68.868 -0.171 0.000 0.939 450 T HN 1.384 nan 8.240 nan 0.000 0.449 451 V N 0.478 120.373 119.914 -0.031 0.000 3.141 451 V HA 0.851 4.972 4.120 0.000 0.000 0.312 451 V C -3.049 173.030 176.094 -0.025 0.000 1.157 451 V CA -3.262 59.027 62.300 -0.019 0.000 1.041 451 V CB 1.256 33.080 31.823 0.001 0.000 1.071 451 V HN 0.671 nan 8.190 nan 0.000 0.441 452 P HA 0.193 nan 4.420 nan 0.000 0.269 452 P C -0.640 176.651 177.300 -0.015 0.000 1.209 452 P CA -0.030 63.060 63.100 -0.016 0.000 0.776 452 P CB 0.219 31.916 31.700 -0.006 0.000 0.876 453 Q N 2.089 121.877 119.800 -0.020 0.000 2.421 453 Q HA 0.157 4.497 4.340 0.000 0.000 0.255 453 Q C -0.173 175.817 176.000 -0.018 0.000 1.013 453 Q CA -0.431 55.359 55.803 -0.022 0.000 0.895 453 Q CB 0.397 29.115 28.738 -0.033 0.000 1.271 453 Q HN 0.429 nan 8.270 nan 0.000 0.460 454 D N 1.167 121.559 120.400 -0.014 0.000 2.506 454 D HA 0.262 4.902 4.640 0.000 0.000 0.272 454 D C 0.475 176.758 176.300 -0.029 0.000 1.214 454 D CA -0.124 53.870 54.000 -0.010 0.000 1.067 454 D CB 0.563 41.371 40.800 0.014 0.000 1.117 454 D HN 0.602 nan 8.370 nan 0.000 0.578 455 A N -0.155 122.651 122.820 -0.023 0.000 1.969 455 A HA -0.037 4.284 4.320 0.000 0.000 0.218 455 A C 2.332 179.873 177.584 -0.073 0.000 1.169 455 A CA 1.433 53.443 52.037 -0.045 0.000 0.635 455 A CB -0.890 18.096 19.000 -0.024 0.000 0.810 455 A HN 0.367 nan 8.150 nan 0.000 0.445 456 V N -0.367 119.511 119.914 -0.059 0.000 2.255 456 V HA -0.248 3.873 4.120 0.000 0.000 0.247 456 V C 2.853 178.871 176.094 -0.127 0.000 1.051 456 V CA 2.418 64.654 62.300 -0.106 0.000 1.018 456 V CB -0.882 30.917 31.823 -0.040 0.000 0.641 456 V HN 0.689 nan 8.190 nan 0.000 0.445 457 S N -0.443 115.205 115.700 -0.086 0.000 2.353 457 S HA -0.300 4.170 4.470 0.000 0.000 0.222 457 S C 2.231 176.745 174.600 -0.144 0.000 1.035 457 S CA 2.236 60.369 58.200 -0.111 0.000 1.025 457 S CB -0.389 62.762 63.200 -0.082 0.000 0.902 457 S HN 0.520 nan 8.310 nan 0.000 0.440 458 R N 0.144 120.576 120.500 -0.114 0.000 2.094 458 R HA -0.073 4.267 4.340 0.000 0.000 0.239 458 R C 2.501 178.674 176.300 -0.213 0.000 1.137 458 R CA 2.048 58.072 56.100 -0.126 0.000 0.943 458 R CB -0.660 29.570 30.300 -0.116 0.000 0.850 458 R HN 0.437 nan 8.270 nan 0.000 0.433 459 S N 0.199 115.783 115.700 -0.193 0.000 2.383 459 S HA -0.084 4.386 4.470 0.000 0.000 0.227 459 S C 1.789 176.279 174.600 -0.185 0.000 1.026 459 S CA 0.815 58.896 58.200 -0.199 0.000 0.981 459 S CB -0.011 63.097 63.200 -0.152 0.000 0.818 459 S HN 0.361 nan 8.310 nan 0.000 0.472 460 Q N 1.043 120.734 119.800 -0.181 0.000 2.049 460 Q HA 0.078 4.418 4.340 0.000 0.000 0.198 460 Q C 2.339 178.272 176.000 -0.111 0.000 0.971 460 Q CA 0.959 56.676 55.803 -0.144 0.000 0.833 460 Q CB -0.301 28.348 28.738 -0.149 0.000 0.896 460 Q HN 0.495 nan 8.270 nan 0.000 0.434 461 R N 0.490 120.868 120.500 -0.204 0.000 2.080 461 R HA -0.102 4.239 4.340 0.000 0.000 0.236 461 R C 2.435 178.770 176.300 0.059 0.000 1.137 461 R CA 1.337 57.279 56.100 -0.264 0.000 0.943 461 R CB -0.368 29.613 30.300 -0.532 0.000 0.846 461 R HN 0.158 nan 8.270 nan 0.000 0.431 462 R N 0.527 120.997 120.500 -0.050 0.000 2.103 462 R HA -0.132 4.208 4.340 0.000 0.000 0.242 462 R C 1.995 178.255 176.300 -0.066 0.000 1.142 462 R CA 1.864 57.879 56.100 -0.143 0.000 0.960 462 R CB -0.539 29.316 30.300 -0.741 0.000 0.858 462 R HN 0.339 nan 8.270 nan 0.000 0.439 463 G N 0.040 108.777 108.800 -0.105 0.000 2.776 463 G HA2 -0.142 3.819 3.960 0.000 0.000 0.209 463 G HA3 -0.142 3.819 3.960 0.000 0.000 0.209 463 G C 1.073 175.977 174.900 0.005 0.000 1.145 463 G CA -0.210 44.822 45.100 -0.113 0.000 0.791 463 G HN 0.169 nan 8.290 nan 0.000 0.530 464 R N -0.177 120.394 120.500 0.117 0.000 2.236 464 R HA 0.086 4.427 4.340 0.000 0.000 0.208 464 R C 1.155 177.583 176.300 0.213 0.000 1.036 464 R CA 0.163 56.394 56.100 0.218 0.000 1.001 464 R CB -0.716 29.789 30.300 0.340 0.000 0.896 464 R HN 0.316 nan 8.270 nan 0.000 0.464 465 T N -2.067 112.572 114.554 0.141 0.000 2.949 465 T HA 0.472 4.822 4.350 0.000 0.000 0.287 465 T C 0.249 174.961 174.700 0.020 0.000 1.034 465 T CA 0.107 62.282 62.100 0.126 0.000 1.018 465 T CB 1.216 70.177 68.868 0.156 0.000 1.135 465 T HN 0.394 nan 8.240 nan 0.000 0.532 466 G N 2.573 111.392 108.800 0.032 0.000 2.323 466 G HA2 -0.229 3.731 3.960 0.000 0.000 0.292 466 G HA3 -0.229 3.731 3.960 0.000 0.000 0.292 466 G C 0.992 175.892 174.900 0.000 0.000 1.040 466 G CA 0.638 45.746 45.100 0.012 0.000 0.942 466 G HN 0.638 nan 8.290 nan 0.000 0.506 467 R N -0.123 120.380 120.500 0.004 0.000 2.055 467 R HA 0.020 4.360 4.340 0.000 0.000 0.228 467 R C 2.412 178.736 176.300 0.039 0.000 1.143 467 R CA 1.690 57.793 56.100 0.006 0.000 0.945 467 R CB -0.645 29.634 30.300 -0.034 0.000 0.841 467 R HN 0.715 nan 8.270 nan 0.000 0.429 468 G N 1.086 109.901 108.800 0.024 0.000 3.519 468 G HA2 0.165 4.125 3.960 0.000 0.000 0.269 468 G HA3 0.165 4.125 3.960 0.000 0.000 0.269 468 G C 0.213 175.136 174.900 0.039 0.000 1.028 468 G CA -0.368 44.755 45.100 0.039 0.000 0.809 468 G HN 0.237 nan 8.290 nan 0.000 0.521 469 R N -1.462 119.063 120.500 0.042 0.000 2.909 469 R HA 0.593 4.933 4.340 0.000 0.000 0.262 469 R C -0.729 175.605 176.300 0.057 0.000 1.095 469 R CA -1.094 55.031 56.100 0.041 0.000 0.965 469 R CB 0.696 31.008 30.300 0.021 0.000 1.300 469 R HN -0.052 nan 8.270 nan 0.000 0.442 470 R N 0.573 121.104 120.500 0.053 0.000 2.643 470 R HA 0.399 4.739 4.340 0.000 0.000 0.270 470 R C -0.757 175.581 176.300 0.064 0.000 1.061 470 R CA 0.698 56.837 56.100 0.064 0.000 1.107 470 R CB 0.929 31.262 30.300 0.055 0.000 0.999 470 R HN 0.794 nan 8.270 nan 0.000 0.460 471 G N 3.037 111.885 108.800 0.080 0.000 2.690 471 G HA2 0.492 4.452 3.960 0.000 0.000 0.291 471 G HA3 0.492 4.452 3.960 0.000 0.000 0.291 471 G C -1.255 173.714 174.900 0.115 0.000 1.403 471 G CA -0.641 44.513 45.100 0.090 0.000 0.864 471 G HN 0.429 nan 8.290 nan 0.000 0.480 472 I N 0.690 121.340 120.570 0.133 0.000 2.404 472 I HA 0.329 4.499 4.170 0.000 0.000 0.293 472 I C -1.194 175.049 176.117 0.211 0.000 0.992 472 I CA -1.221 60.170 61.300 0.151 0.000 1.149 472 I CB 1.395 39.464 38.000 0.114 0.000 1.315 472 I HN 0.529 nan 8.210 nan 0.000 0.446 473 Y N 6.633 126.995 120.300 0.103 0.000 2.334 473 Y HA 0.513 5.064 4.550 0.000 0.000 0.336 473 Y C -0.306 175.690 175.900 0.161 0.000 0.960 473 Y CA -0.664 57.519 58.100 0.137 0.000 1.164 473 Y CB 0.895 39.447 38.460 0.155 0.000 1.155 473 Y HN 0.504 nan 8.280 nan 0.000 0.478 474 R N 6.865 127.161 120.500 -0.340 0.000 2.393 474 R HA 0.532 4.872 4.340 0.000 0.000 0.310 474 R C -1.452 174.556 176.300 -0.486 0.000 0.968 474 R CA -0.695 55.179 56.100 -0.376 0.000 0.867 474 R CB 1.284 31.428 30.300 -0.261 0.000 1.124 474 R HN 0.651 nan 8.270 nan 0.000 0.450 475 F N -1.388 118.353 119.950 -0.348 0.000 2.620 475 F HA 0.517 5.045 4.527 0.000 0.000 0.320 475 F C 0.251 176.041 175.800 -0.017 0.000 1.069 475 F CA -1.229 56.642 58.000 -0.216 0.000 0.953 475 F CB 0.630 39.550 39.000 -0.133 0.000 1.322 475 F HN 0.081 nan 8.300 nan 0.000 0.479 476 V N -0.303 119.777 119.914 0.276 0.000 2.685 476 V HA 0.155 4.276 4.120 0.000 0.000 0.244 476 V C 0.250 176.513 176.094 0.281 0.000 1.054 476 V CA 1.301 63.725 62.300 0.207 0.000 1.076 476 V CB 0.120 32.040 31.823 0.162 0.000 0.725 476 V HN 0.926 nan 8.190 nan 0.000 0.467 477 T N 0.828 115.615 114.554 0.389 0.000 2.912 477 T HA 0.361 4.711 4.350 0.000 0.000 0.299 477 T C -2.187 172.634 174.700 0.201 0.000 1.052 477 T CA -0.838 61.428 62.100 0.276 0.000 0.996 477 T CB 2.583 71.527 68.868 0.126 0.000 1.070 477 T HN -0.018 nan 8.240 nan 0.000 0.465 478 P HA 0.135 nan 4.420 nan 0.000 0.230 478 P C 0.897 178.119 177.300 -0.130 0.000 1.168 478 P CA 0.275 63.300 63.100 -0.124 0.000 0.793 478 P CB 0.127 31.852 31.700 0.041 0.000 0.851 479 G N 0.742 109.514 108.800 -0.047 0.000 2.508 479 G HA2 0.445 4.405 3.960 0.000 0.000 0.278 479 G HA3 0.445 4.405 3.960 0.000 0.000 0.278 479 G C -0.612 174.258 174.900 -0.050 0.000 1.389 479 G CA -0.377 44.699 45.100 -0.041 0.000 1.050 479 G HN 0.282 nan 8.290 nan 0.000 0.522 480 E N -1.474 118.706 120.200 -0.033 0.000 2.401 480 E HA 0.278 4.628 4.350 0.000 0.000 0.283 480 E C -1.057 175.532 176.600 -0.019 0.000 1.053 480 E CA -0.991 55.390 56.400 -0.031 0.000 0.842 480 E CB 1.211 30.882 29.700 -0.047 0.000 1.222 480 E HN 0.400 nan 8.360 nan 0.000 0.429 481 R N 1.361 121.852 120.500 -0.015 0.000 2.637 481 R HA 0.390 4.730 4.340 0.000 0.000 0.269 481 R C -2.268 174.023 176.300 -0.015 0.000 1.089 481 R CA -1.752 54.339 56.100 -0.015 0.000 1.177 481 R CB -0.075 30.219 30.300 -0.009 0.000 1.091 481 R HN 0.375 nan 8.270 nan 0.000 0.540 482 P HA -0.031 nan 4.420 nan 0.000 0.269 482 P C -0.310 177.022 177.300 0.054 0.000 1.215 482 P CA 0.053 63.139 63.100 -0.022 0.000 0.780 482 P CB 0.603 32.180 31.700 -0.205 0.000 0.898 483 S N 0.118 115.894 115.700 0.126 0.000 2.730 483 S HA 0.611 5.082 4.470 0.000 0.000 0.284 483 S C 1.005 175.726 174.600 0.203 0.000 1.153 483 S CA 0.030 58.306 58.200 0.126 0.000 0.995 483 S CB 0.607 63.853 63.200 0.076 0.000 1.058 483 S HN 0.905 nan 8.310 nan 0.000 0.552 484 G N -0.177 108.723 108.800 0.166 0.000 2.143 484 G HA2 -0.211 3.749 3.960 0.000 0.000 0.249 484 G HA3 -0.211 3.749 3.960 0.000 0.000 0.249 484 G C -0.268 174.759 174.900 0.211 0.000 0.981 484 G CA 0.410 45.613 45.100 0.171 0.000 0.665 484 G HN 0.703 nan 8.290 nan 0.000 0.528 485 M N -0.254 119.477 119.600 0.218 0.000 2.465 485 M HA 0.740 5.220 4.480 0.000 0.000 0.316 485 M C -0.167 176.266 176.300 0.221 0.000 1.121 485 M CA -1.107 54.289 55.300 0.161 0.000 0.934 485 M CB 1.872 34.542 32.600 0.116 0.000 1.692 485 M HN 0.346 nan 8.290 nan 0.000 0.444 486 F N -1.095 118.885 119.950 0.050 0.000 2.620 486 F HA 0.774 5.301 4.527 0.000 0.000 0.320 486 F C -0.774 175.039 175.800 0.022 0.000 1.069 486 F CA -1.293 56.723 58.000 0.027 0.000 0.953 486 F CB 0.785 39.790 39.000 0.008 0.000 1.322 486 F HN 0.451 nan 8.300 nan 0.000 0.479 487 D N 0.312 120.832 120.400 0.200 0.000 2.329 487 D HA 0.200 4.840 4.640 0.000 0.000 0.246 487 D C 1.158 177.551 176.300 0.155 0.000 1.111 487 D CA 0.055 54.120 54.000 0.109 0.000 0.941 487 D CB 1.949 42.821 40.800 0.120 0.000 1.169 487 D HN 0.671 nan 8.370 nan 0.000 0.441 488 S N 0.662 116.457 115.700 0.159 0.000 2.419 488 S HA -0.184 4.286 4.470 0.000 0.000 0.233 488 S C 1.884 176.663 174.600 0.298 0.000 1.016 488 S CA 1.743 60.145 58.200 0.337 0.000 0.974 488 S CB -0.496 63.092 63.200 0.648 0.000 0.786 488 S HN 0.553 nan 8.310 nan 0.000 0.492 489 S N 0.667 116.492 115.700 0.208 0.000 2.419 489 S HA -0.075 4.395 4.470 0.000 0.000 0.235 489 S C 1.733 176.366 174.600 0.055 0.000 1.019 489 S CA 1.310 59.577 58.200 0.112 0.000 0.982 489 S CB -0.846 62.471 63.200 0.195 0.000 0.789 489 S HN 0.384 nan 8.310 nan 0.000 0.490 490 V N 2.072 122.047 119.914 0.102 0.000 2.427 490 V HA -0.079 4.041 4.120 0.000 0.000 0.248 490 V C 2.488 178.550 176.094 -0.053 0.000 1.051 490 V CA 1.561 63.877 62.300 0.026 0.000 1.048 490 V CB -0.863 31.008 31.823 0.080 0.000 0.666 490 V HN 0.479 nan 8.190 nan 0.000 0.456 491 L N -0.501 120.729 121.223 0.012 0.000 2.046 491 L HA -0.225 4.115 4.340 0.000 0.000 0.208 491 L C 2.718 179.442 176.870 -0.243 0.000 1.077 491 L CA 1.657 56.478 54.840 -0.031 0.000 0.747 491 L CB -0.884 41.296 42.059 0.202 0.000 0.896 491 L HN 0.496 nan 8.230 nan 0.000 0.432 492 C N 0.751 119.616 119.300 -0.726 0.000 2.413 492 C HA -0.179 4.282 4.460 0.000 0.000 0.276 492 C C 2.648 177.523 174.990 -0.192 0.000 1.248 492 C CA 1.286 59.798 59.018 -0.842 0.000 1.742 492 C CB -0.657 26.257 27.740 -1.377 0.000 2.017 492 C HN 0.522 nan 8.230 nan 0.000 0.481 493 E N -0.593 119.548 120.200 -0.100 0.000 2.110 493 E HA -0.196 4.154 4.350 0.000 0.000 0.193 493 E C 2.274 178.758 176.600 -0.195 0.000 0.988 493 E CA 1.663 57.966 56.400 -0.163 0.000 0.804 493 E CB -0.271 29.245 29.700 -0.308 0.000 0.745 493 E HN 0.765 nan 8.360 nan 0.000 0.458 494 C N 0.320 119.477 119.300 -0.238 0.000 2.432 494 C HA -0.147 4.314 4.460 0.000 0.000 0.277 494 C C 2.433 177.192 174.990 -0.385 0.000 1.249 494 C CA 0.544 59.385 59.018 -0.296 0.000 1.725 494 C CB -1.054 26.459 27.740 -0.379 0.000 2.028 494 C HN 0.449 nan 8.230 nan 0.000 0.477 495 Y N 0.764 120.779 120.300 -0.474 0.000 2.181 495 Y HA -0.181 4.369 4.550 0.000 0.000 0.288 495 Y C 2.463 177.842 175.900 -0.868 0.000 1.146 495 Y CA 1.963 59.608 58.100 -0.758 0.000 1.164 495 Y CB -0.605 37.131 38.460 -1.207 0.000 0.982 495 Y HN 0.408 nan 8.280 nan 0.000 0.515 496 D N -0.015 120.029 120.400 -0.593 0.000 2.097 496 D HA -0.203 4.438 4.640 0.000 0.000 0.195 496 D C 2.237 178.508 176.300 -0.048 0.000 0.989 496 D CA 1.404 55.324 54.000 -0.134 0.000 0.827 496 D CB 0.016 40.953 40.800 0.227 0.000 0.966 496 D HN 0.344 nan 8.370 nan 0.000 0.456 497 A N 0.734 123.536 122.820 -0.029 0.000 1.898 497 A HA -0.022 4.298 4.320 0.000 0.000 0.216 497 A C 2.424 180.062 177.584 0.091 0.000 1.181 497 A CA 2.126 54.231 52.037 0.113 0.000 0.620 497 A CB -1.208 17.890 19.000 0.162 0.000 0.819 497 A HN 0.376 nan 8.150 nan 0.000 0.442 498 G N -0.628 108.186 108.800 0.024 0.000 2.476 498 G HA2 -0.342 3.619 3.960 0.000 0.000 0.218 498 G HA3 -0.342 3.619 3.960 0.000 0.000 0.218 498 G C 1.602 176.489 174.900 -0.022 0.000 1.164 498 G CA 1.475 46.597 45.100 0.037 0.000 0.768 498 G HN 0.538 nan 8.290 nan 0.000 0.560 499 C N 0.616 119.821 119.300 -0.157 0.000 2.457 499 C HA 0.339 4.799 4.460 0.000 0.000 0.278 499 C C 3.513 178.477 174.990 -0.042 0.000 1.309 499 C CA 0.689 59.582 59.018 -0.210 0.000 1.735 499 C CB -0.870 26.427 27.740 -0.739 0.000 1.992 499 C HN 0.575 nan 8.230 nan 0.000 0.493 500 A N -0.987 121.816 122.820 -0.027 0.000 1.874 500 A HA -0.075 4.246 4.320 0.000 0.000 0.214 500 A C 1.786 179.122 177.584 -0.413 0.000 1.189 500 A CA 1.189 53.140 52.037 -0.144 0.000 0.615 500 A CB -0.559 18.302 19.000 -0.233 0.000 0.830 500 A HN 0.756 nan 8.150 nan 0.000 0.443 501 W N -3.268 117.857 121.300 -0.292 0.000 2.777 501 W HA 0.232 4.892 4.660 0.000 0.000 0.260 501 W C 0.984 177.198 176.519 -0.510 0.000 1.194 501 W CA 0.097 57.105 57.345 -0.561 0.000 1.447 501 W CB 0.289 29.076 29.460 -1.122 0.000 1.009 501 W HN 0.315 nan 8.180 nan 0.000 0.613 502 Y N 0.572 120.996 120.300 0.207 0.000 2.584 502 Y HA 0.229 4.779 4.550 0.000 0.000 0.254 502 Y C 0.301 176.230 175.900 0.047 0.000 1.177 502 Y CA -0.889 57.275 58.100 0.106 0.000 1.216 502 Y CB -0.772 37.723 38.460 0.057 0.000 1.172 502 Y HN -0.018 nan 8.280 nan 0.000 0.529 503 E N 0.346 120.624 120.200 0.130 0.000 2.539 503 E HA -0.228 4.123 4.350 0.000 0.000 0.253 503 E C -0.821 175.819 176.600 0.067 0.000 1.145 503 E CA 0.263 56.712 56.400 0.082 0.000 0.738 503 E CB -1.579 28.166 29.700 0.077 0.000 1.308 503 E HN 0.429 nan 8.360 nan 0.000 0.409 504 L N 1.165 122.428 121.223 0.066 0.000 2.292 504 L HA 0.278 4.618 4.340 0.000 0.000 0.284 504 L C 1.266 178.144 176.870 0.013 0.000 1.065 504 L CA -0.550 54.310 54.840 0.032 0.000 0.806 504 L CB 0.970 43.040 42.059 0.019 0.000 1.175 504 L HN 0.051 nan 8.230 nan 0.000 0.431 505 T N -0.289 114.278 114.554 0.021 0.000 2.900 505 T HA 0.126 4.476 4.350 0.000 0.000 0.307 505 T C -1.834 172.899 174.700 0.054 0.000 1.065 505 T CA -1.338 60.780 62.100 0.030 0.000 1.105 505 T CB 0.864 69.753 68.868 0.035 0.000 0.979 505 T HN 0.362 nan 8.240 nan 0.000 0.544 506 P HA -0.017 nan 4.420 nan 0.000 0.219 506 P C 1.486 178.923 177.300 0.229 0.000 1.146 506 P CA 1.241 64.475 63.100 0.225 0.000 0.808 506 P CB -0.244 31.562 31.700 0.177 0.000 0.779 507 A N -0.067 122.828 122.820 0.125 0.000 1.897 507 A HA -0.184 4.136 4.320 0.000 0.000 0.215 507 A C 2.135 179.764 177.584 0.075 0.000 1.181 507 A CA 1.332 53.431 52.037 0.104 0.000 0.620 507 A CB -0.975 18.065 19.000 0.067 0.000 0.821 507 A HN 0.154 nan 8.150 nan 0.000 0.443 508 E N -0.584 119.644 120.200 0.045 0.000 2.051 508 E HA -0.142 4.208 4.350 0.000 0.000 0.192 508 E C 2.053 178.644 176.600 -0.016 0.000 0.991 508 E CA 1.632 58.041 56.400 0.014 0.000 0.799 508 E CB -0.438 29.265 29.700 0.004 0.000 0.748 508 E HN 0.560 nan 8.360 nan 0.000 0.449 509 T N 0.908 115.436 114.554 -0.043 0.000 2.699 509 T HA -0.167 4.183 4.350 0.000 0.000 0.268 509 T C 2.151 176.743 174.700 -0.179 0.000 1.036 509 T CA 1.480 63.465 62.100 -0.193 0.000 1.147 509 T CB -0.236 68.394 68.868 -0.397 0.000 0.862 509 T HN 0.057 nan 8.240 nan 0.000 0.446 510 S N 0.721 116.431 115.700 0.016 0.000 2.359 510 S HA -0.106 4.364 4.470 0.000 0.000 0.224 510 S C 2.326 176.956 174.600 0.050 0.000 1.035 510 S CA 0.943 59.205 58.200 0.104 0.000 1.018 510 S CB -0.600 62.721 63.200 0.202 0.000 0.876 510 S HN 0.296 nan 8.310 nan 0.000 0.448 511 V N 2.165 122.099 119.914 0.034 0.000 2.252 511 V HA -0.283 3.837 4.120 0.000 0.000 0.249 511 V C 2.460 178.564 176.094 0.016 0.000 1.056 511 V CA 2.007 64.323 62.300 0.025 0.000 1.022 511 V CB -0.670 31.162 31.823 0.014 0.000 0.641 511 V HN 0.414 nan 8.190 nan 0.000 0.445 512 R N -0.429 120.064 120.500 -0.012 0.000 2.081 512 R HA -0.066 4.274 4.340 0.000 0.000 0.235 512 R C 2.272 178.576 176.300 0.008 0.000 1.131 512 R CA 1.336 57.430 56.100 -0.011 0.000 0.960 512 R CB -0.429 29.841 30.300 -0.050 0.000 0.856 512 R HN 0.421 nan 8.270 nan 0.000 0.436 513 L N 0.153 121.354 121.223 -0.036 0.000 2.141 513 L HA -0.105 4.235 4.340 0.000 0.000 0.209 513 L C 2.620 179.552 176.870 0.103 0.000 1.094 513 L CA 0.980 55.814 54.840 -0.010 0.000 0.763 513 L CB -0.283 41.731 42.059 -0.076 0.000 0.908 513 L HN 0.091 nan 8.230 nan 0.000 0.437 514 R N 0.911 121.463 120.500 0.087 0.000 2.092 514 R HA -0.088 4.253 4.340 0.000 0.000 0.231 514 R C 2.244 178.604 176.300 0.100 0.000 1.119 514 R CA 1.525 57.684 56.100 0.098 0.000 0.970 514 R CB -0.534 29.812 30.300 0.076 0.000 0.864 514 R HN 0.264 nan 8.270 nan 0.000 0.440 515 A N -0.466 122.407 122.820 0.089 0.000 1.940 515 A HA -0.212 4.108 4.320 0.000 0.000 0.219 515 A C 2.117 179.766 177.584 0.108 0.000 1.176 515 A CA 1.583 53.668 52.037 0.079 0.000 0.631 515 A CB -0.929 18.109 19.000 0.062 0.000 0.814 515 A HN 0.590 nan 8.150 nan 0.000 0.446 516 Y N -0.295 120.015 120.300 0.016 0.000 2.184 516 Y HA -0.083 4.467 4.550 0.000 0.000 0.290 516 Y C 1.901 177.830 175.900 0.048 0.000 1.129 516 Y CA 1.564 59.678 58.100 0.024 0.000 1.144 516 Y CB -0.294 38.173 38.460 0.011 0.000 0.995 516 Y HN 0.186 nan 8.280 nan 0.000 0.513 517 L N 0.859 122.290 121.223 0.347 0.000 2.201 517 L HA -0.184 4.156 4.340 0.000 0.000 0.212 517 L C 1.479 178.401 176.870 0.087 0.000 1.105 517 L CA 1.429 56.408 54.840 0.232 0.000 0.775 517 L CB -1.015 41.154 42.059 0.183 0.000 0.913 517 L HN 0.268 nan 8.230 nan 0.000 0.440 518 N N -1.272 117.466 118.700 0.063 0.000 2.449 518 N HA -0.001 4.739 4.740 0.000 0.000 0.191 518 N C -0.054 175.455 175.510 -0.000 0.000 1.161 518 N CA 0.259 53.324 53.050 0.025 0.000 0.863 518 N CB -0.017 38.487 38.487 0.029 0.000 0.980 518 N HN 0.217 nan 8.380 nan 0.000 0.458 519 T N 2.414 116.948 114.554 -0.033 0.000 2.758 519 T HA 0.366 4.716 4.350 0.000 0.000 0.285 519 T C -2.492 172.177 174.700 -0.051 0.000 0.981 519 T CA -1.370 60.698 62.100 -0.053 0.000 0.965 519 T CB 2.168 70.972 68.868 -0.107 0.000 0.927 519 T HN -0.074 nan 8.240 nan 0.000 0.448 520 P HA 0.351 nan 4.420 nan 0.000 0.271 520 P C 1.049 178.370 177.300 0.035 0.000 1.218 520 P CA 0.457 63.556 63.100 -0.003 0.000 0.780 520 P CB 0.473 32.176 31.700 0.006 0.000 0.901 521 G N 0.673 109.452 108.800 -0.036 0.000 2.176 521 G HA2 -0.211 3.749 3.960 0.000 0.000 0.253 521 G HA3 -0.211 3.749 3.960 0.000 0.000 0.253 521 G C -0.108 174.814 174.900 0.036 0.000 0.979 521 G CA -0.292 44.768 45.100 -0.065 0.000 0.641 521 G HN 0.440 nan 8.290 nan 0.000 0.530 522 L N 0.764 121.981 121.223 -0.010 0.000 2.358 522 L HA 0.534 4.874 4.340 0.000 0.000 0.268 522 L C -1.727 175.171 176.870 0.046 0.000 1.032 522 L CA -2.497 52.313 54.840 -0.049 0.000 0.805 522 L CB 1.196 43.041 42.059 -0.356 0.000 1.253 522 L HN -0.153 nan 8.230 nan 0.000 0.452 523 P HA 0.002 nan 4.420 nan 0.000 0.267 523 P C -1.078 176.457 177.300 0.391 0.000 1.201 523 P CA -0.054 63.233 63.100 0.313 0.000 0.775 523 P CB 0.477 32.446 31.700 0.448 0.000 0.854 524 V N 0.052 120.073 119.914 0.178 0.000 2.919 524 V HA 0.837 4.957 4.120 0.000 0.000 0.316 524 V C -0.548 175.269 176.094 -0.461 0.000 1.077 524 V CA -0.792 61.482 62.300 -0.043 0.000 0.977 524 V CB 1.820 33.616 31.823 -0.044 0.000 1.039 524 V HN 0.811 nan 8.190 nan 0.000 0.441 525 C N 2.036 121.010 119.300 -0.544 0.000 3.239 525 C HA 0.536 4.996 4.460 0.000 0.000 0.317 525 C C -0.671 174.085 174.990 -0.390 0.000 1.310 525 C CA -0.334 58.246 59.018 -0.729 0.000 1.371 525 C CB 1.972 28.926 27.740 -1.311 0.000 1.714 525 C HN 1.068 nan 8.230 nan 0.000 0.473 526 Q N 2.299 121.870 119.800 -0.383 0.000 2.361 526 Q HA 0.108 4.448 4.340 0.000 0.000 0.276 526 Q C -0.349 175.410 176.000 -0.401 0.000 1.022 526 Q CA 0.600 56.153 55.803 -0.417 0.000 0.898 526 Q CB 0.618 28.979 28.738 -0.628 0.000 1.246 526 Q HN 0.714 nan 8.270 nan 0.000 0.410 527 D N 1.937 122.205 120.400 -0.220 0.000 2.470 527 D HA 0.010 4.650 4.640 0.000 0.000 0.226 527 D C -0.272 176.094 176.300 0.110 0.000 1.196 527 D CA 0.082 54.059 54.000 -0.037 0.000 0.979 527 D CB -0.350 40.453 40.800 0.006 0.000 1.059 527 D HN 0.428 nan 8.370 nan 0.000 0.515 528 H N 2.826 122.001 119.070 0.176 0.000 2.503 528 H HA 0.100 4.656 4.556 0.000 0.000 0.296 528 H C 1.162 176.675 175.328 0.308 0.000 1.097 528 H CA -0.684 55.477 56.048 0.189 0.000 1.055 528 H CB 0.907 30.813 29.762 0.241 0.000 1.580 528 H HN 0.225 nan 8.280 nan 0.000 0.546 529 L N 0.804 122.247 121.223 0.368 0.000 2.005 529 L HA -0.154 4.186 4.340 0.000 0.000 0.207 529 L C 2.257 179.272 176.870 0.241 0.000 1.072 529 L CA 1.644 56.707 54.840 0.371 0.000 0.744 529 L CB -0.340 41.887 42.059 0.281 0.000 0.895 529 L HN 0.368 nan 8.230 nan 0.000 0.433 530 E N -1.048 119.245 120.200 0.155 0.000 2.058 530 E HA -0.281 4.069 4.350 0.000 0.000 0.194 530 E C 2.179 178.779 176.600 0.000 0.000 0.997 530 E CA 1.376 57.818 56.400 0.070 0.000 0.801 530 E CB -0.594 29.137 29.700 0.052 0.000 0.746 530 E HN 0.427 nan 8.360 nan 0.000 0.450 531 F N -0.044 119.815 119.950 -0.151 0.000 2.095 531 F HA -0.213 4.314 4.527 0.000 0.000 0.298 531 F C 2.102 177.702 175.800 -0.334 0.000 1.104 531 F CA 1.668 59.468 58.000 -0.334 0.000 1.232 531 F CB -0.634 38.013 39.000 -0.589 0.000 0.987 531 F HN 0.014 nan 8.300 nan 0.000 0.475 532 W N 0.868 121.987 121.300 -0.301 0.000 2.388 532 W HA -0.101 4.559 4.660 0.000 0.000 0.294 532 W C 2.651 178.766 176.519 -0.674 0.000 1.212 532 W CA 1.244 58.275 57.345 -0.523 0.000 1.271 532 W CB -0.548 28.733 29.460 -0.299 0.000 1.126 532 W HN 0.120 nan 8.180 nan 0.000 0.535 533 E N 0.686 120.590 120.200 -0.494 0.000 2.085 533 E HA -0.272 4.078 4.350 0.000 0.000 0.194 533 E C 2.319 178.835 176.600 -0.141 0.000 0.994 533 E CA 2.007 58.185 56.400 -0.369 0.000 0.801 533 E CB -0.272 29.372 29.700 -0.093 0.000 0.743 533 E HN 0.210 nan 8.360 nan 0.000 0.453 534 S N -0.098 115.496 115.700 -0.176 0.000 2.370 534 S HA -0.157 4.313 4.470 0.000 0.000 0.226 534 S C 2.117 176.689 174.600 -0.047 0.000 1.033 534 S CA 1.515 59.651 58.200 -0.108 0.000 1.011 534 S CB -0.720 62.368 63.200 -0.186 0.000 0.852 534 S HN 0.176 nan 8.310 nan 0.000 0.457 535 V N 1.002 120.762 119.914 -0.256 0.000 2.233 535 V HA -0.132 3.988 4.120 0.000 0.000 0.247 535 V C 2.347 178.407 176.094 -0.057 0.000 1.050 535 V CA 2.258 64.464 62.300 -0.158 0.000 1.010 535 V CB -1.099 30.510 31.823 -0.357 0.000 0.637 535 V HN 0.533 nan 8.190 nan 0.000 0.444 536 F N 0.333 120.232 119.950 -0.085 0.000 2.293 536 F HA -0.130 4.397 4.527 0.000 0.000 0.300 536 F C 2.556 178.307 175.800 -0.081 0.000 1.086 536 F CA 1.544 59.495 58.000 -0.081 0.000 1.375 536 F CB -0.928 38.003 39.000 -0.115 0.000 1.045 536 F HN 0.078 nan 8.300 nan 0.000 0.516 537 T N -0.845 113.766 114.554 0.096 0.000 2.849 537 T HA -0.141 4.209 4.350 0.000 0.000 0.270 537 T C 2.159 176.812 174.700 -0.079 0.000 1.066 537 T CA 1.356 63.476 62.100 0.034 0.000 1.130 537 T CB -0.651 68.251 68.868 0.056 0.000 0.864 537 T HN 0.460 nan 8.240 nan 0.000 0.481 538 G N 0.405 109.112 108.800 -0.156 0.000 2.939 538 G HA2 0.245 4.205 3.960 0.000 0.000 0.210 538 G HA3 0.245 4.205 3.960 0.000 0.000 0.210 538 G C 0.462 175.138 174.900 -0.374 0.000 1.160 538 G CA -0.288 44.464 45.100 -0.580 0.000 0.770 538 G HN 0.431 nan 8.290 nan 0.000 0.543 539 L N 3.344 124.399 121.223 -0.280 0.000 2.389 539 L HA 0.285 4.625 4.340 0.000 0.000 0.265 539 L C 0.198 176.990 176.870 -0.130 0.000 1.167 539 L CA -0.343 54.175 54.840 -0.536 0.000 1.045 539 L CB -0.218 41.431 42.059 -0.682 0.000 1.351 539 L HN 0.059 nan 8.230 nan 0.000 0.419 540 T N -3.018 111.572 114.554 0.060 0.000 2.918 540 T HA 0.389 4.740 4.350 0.000 0.000 0.286 540 T C 0.348 175.154 174.700 0.177 0.000 1.026 540 T CA -0.625 61.483 62.100 0.014 0.000 1.031 540 T CB 1.437 70.138 68.868 -0.278 0.000 1.046 540 T HN 0.541 nan 8.240 nan 0.000 0.479 541 H N -0.867 118.343 119.070 0.232 0.000 2.826 541 H HA -0.128 4.428 4.556 0.000 0.000 0.306 541 H C 0.191 175.589 175.328 0.117 0.000 1.235 541 H CA 0.242 56.378 56.048 0.146 0.000 1.150 541 H CB -1.697 28.123 29.762 0.096 0.000 1.409 541 H HN 0.798 nan 8.280 nan 0.000 0.420 542 I N 0.987 121.701 120.570 0.241 0.000 2.993 542 I HA -0.066 4.104 4.170 0.000 0.000 0.286 542 I C 1.113 177.238 176.117 0.013 0.000 1.215 542 I CA 0.373 61.716 61.300 0.071 0.000 1.393 542 I CB 0.467 38.494 38.000 0.045 0.000 1.371 542 I HN 0.183 nan 8.210 nan 0.000 0.602 543 D N 5.658 126.032 120.400 -0.043 0.000 2.338 543 D HA 0.124 4.764 4.640 0.000 0.000 0.255 543 D C 0.619 176.876 176.300 -0.071 0.000 1.237 543 D CA 0.154 54.104 54.000 -0.083 0.000 0.883 543 D CB 1.621 42.314 40.800 -0.178 0.000 1.087 543 D HN 0.667 nan 8.370 nan 0.000 0.485 544 A N 4.281 127.072 122.820 -0.048 0.000 2.067 544 A HA -0.223 4.097 4.320 0.000 0.000 0.219 544 A C 1.835 179.422 177.584 0.005 0.000 1.158 544 A CA 1.254 53.283 52.037 -0.014 0.000 0.661 544 A CB -0.458 18.541 19.000 -0.001 0.000 0.801 544 A HN 0.772 nan 8.150 nan 0.000 0.452 545 H N -0.913 118.045 119.070 -0.186 0.000 2.333 545 H HA -0.041 4.515 4.556 0.000 0.000 0.302 545 H C 1.493 176.775 175.328 -0.076 0.000 1.075 545 H CA 1.586 57.522 56.048 -0.186 0.000 1.348 545 H CB -0.424 29.151 29.762 -0.312 0.000 1.393 545 H HN 0.393 nan 8.280 nan 0.000 0.509 546 F N 0.028 119.902 119.950 -0.128 0.000 2.134 546 F HA -0.089 4.439 4.527 0.000 0.000 0.299 546 F C 2.491 178.202 175.800 -0.147 0.000 1.097 546 F CA 0.860 58.745 58.000 -0.191 0.000 1.264 546 F CB -1.186 37.744 39.000 -0.116 0.000 1.001 546 F HN 0.235 nan 8.300 nan 0.000 0.479 547 L N -0.577 120.675 121.223 0.049 0.000 2.083 547 L HA -0.150 4.190 4.340 0.000 0.000 0.209 547 L C 2.498 179.317 176.870 -0.084 0.000 1.083 547 L CA 1.828 56.642 54.840 -0.043 0.000 0.752 547 L CB -1.109 40.904 42.059 -0.076 0.000 0.899 547 L HN 0.129 nan 8.230 nan 0.000 0.433 548 S N -1.344 114.326 115.700 -0.051 0.000 2.383 548 S HA -0.192 4.278 4.470 0.000 0.000 0.227 548 S C 1.901 176.482 174.600 -0.032 0.000 1.026 548 S CA 1.368 59.539 58.200 -0.048 0.000 0.981 548 S CB -0.148 63.075 63.200 0.038 0.000 0.818 548 S HN 0.702 nan 8.310 nan 0.000 0.472 549 Q N 0.073 119.853 119.800 -0.034 0.000 2.096 549 Q HA -0.056 4.284 4.340 0.000 0.000 0.197 549 Q C 2.488 178.483 176.000 -0.008 0.000 0.964 549 Q CA 1.761 57.551 55.803 -0.021 0.000 0.838 549 Q CB -0.456 28.249 28.738 -0.056 0.000 0.906 549 Q HN 0.834 nan 8.270 nan 0.000 0.444 550 T N -0.751 113.792 114.554 -0.018 0.000 2.867 550 T HA -0.081 4.269 4.350 0.000 0.000 0.268 550 T C 1.660 176.360 174.700 -0.001 0.000 1.057 550 T CA 0.909 63.000 62.100 -0.014 0.000 1.136 550 T CB -0.050 68.808 68.868 -0.016 0.000 0.874 550 T HN 0.104 nan 8.240 nan 0.000 0.466 551 K N 0.991 121.346 120.400 -0.074 0.000 2.026 551 K HA -0.159 4.161 4.320 0.000 0.000 0.208 551 K C 2.630 179.329 176.600 0.165 0.000 1.048 551 K CA 1.792 58.017 56.287 -0.103 0.000 0.929 551 K CB -0.255 31.863 32.500 -0.637 0.000 0.713 551 K HN 0.441 nan 8.250 nan 0.000 0.439 552 Q N 1.132 120.989 119.800 0.094 0.000 2.119 552 Q HA -0.083 4.257 4.340 0.000 0.000 0.201 552 Q C 1.733 177.805 176.000 0.120 0.000 0.972 552 Q CA 1.885 57.773 55.803 0.143 0.000 0.847 552 Q CB -0.263 28.532 28.738 0.094 0.000 0.903 552 Q HN 0.256 nan 8.270 nan 0.000 0.433 553 A N -0.354 122.515 122.820 0.081 0.000 2.067 553 A HA 0.265 4.586 4.320 0.000 0.000 0.219 553 A C 1.883 179.506 177.584 0.064 0.000 1.158 553 A CA 1.176 53.248 52.037 0.057 0.000 0.661 553 A CB -0.929 18.086 19.000 0.026 0.000 0.801 553 A HN 0.984 nan 8.150 nan 0.000 0.452 554 G N -0.905 107.958 108.800 0.105 0.000 2.179 554 G HA2 -0.233 3.728 3.960 0.000 0.000 0.260 554 G HA3 -0.233 3.728 3.960 0.000 0.000 0.260 554 G C -0.118 174.815 174.900 0.055 0.000 0.977 554 G CA 0.360 45.522 45.100 0.103 0.000 0.641 554 G HN 0.522 nan 8.290 nan 0.000 0.533 555 D N 0.661 121.081 120.400 0.032 0.000 2.377 555 D HA 0.280 4.920 4.640 0.000 0.000 0.245 555 D C 0.884 177.186 176.300 0.004 0.000 1.196 555 D CA -0.442 53.558 54.000 -0.001 0.000 0.962 555 D CB 0.274 41.056 40.800 -0.030 0.000 1.127 555 D HN 0.147 nan 8.370 nan 0.000 0.471 556 N N -0.081 118.605 118.700 -0.023 0.000 2.381 556 N HA -0.002 4.738 4.740 0.000 0.000 0.241 556 N C 0.119 175.647 175.510 0.030 0.000 1.279 556 N CA 0.031 53.022 53.050 -0.099 0.000 0.896 556 N CB -0.038 38.363 38.487 -0.142 0.000 1.118 556 N HN 0.332 nan 8.380 nan 0.000 0.438 557 F N -1.713 118.271 119.950 0.057 0.000 3.004 557 F HA -0.175 4.352 4.527 0.000 0.000 0.264 557 F C -1.076 174.781 175.800 0.096 0.000 0.979 557 F CA -0.209 57.845 58.000 0.091 0.000 0.896 557 F CB -1.572 37.469 39.000 0.069 0.000 0.813 557 F HN 0.523 nan 8.300 nan 0.000 0.804 558 P HA -0.272 nan 4.420 nan 0.000 0.216 558 P C 1.642 179.043 177.300 0.169 0.000 1.150 558 P CA 1.837 65.011 63.100 0.123 0.000 0.843 558 P CB -0.015 31.723 31.700 0.063 0.000 0.787 559 Y N 0.659 121.055 120.300 0.161 0.000 2.163 559 Y HA -0.124 4.426 4.550 0.000 0.000 0.288 559 Y C 2.575 178.661 175.900 0.310 0.000 1.136 559 Y CA 1.446 59.681 58.100 0.226 0.000 1.147 559 Y CB -0.957 37.670 38.460 0.279 0.000 0.987 559 Y HN -0.263 nan 8.280 nan 0.000 0.509 560 L N -1.326 120.195 121.223 0.497 0.000 2.083 560 L HA -0.232 4.108 4.340 0.000 0.000 0.209 560 L C 2.253 179.357 176.870 0.390 0.000 1.083 560 L CA 1.082 56.139 54.840 0.361 0.000 0.752 560 L CB -0.731 41.367 42.059 0.065 0.000 0.899 560 L HN 0.138 nan 8.230 nan 0.000 0.433 561 V N 0.077 120.146 119.914 0.257 0.000 2.270 561 V HA -0.268 3.853 4.120 0.000 0.000 0.245 561 V C 2.735 178.959 176.094 0.216 0.000 1.043 561 V CA 1.859 64.249 62.300 0.151 0.000 1.014 561 V CB -0.881 30.867 31.823 -0.125 0.000 0.645 561 V HN 0.475 nan 8.190 nan 0.000 0.447 562 A N -1.461 121.424 122.820 0.108 0.000 2.019 562 A HA -0.266 4.054 4.320 0.000 0.000 0.219 562 A C 2.132 179.746 177.584 0.051 0.000 1.164 562 A CA 1.945 54.019 52.037 0.062 0.000 0.644 562 A CB -0.754 18.254 19.000 0.014 0.000 0.805 562 A HN 0.650 nan 8.150 nan 0.000 0.449 563 Y N -0.096 120.199 120.300 -0.008 0.000 2.263 563 Y HA -0.173 4.377 4.550 0.000 0.000 0.292 563 Y C 2.587 178.511 175.900 0.039 0.000 1.130 563 Y CA 2.117 60.215 58.100 -0.004 0.000 1.179 563 Y CB -0.106 38.371 38.460 0.027 0.000 0.998 563 Y HN 0.451 nan 8.280 nan 0.000 0.532 564 Q N 0.252 120.179 119.800 0.212 0.000 2.123 564 Q HA -0.064 4.277 4.340 0.000 0.000 0.199 564 Q C 2.162 178.072 176.000 -0.151 0.000 0.966 564 Q CA 1.624 57.432 55.803 0.008 0.000 0.845 564 Q CB -0.464 28.355 28.738 0.135 0.000 0.907 564 Q HN 0.433 nan 8.270 nan 0.000 0.439 565 A N -0.555 122.236 122.820 -0.049 0.000 1.930 565 A HA -0.146 4.174 4.320 0.000 0.000 0.217 565 A C 2.259 179.701 177.584 -0.236 0.000 1.175 565 A CA 1.834 53.718 52.037 -0.254 0.000 0.627 565 A CB -0.982 17.792 19.000 -0.377 0.000 0.815 565 A HN 0.481 nan 8.150 nan 0.000 0.443 566 T N -0.320 114.174 114.554 -0.101 0.000 2.674 566 T HA -0.125 4.226 4.350 0.000 0.000 0.265 566 T C 1.889 176.499 174.700 -0.149 0.000 1.039 566 T CA 1.658 63.740 62.100 -0.029 0.000 1.150 566 T CB -0.477 68.233 68.868 -0.264 0.000 0.864 566 T HN 0.138 nan 8.240 nan 0.000 0.427 567 V N 0.993 120.721 119.914 -0.309 0.000 2.392 567 V HA -0.226 3.894 4.120 0.000 0.000 0.249 567 V C 2.801 178.770 176.094 -0.209 0.000 1.059 567 V CA 1.441 63.564 62.300 -0.296 0.000 1.051 567 V CB -0.778 30.764 31.823 -0.468 0.000 0.658 567 V HN 0.638 nan 8.190 nan 0.000 0.455 568 C N -0.106 119.054 119.300 -0.233 0.000 2.453 568 C HA -0.032 4.428 4.460 0.000 0.000 0.277 568 C C 3.092 178.014 174.990 -0.112 0.000 1.262 568 C CA 0.648 59.537 59.018 -0.215 0.000 1.718 568 C CB -1.319 26.222 27.740 -0.331 0.000 2.031 568 C HN 0.630 nan 8.230 nan 0.000 0.480 569 A N 0.717 123.503 122.820 -0.057 0.000 1.908 569 A HA -0.220 4.101 4.320 0.000 0.000 0.218 569 A C 2.174 179.787 177.584 0.049 0.000 1.181 569 A CA 1.562 53.634 52.037 0.058 0.000 0.627 569 A CB -0.557 18.613 19.000 0.282 0.000 0.818 569 A HN 0.688 nan 8.150 nan 0.000 0.445 570 R N -0.861 119.658 120.500 0.032 0.000 2.235 570 R HA 0.089 4.429 4.340 0.000 0.000 0.213 570 R C 1.658 177.977 176.300 0.030 0.000 1.059 570 R CA 0.763 56.882 56.100 0.031 0.000 0.997 570 R CB -0.195 30.123 30.300 0.029 0.000 0.884 570 R HN 0.484 nan 8.270 nan 0.000 0.462 571 A N 0.328 123.158 122.820 0.018 0.000 2.348 571 A HA 0.053 4.373 4.320 0.000 0.000 0.224 571 A C 0.270 177.861 177.584 0.011 0.000 1.227 571 A CA -0.296 51.754 52.037 0.022 0.000 0.885 571 A CB 0.360 19.375 19.000 0.026 0.000 0.933 571 A HN 0.201 nan 8.150 nan 0.000 0.506 572 Q N -1.225 118.581 119.800 0.010 0.000 2.411 572 Q HA -0.222 4.118 4.340 0.000 0.000 0.305 572 Q C 0.216 176.207 176.000 -0.015 0.000 1.273 572 Q CA 0.816 56.625 55.803 0.010 0.000 0.895 572 Q CB -2.098 26.665 28.738 0.042 0.000 1.198 572 Q HN 0.902 nan 8.270 nan 0.000 0.470 573 A N -0.398 122.389 122.820 -0.054 0.000 2.320 573 A HA 0.817 5.137 4.320 0.000 0.000 0.334 573 A C -2.455 175.033 177.584 -0.161 0.000 1.147 573 A CA -1.735 50.247 52.037 -0.090 0.000 0.820 573 A CB 1.090 20.027 19.000 -0.104 0.000 1.218 573 A HN 0.005 nan 8.150 nan 0.000 0.482 574 P HA 0.325 nan 4.420 nan 0.000 0.274 574 P C -2.564 174.389 177.300 -0.578 0.000 1.246 574 P CA -1.252 61.662 63.100 -0.311 0.000 0.795 574 P CB 0.039 31.619 31.700 -0.202 0.000 1.006 575 P HA 0.148 nan 4.420 nan 0.000 0.274 575 P C -2.022 174.625 177.300 -1.089 0.000 1.256 575 P CA -1.567 60.823 63.100 -1.183 0.000 0.795 575 P CB -0.594 30.244 31.700 -1.435 0.000 1.038 576 P HA -0.155 nan 4.420 nan 0.000 0.217 576 P C 0.683 177.688 177.300 -0.492 0.000 1.148 576 P CA 1.928 64.634 63.100 -0.656 0.000 0.834 576 P CB 0.001 31.394 31.700 -0.513 0.000 0.783 577 S N -4.015 111.323 115.700 -0.603 0.000 2.752 577 S HA 0.351 4.821 4.470 0.000 0.000 0.284 577 S C -1.195 173.139 174.600 -0.444 0.000 1.189 577 S CA -0.865 57.135 58.200 -0.333 0.000 0.835 577 S CB -0.006 63.194 63.200 -0.001 0.000 1.192 577 S HN 0.007 nan 8.310 nan 0.000 0.506 578 W N 1.078 122.425 121.300 0.078 0.000 3.067 578 W HA 0.382 5.042 4.660 0.000 0.000 0.417 578 W C 0.281 176.883 176.519 0.138 0.000 1.029 578 W CA -0.422 56.985 57.345 0.102 0.000 1.992 578 W CB 0.104 29.586 29.460 0.037 0.000 1.122 578 W HN 0.764 nan 8.180 nan 0.000 0.681 579 D N 0.115 120.714 120.400 0.331 0.000 2.364 579 D HA -0.109 4.531 4.640 0.000 0.000 0.236 579 D C 1.774 178.180 176.300 0.177 0.000 1.221 579 D CA 0.745 54.875 54.000 0.217 0.000 0.891 579 D CB 1.160 42.055 40.800 0.159 0.000 1.190 579 D HN -0.123 nan 8.370 nan 0.000 0.449 580 Q N 1.324 121.172 119.800 0.081 0.000 2.297 580 Q HA -0.182 4.158 4.340 0.000 0.000 0.208 580 Q C 1.847 177.807 176.000 -0.066 0.000 0.981 580 Q CA 0.843 56.667 55.803 0.034 0.000 0.876 580 Q CB -0.409 28.335 28.738 0.011 0.000 0.921 580 Q HN 0.692 nan 8.270 nan 0.000 0.446 581 M N -1.322 118.157 119.600 -0.201 0.000 2.144 581 M HA -0.204 4.276 4.480 0.000 0.000 0.260 581 M C 0.386 176.296 176.300 -0.651 0.000 1.067 581 M CA 1.697 56.686 55.300 -0.519 0.000 1.095 581 M CB -0.069 32.033 32.600 -0.829 0.000 1.365 581 M HN 0.207 nan 8.290 nan 0.000 0.406 582 W N 0.807 122.092 121.300 -0.026 0.000 3.194 582 W HA 0.199 4.859 4.660 0.000 0.000 0.408 582 W C 1.644 178.162 176.519 -0.002 0.000 1.072 582 W CA -0.548 56.748 57.345 -0.083 0.000 1.953 582 W CB -0.046 29.289 29.460 -0.208 0.000 1.091 582 W HN 0.243 nan 8.180 nan 0.000 0.699 583 K N 0.061 120.544 120.400 0.139 0.000 2.211 583 K HA -0.187 4.133 4.320 0.000 0.000 0.203 583 K C 1.844 178.512 176.600 0.113 0.000 1.050 583 K CA 1.607 57.984 56.287 0.149 0.000 0.945 583 K CB -1.080 31.470 32.500 0.083 0.000 0.732 583 K HN 0.355 nan 8.250 nan 0.000 0.451 584 C N 0.131 119.458 119.300 0.046 0.000 2.400 584 C HA 0.039 4.499 4.460 0.000 0.000 0.291 584 C C 1.853 176.833 174.990 -0.018 0.000 1.372 584 C CA -0.099 58.918 59.018 -0.002 0.000 1.800 584 C CB -0.978 26.717 27.740 -0.076 0.000 1.869 584 C HN 0.403 nan 8.230 nan 0.000 0.533 585 L N 0.295 121.542 121.223 0.041 0.000 2.640 585 L HA 0.390 4.730 4.340 0.000 0.000 0.230 585 L C 2.193 179.250 176.870 0.311 0.000 1.123 585 L CA 0.289 55.184 54.840 0.092 0.000 0.900 585 L CB -0.785 41.280 42.059 0.010 0.000 1.146 585 L HN 0.355 nan 8.230 nan 0.000 0.484 586 I N 0.374 121.110 120.570 0.276 0.000 2.208 586 I HA -0.333 3.838 4.170 0.000 0.000 0.245 586 I C 2.476 178.592 176.117 -0.001 0.000 1.097 586 I CA 1.217 62.592 61.300 0.124 0.000 1.363 586 I CB -0.189 37.854 38.000 0.071 0.000 1.051 586 I HN 0.384 nan 8.210 nan 0.000 0.413 587 R N 1.409 121.943 120.500 0.057 0.000 2.241 587 R HA -0.109 4.231 4.340 0.000 0.000 0.224 587 R C 1.686 178.009 176.300 0.039 0.000 1.101 587 R CA 1.176 57.299 56.100 0.039 0.000 0.995 587 R CB -0.472 29.872 30.300 0.075 0.000 0.870 587 R HN 0.385 nan 8.270 nan 0.000 0.463 588 L N 0.556 121.825 121.223 0.077 0.000 2.585 588 L HA 0.157 4.497 4.340 0.000 0.000 0.226 588 L C 2.329 179.221 176.870 0.037 0.000 1.113 588 L CA 0.089 54.977 54.840 0.080 0.000 0.876 588 L CB -0.127 42.011 42.059 0.132 0.000 1.072 588 L HN 0.153 nan 8.230 nan 0.000 0.468 589 K N 1.501 121.883 120.400 -0.031 0.000 2.077 589 K HA -0.198 4.122 4.320 0.000 0.000 0.213 589 K C -0.577 175.942 176.600 -0.136 0.000 1.051 589 K CA 1.924 58.115 56.287 -0.160 0.000 0.929 589 K CB -0.652 31.497 32.500 -0.584 0.000 0.715 589 K HN 0.199 nan 8.250 nan 0.000 0.451 590 P HA -0.102 nan 4.420 nan 0.000 0.223 590 P C 0.672 177.943 177.300 -0.050 0.000 1.151 590 P CA 1.462 64.529 63.100 -0.053 0.000 0.787 590 P CB -0.057 31.632 31.700 -0.017 0.000 0.788 591 T N -3.913 110.586 114.554 -0.092 0.000 3.105 591 T HA 0.287 4.637 4.350 0.000 0.000 0.253 591 T C 0.442 174.959 174.700 -0.305 0.000 1.047 591 T CA -0.256 61.804 62.100 -0.066 0.000 0.944 591 T CB -0.573 68.313 68.868 0.029 0.000 1.016 591 T HN -0.067 nan 8.240 nan 0.000 0.544 592 L N 1.963 122.877 121.223 -0.515 0.000 2.296 592 L HA 0.670 5.010 4.340 0.000 0.000 0.286 592 L C -0.658 175.848 176.870 -0.607 0.000 1.023 592 L CA -1.034 53.583 54.840 -0.372 0.000 0.812 592 L CB 1.169 43.184 42.059 -0.073 0.000 1.223 592 L HN 0.316 nan 8.230 nan 0.000 0.421 593 H N 0.963 120.057 119.070 0.039 0.000 3.016 593 H HA 0.747 5.304 4.556 0.000 0.000 0.362 593 H C 0.158 175.487 175.328 0.002 0.000 1.233 593 H CA -0.088 55.977 56.048 0.028 0.000 1.124 593 H CB 2.078 31.853 29.762 0.022 0.000 1.850 593 H HN 0.811 nan 8.280 nan 0.000 0.549 594 G N 0.706 109.579 108.800 0.122 0.000 2.660 594 G HA2 -0.140 3.820 3.960 0.000 0.000 0.247 594 G HA3 -0.140 3.820 3.960 0.000 0.000 0.247 594 G C -2.861 172.034 174.900 -0.008 0.000 1.328 594 G CA -0.841 44.287 45.100 0.046 0.000 0.884 594 G HN 0.620 nan 8.290 nan 0.000 0.531 595 P HA 0.402 nan 4.420 nan 0.000 0.277 595 P C -0.035 177.202 177.300 -0.105 0.000 1.240 595 P CA 0.014 63.075 63.100 -0.064 0.000 0.798 595 P CB 0.925 32.595 31.700 -0.049 0.000 0.979 596 T N 4.415 118.874 114.554 -0.159 0.000 2.814 596 T HA 0.206 4.556 4.350 0.000 0.000 0.297 596 T C -2.009 172.578 174.700 -0.187 0.000 0.956 596 T CA -0.937 61.028 62.100 -0.226 0.000 1.123 596 T CB -0.356 68.322 68.868 -0.317 0.000 0.902 596 T HN 0.329 nan 8.240 nan 0.000 0.528 597 P HA 0.159 nan 4.420 nan 0.000 0.263 597 P C -0.325 176.827 177.300 -0.246 0.000 1.601 597 P CA -0.587 62.424 63.100 -0.149 0.000 1.161 597 P CB -0.094 31.545 31.700 -0.103 0.000 1.730 598 L N 3.820 124.908 121.223 -0.226 0.000 2.410 598 L HA 0.067 4.407 4.340 0.000 0.000 0.273 598 L C 1.107 177.781 176.870 -0.326 0.000 1.144 598 L CA 0.389 55.057 54.840 -0.287 0.000 0.863 598 L CB 0.142 42.072 42.059 -0.215 0.000 1.140 598 L HN 0.240 nan 8.230 nan 0.000 0.463 599 L N 5.591 126.486 121.223 -0.546 0.000 2.357 599 L HA 0.190 4.531 4.340 0.000 0.000 0.211 599 L C -0.585 175.886 176.870 -0.666 0.000 1.075 599 L CA -0.097 54.330 54.840 -0.689 0.000 0.830 599 L CB -0.233 41.159 42.059 -1.111 0.000 0.996 599 L HN 0.698 nan 8.230 nan 0.000 0.467 600 Y N -2.762 117.374 120.300 -0.274 0.000 2.814 600 Y HA 0.492 5.042 4.550 0.000 0.000 0.348 600 Y C -0.938 174.779 175.900 -0.305 0.000 1.245 600 Y CA -2.189 55.603 58.100 -0.514 0.000 1.086 600 Y CB 0.498 38.312 38.460 -1.076 0.000 1.373 600 Y HN -0.225 nan 8.280 nan 0.000 0.451 601 R N 1.144 121.608 120.500 -0.060 0.000 2.310 601 R HA 0.649 4.989 4.340 0.000 0.000 0.324 601 R C -0.508 175.828 176.300 0.059 0.000 0.955 601 R CA -0.543 55.572 56.100 0.025 0.000 0.830 601 R CB 1.260 31.562 30.300 0.002 0.000 1.154 601 R HN 0.802 nan 8.270 nan 0.000 0.458 602 L N 1.167 122.469 121.223 0.132 0.000 2.858 602 L HA 0.428 4.768 4.340 0.000 0.000 0.251 602 L C 0.782 177.705 176.870 0.089 0.000 1.149 602 L CA -0.204 54.684 54.840 0.079 0.000 0.955 602 L CB 1.026 43.138 42.059 0.087 0.000 1.289 602 L HN 0.827 nan 8.230 nan 0.000 0.542 603 G N -0.338 108.536 108.800 0.123 0.000 2.427 603 G HA2 0.535 4.496 3.960 0.000 0.000 0.306 603 G HA3 0.535 4.496 3.960 0.000 0.000 0.306 603 G C -1.540 173.422 174.900 0.102 0.000 1.280 603 G CA -0.123 45.040 45.100 0.105 0.000 0.837 603 G HN -0.062 nan 8.290 nan 0.000 0.482 604 A N -0.832 122.041 122.820 0.089 0.000 2.511 604 A HA 0.525 4.846 4.320 0.000 0.000 0.242 604 A C 0.110 177.729 177.584 0.058 0.000 1.069 604 A CA 0.108 52.183 52.037 0.064 0.000 0.763 604 A CB 0.324 19.358 19.000 0.057 0.000 1.001 604 A HN 1.388 nan 8.150 nan 0.000 0.498 605 V N 3.357 123.280 119.914 0.014 0.000 2.347 605 V HA 0.225 4.345 4.120 0.000 0.000 0.280 605 V C 0.772 176.843 176.094 -0.038 0.000 1.021 605 V CA -0.074 62.205 62.300 -0.035 0.000 0.847 605 V CB 0.947 32.734 31.823 -0.060 0.000 0.990 605 V HN 1.139 nan 8.190 nan 0.000 0.444 606 Q N 3.069 122.835 119.800 -0.056 0.000 2.390 606 Q HA 0.176 4.516 4.340 0.000 0.000 0.216 606 Q C 1.022 176.992 176.000 -0.051 0.000 0.916 606 Q CA 0.278 56.062 55.803 -0.032 0.000 0.911 606 Q CB 0.346 29.081 28.738 -0.004 0.000 1.035 606 Q HN 0.768 nan 8.270 nan 0.000 0.541 607 N N 1.292 119.929 118.700 -0.104 0.000 2.525 607 N HA -0.023 4.717 4.740 0.000 0.000 0.271 607 N C -0.794 174.662 175.510 -0.091 0.000 1.194 607 N CA 0.003 52.990 53.050 -0.105 0.000 0.964 607 N CB 0.631 39.009 38.487 -0.182 0.000 1.126 607 N HN 0.000 nan 8.380 nan 0.000 0.452 608 E N 0.171 120.333 120.200 -0.063 0.000 2.492 608 E HA 0.014 4.364 4.350 0.000 0.000 0.266 608 E C -0.179 176.372 176.600 -0.083 0.000 1.047 608 E CA 0.225 56.591 56.400 -0.057 0.000 0.968 608 E CB 0.408 30.086 29.700 -0.037 0.000 0.960 608 E HN 0.397 nan 8.360 nan 0.000 0.452 609 V N -1.089 118.780 119.914 -0.075 0.000 3.040 609 V HA 0.749 4.869 4.120 0.000 0.000 0.312 609 V C -0.320 175.734 176.094 -0.066 0.000 1.115 609 V CA -0.682 61.564 62.300 -0.091 0.000 0.998 609 V CB 2.253 34.014 31.823 -0.104 0.000 1.042 609 V HN 0.629 nan 8.190 nan 0.000 0.433 610 T N 2.666 117.180 114.554 -0.067 0.000 2.887 610 T HA 0.650 5.001 4.350 0.000 0.000 0.288 610 T C -0.070 174.607 174.700 -0.038 0.000 1.021 610 T CA -0.600 61.476 62.100 -0.041 0.000 1.000 610 T CB 1.445 70.297 68.868 -0.026 0.000 1.034 610 T HN 0.782 nan 8.240 nan 0.000 0.467 611 L N 3.695 124.905 121.223 -0.022 0.000 2.965 611 L HA 0.253 4.594 4.340 0.000 0.000 0.254 611 L C 2.045 178.922 176.870 0.012 0.000 1.220 611 L CA -0.121 54.711 54.840 -0.013 0.000 1.023 611 L CB 0.090 42.139 42.059 -0.016 0.000 1.355 611 L HN 0.856 nan 8.230 nan 0.000 0.545 612 T N -5.296 109.270 114.554 0.020 0.000 3.044 612 T HA -0.010 4.341 4.350 0.000 0.000 0.250 612 T C 0.969 175.691 174.700 0.036 0.000 1.081 612 T CA -0.096 62.015 62.100 0.019 0.000 1.040 612 T CB -0.162 68.706 68.868 -0.000 0.000 0.962 612 T HN 0.190 nan 8.240 nan 0.000 0.506 613 H N 3.006 122.063 119.070 -0.022 0.000 2.928 613 H HA 0.112 4.668 4.556 0.000 0.000 0.338 613 H C -1.774 173.564 175.328 0.017 0.000 1.047 613 H CA -1.312 54.730 56.048 -0.010 0.000 1.435 613 H CB 1.527 31.272 29.762 -0.029 0.000 1.428 613 H HN 0.013 nan 8.280 nan 0.000 0.590 614 P HA -0.173 nan 4.420 nan 0.000 0.218 614 P C 1.689 179.131 177.300 0.237 0.000 1.148 614 P CA 0.911 64.037 63.100 0.044 0.000 0.822 614 P CB 0.335 31.999 31.700 -0.060 0.000 0.784 615 I N -0.980 119.871 120.570 0.468 0.000 2.252 615 I HA -0.158 4.012 4.170 0.000 0.000 0.245 615 I C 1.933 178.200 176.117 0.250 0.000 1.102 615 I CA 1.725 63.227 61.300 0.337 0.000 1.385 615 I CB -1.955 36.226 38.000 0.302 0.000 1.064 615 I HN 0.031 nan 8.210 nan 0.000 0.414 616 T N 1.576 116.239 114.554 0.181 0.000 2.665 616 T HA -0.229 4.121 4.350 0.000 0.000 0.268 616 T C 1.916 176.677 174.700 0.102 0.000 1.035 616 T CA 1.603 63.754 62.100 0.086 0.000 1.151 616 T CB -0.236 68.657 68.868 0.041 0.000 0.862 616 T HN 0.363 nan 8.240 nan 0.000 0.438 617 K N -0.106 120.364 120.400 0.118 0.000 2.097 617 K HA -0.075 4.246 4.320 0.000 0.000 0.205 617 K C 2.142 178.801 176.600 0.099 0.000 1.050 617 K CA 1.110 57.450 56.287 0.087 0.000 0.938 617 K CB -0.329 32.215 32.500 0.073 0.000 0.718 617 K HN 0.396 nan 8.250 nan 0.000 0.442 618 Y N 1.908 122.239 120.300 0.051 0.000 2.165 618 Y HA -0.213 4.338 4.550 0.000 0.000 0.286 618 Y C 1.777 177.698 175.900 0.036 0.000 1.155 618 Y CA 1.427 59.550 58.100 0.039 0.000 1.164 618 Y CB -0.104 38.382 38.460 0.043 0.000 0.978 618 Y HN -0.067 nan 8.280 nan 0.000 0.513 619 I N -0.615 119.991 120.570 0.060 0.000 2.286 619 I HA -0.308 3.862 4.170 0.000 0.000 0.245 619 I C 2.422 178.545 176.117 0.011 0.000 1.104 619 I CA 1.250 62.568 61.300 0.029 0.000 1.397 619 I CB -0.415 37.717 38.000 0.221 0.000 1.072 619 I HN 0.262 nan 8.210 nan 0.000 0.417 620 M N 0.700 120.315 119.600 0.026 0.000 2.106 620 M HA -0.249 4.231 4.480 0.000 0.000 0.259 620 M C 2.535 178.812 176.300 -0.038 0.000 1.068 620 M CA 2.245 57.554 55.300 0.015 0.000 1.100 620 M CB -0.540 32.069 32.600 0.014 0.000 1.351 620 M HN 0.343 nan 8.290 nan 0.000 0.404 621 A N -0.853 121.908 122.820 -0.098 0.000 2.015 621 A HA -0.154 4.166 4.320 0.000 0.000 0.219 621 A C 2.236 179.716 177.584 -0.173 0.000 1.163 621 A CA 1.388 53.344 52.037 -0.134 0.000 0.646 621 A CB -1.135 17.772 19.000 -0.155 0.000 0.806 621 A HN 0.619 nan 8.150 nan 0.000 0.448 622 C N -0.500 118.654 119.300 -0.243 0.000 2.425 622 C HA -0.117 4.344 4.460 0.000 0.000 0.277 622 C C 2.683 177.717 174.990 0.075 0.000 1.280 622 C CA 1.207 60.124 59.018 -0.168 0.000 1.744 622 C CB -0.981 26.581 27.740 -0.297 0.000 1.989 622 C HN 0.593 nan 8.230 nan 0.000 0.491 623 M N 0.681 120.323 119.600 0.069 0.000 2.539 623 M HA -0.061 4.420 4.480 0.000 0.000 0.261 623 M C 1.848 178.058 176.300 -0.151 0.000 1.069 623 M CA 1.054 56.329 55.300 -0.040 0.000 1.081 623 M CB -1.498 31.088 32.600 -0.022 0.000 1.412 623 M HN 0.277 nan 8.290 nan 0.000 0.482 624 S N 0.372 116.010 115.700 -0.103 0.000 2.603 624 S HA 0.281 4.752 4.470 0.000 0.000 0.220 624 S C 1.039 175.562 174.600 -0.127 0.000 0.967 624 S CA 0.015 58.148 58.200 -0.113 0.000 0.920 624 S CB -0.195 62.956 63.200 -0.082 0.000 0.773 624 S HN 0.504 nan 8.310 nan 0.000 0.529 625 A N 1.643 124.382 122.820 -0.136 0.000 2.313 625 A HA 0.341 4.661 4.320 0.000 0.000 0.261 625 A C -0.309 177.154 177.584 -0.202 0.000 1.090 625 A CA -0.596 51.364 52.037 -0.128 0.000 0.807 625 A CB 0.144 19.103 19.000 -0.068 0.000 1.055 625 A HN 0.154 nan 8.150 nan 0.000 0.492 626 D N 0.993 121.301 120.400 -0.153 0.000 2.389 626 D HA 0.255 4.896 4.640 0.000 0.000 0.263 626 D C -0.598 175.559 176.300 -0.238 0.000 1.255 626 D CA 1.011 54.915 54.000 -0.161 0.000 0.914 626 D CB 0.229 40.974 40.800 -0.090 0.000 1.116 626 D HN 0.330 nan 8.370 nan 0.000 0.502 627 L N 2.584 123.606 121.223 -0.335 0.000 2.295 627 L HA 0.201 4.541 4.340 0.000 0.000 0.281 627 L C 0.799 177.561 176.870 -0.180 0.000 1.018 627 L CA -0.608 53.959 54.840 -0.454 0.000 0.841 627 L CB 1.213 42.726 42.059 -0.911 0.000 1.218 627 L HN 0.260 nan 8.230 nan 0.000 0.424 628 E N 3.678 123.876 120.200 -0.003 0.000 2.351 628 E HA 0.281 4.631 4.350 0.000 0.000 0.266 628 E C -0.934 175.749 176.600 0.138 0.000 1.031 628 E CA -0.326 56.105 56.400 0.051 0.000 0.911 628 E CB 0.990 30.709 29.700 0.032 0.000 0.986 628 E HN 0.401 nan 8.360 nan 0.000 0.446 629 V N 2.151 122.099 119.914 0.056 0.000 2.789 629 V HA 0.510 4.630 4.120 0.000 0.000 0.311 629 V C -0.073 175.994 176.094 -0.045 0.000 1.073 629 V CA -1.089 61.247 62.300 0.060 0.000 0.921 629 V CB 1.275 33.158 31.823 0.100 0.000 1.009 629 V HN 0.456 nan 8.190 nan 0.000 0.426 630 V N 2.185 122.014 119.914 -0.142 0.000 2.555 630 V HA 0.667 4.787 4.120 0.000 0.000 0.286 630 V C 0.768 176.757 176.094 -0.175 0.000 1.044 630 V CA 0.689 62.804 62.300 -0.308 0.000 1.026 630 V CB 0.454 31.835 31.823 -0.736 0.000 0.981 630 V HN 1.309 nan 8.190 nan 0.000 0.480 631 T N 0.000 114.499 114.554 -0.092 0.000 3.816 631 T HA 0.000 4.350 4.350 0.000 0.000 0.228 631 T CA 0.000 62.134 62.100 0.057 0.000 1.349 631 T CB 0.000 69.001 68.868 0.222 0.000 0.612 631 T HN 0.000 nan 8.240 nan 0.000 0.658