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 3o8b_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 0.000 174.904 174.900 0.007 0.000 0.946 -15 G CA 0.000 45.105 45.100 0.008 0.000 0.502 -14 S N -1.135 114.555 115.700 -0.018 0.000 2.632 -14 S HA 0.600 5.070 4.470 0.000 0.000 0.271 -14 S C 0.624 175.187 174.600 -0.062 0.000 1.260 -14 S CA -0.552 57.622 58.200 -0.043 0.000 1.010 -14 S CB 1.680 64.826 63.200 -0.091 0.000 0.965 -14 S HN 0.668 nan 8.310 nan 0.000 0.534 -13 V N 2.357 122.215 119.914 -0.094 0.000 2.715 -13 V HA 0.256 4.377 4.120 0.000 0.000 0.299 -13 V C -0.102 175.846 176.094 -0.242 0.000 1.054 -13 V CA -0.069 62.145 62.300 -0.143 0.000 1.077 -13 V CB 1.036 32.765 31.823 -0.156 0.000 0.972 -13 V HN 0.617 nan 8.190 nan 0.000 0.484 -12 V N 5.576 125.362 119.914 -0.214 0.000 2.656 -12 V HA 0.449 4.569 4.120 0.000 0.000 0.307 -12 V C -0.123 175.846 176.094 -0.210 0.000 1.051 -12 V CA -0.652 61.528 62.300 -0.201 0.000 0.893 -12 V CB 2.026 33.768 31.823 -0.135 0.000 0.999 -12 V HN 0.647 nan 8.190 nan 0.000 0.426 -11 I N 4.562 125.014 120.570 -0.197 0.000 2.517 -11 I HA 0.104 4.274 4.170 0.000 0.000 0.285 -11 I C 0.963 177.006 176.117 -0.123 0.000 1.106 -11 I CA 0.246 61.447 61.300 -0.165 0.000 1.402 -11 I CB 1.259 39.172 38.000 -0.146 0.000 1.399 -11 I HN 0.645 nan 8.210 nan 0.000 0.535 -10 V N 2.632 122.477 119.914 -0.114 0.000 3.477 -10 V HA 0.670 4.790 4.120 0.000 0.000 0.297 -10 V C 0.540 176.597 176.094 -0.062 0.000 1.433 -10 V CA 0.373 62.624 62.300 -0.082 0.000 1.052 -10 V CB -0.115 31.662 31.823 -0.077 0.000 0.895 -10 V HN 0.863 nan 8.190 nan 0.000 0.438 -9 G N 0.788 109.547 108.800 -0.069 0.000 2.340 -9 G HA2 0.636 4.597 3.960 0.000 0.000 0.299 -9 G HA3 0.636 4.597 3.960 0.000 0.000 0.299 -9 G C -1.468 173.396 174.900 -0.060 0.000 1.291 -9 G CA -0.612 44.457 45.100 -0.051 0.000 0.841 -9 G HN 0.663 nan 8.290 nan 0.000 0.500 -8 R N -1.366 119.100 120.500 -0.056 0.000 2.739 -8 R HA 0.738 5.078 4.340 0.000 0.000 0.271 -8 R C -1.521 174.722 176.300 -0.094 0.000 1.010 -8 R CA -1.025 55.032 56.100 -0.071 0.000 0.897 -8 R CB 1.706 31.963 30.300 -0.072 0.000 1.236 -8 R HN 0.366 nan 8.270 nan 0.000 0.466 -7 I N 2.918 123.422 120.570 -0.110 0.000 2.354 -7 I HA 0.297 4.468 4.170 0.000 0.000 0.286 -7 I C -0.210 175.769 176.117 -0.230 0.000 1.007 -7 I CA -1.048 60.161 61.300 -0.152 0.000 1.167 -7 I CB 1.313 39.257 38.000 -0.093 0.000 1.320 -7 I HN 0.572 nan 8.210 nan 0.000 0.458 -6 I N 7.048 127.350 120.570 -0.447 0.000 2.416 -6 I HA 0.290 4.460 4.170 0.000 0.000 0.288 -6 I C 0.313 176.198 176.117 -0.386 0.000 1.051 -6 I CA -0.382 60.616 61.300 -0.504 0.000 1.375 -6 I CB 0.873 38.341 38.000 -0.885 0.000 1.407 -6 I HN 0.297 nan 8.210 nan 0.000 0.516 -5 L N 5.304 126.407 121.223 -0.200 0.000 2.322 -5 L HA 0.375 4.715 4.340 0.000 0.000 0.279 -5 L C 0.681 177.508 176.870 -0.072 0.000 1.036 -5 L CA -0.706 54.064 54.840 -0.117 0.000 0.807 -5 L CB 1.687 43.692 42.059 -0.089 0.000 1.226 -5 L HN 0.673 nan 8.230 nan 0.000 0.433 -4 S N 0.387 116.065 115.700 -0.038 0.000 2.562 -4 S HA 0.164 4.634 4.470 0.000 0.000 0.281 -4 S C 0.903 175.478 174.600 -0.042 0.000 1.333 -4 S CA -0.194 57.997 58.200 -0.015 0.000 1.052 -4 S CB 1.283 64.478 63.200 -0.009 0.000 0.884 -4 S HN 0.834 nan 8.310 nan 0.000 0.506 -3 G N 0.652 109.435 108.800 -0.029 0.000 3.088 -3 G HA2 0.420 4.380 3.960 0.000 0.000 0.217 -3 G HA3 0.420 4.380 3.960 0.000 0.000 0.217 -3 G C 0.183 175.059 174.900 -0.039 0.000 1.159 -3 G CA 0.188 45.263 45.100 -0.041 0.000 0.760 -3 G HN 1.223 nan 8.290 nan 0.000 0.550 -2 S N -2.059 113.619 115.700 -0.035 0.000 2.588 -2 S HA 0.741 5.211 4.470 0.000 0.000 0.269 -2 S C 0.303 174.881 174.600 -0.037 0.000 1.157 -2 S CA 0.304 58.486 58.200 -0.032 0.000 0.824 -2 S CB 1.592 64.781 63.200 -0.017 0.000 1.126 -2 S HN 1.729 nan 8.310 nan 0.000 0.464 -1 G N 1.866 110.645 108.800 -0.036 0.000 2.601 -1 G HA2 -0.074 3.886 3.960 0.000 0.000 0.261 -1 G HA3 -0.074 3.886 3.960 0.000 0.000 0.261 -1 G C 0.309 175.169 174.900 -0.067 0.000 1.289 -1 G CA 0.320 45.396 45.100 -0.041 0.000 0.920 -1 G HN 2.332 nan 8.290 nan 0.000 0.571 4 T N 2.166 116.682 114.554 -0.063 0.000 2.887 4 T HA 0.991 5.341 4.350 0.000 0.000 0.292 4 T C -0.735 173.971 174.700 0.009 0.000 1.087 4 T CA -0.732 61.361 62.100 -0.011 0.000 1.009 4 T CB 2.695 71.575 68.868 0.021 0.000 1.203 4 T HN 0.923 nan 8.240 nan 0.000 0.518 5 A N 0.821 123.669 122.820 0.046 0.000 2.594 5 A HA 0.860 5.180 4.320 0.000 0.000 0.295 5 A C -1.748 175.907 177.584 0.118 0.000 1.071 5 A CA -1.114 50.933 52.037 0.015 0.000 0.685 5 A CB 1.257 20.243 19.000 -0.024 0.000 1.285 5 A HN 1.696 nan 8.150 nan 0.000 0.405 6 Y N -0.543 119.756 120.300 -0.001 0.000 2.544 6 Y HA 0.756 5.307 4.550 0.000 0.000 0.342 6 Y C -0.100 175.802 175.900 0.003 0.000 1.062 6 Y CA -0.588 57.514 58.100 0.004 0.000 1.023 6 Y CB 0.921 39.382 38.460 0.001 0.000 1.308 6 Y HN 0.995 nan 8.280 nan 0.000 0.457 7 S N 1.945 117.733 115.700 0.146 0.000 2.646 7 S HA 0.629 5.099 4.470 0.000 0.000 0.276 7 S C -0.879 173.800 174.600 0.131 0.000 1.222 7 S CA -0.800 57.435 58.200 0.058 0.000 1.014 7 S CB 1.469 64.701 63.200 0.054 0.000 0.991 7 S HN 0.753 nan 8.310 nan 0.000 0.533 8 Q N 1.025 120.855 119.800 0.050 0.000 2.290 8 Q HA 0.302 4.643 4.340 0.000 0.000 0.269 8 Q C -1.233 174.780 176.000 0.023 0.000 1.016 8 Q CA -0.281 55.561 55.803 0.066 0.000 0.754 8 Q CB 2.206 30.981 28.738 0.061 0.000 1.247 8 Q HN 0.774 nan 8.270 nan 0.000 0.451 9 Q N 1.529 121.344 119.800 0.025 0.000 2.279 9 Q HA 0.197 4.537 4.340 0.000 0.000 0.256 9 Q C 0.268 176.268 176.000 -0.000 0.000 0.937 9 Q CA 0.211 56.017 55.803 0.006 0.000 0.933 9 Q CB 0.974 29.719 28.738 0.011 0.000 1.189 9 Q HN 0.834 nan 8.270 nan 0.000 0.417 10 T N 0.840 115.386 114.554 -0.015 0.000 2.971 10 T HA 0.198 4.548 4.350 0.000 0.000 0.252 10 T C 0.425 175.112 174.700 -0.022 0.000 1.022 10 T CA -0.298 61.791 62.100 -0.018 0.000 0.980 10 T CB 0.260 69.112 68.868 -0.027 0.000 1.044 10 T HN 0.680 nan 8.240 nan 0.000 0.501 11 R N -0.028 120.457 120.500 -0.025 0.000 2.680 11 R HA 0.673 5.013 4.340 0.000 0.000 0.269 11 R C -0.377 175.910 176.300 -0.022 0.000 1.026 11 R CA -0.793 55.292 56.100 -0.025 0.000 0.889 11 R CB 0.828 31.108 30.300 -0.034 0.000 1.241 11 R HN 0.083 nan 8.270 nan 0.000 0.463 12 G N 0.689 109.479 108.800 -0.017 0.000 2.532 12 G HA2 0.308 4.269 3.960 0.000 0.000 0.291 12 G HA3 0.308 4.269 3.960 0.000 0.000 0.291 12 G C 0.424 175.316 174.900 -0.014 0.000 1.349 12 G CA -0.700 44.393 45.100 -0.012 0.000 1.038 12 G HN 0.461 nan 8.290 nan 0.000 0.518 13 L N -0.566 120.652 121.223 -0.008 0.000 2.042 13 L HA -0.037 4.303 4.340 0.000 0.000 0.210 13 L C 2.512 179.377 176.870 -0.009 0.000 1.076 13 L CA 1.794 56.630 54.840 -0.007 0.000 0.749 13 L CB -0.751 41.308 42.059 -0.000 0.000 0.893 13 L HN 0.450 nan 8.230 nan 0.000 0.432 14 L N -0.266 120.952 121.223 -0.007 0.000 2.027 14 L HA 0.025 4.366 4.340 0.000 0.000 0.206 14 L C 2.358 179.221 176.870 -0.013 0.000 1.074 14 L CA 2.107 56.942 54.840 -0.007 0.000 0.745 14 L CB -1.477 40.579 42.059 -0.005 0.000 0.898 14 L HN 0.297 nan 8.230 nan 0.000 0.433 15 G N -1.247 107.543 108.800 -0.016 0.000 2.440 15 G HA2 -0.358 3.602 3.960 0.000 0.000 0.218 15 G HA3 -0.358 3.602 3.960 0.000 0.000 0.218 15 G C 1.839 176.721 174.900 -0.030 0.000 1.154 15 G CA 0.994 46.080 45.100 -0.023 0.000 0.767 15 G HN 0.588 nan 8.290 nan 0.000 0.552 16 C N 0.401 119.682 119.300 -0.032 0.000 2.413 16 C HA -0.008 4.452 4.460 0.000 0.000 0.276 16 C C 2.860 177.830 174.990 -0.034 0.000 1.236 16 C CA 0.988 59.982 59.018 -0.041 0.000 1.735 16 C CB -1.027 26.689 27.740 -0.039 0.000 2.031 16 C HN 0.463 nan 8.230 nan 0.000 0.474 17 I N 0.401 120.958 120.570 -0.021 0.000 2.252 17 I HA -0.152 4.018 4.170 0.000 0.000 0.245 17 I C 2.432 178.541 176.117 -0.014 0.000 1.102 17 I CA 1.677 62.969 61.300 -0.013 0.000 1.385 17 I CB -0.501 37.496 38.000 -0.004 0.000 1.064 17 I HN 0.356 nan 8.210 nan 0.000 0.414 18 I N 0.574 121.135 120.570 -0.015 0.000 2.163 18 I HA -0.288 3.882 4.170 0.000 0.000 0.243 18 I C 2.521 178.624 176.117 -0.022 0.000 1.085 18 I CA 1.680 62.971 61.300 -0.015 0.000 1.347 18 I CB -0.593 37.398 38.000 -0.014 0.000 1.044 18 I HN 0.239 nan 8.210 nan 0.000 0.408 19 T N -0.568 113.966 114.554 -0.033 0.000 2.821 19 T HA -0.168 4.182 4.350 0.000 0.000 0.267 19 T C 2.082 176.752 174.700 -0.050 0.000 1.046 19 T CA 1.629 63.702 62.100 -0.045 0.000 1.139 19 T CB -0.213 68.620 68.868 -0.059 0.000 0.871 19 T HN 0.296 nan 8.240 nan 0.000 0.454 20 S N 0.641 116.314 115.700 -0.045 0.000 2.383 20 S HA -0.009 4.461 4.470 0.000 0.000 0.229 20 S C 1.934 176.519 174.600 -0.025 0.000 1.030 20 S CA 0.875 59.051 58.200 -0.041 0.000 1.002 20 S CB -0.409 62.774 63.200 -0.028 0.000 0.829 20 S HN 0.423 nan 8.310 nan 0.000 0.467 21 L N 0.715 121.929 121.223 -0.017 0.000 2.131 21 L HA -0.011 4.329 4.340 0.000 0.000 0.206 21 L C 2.931 179.796 176.870 -0.008 0.000 1.087 21 L CA 1.585 56.422 54.840 -0.005 0.000 0.767 21 L CB -0.763 41.297 42.059 0.001 0.000 0.917 21 L HN 0.509 nan 8.230 nan 0.000 0.441 22 T N -4.012 110.532 114.554 -0.016 0.000 2.978 22 T HA 0.094 4.444 4.350 0.000 0.000 0.262 22 T C 1.602 176.286 174.700 -0.026 0.000 1.063 22 T CA 0.705 62.795 62.100 -0.017 0.000 1.140 22 T CB 0.157 69.014 68.868 -0.019 0.000 0.886 22 T HN 0.422 nan 8.240 nan 0.000 0.470 23 G N 1.641 110.417 108.800 -0.040 0.000 2.162 23 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 23 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 23 G C 0.134 174.995 174.900 -0.065 0.000 0.976 23 G CA 0.241 45.307 45.100 -0.058 0.000 0.655 23 G HN 0.875 nan 8.290 nan 0.000 0.533 24 R N 0.529 120.997 120.500 -0.054 0.000 2.288 24 R HA 0.520 4.860 4.340 0.000 0.000 0.326 24 R C -1.707 174.559 176.300 -0.057 0.000 0.959 24 R CA -0.630 55.439 56.100 -0.052 0.000 0.834 24 R CB 0.818 31.096 30.300 -0.036 0.000 1.157 24 R HN 0.080 nan 8.270 nan 0.000 0.470 25 D N 3.594 123.953 120.400 -0.068 0.000 2.471 25 D HA 0.190 4.831 4.640 0.000 0.000 0.245 25 D C -0.177 176.088 176.300 -0.058 0.000 1.116 25 D CA -0.518 53.441 54.000 -0.069 0.000 0.853 25 D CB 1.500 42.244 40.800 -0.093 0.000 1.123 25 D HN 0.347 nan 8.370 nan 0.000 0.540 26 K N 2.150 122.523 120.400 -0.046 0.000 2.404 26 K HA 0.140 4.460 4.320 0.000 0.000 0.194 26 K C 0.021 176.599 176.600 -0.036 0.000 1.023 26 K CA -0.227 56.038 56.287 -0.037 0.000 1.094 26 K CB -0.152 32.331 32.500 -0.029 0.000 0.841 26 K HN 0.358 nan 8.250 nan 0.000 0.523 27 N N 2.450 121.125 118.700 -0.041 0.000 2.454 27 N HA -0.080 4.660 4.740 0.000 0.000 0.254 27 N C 0.249 175.737 175.510 -0.037 0.000 1.228 27 N CA 0.246 53.273 53.050 -0.038 0.000 0.900 27 N CB 0.371 38.832 38.487 -0.043 0.000 1.089 27 N HN 0.068 nan 8.380 nan 0.000 0.449 28 Q N 1.030 120.813 119.800 -0.028 0.000 2.286 28 Q HA 0.172 4.512 4.340 0.000 0.000 0.290 28 Q C -0.648 175.333 176.000 -0.031 0.000 1.049 28 Q CA -0.149 55.639 55.803 -0.025 0.000 0.923 28 Q CB 0.515 29.243 28.738 -0.017 0.000 1.183 28 Q HN 0.411 nan 8.270 nan 0.000 0.383 29 V N 2.985 122.880 119.914 -0.032 0.000 2.483 29 V HA 0.682 4.802 4.120 0.000 0.000 0.295 29 V C -0.988 175.091 176.094 -0.026 0.000 1.035 29 V CA -0.394 61.885 62.300 -0.036 0.000 0.896 29 V CB 1.705 33.501 31.823 -0.045 0.000 0.986 29 V HN 0.945 nan 8.190 nan 0.000 0.447 30 E N 3.354 123.538 120.200 -0.027 0.000 2.416 30 E HA 0.696 5.046 4.350 0.000 0.000 0.273 30 E C 0.171 176.753 176.600 -0.030 0.000 0.935 30 E CA 0.004 56.390 56.400 -0.023 0.000 0.784 30 E CB 1.919 31.608 29.700 -0.019 0.000 1.301 30 E HN 1.611 nan 8.360 nan 0.000 0.454 31 G N 1.624 110.407 108.800 -0.028 0.000 2.796 31 G HA2 -0.255 3.706 3.960 0.000 0.000 0.226 31 G HA3 -0.255 3.706 3.960 0.000 0.000 0.226 31 G C 0.437 175.325 174.900 -0.020 0.000 1.381 31 G CA 0.390 45.468 45.100 -0.038 0.000 0.867 31 G HN 0.642 nan 8.290 nan 0.000 0.552 32 E N -1.754 118.435 120.200 -0.018 0.000 2.399 32 E HA 0.190 4.540 4.350 0.000 0.000 0.205 32 E C 0.870 177.484 176.600 0.023 0.000 0.906 32 E CA 0.829 57.236 56.400 0.013 0.000 0.998 32 E CB 0.403 30.119 29.700 0.026 0.000 1.002 32 E HN 0.703 nan 8.360 nan 0.000 0.501 33 V N 3.766 123.678 119.914 -0.003 0.000 2.350 33 V HA 0.211 4.331 4.120 0.000 0.000 0.276 33 V C -0.218 175.866 176.094 -0.017 0.000 1.028 33 V CA -0.603 61.701 62.300 0.007 0.000 0.860 33 V CB 1.229 33.048 31.823 -0.006 0.000 0.990 33 V HN 0.112 nan 8.190 nan 0.000 0.453 34 Q N 3.400 123.198 119.800 -0.005 0.000 2.245 34 Q HA 0.530 4.870 4.340 0.000 0.000 0.256 34 Q C -0.559 175.405 176.000 -0.059 0.000 0.942 34 Q CA -0.635 55.144 55.803 -0.040 0.000 0.896 34 Q CB 2.469 31.179 28.738 -0.046 0.000 1.272 34 Q HN 0.507 nan 8.270 nan 0.000 0.442 35 V N 2.930 122.793 119.914 -0.085 0.000 2.406 35 V HA 0.369 4.489 4.120 0.000 0.000 0.272 35 V C 0.355 176.342 176.094 -0.179 0.000 1.043 35 V CA -0.558 61.673 62.300 -0.115 0.000 0.915 35 V CB 1.042 32.811 31.823 -0.090 0.000 0.988 35 V HN 0.588 nan 8.190 nan 0.000 0.466 36 V N 2.365 122.098 119.914 -0.301 0.000 2.960 36 V HA 0.950 5.070 4.120 0.000 0.000 0.315 36 V C -0.263 175.533 176.094 -0.497 0.000 1.087 36 V CA -0.372 61.685 62.300 -0.404 0.000 0.982 36 V CB 2.261 33.790 31.823 -0.490 0.000 1.039 36 V HN 0.720 nan 8.190 nan 0.000 0.437 37 S N 0.969 116.460 115.700 -0.348 0.000 2.564 37 S HA 0.815 5.286 4.470 0.000 0.000 0.274 37 S C -0.017 174.509 174.600 -0.123 0.000 1.124 37 S CA -0.117 57.950 58.200 -0.221 0.000 0.869 37 S CB 2.216 65.349 63.200 -0.112 0.000 1.105 37 S HN 1.331 nan 8.310 nan 0.000 0.472 38 T N -0.703 113.849 114.554 -0.005 0.000 2.849 38 T HA 0.740 5.090 4.350 0.000 0.000 0.272 38 T C 1.426 176.141 174.700 0.024 0.000 1.046 38 T CA -0.021 62.100 62.100 0.035 0.000 0.983 38 T CB -0.018 68.916 68.868 0.110 0.000 1.721 38 T HN 0.548 nan 8.240 nan 0.000 0.594 39 A N 0.353 123.193 122.820 0.033 0.000 1.968 39 A HA 0.112 4.432 4.320 0.000 0.000 0.217 39 A C 2.344 179.949 177.584 0.035 0.000 1.169 39 A CA 1.937 53.989 52.037 0.026 0.000 0.638 39 A CB -1.349 17.667 19.000 0.026 0.000 0.812 39 A HN 1.002 nan 8.150 nan 0.000 0.446 40 T N -3.056 111.529 114.554 0.052 0.000 2.978 40 T HA 0.234 4.584 4.350 0.000 0.000 0.248 40 T C 0.672 175.418 174.700 0.077 0.000 1.018 40 T CA 0.271 62.405 62.100 0.056 0.000 1.026 40 T CB -0.128 68.770 68.868 0.050 0.000 1.032 40 T HN 0.648 nan 8.240 nan 0.000 0.485 41 Q N 0.420 120.289 119.800 0.115 0.000 2.458 41 Q HA 0.785 5.125 4.340 0.000 0.000 0.282 41 Q C -1.381 174.738 176.000 0.200 0.000 1.106 41 Q CA -1.028 54.877 55.803 0.170 0.000 0.814 41 Q CB 2.214 31.076 28.738 0.207 0.000 1.425 41 Q HN 0.054 nan 8.270 nan 0.000 0.437 42 S N 0.644 116.475 115.700 0.220 0.000 2.541 42 S HA 0.872 5.342 4.470 0.000 0.000 0.280 42 S C -1.455 173.296 174.600 0.251 0.000 1.112 42 S CA -0.459 57.800 58.200 0.098 0.000 0.925 42 S CB 0.770 63.978 63.200 0.014 0.000 1.067 42 S HN 0.621 nan 8.310 nan 0.000 0.479 43 F N 1.487 121.442 119.950 0.008 0.000 3.523 43 F HA 0.706 5.233 4.527 0.000 0.000 0.328 43 F C -1.954 173.858 175.800 0.019 0.000 1.181 43 F CA -1.298 56.711 58.000 0.015 0.000 0.901 43 F CB 0.498 39.506 39.000 0.014 0.000 1.586 43 F HN 0.433 nan 8.300 nan 0.000 0.520 44 L N 1.021 122.372 121.223 0.214 0.000 2.323 44 L HA 0.922 5.262 4.340 0.000 0.000 0.265 44 L C -0.806 176.172 176.870 0.181 0.000 1.012 44 L CA -1.257 53.644 54.840 0.101 0.000 0.820 44 L CB 1.956 44.093 42.059 0.130 0.000 1.334 44 L HN 0.965 nan 8.230 nan 0.000 0.427 45 A N 0.561 123.455 122.820 0.123 0.000 2.422 45 A HA 0.799 5.119 4.320 0.000 0.000 0.302 45 A C -0.852 176.839 177.584 0.178 0.000 1.041 45 A CA -0.411 51.754 52.037 0.213 0.000 0.708 45 A CB 1.765 20.907 19.000 0.237 0.000 1.257 45 A HN 0.573 nan 8.150 nan 0.000 0.414 46 T N 1.475 116.170 114.554 0.236 0.000 2.812 46 T HA 0.398 4.748 4.350 0.000 0.000 0.282 46 T C -0.420 174.446 174.700 0.278 0.000 0.990 46 T CA -0.202 62.023 62.100 0.209 0.000 0.960 46 T CB 0.649 69.631 68.868 0.190 0.000 0.948 46 T HN 0.703 nan 8.240 nan 0.000 0.438 47 C N 3.986 123.403 119.300 0.195 0.000 2.482 47 C HA 0.608 5.068 4.460 0.000 0.000 0.378 47 C C 0.373 175.511 174.990 0.247 0.000 1.284 47 C CA -0.729 58.406 59.018 0.196 0.000 1.826 47 C CB -1.169 26.634 27.740 0.104 0.000 2.473 47 C HN 0.654 nan 8.230 nan 0.000 0.562 48 V N 4.915 125.061 119.914 0.387 0.000 2.577 48 V HA 0.426 4.546 4.120 0.000 0.000 0.303 48 V C -0.148 176.161 176.094 0.358 0.000 1.042 48 V CA -0.590 61.916 62.300 0.343 0.000 0.872 48 V CB 1.633 33.641 31.823 0.308 0.000 0.998 48 V HN 0.899 nan 8.190 nan 0.000 0.423 49 N N 3.502 122.333 118.700 0.217 0.000 2.721 49 N HA -0.209 4.531 4.740 0.000 0.000 0.249 49 N C 1.159 176.762 175.510 0.156 0.000 1.072 49 N CA 1.860 55.017 53.050 0.178 0.000 0.710 49 N CB -1.117 37.483 38.487 0.189 0.000 0.993 49 N HN 1.674 nan 8.380 nan 0.000 0.547 50 G N -3.248 105.624 108.800 0.120 0.000 2.159 50 G HA2 -0.286 3.674 3.960 0.000 0.000 0.256 50 G HA3 -0.286 3.674 3.960 0.000 0.000 0.256 50 G C -0.074 174.834 174.900 0.012 0.000 0.977 50 G CA 0.349 45.488 45.100 0.065 0.000 0.652 50 G HN 0.551 nan 8.290 nan 0.000 0.531 51 V N 0.351 120.244 119.914 -0.036 0.000 2.495 51 V HA 0.563 4.683 4.120 0.000 0.000 0.298 51 V C 0.692 176.555 176.094 -0.386 0.000 1.031 51 V CA -0.582 61.522 62.300 -0.326 0.000 0.871 51 V CB 1.762 33.132 31.823 -0.755 0.000 0.988 51 V HN 0.539 nan 8.190 nan 0.000 0.432 52 C N 6.539 125.705 119.300 -0.224 0.000 2.349 52 C HA 0.542 5.003 4.460 0.000 0.000 0.348 52 C C -0.427 174.551 174.990 -0.020 0.000 1.223 52 C CA -0.857 58.167 59.018 0.011 0.000 1.746 52 C CB -1.281 26.573 27.740 0.190 0.000 2.360 52 C HN 0.825 nan 8.230 nan 0.000 0.533 53 W N 4.417 125.817 121.300 0.167 0.000 2.512 53 W HA 0.636 5.296 4.660 0.000 0.000 0.335 53 W C 0.594 177.185 176.519 0.119 0.000 1.088 53 W CA -0.228 57.168 57.345 0.085 0.000 1.236 53 W CB 1.619 31.111 29.460 0.053 0.000 1.307 53 W HN 0.663 nan 8.180 nan 0.000 0.567 54 T N 0.109 114.836 114.554 0.290 0.000 2.665 54 T HA 0.461 4.811 4.350 0.000 0.000 0.303 54 T C -1.155 173.606 174.700 0.101 0.000 1.334 54 T CA -0.729 61.523 62.100 0.253 0.000 1.011 54 T CB 0.469 69.595 68.868 0.431 0.000 1.573 54 T HN 0.387 nan 8.240 nan 0.000 0.492 55 V N 2.183 122.081 119.914 -0.027 0.000 2.649 55 V HA 0.426 4.546 4.120 0.000 0.000 0.292 55 V C 1.128 177.088 176.094 -0.223 0.000 1.055 55 V CA -0.339 61.835 62.300 -0.210 0.000 1.023 55 V CB 0.454 31.914 31.823 -0.605 0.000 0.992 55 V HN 0.918 nan 8.190 nan 0.000 0.480 56 Y N 4.199 124.380 120.300 -0.197 0.000 2.224 56 Y HA -0.227 4.324 4.550 0.000 0.000 0.289 56 Y C 2.568 178.371 175.900 -0.162 0.000 1.146 56 Y CA 2.463 60.478 58.100 -0.142 0.000 1.182 56 Y CB -0.355 38.061 38.460 -0.073 0.000 0.983 56 Y HN 0.931 nan 8.280 nan 0.000 0.524 57 H N -2.485 116.492 119.070 -0.154 0.000 2.521 57 H HA 0.029 4.585 4.556 0.000 0.000 0.286 57 H C 1.970 177.075 175.328 -0.372 0.000 1.034 57 H CA 1.106 57.010 56.048 -0.239 0.000 1.278 57 H CB -0.446 29.232 29.762 -0.141 0.000 1.386 57 H HN 0.451 nan 8.280 nan 0.000 0.567 58 G N 0.353 108.667 108.800 -0.809 0.000 2.497 58 G HA2 0.134 4.094 3.960 0.000 0.000 0.210 58 G HA3 0.134 4.094 3.960 0.000 0.000 0.210 58 G C 1.755 176.330 174.900 -0.542 0.000 1.177 58 G CA 0.519 44.992 45.100 -1.043 0.000 0.822 58 G HN 0.538 nan 8.290 nan 0.000 0.550 59 A N -0.173 122.474 122.820 -0.289 0.000 2.195 59 A HA 0.521 4.842 4.320 0.000 0.000 0.210 59 A C 1.922 179.464 177.584 -0.070 0.000 1.165 59 A CA 1.362 53.470 52.037 0.119 0.000 0.806 59 A CB -0.620 18.614 19.000 0.389 0.000 0.847 59 A HN 1.571 nan 8.150 nan 0.000 0.482 60 G N -0.257 108.284 108.800 -0.432 0.000 2.614 60 G HA2 -0.317 3.643 3.960 0.000 0.000 0.303 60 G HA3 -0.317 3.643 3.960 0.000 0.000 0.303 60 G C 0.812 175.607 174.900 -0.175 0.000 1.270 60 G CA 0.570 45.263 45.100 -0.679 0.000 0.988 60 G HN 0.766 nan 8.290 nan 0.000 0.551 61 S N 1.160 116.872 115.700 0.020 0.000 2.582 61 S HA 0.238 4.708 4.470 0.000 0.000 0.234 61 S C 0.875 175.553 174.600 0.131 0.000 0.961 61 S CA 0.203 58.476 58.200 0.121 0.000 0.953 61 S CB 0.068 63.347 63.200 0.132 0.000 0.800 61 S HN 0.530 nan 8.310 nan 0.000 0.471 62 K N 2.814 123.312 120.400 0.163 0.000 2.380 62 K HA 0.103 4.423 4.320 0.000 0.000 0.267 62 K C 0.873 177.701 176.600 0.380 0.000 0.990 62 K CA 0.109 56.524 56.287 0.213 0.000 0.946 62 K CB 0.305 32.923 32.500 0.196 0.000 0.937 62 K HN 0.303 nan 8.250 nan 0.000 0.491 63 T N -0.472 114.225 114.554 0.238 0.000 2.788 63 T HA 0.290 4.640 4.350 0.000 0.000 0.287 63 T C -0.221 174.427 174.700 -0.086 0.000 1.007 63 T CA -0.932 61.289 62.100 0.202 0.000 1.005 63 T CB 0.655 69.558 68.868 0.060 0.000 1.012 63 T HN 0.293 nan 8.240 nan 0.000 0.530 64 L N 1.604 122.518 121.223 -0.515 0.000 2.296 64 L HA 0.689 5.029 4.340 0.000 0.000 0.286 64 L C 0.225 176.836 176.870 -0.432 0.000 1.023 64 L CA -0.748 53.588 54.840 -0.841 0.000 0.812 64 L CB 0.693 41.776 42.059 -1.626 0.000 1.223 64 L HN 1.015 nan 8.230 nan 0.000 0.421 65 A N 3.679 126.308 122.820 -0.319 0.000 2.524 65 A HA 0.564 4.884 4.320 0.000 0.000 0.250 65 A C 0.436 177.903 177.584 -0.196 0.000 1.078 65 A CA 0.644 52.559 52.037 -0.202 0.000 0.761 65 A CB -0.659 18.247 19.000 -0.158 0.000 1.012 65 A HN 0.994 nan 8.150 nan 0.000 0.500 66 G N 1.382 110.097 108.800 -0.141 0.000 2.733 66 G HA2 0.654 4.614 3.960 0.000 0.000 0.288 66 G HA3 0.654 4.614 3.960 0.000 0.000 0.288 66 G C -2.049 172.805 174.900 -0.078 0.000 1.373 66 G CA -0.847 44.183 45.100 -0.116 0.000 0.895 66 G HN 0.341 nan 8.290 nan 0.000 0.479 67 P HA 0.018 nan 4.420 nan 0.000 0.223 67 P C 0.709 177.987 177.300 -0.038 0.000 1.151 67 P CA 0.973 64.045 63.100 -0.047 0.000 0.787 67 P CB 0.455 32.131 31.700 -0.040 0.000 0.788 68 K N -0.486 119.892 120.400 -0.037 0.000 2.478 68 K HA 0.456 4.776 4.320 0.000 0.000 0.205 68 K C 0.609 177.191 176.600 -0.029 0.000 1.033 68 K CA 0.161 56.431 56.287 -0.028 0.000 1.091 68 K CB 0.509 32.996 32.500 -0.022 0.000 0.844 68 K HN 0.211 nan 8.250 nan 0.000 0.507 69 G N 0.841 109.617 108.800 -0.039 0.000 2.422 69 G HA2 -0.129 3.831 3.960 0.000 0.000 0.607 69 G HA3 -0.129 3.831 3.960 0.000 0.000 0.607 69 G C -2.886 171.983 174.900 -0.052 0.000 1.270 69 G CA -1.098 43.979 45.100 -0.039 0.000 0.992 69 G HN -0.067 nan 8.290 nan 0.000 0.499 70 P HA 0.400 nan 4.420 nan 0.000 0.268 70 P C -0.127 177.146 177.300 -0.045 0.000 1.204 70 P CA 0.209 63.274 63.100 -0.059 0.000 0.768 70 P CB 0.498 32.179 31.700 -0.031 0.000 0.842 71 I N 2.918 123.442 120.570 -0.077 0.000 2.315 71 I HA 0.169 4.339 4.170 0.000 0.000 0.291 71 I C 1.347 177.526 176.117 0.104 0.000 1.006 71 I CA -0.457 60.829 61.300 -0.022 0.000 1.265 71 I CB 1.177 39.127 38.000 -0.083 0.000 1.387 71 I HN 0.312 nan 8.210 nan 0.000 0.475 72 T N 2.456 117.085 114.554 0.125 0.000 2.904 72 T HA 0.257 4.608 4.350 0.000 0.000 0.290 72 T C 0.025 174.853 174.700 0.213 0.000 1.018 72 T CA -0.841 61.356 62.100 0.162 0.000 1.075 72 T CB 0.838 69.746 68.868 0.067 0.000 0.986 72 T HN 0.516 nan 8.240 nan 0.000 0.523 73 Q N 1.669 121.541 119.800 0.120 0.000 2.300 73 Q HA 0.121 4.461 4.340 0.000 0.000 0.280 73 Q C 1.037 176.890 176.000 -0.244 0.000 1.033 73 Q CA -0.169 55.525 55.803 -0.182 0.000 0.903 73 Q CB 0.780 29.328 28.738 -0.317 0.000 1.195 73 Q HN 0.766 nan 8.270 nan 0.000 0.386 74 M N 2.459 121.829 119.600 -0.383 0.000 2.334 74 M HA -0.006 4.474 4.480 0.000 0.000 0.266 74 M C -0.770 174.992 176.300 -0.895 0.000 1.082 74 M CA 1.221 56.121 55.300 -0.668 0.000 1.141 74 M CB 0.642 32.758 32.600 -0.807 0.000 1.380 74 M HN 0.557 nan 8.290 nan 0.000 0.440 75 Y N -0.887 119.262 120.300 -0.251 0.000 2.457 75 Y HA 0.410 4.960 4.550 0.000 0.000 0.343 75 Y C -0.811 174.988 175.900 -0.168 0.000 0.994 75 Y CA -1.280 56.717 58.100 -0.171 0.000 1.031 75 Y CB 1.939 40.361 38.460 -0.064 0.000 1.246 75 Y HN -0.234 nan 8.280 nan 0.000 0.449 76 T N 2.815 117.383 114.554 0.023 0.000 3.008 76 T HA 0.206 4.557 4.350 0.000 0.000 0.328 76 T C -1.105 173.552 174.700 -0.070 0.000 1.020 76 T CA -0.829 61.248 62.100 -0.038 0.000 1.043 76 T CB 0.307 69.135 68.868 -0.066 0.000 1.010 76 T HN 0.479 nan 8.240 nan 0.000 0.466 77 N N 3.413 122.073 118.700 -0.066 0.000 2.696 77 N HA 0.211 4.952 4.740 0.000 0.000 0.246 77 N C 0.997 176.395 175.510 -0.187 0.000 1.057 77 N CA -0.408 52.578 53.050 -0.107 0.000 0.867 77 N CB 1.144 39.602 38.487 -0.049 0.000 1.141 77 N HN 0.255 nan 8.380 nan 0.000 0.517 78 V N 2.070 121.783 119.914 -0.334 0.000 2.407 78 V HA -0.183 3.937 4.120 0.000 0.000 0.248 78 V C 1.459 177.435 176.094 -0.197 0.000 1.055 78 V CA 1.472 63.508 62.300 -0.441 0.000 1.049 78 V CB -0.220 31.246 31.823 -0.595 0.000 0.662 78 V HN 0.530 nan 8.190 nan 0.000 0.455 79 D N 0.085 120.396 120.400 -0.148 0.000 2.123 79 D HA -0.206 4.434 4.640 0.000 0.000 0.196 79 D C 2.225 178.481 176.300 -0.074 0.000 0.992 79 D CA 1.425 55.369 54.000 -0.093 0.000 0.833 79 D CB -0.205 40.545 40.800 -0.083 0.000 0.954 79 D HN 0.534 nan 8.370 nan 0.000 0.455 80 Q N -0.228 119.526 119.800 -0.076 0.000 2.425 80 Q HA -0.004 4.336 4.340 0.000 0.000 0.204 80 Q C -0.237 175.742 176.000 -0.036 0.000 0.933 80 Q CA 0.121 55.886 55.803 -0.063 0.000 0.939 80 Q CB 0.524 29.217 28.738 -0.076 0.000 1.044 80 Q HN 0.062 nan 8.270 nan 0.000 0.513 81 D N 0.242 120.631 120.400 -0.019 0.000 2.716 81 D HA -0.180 4.461 4.640 0.000 0.000 0.239 81 D C -1.528 174.802 176.300 0.050 0.000 1.125 81 D CA 0.468 54.500 54.000 0.053 0.000 0.681 81 D CB -1.009 39.839 40.800 0.080 0.000 1.070 81 D HN 0.196 nan 8.370 nan 0.000 0.432 82 L N -0.047 121.201 121.223 0.042 0.000 2.464 82 L HA 0.716 5.056 4.340 0.000 0.000 0.266 82 L C -0.929 176.008 176.870 0.111 0.000 0.965 82 L CA -0.716 54.167 54.840 0.073 0.000 0.833 82 L CB 2.029 44.104 42.059 0.027 0.000 1.296 82 L HN 0.038 nan 8.230 nan 0.000 0.405 83 V N 1.134 121.104 119.914 0.094 0.000 3.001 83 V HA 1.100 5.220 4.120 0.000 0.000 0.314 83 V C -0.282 175.724 176.094 -0.146 0.000 1.099 83 V CA 0.040 62.305 62.300 -0.058 0.000 0.989 83 V CB 1.639 33.304 31.823 -0.264 0.000 1.040 83 V HN 0.999 nan 8.190 nan 0.000 0.434 84 G N 1.689 110.257 108.800 -0.387 0.000 2.701 84 G HA2 0.604 4.564 3.960 0.000 0.000 0.300 84 G HA3 0.604 4.564 3.960 0.000 0.000 0.300 84 G C -1.567 172.965 174.900 -0.614 0.000 1.410 84 G CA -0.569 44.148 45.100 -0.638 0.000 1.014 84 G HN 0.734 nan 8.290 nan 0.000 0.509 85 W N 1.025 122.166 121.300 -0.264 0.000 2.606 85 W HA 0.426 5.086 4.660 0.000 0.000 0.332 85 W C 0.258 176.633 176.519 -0.239 0.000 1.052 85 W CA -0.968 56.251 57.345 -0.210 0.000 1.223 85 W CB 1.856 31.236 29.460 -0.133 0.000 1.383 85 W HN 0.578 nan 8.180 nan 0.000 0.524 86 Q N 1.905 121.716 119.800 0.019 0.000 2.263 86 Q HA 0.307 4.647 4.340 0.000 0.000 0.289 86 Q C 0.195 176.200 176.000 0.008 0.000 1.061 86 Q CA 0.139 55.927 55.803 -0.025 0.000 0.927 86 Q CB 0.747 29.466 28.738 -0.030 0.000 1.154 86 Q HN 0.442 nan 8.270 nan 0.000 0.378 87 A N 6.760 129.574 122.820 -0.009 0.000 2.520 87 A HA 0.297 4.617 4.320 0.000 0.000 0.245 87 A C -2.050 175.527 177.584 -0.013 0.000 1.072 87 A CA -1.128 50.908 52.037 -0.002 0.000 0.761 87 A CB -0.305 18.698 19.000 0.004 0.000 1.004 87 A HN 0.730 nan 8.150 nan 0.000 0.499 88 P HA 0.204 nan 4.420 nan 0.000 0.269 88 P C -2.638 174.646 177.300 -0.028 0.000 1.215 88 P CA -1.117 61.959 63.100 -0.041 0.000 0.780 88 P CB -0.353 31.305 31.700 -0.070 0.000 0.898 89 P HA 0.005 nan 4.420 nan 0.000 0.265 89 P C 0.993 178.283 177.300 -0.017 0.000 1.187 89 P CA 1.025 64.116 63.100 -0.016 0.000 0.766 89 P CB 0.038 31.729 31.700 -0.015 0.000 0.820 90 G N 1.455 110.249 108.800 -0.010 0.000 2.313 90 G HA2 -0.169 3.791 3.960 0.000 0.000 0.215 90 G HA3 -0.169 3.791 3.960 0.000 0.000 0.215 90 G C 0.388 175.283 174.900 -0.008 0.000 1.023 90 G CA 0.074 45.168 45.100 -0.010 0.000 0.626 90 G HN 0.868 nan 8.290 nan 0.000 0.503 91 A N 1.570 124.384 122.820 -0.009 0.000 2.511 91 A HA 0.606 4.926 4.320 0.000 0.000 0.242 91 A C 0.782 178.371 177.584 0.009 0.000 1.069 91 A CA 0.432 52.468 52.037 -0.003 0.000 0.763 91 A CB 0.240 19.239 19.000 -0.001 0.000 1.001 91 A HN 0.457 nan 8.150 nan 0.000 0.498 92 R N 1.318 121.824 120.500 0.011 0.000 2.573 92 R HA 0.629 4.969 4.340 0.000 0.000 0.272 92 R C -0.447 175.876 176.300 0.038 0.000 1.009 92 R CA -0.437 55.675 56.100 0.021 0.000 1.059 92 R CB 1.141 31.448 30.300 0.012 0.000 1.112 92 R HN 0.648 nan 8.270 nan 0.000 0.517 93 S N 0.959 116.690 115.700 0.052 0.000 2.503 93 S HA 0.511 4.981 4.470 0.000 0.000 0.301 93 S C 0.212 174.861 174.600 0.082 0.000 1.087 93 S CA -0.734 57.514 58.200 0.080 0.000 1.042 93 S CB 1.389 64.647 63.200 0.097 0.000 1.043 93 S HN 0.286 nan 8.310 nan 0.000 0.489 94 L N 2.334 123.615 121.223 0.096 0.000 2.466 94 L HA 0.452 4.792 4.340 0.000 0.000 0.257 94 L C 0.848 177.800 176.870 0.137 0.000 1.189 94 L CA -0.325 54.574 54.840 0.098 0.000 0.813 94 L CB 0.537 42.648 42.059 0.086 0.000 1.118 94 L HN 0.713 nan 8.230 nan 0.000 0.471 95 T N -1.490 113.181 114.554 0.195 0.000 2.916 95 T HA 0.556 4.906 4.350 0.000 0.000 0.292 95 T C -2.755 172.039 174.700 0.157 0.000 1.055 95 T CA -2.300 59.901 62.100 0.169 0.000 1.009 95 T CB 1.907 70.859 68.868 0.141 0.000 1.118 95 T HN 0.182 nan 8.240 nan 0.000 0.497 96 P HA 0.211 nan 4.420 nan 0.000 0.269 96 P C 0.099 177.377 177.300 -0.036 0.000 1.209 96 P CA -0.638 62.470 63.100 0.013 0.000 0.776 96 P CB 0.218 31.909 31.700 -0.016 0.000 0.876 97 C N 2.927 122.233 119.300 0.010 0.000 2.637 97 C HA 0.254 4.714 4.460 0.000 0.000 0.418 97 C C 1.805 176.764 174.990 -0.052 0.000 1.319 97 C CA 0.874 59.893 59.018 0.001 0.000 1.949 97 C CB -0.928 26.844 27.740 0.054 0.000 2.639 97 C HN 0.792 nan 8.230 nan 0.000 0.594 98 T N 0.775 115.279 114.554 -0.083 0.000 2.985 98 T HA -0.012 4.338 4.350 0.000 0.000 0.254 98 T C 1.387 176.072 174.700 -0.025 0.000 1.021 98 T CA 0.739 62.802 62.100 -0.062 0.000 0.957 98 T CB -0.686 68.128 68.868 -0.091 0.000 1.047 98 T HN 1.019 nan 8.240 nan 0.000 0.511 99 C N 1.106 120.404 119.300 -0.004 0.000 2.514 99 C HA 0.634 5.094 4.460 0.000 0.000 0.271 99 C C 2.393 177.393 174.990 0.016 0.000 1.399 99 C CA -0.086 58.940 59.018 0.013 0.000 1.765 99 C CB -1.395 26.366 27.740 0.035 0.000 1.893 99 C HN 0.853 nan 8.230 nan 0.000 0.531 100 G N 1.309 110.119 108.800 0.016 0.000 2.168 100 G HA2 -0.255 3.705 3.960 0.000 0.000 0.257 100 G HA3 -0.255 3.705 3.960 0.000 0.000 0.257 100 G C 0.248 175.161 174.900 0.021 0.000 0.997 100 G CA 0.741 45.852 45.100 0.017 0.000 0.708 100 G HN 1.131 nan 8.290 nan 0.000 0.520 101 S N -0.776 114.940 115.700 0.027 0.000 2.568 101 S HA 0.476 4.946 4.470 0.000 0.000 0.282 101 S C 1.548 176.158 174.600 0.016 0.000 1.338 101 S CA 0.837 59.053 58.200 0.027 0.000 1.045 101 S CB 0.984 64.210 63.200 0.043 0.000 0.873 101 S HN 0.538 nan 8.310 nan 0.000 0.516 102 S N 1.793 117.498 115.700 0.008 0.000 2.556 102 S HA 0.159 4.630 4.470 0.000 0.000 0.216 102 S C -0.439 174.137 174.600 -0.039 0.000 0.970 102 S CA -0.287 57.911 58.200 -0.003 0.000 0.912 102 S CB 0.015 63.217 63.200 0.003 0.000 0.790 102 S HN 0.708 nan 8.310 nan 0.000 0.504 103 D N 2.480 122.854 120.400 -0.043 0.000 2.411 103 D HA 0.307 4.948 4.640 0.000 0.000 0.225 103 D C -0.349 175.825 176.300 -0.210 0.000 1.156 103 D CA 0.129 54.058 54.000 -0.117 0.000 0.874 103 D CB 0.778 41.558 40.800 -0.032 0.000 1.034 103 D HN 0.256 nan 8.370 nan 0.000 0.502 104 L N 1.706 122.707 121.223 -0.371 0.000 2.332 104 L HA 0.511 4.851 4.340 0.000 0.000 0.269 104 L C -0.753 175.668 176.870 -0.750 0.000 1.016 104 L CA -1.094 53.526 54.840 -0.367 0.000 0.809 104 L CB 1.088 42.998 42.059 -0.250 0.000 1.280 104 L HN 0.226 nan 8.230 nan 0.000 0.447 105 Y N 1.304 121.555 120.300 -0.081 0.000 2.331 105 Y HA 0.420 4.970 4.550 0.000 0.000 0.326 105 Y C -0.544 175.303 175.900 -0.088 0.000 1.020 105 Y CA -0.651 57.409 58.100 -0.067 0.000 1.136 105 Y CB 1.965 40.397 38.460 -0.048 0.000 1.157 105 Y HN 0.268 nan 8.280 nan 0.000 0.444 106 L N 4.640 125.865 121.223 0.002 0.000 2.275 106 L HA 0.719 5.059 4.340 0.000 0.000 0.288 106 L C -1.101 175.759 176.870 -0.017 0.000 1.046 106 L CA -0.522 54.282 54.840 -0.059 0.000 0.805 106 L CB 0.962 42.917 42.059 -0.172 0.000 1.193 106 L HN 0.411 nan 8.230 nan 0.000 0.426 107 V N 4.609 124.513 119.914 -0.017 0.000 2.370 107 V HA 0.500 4.621 4.120 0.000 0.000 0.279 107 V C 0.626 176.703 176.094 -0.028 0.000 1.029 107 V CA -0.140 62.156 62.300 -0.006 0.000 0.870 107 V CB 1.152 32.974 31.823 -0.001 0.000 0.984 107 V HN 0.968 nan 8.190 nan 0.000 0.451 108 T N 2.046 116.574 114.554 -0.043 0.000 2.897 108 T HA 0.371 4.721 4.350 0.000 0.000 0.278 108 T C 1.131 175.758 174.700 -0.121 0.000 0.981 108 T CA -0.525 61.518 62.100 -0.095 0.000 0.973 108 T CB 1.081 69.857 68.868 -0.154 0.000 1.092 108 T HN 0.718 nan 8.240 nan 0.000 0.543 109 R N -0.353 120.010 120.500 -0.229 0.000 2.285 109 R HA -0.016 4.324 4.340 0.000 0.000 0.213 109 R C 0.938 177.062 176.300 -0.293 0.000 1.068 109 R CA 1.315 57.256 56.100 -0.265 0.000 1.004 109 R CB -0.805 29.303 30.300 -0.320 0.000 0.873 109 R HN 0.844 nan 8.270 nan 0.000 0.467 110 H N 0.150 119.180 119.070 -0.067 0.000 2.517 110 H HA 0.419 4.975 4.556 0.000 0.000 0.282 110 H C 0.519 175.831 175.328 -0.027 0.000 1.023 110 H CA 0.187 56.201 56.048 -0.057 0.000 1.169 110 H CB 0.963 30.663 29.762 -0.105 0.000 1.454 110 H HN 0.418 nan 8.280 nan 0.000 0.556 111 A N 0.920 123.761 122.820 0.036 0.000 2.860 111 A HA -0.214 4.106 4.320 0.000 0.000 0.267 111 A C -0.275 177.345 177.584 0.060 0.000 1.421 111 A CA 0.701 52.759 52.037 0.036 0.000 0.831 111 A CB -1.951 17.082 19.000 0.056 0.000 1.041 111 A HN 0.504 nan 8.150 nan 0.000 0.623 112 D N -0.518 119.920 120.400 0.064 0.000 2.341 112 D HA 0.433 5.073 4.640 0.000 0.000 0.245 112 D C 0.091 176.439 176.300 0.079 0.000 1.106 112 D CA 0.177 54.235 54.000 0.097 0.000 0.905 112 D CB 1.519 42.413 40.800 0.158 0.000 1.202 112 D HN 0.229 nan 8.370 nan 0.000 0.426 113 V N 3.377 123.348 119.914 0.095 0.000 2.350 113 V HA 0.224 4.344 4.120 0.000 0.000 0.285 113 V C -0.114 176.068 176.094 0.147 0.000 1.014 113 V CA -0.740 61.620 62.300 0.100 0.000 0.831 113 V CB 1.343 33.204 31.823 0.064 0.000 1.000 113 V HN 0.340 nan 8.190 nan 0.000 0.433 114 I N 7.688 128.340 120.570 0.136 0.000 2.362 114 I HA 0.454 4.624 4.170 0.000 0.000 0.289 114 I C -2.320 173.820 176.117 0.039 0.000 0.994 114 I CA -3.010 58.348 61.300 0.097 0.000 1.158 114 I CB 2.075 40.117 38.000 0.071 0.000 1.315 114 I HN 0.358 nan 8.210 nan 0.000 0.451 115 P HA 0.267 nan 4.420 nan 0.000 0.276 115 P C -0.677 176.498 177.300 -0.209 0.000 1.230 115 P CA -0.138 62.833 63.100 -0.215 0.000 0.776 115 P CB 1.556 33.191 31.700 -0.107 0.000 0.888 116 V N 3.961 123.694 119.914 -0.301 0.000 2.733 116 V HA 0.347 4.468 4.120 0.000 0.000 0.306 116 V C 0.056 176.044 176.094 -0.176 0.000 1.084 116 V CA -0.775 61.419 62.300 -0.178 0.000 0.905 116 V CB 2.358 34.097 31.823 -0.140 0.000 1.010 116 V HN 0.433 nan 8.190 nan 0.000 0.424 117 R N 3.858 124.302 120.500 -0.095 0.000 2.207 117 R HA 0.427 4.768 4.340 0.000 0.000 0.334 117 R C 0.028 176.325 176.300 -0.006 0.000 1.013 117 R CA -0.353 55.709 56.100 -0.064 0.000 0.858 117 R CB 0.496 30.769 30.300 -0.044 0.000 1.094 117 R HN 0.740 nan 8.270 nan 0.000 0.457 118 R N 3.155 123.661 120.500 0.010 0.000 2.570 118 R HA 0.047 4.388 4.340 0.000 0.000 0.277 118 R C 0.045 176.384 176.300 0.065 0.000 1.039 118 R CA 0.279 56.431 56.100 0.087 0.000 1.065 118 R CB 0.574 30.932 30.300 0.097 0.000 0.964 118 R HN 0.629 nan 8.270 nan 0.000 0.428 119 R N 2.060 122.607 120.500 0.077 0.000 2.453 119 R HA 0.253 4.593 4.340 0.000 0.000 0.233 119 R C 0.214 176.526 176.300 0.019 0.000 0.895 119 R CA 0.502 56.623 56.100 0.035 0.000 1.028 119 R CB 1.647 31.961 30.300 0.023 0.000 1.255 119 R HN 0.835 nan 8.270 nan 0.000 0.571 120 G N -0.400 108.413 108.800 0.021 0.000 2.489 120 G HA2 0.108 4.068 3.960 0.000 0.000 0.305 120 G HA3 0.108 4.068 3.960 0.000 0.000 0.305 120 G C -0.532 174.353 174.900 -0.024 0.000 1.311 120 G CA -0.488 44.605 45.100 -0.012 0.000 0.813 120 G HN -0.207 nan 8.290 nan 0.000 0.480 121 D N 0.012 120.376 120.400 -0.059 0.000 2.158 121 D HA -0.130 4.510 4.640 0.000 0.000 0.197 121 D C 2.201 178.365 176.300 -0.227 0.000 0.995 121 D CA 2.271 56.232 54.000 -0.065 0.000 0.846 121 D CB 0.049 40.804 40.800 -0.075 0.000 0.941 121 D HN 0.486 nan 8.370 nan 0.000 0.456 122 S N -1.466 113.948 115.700 -0.477 0.000 2.900 122 S HA 0.285 4.755 4.470 0.000 0.000 0.253 122 S C 0.479 174.379 174.600 -1.166 0.000 1.029 122 S CA -0.670 56.902 58.200 -1.047 0.000 1.096 122 S CB 1.332 64.215 63.200 -0.529 0.000 1.067 122 S HN -0.109 nan 8.310 nan 0.000 0.610 123 R N 0.678 120.802 120.500 -0.626 0.000 2.744 123 R HA 0.809 5.149 4.340 0.000 0.000 0.279 123 R C -0.490 175.894 176.300 0.140 0.000 0.977 123 R CA -0.183 55.804 56.100 -0.188 0.000 0.906 123 R CB 1.818 32.059 30.300 -0.099 0.000 1.197 123 R HN 0.362 nan 8.270 nan 0.000 0.463 124 G N 0.077 109.015 108.800 0.230 0.000 2.733 124 G HA2 0.381 4.341 3.960 0.000 0.000 0.297 124 G HA3 0.381 4.341 3.960 0.000 0.000 0.297 124 G C -1.118 173.840 174.900 0.097 0.000 1.422 124 G CA -0.483 44.732 45.100 0.192 0.000 0.942 124 G HN 0.481 nan 8.290 nan 0.000 0.510 125 S N 0.881 116.607 115.700 0.042 0.000 2.525 125 S HA 0.628 5.098 4.470 0.000 0.000 0.278 125 S C 0.091 174.684 174.600 -0.012 0.000 1.234 125 S CA -0.732 57.477 58.200 0.014 0.000 1.058 125 S CB 1.428 64.628 63.200 0.001 0.000 0.983 125 S HN 0.542 nan 8.310 nan 0.000 0.495 126 L N 3.216 124.430 121.223 -0.015 0.000 2.367 126 L HA 0.153 4.493 4.340 0.000 0.000 0.275 126 L C 0.996 177.840 176.870 -0.044 0.000 1.129 126 L CA -0.711 54.106 54.840 -0.038 0.000 0.839 126 L CB 0.325 42.362 42.059 -0.037 0.000 1.133 126 L HN 0.667 nan 8.230 nan 0.000 0.453 127 L N 1.923 123.113 121.223 -0.055 0.000 2.083 127 L HA -0.107 4.233 4.340 0.000 0.000 0.209 127 L C 0.886 177.728 176.870 -0.045 0.000 1.083 127 L CA 1.454 56.265 54.840 -0.047 0.000 0.752 127 L CB -0.303 41.728 42.059 -0.048 0.000 0.899 127 L HN 0.546 nan 8.230 nan 0.000 0.433 128 S N -0.378 115.288 115.700 -0.057 0.000 2.667 128 S HA 0.420 4.890 4.470 0.000 0.000 0.304 128 S C -2.367 172.180 174.600 -0.087 0.000 1.135 128 S CA -1.204 56.954 58.200 -0.069 0.000 1.125 128 S CB 1.209 64.361 63.200 -0.080 0.000 0.996 128 S HN -0.095 nan 8.310 nan 0.000 0.474 129 P HA 0.171 nan 4.420 nan 0.000 0.265 129 P C -0.302 176.939 177.300 -0.099 0.000 1.187 129 P CA 0.118 63.178 63.100 -0.066 0.000 0.766 129 P CB 0.474 32.147 31.700 -0.046 0.000 0.820 130 R N 3.056 123.499 120.500 -0.095 0.000 2.698 130 R HA 0.444 4.784 4.340 0.000 0.000 0.275 130 R C -2.657 173.627 176.300 -0.028 0.000 1.001 130 R CA -2.268 53.751 56.100 -0.134 0.000 0.896 130 R CB 1.385 31.483 30.300 -0.336 0.000 1.218 130 R HN 0.247 nan 8.270 nan 0.000 0.462 131 P HA -0.126 nan 4.420 nan 0.000 0.264 131 P C 0.709 178.079 177.300 0.116 0.000 1.179 131 P CA 0.194 63.327 63.100 0.055 0.000 0.763 131 P CB 0.647 32.388 31.700 0.067 0.000 0.806 132 V N 3.207 123.186 119.914 0.108 0.000 2.594 132 V HA -0.232 3.888 4.120 0.000 0.000 0.253 132 V C 2.040 178.238 176.094 0.174 0.000 1.069 132 V CA 2.640 65.025 62.300 0.142 0.000 1.082 132 V CB -1.134 30.757 31.823 0.114 0.000 0.680 132 V HN 0.742 nan 8.190 nan 0.000 0.469 133 S N -0.802 114.992 115.700 0.156 0.000 2.419 133 S HA -0.332 4.138 4.470 0.000 0.000 0.235 133 S C 1.949 176.674 174.600 0.207 0.000 1.019 133 S CA 1.934 60.229 58.200 0.158 0.000 0.982 133 S CB -0.985 62.292 63.200 0.128 0.000 0.789 133 S HN 0.794 nan 8.310 nan 0.000 0.490 134 Y N 1.815 122.176 120.300 0.102 0.000 2.333 134 Y HA 0.143 4.694 4.550 0.000 0.000 0.290 134 Y C 1.775 177.763 175.900 0.147 0.000 1.144 134 Y CA 1.316 59.487 58.100 0.119 0.000 1.228 134 Y CB -0.106 38.399 38.460 0.074 0.000 0.985 134 Y HN 0.257 nan 8.280 nan 0.000 0.542 135 L N 0.096 121.461 121.223 0.236 0.000 2.585 135 L HA 0.060 4.400 4.340 0.000 0.000 0.226 135 L C 0.386 177.389 176.870 0.222 0.000 1.113 135 L CA -0.148 54.807 54.840 0.192 0.000 0.876 135 L CB -0.161 42.066 42.059 0.280 0.000 1.072 135 L HN -0.154 nan 8.230 nan 0.000 0.468 136 K N 1.245 121.751 120.400 0.178 0.000 2.451 136 K HA 0.204 4.524 4.320 0.000 0.000 0.280 136 K C 1.151 177.824 176.600 0.123 0.000 1.020 136 K CA 0.711 57.093 56.287 0.160 0.000 1.008 136 K CB 0.225 32.807 32.500 0.135 0.000 0.917 136 K HN 0.245 nan 8.250 nan 0.000 0.478 137 G N 1.696 110.586 108.800 0.150 0.000 2.159 137 G HA2 -0.287 3.673 3.960 0.000 0.000 0.256 137 G HA3 -0.287 3.673 3.960 0.000 0.000 0.256 137 G C 0.759 175.744 174.900 0.142 0.000 0.977 137 G CA 0.566 45.752 45.100 0.144 0.000 0.652 137 G HN 0.478 nan 8.290 nan 0.000 0.531 138 S N 0.105 115.929 115.700 0.207 0.000 2.556 138 S HA 0.370 4.840 4.470 0.000 0.000 0.216 138 S C 1.265 176.140 174.600 0.458 0.000 0.970 138 S CA 0.485 58.843 58.200 0.263 0.000 0.912 138 S CB 0.346 63.660 63.200 0.190 0.000 0.790 138 S HN 0.564 nan 8.310 nan 0.000 0.504 139 S N 1.128 117.017 115.700 0.315 0.000 2.558 139 S HA 0.355 4.825 4.470 0.000 0.000 0.293 139 S C 1.416 176.141 174.600 0.208 0.000 1.292 139 S CA 0.849 59.108 58.200 0.099 0.000 1.063 139 S CB 0.487 63.651 63.200 -0.059 0.000 0.831 139 S HN 0.726 nan 8.310 nan 0.000 0.499 140 G N 2.286 111.192 108.800 0.176 0.000 2.195 140 G HA2 -0.172 3.788 3.960 0.000 0.000 0.246 140 G HA3 -0.172 3.788 3.960 0.000 0.000 0.246 140 G C 0.377 175.414 174.900 0.228 0.000 0.984 140 G CA -0.171 45.062 45.100 0.222 0.000 0.633 140 G HN 1.116 nan 8.290 nan 0.000 0.525 141 G N 0.780 109.735 108.800 0.258 0.000 2.539 141 G HA2 0.604 4.564 3.960 0.000 0.000 0.258 141 G HA3 0.604 4.564 3.960 0.000 0.000 0.258 141 G C -1.967 173.033 174.900 0.168 0.000 1.202 141 G CA -0.369 44.846 45.100 0.191 0.000 0.851 141 G HN 0.303 nan 8.290 nan 0.000 0.556 142 P HA 0.267 nan 4.420 nan 0.000 0.282 142 P C -0.633 176.663 177.300 -0.006 0.000 1.249 142 P CA -0.542 62.587 63.100 0.048 0.000 0.806 142 P CB 1.730 33.450 31.700 0.033 0.000 0.984 143 L N 3.685 124.857 121.223 -0.085 0.000 2.264 143 L HA 0.429 4.769 4.340 0.000 0.000 0.289 143 L C 0.483 177.282 176.870 -0.119 0.000 1.044 143 L CA -0.381 54.350 54.840 -0.181 0.000 0.807 143 L CB 0.500 42.269 42.059 -0.483 0.000 1.192 143 L HN 0.345 nan 8.230 nan 0.000 0.425 144 L N 3.049 124.252 121.223 -0.032 0.000 2.330 144 L HA 0.562 4.903 4.340 0.000 0.000 0.271 144 L C 0.453 177.375 176.870 0.086 0.000 1.013 144 L CA -0.764 54.091 54.840 0.026 0.000 0.816 144 L CB 2.136 44.220 42.059 0.043 0.000 1.287 144 L HN 0.694 nan 8.230 nan 0.000 0.435 145 C N -0.244 119.108 119.300 0.086 0.000 2.396 145 C HA 0.453 4.914 4.460 0.000 0.000 0.359 145 C C -1.271 173.822 174.990 0.172 0.000 1.307 145 C CA -1.302 57.789 59.018 0.122 0.000 2.392 145 C CB 0.803 28.599 27.740 0.093 0.000 2.245 145 C HN 0.656 nan 8.230 nan 0.000 0.615 146 P HA -0.019 nan 4.420 nan 0.000 0.225 146 P C 1.251 178.559 177.300 0.012 0.000 1.148 146 P CA 1.384 64.557 63.100 0.122 0.000 0.779 146 P CB -0.093 31.692 31.700 0.141 0.000 0.780 147 S N -1.635 114.092 115.700 0.044 0.000 2.593 147 S HA 0.299 4.769 4.470 0.000 0.000 0.217 147 S C 1.559 176.088 174.600 -0.119 0.000 0.966 147 S CA 0.559 58.769 58.200 0.017 0.000 0.914 147 S CB -0.639 62.649 63.200 0.148 0.000 0.776 147 S HN 0.324 nan 8.310 nan 0.000 0.523 148 G N 1.762 110.495 108.800 -0.113 0.000 2.143 148 G HA2 -0.211 3.749 3.960 0.000 0.000 0.249 148 G HA3 -0.211 3.749 3.960 0.000 0.000 0.249 148 G C -0.106 174.631 174.900 -0.272 0.000 0.981 148 G CA -0.166 44.820 45.100 -0.190 0.000 0.665 148 G HN 0.553 nan 8.290 nan 0.000 0.528 149 H N 0.122 119.196 119.070 0.006 0.000 2.488 149 H HA 0.636 5.193 4.556 0.000 0.000 0.347 149 H C 0.781 176.107 175.328 -0.004 0.000 1.174 149 H CA 0.167 56.218 56.048 0.005 0.000 1.307 149 H CB 1.526 31.291 29.762 0.006 0.000 1.517 149 H HN 0.478 nan 8.280 nan 0.000 0.554 150 A N 1.802 124.702 122.820 0.133 0.000 2.409 150 A HA 0.265 4.585 4.320 0.000 0.000 0.267 150 A C 0.899 178.490 177.584 0.012 0.000 1.127 150 A CA -0.384 51.681 52.037 0.046 0.000 0.795 150 A CB 0.137 19.162 19.000 0.041 0.000 1.061 150 A HN 0.520 nan 8.150 nan 0.000 0.502 151 V N 2.309 122.194 119.914 -0.049 0.000 3.379 151 V HA 0.448 4.568 4.120 0.000 0.000 0.249 151 V C 1.248 177.284 176.094 -0.097 0.000 1.184 151 V CA 1.267 63.518 62.300 -0.082 0.000 1.106 151 V CB -0.261 31.471 31.823 -0.152 0.000 0.826 151 V HN 1.336 nan 8.190 nan 0.000 0.465 152 G N -0.279 108.439 108.800 -0.137 0.000 2.321 152 G HA2 0.415 4.375 3.960 0.000 0.000 0.296 152 G HA3 0.415 4.375 3.960 0.000 0.000 0.296 152 G C -2.110 172.783 174.900 -0.013 0.000 1.287 152 G CA -0.599 44.483 45.100 -0.031 0.000 0.846 152 G HN -0.150 nan 8.290 nan 0.000 0.508 153 I N 0.940 121.571 120.570 0.103 0.000 2.418 153 I HA 0.353 4.523 4.170 0.000 0.000 0.287 153 I C -0.438 175.836 176.117 0.261 0.000 1.008 153 I CA -0.788 60.594 61.300 0.138 0.000 1.104 153 I CB 1.254 39.300 38.000 0.076 0.000 1.264 153 I HN 0.490 nan 8.210 nan 0.000 0.438 154 F N 7.717 127.741 119.950 0.124 0.000 2.578 154 F HA 0.111 4.638 4.527 0.000 0.000 0.381 154 F C 1.343 177.236 175.800 0.155 0.000 1.069 154 F CA 0.162 58.258 58.000 0.160 0.000 1.231 154 F CB 0.426 39.495 39.000 0.114 0.000 1.086 154 F HN 0.631 nan 8.300 nan 0.000 0.564 155 R N 3.689 123.941 120.500 -0.414 0.000 2.492 155 R HA 0.733 5.073 4.340 0.000 0.000 0.219 155 R C -0.664 175.336 176.300 -0.499 0.000 0.886 155 R CA 0.291 56.161 56.100 -0.382 0.000 1.003 155 R CB 0.328 30.582 30.300 -0.077 0.000 1.345 155 R HN 0.568 nan 8.270 nan 0.000 0.631 156 A N 0.742 123.237 122.820 -0.542 0.000 2.612 156 A HA 0.786 5.106 4.320 0.000 0.000 0.293 156 A C -1.712 175.922 177.584 0.084 0.000 1.075 156 A CA -0.511 51.374 52.037 -0.253 0.000 0.680 156 A CB 1.493 20.414 19.000 -0.132 0.000 1.279 156 A HN 0.315 nan 8.150 nan 0.000 0.411 157 A N 0.348 123.264 122.820 0.159 0.000 2.317 157 A HA 0.674 4.994 4.320 0.000 0.000 0.327 157 A C -0.617 177.037 177.584 0.118 0.000 1.178 157 A CA -0.456 51.726 52.037 0.242 0.000 0.817 157 A CB 0.861 20.020 19.000 0.264 0.000 1.189 157 A HN 1.439 nan 8.150 nan 0.000 0.489 158 V N 1.844 121.815 119.914 0.095 0.000 2.383 158 V HA 0.329 4.449 4.120 0.000 0.000 0.275 158 V C -0.127 175.971 176.094 0.007 0.000 1.036 158 V CA -0.425 61.894 62.300 0.032 0.000 0.889 158 V CB 0.317 32.152 31.823 0.020 0.000 0.985 158 V HN 0.965 nan 8.190 nan 0.000 0.459 159 C N 3.195 122.473 119.300 -0.037 0.000 2.493 159 C HA 0.692 5.152 4.460 0.000 0.000 0.326 159 C C 0.605 175.529 174.990 -0.109 0.000 1.200 159 C CA -0.520 58.466 59.018 -0.053 0.000 1.739 159 C CB 1.782 29.498 27.740 -0.039 0.000 2.300 159 C HN 0.832 nan 8.230 nan 0.000 0.500 160 T N 2.403 116.905 114.554 -0.087 0.000 2.842 160 T HA 0.380 4.730 4.350 0.000 0.000 0.308 160 T C 0.095 174.740 174.700 -0.091 0.000 1.041 160 T CA -0.353 61.683 62.100 -0.106 0.000 0.964 160 T CB 0.201 69.023 68.868 -0.076 0.000 0.972 160 T HN 0.735 nan 8.240 nan 0.000 0.460 161 R N 2.179 122.605 120.500 -0.123 0.000 3.264 161 R HA -0.230 4.110 4.340 0.000 0.000 0.251 161 R C 1.252 177.528 176.300 -0.040 0.000 0.971 161 R CA 0.708 56.759 56.100 -0.083 0.000 0.658 161 R CB -1.901 28.363 30.300 -0.058 0.000 1.095 161 R HN 1.213 nan 8.270 nan 0.000 0.443 162 G N -1.695 107.084 108.800 -0.035 0.000 2.179 162 G HA2 -0.334 3.626 3.960 0.000 0.000 0.260 162 G HA3 -0.334 3.626 3.960 0.000 0.000 0.260 162 G C 0.162 175.069 174.900 0.013 0.000 0.977 162 G CA 0.120 45.224 45.100 0.008 0.000 0.641 162 G HN 0.322 nan 8.290 nan 0.000 0.533 163 V N 1.504 121.413 119.914 -0.007 0.000 2.350 163 V HA 0.729 4.849 4.120 0.000 0.000 0.276 163 V C 0.826 176.919 176.094 -0.001 0.000 1.028 163 V CA -0.388 61.910 62.300 -0.003 0.000 0.860 163 V CB 1.300 33.112 31.823 -0.018 0.000 0.990 163 V HN 1.063 nan 8.190 nan 0.000 0.453 164 A N 5.159 127.992 122.820 0.022 0.000 2.451 164 A HA 0.365 4.685 4.320 0.000 0.000 0.266 164 A C 1.074 178.664 177.584 0.010 0.000 1.119 164 A CA -0.151 51.907 52.037 0.035 0.000 0.786 164 A CB 0.100 19.148 19.000 0.080 0.000 1.061 164 A HN 1.012 nan 8.150 nan 0.000 0.503 165 K N 1.804 122.208 120.400 0.007 0.000 2.391 165 K HA 0.560 4.880 4.320 0.000 0.000 0.197 165 K C 0.308 176.913 176.600 0.009 0.000 1.087 165 K CA 0.761 57.045 56.287 -0.005 0.000 1.012 165 K CB 0.458 32.948 32.500 -0.016 0.000 0.925 165 K HN 0.786 nan 8.250 nan 0.000 0.547 166 A N 0.950 123.790 122.820 0.034 0.000 2.602 166 A HA 0.584 4.904 4.320 0.000 0.000 0.290 166 A C -1.301 176.353 177.584 0.116 0.000 1.114 166 A CA -0.521 51.550 52.037 0.057 0.000 0.683 166 A CB 1.731 20.756 19.000 0.042 0.000 1.281 166 A HN 0.207 nan 8.150 nan 0.000 0.416 167 V N -1.362 118.652 119.914 0.167 0.000 2.823 167 V HA 0.813 4.934 4.120 0.000 0.000 0.312 167 V C -0.977 175.297 176.094 0.301 0.000 1.072 167 V CA -0.655 61.831 62.300 0.309 0.000 0.937 167 V CB 1.699 33.717 31.823 0.326 0.000 1.013 167 V HN 0.918 nan 8.190 nan 0.000 0.430 168 D N 2.426 123.000 120.400 0.290 0.000 2.278 168 D HA 0.752 5.392 4.640 0.000 0.000 0.245 168 D C -0.881 175.537 176.300 0.195 0.000 1.052 168 D CA -0.296 53.757 54.000 0.088 0.000 0.834 168 D CB 1.562 42.359 40.800 -0.005 0.000 1.194 168 D HN 0.696 nan 8.370 nan 0.000 0.481 169 F N 1.126 121.124 119.950 0.080 0.000 2.613 169 F HA 0.604 5.131 4.527 0.000 0.000 0.310 169 F C -1.425 174.379 175.800 0.006 0.000 1.085 169 F CA -1.374 56.670 58.000 0.073 0.000 0.945 169 F CB 0.660 39.734 39.000 0.123 0.000 1.298 169 F HN 0.020 nan 8.300 nan 0.000 0.455 170 V N 3.726 123.753 119.914 0.188 0.000 2.455 170 V HA 0.320 4.440 4.120 0.000 0.000 0.273 170 V C -1.946 174.232 176.094 0.140 0.000 1.045 170 V CA -1.500 60.830 62.300 0.049 0.000 0.976 170 V CB 0.456 32.263 31.823 -0.028 0.000 0.993 170 V HN 0.611 nan 8.190 nan 0.000 0.475 171 P HA 0.088 nan 4.420 nan 0.000 0.274 171 P C 0.955 178.246 177.300 -0.016 0.000 1.231 171 P CA -0.002 63.187 63.100 0.148 0.000 0.790 171 P CB 1.450 33.195 31.700 0.074 0.000 0.951 172 V N 2.162 122.063 119.914 -0.022 0.000 2.490 172 V HA -0.225 3.896 4.120 0.000 0.000 0.250 172 V C 2.148 178.161 176.094 -0.134 0.000 1.061 172 V CA 2.131 64.360 62.300 -0.119 0.000 1.064 172 V CB -1.030 30.749 31.823 -0.073 0.000 0.670 172 V HN 0.581 nan 8.190 nan 0.000 0.461 173 E N -0.404 119.749 120.200 -0.079 0.000 2.204 173 E HA -0.155 4.196 4.350 0.000 0.000 0.194 173 E C 2.199 178.731 176.600 -0.113 0.000 0.989 173 E CA 1.435 57.787 56.400 -0.079 0.000 0.824 173 E CB -0.743 28.929 29.700 -0.046 0.000 0.756 173 E HN 0.610 nan 8.360 nan 0.000 0.477 174 S N 1.120 116.738 115.700 -0.137 0.000 2.383 174 S HA -0.061 4.409 4.470 0.000 0.000 0.227 174 S C 2.028 176.471 174.600 -0.262 0.000 1.026 174 S CA 1.401 59.499 58.200 -0.169 0.000 0.981 174 S CB -0.225 62.879 63.200 -0.159 0.000 0.818 174 S HN 0.219 nan 8.310 nan 0.000 0.472 175 M N 1.138 120.501 119.600 -0.395 0.000 2.132 175 M HA -0.101 4.379 4.480 0.000 0.000 0.263 175 M C 2.150 178.268 176.300 -0.304 0.000 1.065 175 M CA 1.314 56.233 55.300 -0.636 0.000 1.122 175 M CB -0.433 31.532 32.600 -1.058 0.000 1.365 175 M HN 0.248 nan 8.290 nan 0.000 0.411 176 E N -0.393 119.694 120.200 -0.188 0.000 2.077 176 E HA -0.157 4.193 4.350 0.000 0.000 0.193 176 E C 1.988 178.541 176.600 -0.077 0.000 0.989 176 E CA 1.721 58.071 56.400 -0.083 0.000 0.800 176 E CB -0.148 29.517 29.700 -0.058 0.000 0.746 176 E HN 0.480 nan 8.360 nan 0.000 0.452 177 T N 0.346 114.841 114.554 -0.099 0.000 2.708 177 T HA -0.146 4.204 4.350 0.000 0.000 0.266 177 T C 2.017 176.659 174.700 -0.097 0.000 1.037 177 T CA 1.675 63.727 62.100 -0.080 0.000 1.146 177 T CB -0.468 68.353 68.868 -0.078 0.000 0.865 177 T HN 0.176 nan 8.240 nan 0.000 0.435 178 T N 2.326 116.784 114.554 -0.160 0.000 2.665 178 T HA -0.091 4.260 4.350 0.000 0.000 0.268 178 T C 1.973 176.497 174.700 -0.294 0.000 1.035 178 T CA 1.338 63.295 62.100 -0.239 0.000 1.151 178 T CB -0.396 68.277 68.868 -0.325 0.000 0.862 178 T HN 0.346 nan 8.240 nan 0.000 0.438 179 M N 0.203 119.672 119.600 -0.219 0.000 2.374 179 M HA 0.030 4.510 4.480 0.000 0.000 0.264 179 M C 2.149 178.476 176.300 0.045 0.000 1.067 179 M CA 1.177 56.436 55.300 -0.068 0.000 1.103 179 M CB -0.185 32.455 32.600 0.066 0.000 1.402 179 M HN 0.066 nan 8.290 nan 0.000 0.444 180 R N -0.572 119.934 120.500 0.009 0.000 2.297 180 R HA 0.136 4.477 4.340 0.000 0.000 0.197 180 R C 0.159 176.483 176.300 0.040 0.000 0.943 180 R CA 0.039 56.157 56.100 0.029 0.000 1.038 180 R CB 0.238 30.543 30.300 0.009 0.000 0.957 180 R HN 0.176 nan 8.270 nan 0.000 0.484 181 S N 0.766 116.492 115.700 0.043 0.000 2.718 181 S HA 0.433 4.903 4.470 0.000 0.000 0.300 181 S C -2.393 172.265 174.600 0.098 0.000 1.117 181 S CA -1.332 56.898 58.200 0.051 0.000 1.002 181 S CB 1.652 64.864 63.200 0.020 0.000 1.092 181 S HN -0.100 nan 8.310 nan 0.000 0.542 182 P HA 0.165 nan 4.420 nan 0.000 0.269 182 P C 0.321 177.665 177.300 0.072 0.000 1.209 182 P CA -0.216 62.940 63.100 0.093 0.000 0.776 182 P CB 0.395 32.146 31.700 0.085 0.000 0.876 183 V N 0.881 120.790 119.914 -0.007 0.000 2.725 183 V HA 0.040 4.161 4.120 0.000 0.000 0.247 183 V C 0.468 176.257 176.094 -0.510 0.000 1.058 183 V CA 1.178 63.292 62.300 -0.310 0.000 1.080 183 V CB -0.595 30.882 31.823 -0.576 0.000 0.713 183 V HN 0.386 nan 8.190 nan 0.000 0.465 184 F N 0.657 120.609 119.950 0.004 0.000 2.458 184 F HA 0.607 5.134 4.527 0.000 0.000 0.336 184 F C 0.398 176.201 175.800 0.004 0.000 1.114 184 F CA -0.578 57.420 58.000 -0.003 0.000 0.987 184 F CB 1.689 40.682 39.000 -0.011 0.000 1.130 184 F HN -0.070 nan 8.300 nan 0.000 0.458 185 T N -1.306 113.341 114.554 0.156 0.000 2.896 185 T HA 0.553 4.903 4.350 0.000 0.000 0.297 185 T C -1.763 172.987 174.700 0.084 0.000 1.108 185 T CA -0.828 61.328 62.100 0.093 0.000 1.004 185 T CB 2.464 71.358 68.868 0.043 0.000 1.159 185 T HN 0.457 nan 8.240 nan 0.000 0.499 186 D N 0.278 120.707 120.400 0.048 0.000 2.757 186 D HA 0.371 5.012 4.640 0.000 0.000 0.249 186 D C -0.636 175.663 176.300 -0.001 0.000 1.168 186 D CA -0.563 53.457 54.000 0.035 0.000 0.870 186 D CB 1.501 42.316 40.800 0.024 0.000 1.411 186 D HN 0.553 nan 8.370 nan 0.000 0.525 187 N N 1.497 120.189 118.700 -0.013 0.000 2.365 187 N HA 0.001 4.741 4.740 0.000 0.000 0.257 187 N C 0.844 176.317 175.510 -0.062 0.000 1.287 187 N CA 0.043 53.035 53.050 -0.096 0.000 0.882 187 N CB 0.931 39.233 38.487 -0.308 0.000 1.250 187 N HN 0.336 nan 8.380 nan 0.000 0.507 188 S N -1.248 114.445 115.700 -0.012 0.000 2.496 188 S HA 0.141 4.611 4.470 0.000 0.000 0.224 188 S C 0.942 175.530 174.600 -0.019 0.000 0.996 188 S CA -0.012 58.189 58.200 0.001 0.000 0.927 188 S CB 0.245 63.450 63.200 0.009 0.000 0.774 188 S HN -0.055 nan 8.310 nan 0.000 0.524 189 S N 4.078 119.760 115.700 -0.029 0.000 2.525 189 S HA 0.476 4.946 4.470 0.000 0.000 0.278 189 S C -2.580 171.994 174.600 -0.043 0.000 1.234 189 S CA -1.175 57.002 58.200 -0.037 0.000 1.058 189 S CB 0.825 64.005 63.200 -0.032 0.000 0.983 189 S HN 0.325 nan 8.310 nan 0.000 0.495 190 P HA 0.154 nan 4.420 nan 0.000 0.262 190 P C -2.594 174.705 177.300 -0.001 0.000 1.182 190 P CA -0.919 62.149 63.100 -0.054 0.000 0.761 190 P CB -0.849 30.743 31.700 -0.181 0.000 0.795 191 P HA 0.118 nan 4.420 nan 0.000 0.269 191 P C -0.118 177.222 177.300 0.066 0.000 1.209 191 P CA 0.082 63.191 63.100 0.014 0.000 0.776 191 P CB 0.381 32.057 31.700 -0.040 0.000 0.876 192 A N 2.610 125.437 122.820 0.012 0.000 2.351 192 A HA 0.300 4.620 4.320 0.000 0.000 0.257 192 A C -0.140 177.403 177.584 -0.067 0.000 1.087 192 A CA -0.436 51.611 52.037 0.017 0.000 0.798 192 A CB 0.128 19.130 19.000 0.003 0.000 1.033 192 A HN 0.387 nan 8.150 nan 0.000 0.488 193 V N 4.649 124.491 119.914 -0.119 0.000 2.427 193 V HA 0.246 4.366 4.120 0.000 0.000 0.268 193 V C -1.430 174.576 176.094 -0.146 0.000 1.046 193 V CA -0.806 61.328 62.300 -0.276 0.000 0.970 193 V CB 0.283 31.748 31.823 -0.597 0.000 1.001 193 V HN 0.912 nan 8.190 nan 0.000 0.476 194 P HA 0.235 nan 4.420 nan 0.000 0.277 194 P C 0.434 177.704 177.300 -0.050 0.000 1.271 194 P CA -0.465 62.585 63.100 -0.084 0.000 0.795 194 P CB 1.353 32.989 31.700 -0.105 0.000 1.101 195 Q N -0.333 119.456 119.800 -0.018 0.000 2.046 195 Q HA -0.026 4.314 4.340 0.000 0.000 0.200 195 Q C 0.818 176.826 176.000 0.014 0.000 0.975 195 Q CA 1.203 57.010 55.803 0.007 0.000 0.836 195 Q CB 0.020 28.765 28.738 0.012 0.000 0.896 195 Q HN 0.661 nan 8.270 nan 0.000 0.428 196 S N -1.539 114.169 115.700 0.012 0.000 2.648 196 S HA 0.340 4.810 4.470 0.000 0.000 0.305 196 S C -0.459 174.175 174.600 0.057 0.000 1.094 196 S CA -0.993 57.236 58.200 0.049 0.000 0.983 196 S CB 0.918 64.151 63.200 0.055 0.000 1.101 196 S HN 0.224 nan 8.310 nan 0.000 0.514 197 F N 1.945 121.868 119.950 -0.045 0.000 2.604 197 F HA 0.169 4.696 4.527 0.000 0.000 0.393 197 F C 0.497 176.260 175.800 -0.062 0.000 1.043 197 F CA 1.030 58.996 58.000 -0.057 0.000 1.227 197 F CB 0.172 39.145 39.000 -0.045 0.000 1.016 197 F HN 0.757 nan 8.300 nan 0.000 0.556 198 Q N 4.680 123.983 119.800 -0.829 0.000 2.416 198 Q HA 0.540 4.880 4.340 0.000 0.000 0.281 198 Q C -1.876 173.591 176.000 -0.889 0.000 1.067 198 Q CA -1.016 54.382 55.803 -0.675 0.000 0.809 198 Q CB 2.435 30.972 28.738 -0.335 0.000 1.418 198 Q HN 0.502 nan 8.270 nan 0.000 0.411 199 V N 1.750 121.314 119.914 -0.583 0.000 2.427 199 V HA 0.797 4.918 4.120 0.000 0.000 0.286 199 V C -0.285 175.605 176.094 -0.340 0.000 1.034 199 V CA -0.273 61.762 62.300 -0.441 0.000 0.893 199 V CB 0.974 32.625 31.823 -0.287 0.000 0.982 199 V HN 0.806 nan 8.190 nan 0.000 0.452 200 A N 4.084 126.690 122.820 -0.357 0.000 2.423 200 A HA 0.816 5.136 4.320 0.000 0.000 0.304 200 A C -0.857 176.495 177.584 -0.386 0.000 1.104 200 A CA -0.670 51.199 52.037 -0.279 0.000 0.757 200 A CB 1.417 20.297 19.000 -0.199 0.000 1.313 200 A HN 0.856 nan 8.150 nan 0.000 0.423 201 H N 0.379 119.339 119.070 -0.184 0.000 2.469 201 H HA 0.506 5.062 4.556 0.000 0.000 0.342 201 H C -1.485 173.667 175.328 -0.293 0.000 1.115 201 H CA -0.449 55.454 56.048 -0.243 0.000 1.204 201 H CB 1.980 31.522 29.762 -0.366 0.000 1.492 201 H HN 0.431 nan 8.280 nan 0.000 0.499 202 L N 4.340 125.505 121.223 -0.097 0.000 2.318 202 L HA 0.241 4.581 4.340 0.000 0.000 0.277 202 L C -0.879 176.030 176.870 0.065 0.000 1.008 202 L CA -0.364 54.438 54.840 -0.065 0.000 0.846 202 L CB 0.227 42.278 42.059 -0.014 0.000 1.220 202 L HN 0.593 nan 8.230 nan 0.000 0.423 203 H N 4.948 124.038 119.070 0.034 0.000 2.623 203 H HA 0.822 5.379 4.556 0.000 0.000 0.299 203 H C -0.453 174.876 175.328 0.002 0.000 1.052 203 H CA -0.570 55.490 56.048 0.019 0.000 1.231 203 H CB 1.206 30.973 29.762 0.008 0.000 1.389 203 H HN 0.803 nan 8.280 nan 0.000 0.469 204 A N 4.550 127.440 122.820 0.117 0.000 2.574 204 A HA 0.472 4.792 4.320 0.000 0.000 0.297 204 A C -2.947 174.653 177.584 0.028 0.000 1.062 204 A CA -1.853 50.214 52.037 0.050 0.000 0.686 204 A CB 1.314 20.328 19.000 0.023 0.000 1.285 204 A HN 0.347 nan 8.150 nan 0.000 0.403 205 P HA 0.190 nan 4.420 nan 0.000 0.267 205 P C 0.070 177.372 177.300 0.003 0.000 1.200 205 P CA 0.395 63.492 63.100 -0.005 0.000 0.772 205 P CB 0.285 31.972 31.700 -0.022 0.000 0.855 206 T N 2.228 116.788 114.554 0.010 0.000 2.905 206 T HA 0.277 4.627 4.350 0.000 0.000 0.299 206 T C 1.422 176.135 174.700 0.021 0.000 1.024 206 T CA 1.589 63.704 62.100 0.025 0.000 1.151 206 T CB -0.521 68.372 68.868 0.042 0.000 0.987 206 T HN 0.839 nan 8.240 nan 0.000 0.535 207 G N 2.244 111.052 108.800 0.014 0.000 2.176 207 G HA2 -0.324 3.636 3.960 0.000 0.000 0.253 207 G HA3 -0.324 3.636 3.960 0.000 0.000 0.253 207 G C 1.014 175.910 174.900 -0.007 0.000 0.979 207 G CA 0.554 45.657 45.100 0.004 0.000 0.641 207 G HN 1.049 nan 8.290 nan 0.000 0.530 208 S N -0.351 115.342 115.700 -0.012 0.000 2.593 208 S HA 0.436 4.906 4.470 0.000 0.000 0.217 208 S C 2.006 176.590 174.600 -0.026 0.000 0.966 208 S CA 1.256 59.446 58.200 -0.016 0.000 0.914 208 S CB 0.353 63.544 63.200 -0.015 0.000 0.776 208 S HN 2.340 nan 8.310 nan 0.000 0.523 209 G N 1.618 110.393 108.800 -0.040 0.000 2.131 209 G HA2 -0.250 3.710 3.960 0.000 0.000 0.223 209 G HA3 -0.250 3.710 3.960 0.000 0.000 0.223 209 G C 0.666 175.512 174.900 -0.089 0.000 0.990 209 G CA 0.251 45.315 45.100 -0.059 0.000 0.671 209 G HN 0.505 nan 8.290 nan 0.000 0.521 210 K N 0.282 120.632 120.400 -0.083 0.000 2.113 210 K HA -0.064 4.257 4.320 0.000 0.000 0.208 210 K C 2.351 178.860 176.600 -0.152 0.000 1.047 210 K CA 1.740 57.973 56.287 -0.090 0.000 0.928 210 K CB -0.166 32.306 32.500 -0.047 0.000 0.716 210 K HN 0.369 nan 8.250 nan 0.000 0.446 211 S N -0.355 115.194 115.700 -0.251 0.000 2.503 211 S HA -0.015 4.455 4.470 0.000 0.000 0.217 211 S C 1.687 176.036 174.600 -0.418 0.000 0.999 211 S CA 1.102 59.001 58.200 -0.501 0.000 0.914 211 S CB 0.341 62.910 63.200 -1.052 0.000 0.782 211 S HN 0.513 nan 8.310 nan 0.000 0.520 212 T N -0.046 114.366 114.554 -0.235 0.000 3.361 212 T HA 0.279 4.630 4.350 0.000 0.000 0.241 212 T C 1.585 176.284 174.700 -0.001 0.000 0.998 212 T CA -0.038 62.029 62.100 -0.055 0.000 1.215 212 T CB -0.345 68.460 68.868 -0.106 0.000 1.196 212 T HN 0.080 nan 8.240 nan 0.000 0.376 213 K N 1.007 121.410 120.400 0.005 0.000 2.063 213 K HA -0.055 4.265 4.320 0.000 0.000 0.208 213 K C 2.223 178.743 176.600 -0.132 0.000 1.048 213 K CA 1.499 57.780 56.287 -0.009 0.000 0.928 213 K CB -0.515 32.001 32.500 0.026 0.000 0.713 213 K HN 0.233 nan 8.250 nan 0.000 0.442 214 V N 1.947 121.769 119.914 -0.152 0.000 2.237 214 V HA -0.167 3.954 4.120 0.000 0.000 0.245 214 V C -1.027 174.909 176.094 -0.262 0.000 1.046 214 V CA 1.958 64.107 62.300 -0.253 0.000 1.007 214 V CB -1.117 30.587 31.823 -0.199 0.000 0.638 214 V HN 0.381 nan 8.190 nan 0.000 0.445 215 P HA -0.142 nan 4.420 nan 0.000 0.217 215 P C 1.604 178.874 177.300 -0.050 0.000 1.150 215 P CA 2.134 65.228 63.100 -0.010 0.000 0.832 215 P CB -0.122 31.514 31.700 -0.107 0.000 0.787 216 A N 0.495 123.219 122.820 -0.160 0.000 1.933 216 A HA -0.073 4.247 4.320 0.000 0.000 0.218 216 A C 2.462 179.943 177.584 -0.172 0.000 1.175 216 A CA 2.153 54.033 52.037 -0.260 0.000 0.628 216 A CB -1.478 17.061 19.000 -0.767 0.000 0.814 216 A HN 0.229 nan 8.150 nan 0.000 0.444 217 A N -1.208 121.502 122.820 -0.183 0.000 1.873 217 A HA -0.043 4.277 4.320 0.000 0.000 0.215 217 A C 2.065 179.629 177.584 -0.032 0.000 1.186 217 A CA 1.543 53.497 52.037 -0.138 0.000 0.616 217 A CB -0.845 18.021 19.000 -0.224 0.000 0.823 217 A HN 0.523 nan 8.150 nan 0.000 0.442 218 Y N 0.091 120.398 120.300 0.012 0.000 2.165 218 Y HA -0.162 4.388 4.550 0.000 0.000 0.286 218 Y C 2.951 178.943 175.900 0.154 0.000 1.155 218 Y CA 0.631 58.798 58.100 0.112 0.000 1.164 218 Y CB -0.954 37.524 38.460 0.031 0.000 0.978 218 Y HN 0.334 nan 8.280 nan 0.000 0.513 219 A N -0.098 122.848 122.820 0.210 0.000 1.898 219 A HA -0.071 4.249 4.320 0.000 0.000 0.216 219 A C 2.481 180.101 177.584 0.061 0.000 1.181 219 A CA 1.690 53.798 52.037 0.118 0.000 0.620 219 A CB -1.242 17.794 19.000 0.060 0.000 0.819 219 A HN 0.376 nan 8.150 nan 0.000 0.442 220 A N -0.605 122.240 122.820 0.041 0.000 2.024 220 A HA -0.217 4.103 4.320 0.000 0.000 0.220 220 A C 1.940 179.528 177.584 0.006 0.000 1.164 220 A CA 1.676 53.724 52.037 0.018 0.000 0.643 220 A CB -0.497 18.510 19.000 0.013 0.000 0.806 220 A HN 0.691 nan 8.150 nan 0.000 0.451 221 Q N -1.882 117.938 119.800 0.033 0.000 2.403 221 Q HA 0.312 4.652 4.340 0.000 0.000 0.203 221 Q C 1.068 176.907 176.000 -0.268 0.000 0.932 221 Q CA 0.387 56.171 55.803 -0.033 0.000 0.945 221 Q CB 0.244 29.065 28.738 0.139 0.000 1.045 221 Q HN 0.853 nan 8.270 nan 0.000 0.511 222 G N -0.344 108.330 108.800 -0.210 0.000 2.179 222 G HA2 -0.241 3.719 3.960 0.000 0.000 0.220 222 G HA3 -0.241 3.719 3.960 0.000 0.000 0.220 222 G C -0.448 174.264 174.900 -0.313 0.000 0.990 222 G CA -0.543 44.387 45.100 -0.284 0.000 0.646 222 G HN 0.234 nan 8.290 nan 0.000 0.517 223 Y N 0.740 121.054 120.300 0.024 0.000 2.335 223 Y HA 0.626 5.176 4.550 0.000 0.000 0.323 223 Y C 0.978 176.887 175.900 0.015 0.000 1.224 223 Y CA -0.655 57.448 58.100 0.005 0.000 1.241 223 Y CB 0.928 39.373 38.460 -0.025 0.000 1.235 223 Y HN -0.035 nan 8.280 nan 0.000 0.492 224 K N 1.870 122.386 120.400 0.194 0.000 2.227 224 K HA 0.571 4.891 4.320 0.000 0.000 0.280 224 K C -1.372 175.360 176.600 0.220 0.000 1.041 224 K CA -0.521 55.866 56.287 0.166 0.000 0.905 224 K CB 1.128 33.685 32.500 0.096 0.000 1.068 224 K HN 0.328 nan 8.250 nan 0.000 0.470 225 V N 4.436 124.457 119.914 0.178 0.000 2.531 225 V HA 0.303 4.423 4.120 0.000 0.000 0.301 225 V C -0.954 175.003 176.094 -0.227 0.000 1.034 225 V CA -1.059 61.230 62.300 -0.019 0.000 0.865 225 V CB 1.558 33.347 31.823 -0.057 0.000 0.995 225 V HN 0.548 nan 8.190 nan 0.000 0.424 226 L N 6.415 127.295 121.223 -0.573 0.000 2.296 226 L HA 0.754 5.094 4.340 0.000 0.000 0.286 226 L C -0.561 175.972 176.870 -0.562 0.000 1.023 226 L CA 0.032 54.379 54.840 -0.822 0.000 0.812 226 L CB 1.721 42.943 42.059 -1.394 0.000 1.223 226 L HN 0.461 nan 8.230 nan 0.000 0.421 227 V N 6.664 126.259 119.914 -0.531 0.000 2.409 227 V HA 0.452 4.572 4.120 0.000 0.000 0.291 227 V C -0.070 175.817 176.094 -0.346 0.000 1.020 227 V CA -0.541 61.505 62.300 -0.424 0.000 0.848 227 V CB 1.366 32.896 31.823 -0.488 0.000 0.990 227 V HN 0.615 nan 8.190 nan 0.000 0.430 228 L N 5.059 126.015 121.223 -0.445 0.000 2.307 228 L HA 0.651 4.991 4.340 0.000 0.000 0.284 228 L C -0.037 176.438 176.870 -0.658 0.000 1.023 228 L CA -0.210 54.205 54.840 -0.708 0.000 0.810 228 L CB 1.558 42.913 42.059 -1.173 0.000 1.231 228 L HN 0.632 nan 8.230 nan 0.000 0.423 229 N N 2.945 121.350 118.700 -0.492 0.000 2.277 229 N HA 0.382 5.122 4.740 0.000 0.000 0.286 229 N C -2.510 173.036 175.510 0.060 0.000 1.140 229 N CA -1.533 51.478 53.050 -0.064 0.000 0.799 229 N CB 3.375 41.991 38.487 0.215 0.000 1.596 229 N HN 0.135 nan 8.380 nan 0.000 0.473 230 P HA 0.030 nan 4.420 nan 0.000 0.241 230 P C -0.116 177.249 177.300 0.108 0.000 1.191 230 P CA 0.625 63.867 63.100 0.236 0.000 0.771 230 P CB 0.288 32.073 31.700 0.141 0.000 0.929 231 S N -0.555 115.187 115.700 0.071 0.000 2.433 231 S HA 0.239 4.709 4.470 0.000 0.000 0.310 231 S C 1.032 175.615 174.600 -0.028 0.000 1.097 231 S CA -0.710 57.502 58.200 0.020 0.000 1.103 231 S CB 1.061 64.263 63.200 0.002 0.000 0.992 231 S HN -0.147 nan 8.310 nan 0.000 0.469 232 V N 6.098 126.001 119.914 -0.019 0.000 2.295 232 V HA -0.059 4.061 4.120 0.000 0.000 0.246 232 V C 2.414 178.450 176.094 -0.097 0.000 1.049 232 V CA 2.859 65.134 62.300 -0.040 0.000 1.024 232 V CB -1.133 30.682 31.823 -0.014 0.000 0.648 232 V HN 1.020 nan 8.190 nan 0.000 0.447 233 A N 0.002 122.764 122.820 -0.096 0.000 1.883 233 A HA -0.088 4.232 4.320 0.000 0.000 0.217 233 A C 2.477 179.885 177.584 -0.294 0.000 1.186 233 A CA 2.491 54.437 52.037 -0.152 0.000 0.624 233 A CB -1.217 17.714 19.000 -0.114 0.000 0.822 233 A HN 0.925 nan 8.150 nan 0.000 0.444 234 A N -1.062 121.548 122.820 -0.350 0.000 1.877 234 A HA -0.106 4.214 4.320 0.000 0.000 0.216 234 A C 2.324 179.203 177.584 -1.174 0.000 1.186 234 A CA 2.403 54.008 52.037 -0.720 0.000 0.620 234 A CB -1.415 17.282 19.000 -0.505 0.000 0.822 234 A HN 0.441 nan 8.150 nan 0.000 0.443 235 T N 0.673 114.866 114.554 -0.601 0.000 2.684 235 T HA -0.147 4.203 4.350 0.000 0.000 0.267 235 T C 1.797 176.305 174.700 -0.321 0.000 1.036 235 T CA 1.653 63.557 62.100 -0.327 0.000 1.148 235 T CB -0.463 68.376 68.868 -0.048 0.000 0.863 235 T HN 0.376 nan 8.240 nan 0.000 0.436 236 L N 0.527 121.599 121.223 -0.253 0.000 2.131 236 L HA -0.005 4.335 4.340 0.000 0.000 0.210 236 L C 2.967 179.705 176.870 -0.220 0.000 1.092 236 L CA 1.233 55.970 54.840 -0.170 0.000 0.759 236 L CB -0.875 41.112 42.059 -0.120 0.000 0.903 236 L HN 0.363 nan 8.230 nan 0.000 0.435 237 G N -0.278 108.307 108.800 -0.359 0.000 2.394 237 G HA2 -0.225 3.735 3.960 0.000 0.000 0.215 237 G HA3 -0.225 3.735 3.960 0.000 0.000 0.215 237 G C 1.279 176.031 174.900 -0.247 0.000 1.165 237 G CA 0.237 45.146 45.100 -0.319 0.000 0.784 237 G HN 0.164 nan 8.290 nan 0.000 0.535 238 F N 1.910 121.669 119.950 -0.320 0.000 2.161 238 F HA 0.019 4.546 4.527 0.000 0.000 0.300 238 F C 2.814 178.352 175.800 -0.437 0.000 1.089 238 F CA 0.392 58.077 58.000 -0.524 0.000 1.282 238 F CB -1.128 37.153 39.000 -1.199 0.000 1.010 238 F HN 0.174 nan 8.300 nan 0.000 0.485 239 G N -0.367 108.300 108.800 -0.221 0.000 2.433 239 G HA2 -0.163 3.798 3.960 0.000 0.000 0.216 239 G HA3 -0.163 3.798 3.960 0.000 0.000 0.216 239 G C 1.945 176.871 174.900 0.044 0.000 1.186 239 G CA 1.074 46.155 45.100 -0.032 0.000 0.779 239 G HN 0.475 nan 8.290 nan 0.000 0.543 240 A N -0.096 122.735 122.820 0.017 0.000 1.902 240 A HA -0.061 4.259 4.320 0.000 0.000 0.217 240 A C 2.231 179.856 177.584 0.068 0.000 1.181 240 A CA 1.765 53.821 52.037 0.031 0.000 0.623 240 A CB -0.727 18.275 19.000 0.003 0.000 0.818 240 A HN 0.514 nan 8.150 nan 0.000 0.443 241 Y N -0.245 120.049 120.300 -0.010 0.000 2.181 241 Y HA -0.202 4.348 4.550 0.000 0.000 0.288 241 Y C 2.380 178.324 175.900 0.073 0.000 1.146 241 Y CA 2.243 60.357 58.100 0.023 0.000 1.164 241 Y CB -0.206 38.283 38.460 0.047 0.000 0.982 241 Y HN 0.375 nan 8.280 nan 0.000 0.515 242 M N -1.037 118.710 119.600 0.244 0.000 2.200 242 M HA -0.169 4.312 4.480 0.000 0.000 0.265 242 M C 2.141 178.506 176.300 0.109 0.000 1.066 242 M CA 1.974 57.426 55.300 0.254 0.000 1.127 242 M CB -0.179 32.626 32.600 0.341 0.000 1.379 242 M HN 0.194 nan 8.290 nan 0.000 0.420 243 S N 1.690 117.432 115.700 0.070 0.000 2.351 243 S HA -0.204 4.266 4.470 0.000 0.000 0.220 243 S C 1.679 176.261 174.600 -0.030 0.000 1.035 243 S CA 2.123 60.342 58.200 0.032 0.000 1.031 243 S CB -0.484 62.731 63.200 0.026 0.000 0.928 243 S HN 0.649 nan 8.310 nan 0.000 0.433 244 K N 0.897 121.246 120.400 -0.084 0.000 2.486 244 K HA 0.309 4.629 4.320 0.000 0.000 0.194 244 K C 1.560 178.025 176.600 -0.224 0.000 1.033 244 K CA 0.856 57.065 56.287 -0.130 0.000 1.004 244 K CB 0.003 32.432 32.500 -0.118 0.000 0.798 244 K HN 0.303 nan 8.250 nan 0.000 0.495 245 A N 1.134 123.759 122.820 -0.326 0.000 2.011 245 A HA 0.107 4.427 4.320 0.000 0.000 0.204 245 A C 1.328 178.662 177.584 -0.417 0.000 1.520 245 A CA -0.059 51.681 52.037 -0.496 0.000 0.819 245 A CB -0.229 18.213 19.000 -0.929 0.000 1.087 245 A HN 0.353 nan 8.150 nan 0.000 0.526 246 H N -0.260 118.746 119.070 -0.106 0.000 2.517 246 H HA 0.257 4.813 4.556 0.000 0.000 0.282 246 H C 1.365 176.683 175.328 -0.017 0.000 1.023 246 H CA 0.416 56.443 56.048 -0.035 0.000 1.169 246 H CB 0.095 29.864 29.762 0.012 0.000 1.454 246 H HN 0.663 nan 8.280 nan 0.000 0.556 247 G N 2.313 111.138 108.800 0.041 0.000 2.225 247 G HA2 -0.266 3.694 3.960 0.000 0.000 0.267 247 G HA3 -0.266 3.694 3.960 0.000 0.000 0.267 247 G C 0.435 175.368 174.900 0.055 0.000 1.024 247 G CA 0.706 45.824 45.100 0.030 0.000 0.784 247 G HN 0.543 nan 8.290 nan 0.000 0.507 248 I N -2.924 117.697 120.570 0.085 0.000 2.498 248 I HA 0.605 4.776 4.170 0.000 0.000 0.290 248 I C -1.425 174.749 176.117 0.095 0.000 1.032 248 I CA -1.168 60.182 61.300 0.083 0.000 1.073 248 I CB 2.144 40.196 38.000 0.088 0.000 1.251 248 I HN -0.215 nan 8.210 nan 0.000 0.426 249 D N 8.706 129.154 120.400 0.079 0.000 2.441 249 D HA 0.367 5.007 4.640 0.000 0.000 0.221 249 D C -2.251 174.114 176.300 0.107 0.000 1.156 249 D CA -1.089 52.962 54.000 0.085 0.000 0.896 249 D CB 1.116 41.952 40.800 0.060 0.000 1.028 249 D HN 0.420 nan 8.370 nan 0.000 0.509 250 P HA 0.027 nan 4.420 nan 0.000 0.272 250 P C -0.022 177.372 177.300 0.156 0.000 1.230 250 P CA -0.526 62.682 63.100 0.180 0.000 0.788 250 P CB 0.941 32.840 31.700 0.331 0.000 0.949 251 N N 1.499 120.280 118.700 0.136 0.000 2.454 251 N HA 0.104 4.844 4.740 0.000 0.000 0.254 251 N C -0.078 175.526 175.510 0.158 0.000 1.228 251 N CA 0.357 53.482 53.050 0.125 0.000 0.900 251 N CB 0.290 38.849 38.487 0.119 0.000 1.089 251 N HN 0.324 nan 8.380 nan 0.000 0.449 252 I N 2.011 122.659 120.570 0.130 0.000 2.466 252 I HA 0.302 4.472 4.170 0.000 0.000 0.289 252 I C 0.107 176.284 176.117 0.100 0.000 1.026 252 I CA -0.405 60.974 61.300 0.133 0.000 1.078 252 I CB 1.628 39.688 38.000 0.099 0.000 1.249 252 I HN 0.293 nan 8.210 nan 0.000 0.429 253 R N 4.058 124.617 120.500 0.098 0.000 2.468 253 R HA 0.594 4.934 4.340 0.000 0.000 0.302 253 R C -0.576 175.760 176.300 0.061 0.000 1.041 253 R CA -0.498 55.649 56.100 0.078 0.000 0.899 253 R CB 2.214 32.568 30.300 0.090 0.000 1.167 253 R HN 0.787 nan 8.270 nan 0.000 0.483 254 T N -2.441 112.141 114.554 0.046 0.000 2.864 254 T HA 0.349 4.699 4.350 0.000 0.000 0.299 254 T C 1.099 175.815 174.700 0.027 0.000 1.166 254 T CA -0.492 61.626 62.100 0.030 0.000 1.007 254 T CB 1.883 70.761 68.868 0.016 0.000 1.219 254 T HN 0.387 nan 8.240 nan 0.000 0.506 255 G N 0.115 108.924 108.800 0.015 0.000 2.440 255 G HA2 -0.157 3.803 3.960 0.000 0.000 0.218 255 G HA3 -0.157 3.803 3.960 0.000 0.000 0.218 255 G C 1.405 176.318 174.900 0.020 0.000 1.154 255 G CA 1.105 46.213 45.100 0.013 0.000 0.767 255 G HN 0.830 nan 8.290 nan 0.000 0.552 256 V N -0.420 119.504 119.914 0.016 0.000 2.719 256 V HA 0.305 4.425 4.120 0.000 0.000 0.252 256 V C 1.044 177.151 176.094 0.021 0.000 1.065 256 V CA 1.071 63.383 62.300 0.019 0.000 1.086 256 V CB -0.133 31.700 31.823 0.016 0.000 0.700 256 V HN 0.289 nan 8.190 nan 0.000 0.467 257 R N -0.035 120.478 120.500 0.022 0.000 2.512 257 R HA 0.376 4.716 4.340 0.000 0.000 0.291 257 R C -1.534 174.786 176.300 0.033 0.000 1.097 257 R CA -0.188 55.927 56.100 0.024 0.000 0.940 257 R CB 1.778 32.088 30.300 0.017 0.000 1.198 257 R HN 0.284 nan 8.270 nan 0.000 0.429 258 T N 5.801 120.378 114.554 0.038 0.000 2.812 258 T HA 0.542 4.893 4.350 0.000 0.000 0.282 258 T C -0.322 174.406 174.700 0.046 0.000 0.990 258 T CA -0.399 61.729 62.100 0.047 0.000 0.960 258 T CB 1.068 69.965 68.868 0.048 0.000 0.948 258 T HN 0.418 nan 8.240 nan 0.000 0.438 259 I N 2.510 123.113 120.570 0.055 0.000 2.478 259 I HA 0.317 4.487 4.170 0.000 0.000 0.287 259 I C -0.104 176.049 176.117 0.060 0.000 1.042 259 I CA -0.747 60.584 61.300 0.052 0.000 1.067 259 I CB 2.273 40.304 38.000 0.051 0.000 1.233 259 I HN 0.457 nan 8.210 nan 0.000 0.431 260 T N 3.116 117.700 114.554 0.050 0.000 2.743 260 T HA 0.236 4.586 4.350 0.000 0.000 0.292 260 T C 0.968 175.694 174.700 0.044 0.000 0.972 260 T CA -0.417 61.713 62.100 0.050 0.000 0.967 260 T CB 0.966 69.858 68.868 0.040 0.000 0.926 260 T HN 0.817 nan 8.240 nan 0.000 0.459 261 T N -0.483 114.101 114.554 0.050 0.000 3.001 261 T HA 0.381 4.731 4.350 0.000 0.000 0.251 261 T C 1.818 176.539 174.700 0.035 0.000 1.040 261 T CA 0.463 62.589 62.100 0.043 0.000 0.985 261 T CB 0.116 69.015 68.868 0.053 0.000 1.011 261 T HN 0.880 nan 8.240 nan 0.000 0.509 262 G N 1.649 110.470 108.800 0.034 0.000 2.179 262 G HA2 -0.094 3.866 3.960 0.000 0.000 0.260 262 G HA3 -0.094 3.866 3.960 0.000 0.000 0.260 262 G C 0.471 175.386 174.900 0.025 0.000 0.977 262 G CA 0.018 45.131 45.100 0.022 0.000 0.641 262 G HN 1.216 nan 8.290 nan 0.000 0.533 263 A N 0.813 123.658 122.820 0.042 0.000 2.429 263 A HA 0.577 4.897 4.320 0.000 0.000 0.242 263 A C -0.080 177.535 177.584 0.051 0.000 1.088 263 A CA 0.165 52.231 52.037 0.048 0.000 0.784 263 A CB 0.371 19.411 19.000 0.067 0.000 1.038 263 A HN 0.259 nan 8.150 nan 0.000 0.501 264 P HA 0.171 nan 4.420 nan 0.000 0.257 264 P C -0.549 176.804 177.300 0.089 0.000 1.281 264 P CA 0.349 63.485 63.100 0.060 0.000 0.826 264 P CB 0.047 31.774 31.700 0.046 0.000 1.237 265 V N -0.141 119.816 119.914 0.071 0.000 2.540 265 V HA 0.422 4.542 4.120 0.000 0.000 0.302 265 V C -0.092 176.012 176.094 0.017 0.000 1.035 265 V CA -0.149 62.157 62.300 0.011 0.000 0.873 265 V CB 2.210 34.017 31.823 -0.027 0.000 0.992 265 V HN -0.104 nan 8.190 nan 0.000 0.428 266 T N 4.140 118.648 114.554 -0.076 0.000 2.879 266 T HA 0.572 4.922 4.350 0.000 0.000 0.290 266 T C -1.238 173.328 174.700 -0.224 0.000 0.993 266 T CA -0.327 61.757 62.100 -0.027 0.000 0.975 266 T CB 0.891 69.826 68.868 0.111 0.000 0.981 266 T HN 0.401 nan 8.240 nan 0.000 0.439 267 Y N 1.635 121.949 120.300 0.023 0.000 2.328 267 Y HA 0.611 5.161 4.550 0.000 0.000 0.337 267 Y C 0.746 176.644 175.900 -0.004 0.000 1.008 267 Y CA -0.287 57.823 58.100 0.016 0.000 1.129 267 Y CB 1.730 40.258 38.460 0.114 0.000 1.185 267 Y HN 0.564 nan 8.280 nan 0.000 0.476 268 S N 1.502 117.241 115.700 0.064 0.000 2.569 268 S HA 0.581 5.051 4.470 0.000 0.000 0.280 268 S C -0.499 174.067 174.600 -0.057 0.000 1.111 268 S CA -0.790 57.418 58.200 0.014 0.000 0.887 268 S CB 0.854 64.047 63.200 -0.012 0.000 1.095 268 S HN 0.697 nan 8.310 nan 0.000 0.476 269 T N 1.656 116.194 114.554 -0.026 0.000 2.868 269 T HA 0.335 4.685 4.350 0.000 0.000 0.292 269 T C 0.801 175.457 174.700 -0.073 0.000 1.028 269 T CA -0.083 61.985 62.100 -0.053 0.000 1.059 269 T CB 0.127 69.006 68.868 0.017 0.000 0.991 269 T HN 0.621 nan 8.240 nan 0.000 0.531 270 Y N 1.282 121.583 120.300 0.003 0.000 2.224 270 Y HA 0.067 4.617 4.550 0.000 0.000 0.289 270 Y C 2.812 178.735 175.900 0.038 0.000 1.146 270 Y CA 1.676 59.785 58.100 0.015 0.000 1.182 270 Y CB -1.031 37.405 38.460 -0.040 0.000 0.983 270 Y HN 0.889 nan 8.280 nan 0.000 0.524 271 G N -0.271 108.618 108.800 0.150 0.000 2.421 271 G HA2 -0.323 3.637 3.960 0.000 0.000 0.216 271 G HA3 -0.323 3.637 3.960 0.000 0.000 0.216 271 G C 1.675 176.613 174.900 0.063 0.000 1.171 271 G CA 1.307 46.454 45.100 0.078 0.000 0.775 271 G HN 0.251 nan 8.290 nan 0.000 0.543 272 K N 0.147 120.588 120.400 0.069 0.000 2.103 272 K HA 0.017 4.337 4.320 0.000 0.000 0.204 272 K C 2.023 178.670 176.600 0.078 0.000 1.052 272 K CA 0.777 57.104 56.287 0.067 0.000 0.945 272 K CB -0.655 31.882 32.500 0.061 0.000 0.722 272 K HN 0.231 nan 8.250 nan 0.000 0.443 273 F N 1.006 120.922 119.950 -0.058 0.000 2.091 273 F HA -0.180 4.347 4.527 0.000 0.000 0.299 273 F C 1.475 177.211 175.800 -0.107 0.000 1.103 273 F CA 1.670 59.628 58.000 -0.071 0.000 1.228 273 F CB -0.298 38.647 39.000 -0.090 0.000 0.984 273 F HN -0.001 nan 8.300 nan 0.000 0.477 274 L N 0.008 121.073 121.223 -0.262 0.000 2.017 274 L HA -0.191 4.149 4.340 0.000 0.000 0.208 274 L C 2.854 179.483 176.870 -0.401 0.000 1.073 274 L CA 1.219 55.697 54.840 -0.603 0.000 0.745 274 L CB -1.294 40.100 42.059 -1.108 0.000 0.894 274 L HN 0.269 nan 8.230 nan 0.000 0.432 275 A N -0.345 122.411 122.820 -0.106 0.000 1.940 275 A HA -0.229 4.091 4.320 0.000 0.000 0.219 275 A C 1.813 179.410 177.584 0.022 0.000 1.176 275 A CA 1.913 54.033 52.037 0.138 0.000 0.631 275 A CB -0.492 18.617 19.000 0.181 0.000 0.814 275 A HN 0.369 nan 8.150 nan 0.000 0.446 276 D N -1.227 119.134 120.400 -0.065 0.000 2.371 276 D HA 0.177 4.817 4.640 0.000 0.000 0.221 276 D C 1.381 177.596 176.300 -0.141 0.000 0.986 276 D CA 1.227 55.182 54.000 -0.074 0.000 0.899 276 D CB -0.075 40.692 40.800 -0.054 0.000 0.902 276 D HN 0.659 nan 8.370 nan 0.000 0.530 277 G N -0.466 108.201 108.800 -0.221 0.000 2.141 277 G HA2 -0.070 3.891 3.960 0.000 0.000 0.231 277 G HA3 -0.070 3.891 3.960 0.000 0.000 0.231 277 G C 0.848 175.527 174.900 -0.368 0.000 0.984 277 G CA 0.181 45.147 45.100 -0.224 0.000 0.660 277 G HN 0.806 nan 8.290 nan 0.000 0.525 278 G N -1.446 106.905 108.800 -0.749 0.000 2.498 278 G HA2 -0.033 3.927 3.960 0.000 0.000 0.245 278 G HA3 -0.033 3.927 3.960 0.000 0.000 0.245 278 G C 0.495 175.087 174.900 -0.513 0.000 1.204 278 G CA 0.291 44.737 45.100 -1.090 0.000 0.933 278 G HN 1.595 nan 8.290 nan 0.000 0.574 279 C N 1.100 120.363 119.300 -0.061 0.000 2.566 279 C HA 0.621 5.081 4.460 0.000 0.000 0.393 279 C C 1.358 176.395 174.990 0.078 0.000 1.309 279 C CA 0.534 59.658 59.018 0.176 0.000 1.801 279 C CB -0.021 27.836 27.740 0.194 0.000 2.493 279 C HN 1.045 nan 8.230 nan 0.000 0.575 280 S N 3.001 118.769 115.700 0.113 0.000 2.505 280 S HA 0.447 4.917 4.470 0.000 0.000 0.276 280 S C 0.668 175.284 174.600 0.026 0.000 1.274 280 S CA -0.265 57.961 58.200 0.044 0.000 1.053 280 S CB 0.395 63.613 63.200 0.031 0.000 0.919 280 S HN 1.030 nan 8.310 nan 0.000 0.490 281 G N 2.778 111.578 108.800 -0.001 0.000 2.265 281 G HA2 0.401 4.361 3.960 0.000 0.000 0.240 281 G HA3 0.401 4.361 3.960 0.000 0.000 0.240 281 G C 1.211 176.093 174.900 -0.031 0.000 1.270 281 G CA -0.008 45.085 45.100 -0.011 0.000 0.901 281 G HN 1.960 nan 8.290 nan 0.000 0.507 282 G N 1.064 109.848 108.800 -0.028 0.000 2.196 282 G HA2 -0.072 3.889 3.960 0.000 0.000 0.268 282 G HA3 -0.072 3.889 3.960 0.000 0.000 0.268 282 G C 1.383 176.220 174.900 -0.106 0.000 0.975 282 G CA 1.282 46.353 45.100 -0.047 0.000 0.648 282 G HN 1.736 nan 8.290 nan 0.000 0.538 283 A N -1.377 121.345 122.820 -0.164 0.000 1.929 283 A HA 0.514 4.834 4.320 0.000 0.000 0.216 283 A C 0.774 177.932 177.584 -0.711 0.000 1.176 283 A CA 1.537 53.297 52.037 -0.462 0.000 0.628 283 A CB 0.056 18.732 19.000 -0.540 0.000 0.816 283 A HN 0.872 nan 8.150 nan 0.000 0.444 284 Y N -1.537 118.766 120.300 0.006 0.000 2.524 284 Y HA 0.369 4.919 4.550 0.000 0.000 0.347 284 Y C 0.180 176.075 175.900 -0.009 0.000 1.005 284 Y CA -1.285 56.809 58.100 -0.008 0.000 1.025 284 Y CB 1.477 39.920 38.460 -0.029 0.000 1.275 284 Y HN 0.077 nan 8.280 nan 0.000 0.460 285 D N 1.343 121.833 120.400 0.150 0.000 2.216 285 D HA 0.154 4.794 4.640 0.000 0.000 0.208 285 D C 0.065 176.331 176.300 -0.058 0.000 0.960 285 D CA 1.381 55.417 54.000 0.060 0.000 0.861 285 D CB 1.023 41.892 40.800 0.115 0.000 0.985 285 D HN 0.342 nan 8.370 nan 0.000 0.493 286 I N 1.199 121.710 120.570 -0.097 0.000 2.533 286 I HA 0.338 4.509 4.170 0.000 0.000 0.290 286 I C -0.757 175.225 176.117 -0.226 0.000 1.056 286 I CA -0.651 60.493 61.300 -0.260 0.000 1.057 286 I CB 2.754 40.443 38.000 -0.518 0.000 1.240 286 I HN -0.328 nan 8.210 nan 0.000 0.423 287 I N 6.688 127.120 120.570 -0.230 0.000 2.410 287 I HA 0.425 4.595 4.170 0.000 0.000 0.286 287 I C -0.447 175.515 176.117 -0.258 0.000 1.009 287 I CA -0.425 60.708 61.300 -0.280 0.000 1.111 287 I CB 1.821 39.678 38.000 -0.238 0.000 1.262 287 I HN 0.362 nan 8.210 nan 0.000 0.443 288 I N 5.604 126.010 120.570 -0.273 0.000 2.312 288 I HA 0.234 4.404 4.170 0.000 0.000 0.290 288 I C -0.347 175.650 176.117 -0.199 0.000 1.008 288 I CA -0.392 60.787 61.300 -0.201 0.000 1.226 288 I CB 1.153 39.054 38.000 -0.165 0.000 1.371 288 I HN 0.570 nan 8.210 nan 0.000 0.468 289 C N 5.083 124.313 119.300 -0.118 0.000 2.192 289 C HA 0.192 4.652 4.460 0.000 0.000 0.337 289 C C 0.573 175.599 174.990 0.059 0.000 1.103 289 C CA -0.545 58.472 59.018 -0.002 0.000 1.581 289 C CB -1.109 26.678 27.740 0.079 0.000 2.070 289 C HN 0.596 nan 8.230 nan 0.000 0.485 290 D N 2.151 122.568 120.400 0.030 0.000 2.339 290 D HA 0.091 4.731 4.640 0.000 0.000 0.245 290 D C 0.648 177.034 176.300 0.142 0.000 1.115 290 D CA 0.553 54.586 54.000 0.056 0.000 0.917 290 D CB 0.665 41.470 40.800 0.008 0.000 1.192 290 D HN 0.561 nan 8.370 nan 0.000 0.428 291 E N 1.365 121.637 120.200 0.121 0.000 2.269 291 E HA -0.226 4.124 4.350 0.000 0.000 0.223 291 E C 1.289 177.810 176.600 -0.132 0.000 1.244 291 E CA 0.706 57.135 56.400 0.048 0.000 0.713 291 E CB -2.381 27.328 29.700 0.015 0.000 1.178 291 E HN 0.583 nan 8.360 nan 0.000 0.370 292 C N -1.132 118.184 119.300 0.028 0.000 2.466 292 C HA -0.016 4.444 4.460 0.000 0.000 0.283 292 C C 2.189 177.167 174.990 -0.020 0.000 1.472 292 C CA 0.544 59.564 59.018 0.002 0.000 1.765 292 C CB -1.144 26.635 27.740 0.065 0.000 1.724 292 C HN 0.638 nan 8.230 nan 0.000 0.560 293 H N 0.444 119.539 119.070 0.042 0.000 2.547 293 H HA 0.119 4.675 4.556 0.000 0.000 0.272 293 H C 0.579 175.912 175.328 0.009 0.000 0.989 293 H CA 0.761 56.828 56.048 0.032 0.000 1.214 293 H CB -0.588 29.184 29.762 0.016 0.000 1.389 293 H HN 0.431 nan 8.280 nan 0.000 0.577 294 S N 1.939 117.289 115.700 -0.583 0.000 2.537 294 S HA 0.066 4.536 4.470 0.000 0.000 0.286 294 S C 1.075 175.513 174.600 -0.271 0.000 1.299 294 S CA 0.387 58.346 58.200 -0.402 0.000 1.067 294 S CB 0.951 63.913 63.200 -0.397 0.000 0.864 294 S HN 0.671 nan 8.310 nan 0.000 0.494 295 T N -1.325 113.098 114.554 -0.219 0.000 3.215 295 T HA 0.115 4.465 4.350 0.000 0.000 0.271 295 T C 0.109 174.590 174.700 -0.364 0.000 1.012 295 T CA -0.798 61.079 62.100 -0.372 0.000 0.899 295 T CB -0.430 68.291 68.868 -0.245 0.000 1.089 295 T HN 0.704 nan 8.240 nan 0.000 0.552 296 D N 1.504 121.736 120.400 -0.279 0.000 2.362 296 D HA 0.052 4.693 4.640 0.000 0.000 0.242 296 D C 1.286 177.398 176.300 -0.313 0.000 1.132 296 D CA -0.004 53.854 54.000 -0.237 0.000 0.907 296 D CB 1.644 42.347 40.800 -0.163 0.000 1.195 296 D HN 0.265 nan 8.370 nan 0.000 0.429 297 S N 1.580 117.122 115.700 -0.263 0.000 2.399 297 S HA -0.191 4.279 4.470 0.000 0.000 0.231 297 S C 1.728 176.179 174.600 -0.249 0.000 1.022 297 S CA 1.323 59.356 58.200 -0.277 0.000 0.983 297 S CB -0.753 62.316 63.200 -0.218 0.000 0.803 297 S HN 0.626 nan 8.310 nan 0.000 0.480 298 T N 2.329 116.772 114.554 -0.184 0.000 2.708 298 T HA -0.081 4.269 4.350 0.000 0.000 0.266 298 T C 2.005 176.559 174.700 -0.243 0.000 1.037 298 T CA 1.965 63.988 62.100 -0.128 0.000 1.146 298 T CB -1.029 67.809 68.868 -0.050 0.000 0.865 298 T HN 0.577 nan 8.240 nan 0.000 0.435 299 T N 2.139 116.463 114.554 -0.383 0.000 2.708 299 T HA 0.026 4.376 4.350 0.000 0.000 0.266 299 T C 2.012 176.335 174.700 -0.628 0.000 1.037 299 T CA 0.945 62.590 62.100 -0.757 0.000 1.146 299 T CB -0.442 68.011 68.868 -0.693 0.000 0.865 299 T HN 0.295 nan 8.240 nan 0.000 0.435 300 I N 0.572 120.812 120.570 -0.551 0.000 2.179 300 I HA -0.148 4.022 4.170 0.000 0.000 0.242 300 I C 2.305 178.134 176.117 -0.481 0.000 1.088 300 I CA 0.900 61.780 61.300 -0.699 0.000 1.357 300 I CB -0.333 37.102 38.000 -0.940 0.000 1.051 300 I HN 0.152 nan 8.210 nan 0.000 0.409 301 L N 1.018 122.028 121.223 -0.354 0.000 2.046 301 L HA -0.071 4.270 4.340 0.000 0.000 0.208 301 L C 2.319 179.119 176.870 -0.117 0.000 1.077 301 L CA 2.142 56.844 54.840 -0.229 0.000 0.747 301 L CB -1.265 40.673 42.059 -0.200 0.000 0.896 301 L HN 0.204 nan 8.230 nan 0.000 0.432 302 G N -0.261 108.479 108.800 -0.100 0.000 2.421 302 G HA2 -0.249 3.711 3.960 0.000 0.000 0.216 302 G HA3 -0.249 3.711 3.960 0.000 0.000 0.216 302 G C 1.639 176.633 174.900 0.157 0.000 1.171 302 G CA 1.175 46.358 45.100 0.139 0.000 0.775 302 G HN 0.464 nan 8.290 nan 0.000 0.543 303 I N 1.253 121.822 120.570 -0.000 0.000 2.252 303 I HA -0.075 4.096 4.170 0.000 0.000 0.245 303 I C 3.084 179.307 176.117 0.177 0.000 1.102 303 I CA 0.917 62.280 61.300 0.104 0.000 1.385 303 I CB -0.504 37.567 38.000 0.118 0.000 1.064 303 I HN 0.255 nan 8.210 nan 0.000 0.414 304 G N 0.368 109.292 108.800 0.206 0.000 2.442 304 G HA2 -0.232 3.728 3.960 0.000 0.000 0.219 304 G HA3 -0.232 3.728 3.960 0.000 0.000 0.219 304 G C 1.653 176.622 174.900 0.115 0.000 1.141 304 G CA 1.430 46.639 45.100 0.183 0.000 0.763 304 G HN 0.280 nan 8.290 nan 0.000 0.554 305 T N 0.796 115.418 114.554 0.115 0.000 2.708 305 T HA -0.115 4.235 4.350 0.000 0.000 0.266 305 T C 2.558 177.383 174.700 0.208 0.000 1.037 305 T CA 1.243 63.427 62.100 0.139 0.000 1.146 305 T CB -0.316 68.648 68.868 0.160 0.000 0.865 305 T HN 0.060 nan 8.240 nan 0.000 0.435 306 V N 1.642 121.707 119.914 0.252 0.000 2.255 306 V HA -0.160 3.960 4.120 0.000 0.000 0.247 306 V C 2.509 178.675 176.094 0.120 0.000 1.051 306 V CA 1.636 64.037 62.300 0.167 0.000 1.018 306 V CB -0.716 31.117 31.823 0.017 0.000 0.641 306 V HN 0.440 nan 8.190 nan 0.000 0.445 307 L N 0.006 121.293 121.223 0.107 0.000 2.131 307 L HA -0.203 4.137 4.340 0.000 0.000 0.210 307 L C 2.270 179.177 176.870 0.063 0.000 1.092 307 L CA 2.019 56.921 54.840 0.104 0.000 0.759 307 L CB -0.567 41.540 42.059 0.081 0.000 0.903 307 L HN 0.434 nan 8.230 nan 0.000 0.435 308 D N -0.913 119.518 120.400 0.051 0.000 2.234 308 D HA -0.142 4.498 4.640 0.000 0.000 0.205 308 D C 2.093 178.377 176.300 -0.026 0.000 0.962 308 D CA 0.961 54.968 54.000 0.012 0.000 0.855 308 D CB 0.314 41.126 40.800 0.020 0.000 0.951 308 D HN 0.305 nan 8.370 nan 0.000 0.500 309 Q N -0.886 118.912 119.800 -0.004 0.000 2.353 309 Q HA 0.326 4.666 4.340 0.000 0.000 0.240 309 Q C 1.969 177.935 176.000 -0.057 0.000 0.868 309 Q CA 0.375 56.166 55.803 -0.020 0.000 0.944 309 Q CB 0.537 29.295 28.738 0.032 0.000 1.104 309 Q HN 0.224 nan 8.270 nan 0.000 0.531 310 A N 1.848 124.635 122.820 -0.054 0.000 1.883 310 A HA -0.282 4.038 4.320 0.000 0.000 0.217 310 A C 1.920 179.359 177.584 -0.241 0.000 1.186 310 A CA 1.878 53.891 52.037 -0.040 0.000 0.624 310 A CB -0.460 18.630 19.000 0.150 0.000 0.822 310 A HN 0.397 nan 8.150 nan 0.000 0.444 311 E N -0.999 118.781 120.200 -0.700 0.000 2.051 311 E HA -0.162 4.188 4.350 0.000 0.000 0.192 311 E C 1.980 178.394 176.600 -0.311 0.000 0.991 311 E CA 1.678 57.604 56.400 -0.789 0.000 0.799 311 E CB -0.175 28.854 29.700 -1.120 0.000 0.748 311 E HN 0.547 nan 8.360 nan 0.000 0.449 312 T N 0.268 114.681 114.554 -0.235 0.000 2.833 312 T HA -0.087 4.263 4.350 0.000 0.000 0.269 312 T C 1.577 176.231 174.700 -0.077 0.000 1.054 312 T CA 1.083 63.108 62.100 -0.125 0.000 1.135 312 T CB -0.146 68.664 68.868 -0.097 0.000 0.869 312 T HN 0.282 nan 8.240 nan 0.000 0.466 313 A N 0.269 123.051 122.820 -0.063 0.000 2.235 313 A HA 0.506 4.827 4.320 0.000 0.000 0.208 313 A C 1.869 179.452 177.584 -0.001 0.000 1.172 313 A CA 0.774 52.803 52.037 -0.014 0.000 0.786 313 A CB -0.742 18.276 19.000 0.030 0.000 0.804 313 A HN 0.703 nan 8.150 nan 0.000 0.479 314 G N -2.142 106.647 108.800 -0.017 0.000 2.141 314 G HA2 0.105 4.065 3.960 0.000 0.000 0.242 314 G HA3 0.105 4.065 3.960 0.000 0.000 0.242 314 G C 0.391 175.321 174.900 0.050 0.000 0.982 314 G CA 0.242 45.347 45.100 0.008 0.000 0.662 314 G HN 1.548 nan 8.290 nan 0.000 0.527 315 A N -0.470 122.399 122.820 0.082 0.000 2.351 315 A HA 0.773 5.093 4.320 0.000 0.000 0.257 315 A C 1.225 178.941 177.584 0.220 0.000 1.087 315 A CA 0.621 52.744 52.037 0.143 0.000 0.798 315 A CB 0.394 19.504 19.000 0.183 0.000 1.033 315 A HN 0.410 nan 8.150 nan 0.000 0.488 316 R N -0.499 120.060 120.500 0.098 0.000 2.225 316 R HA 0.259 4.599 4.340 0.000 0.000 0.194 316 R C -0.749 175.466 176.300 -0.141 0.000 0.957 316 R CA 0.250 56.372 56.100 0.036 0.000 1.042 316 R CB 0.232 30.499 30.300 -0.055 0.000 1.004 316 R HN 0.548 nan 8.270 nan 0.000 0.509 317 L N 0.473 121.570 121.223 -0.211 0.000 2.464 317 L HA 0.403 4.743 4.340 0.000 0.000 0.266 317 L C -1.477 175.204 176.870 -0.314 0.000 0.965 317 L CA -0.737 53.877 54.840 -0.375 0.000 0.833 317 L CB 2.380 44.187 42.059 -0.420 0.000 1.296 317 L HN -0.322 nan 8.230 nan 0.000 0.405 318 V N 5.477 125.163 119.914 -0.379 0.000 2.417 318 V HA 0.564 4.685 4.120 0.000 0.000 0.291 318 V C -0.480 175.446 176.094 -0.280 0.000 1.024 318 V CA -0.641 61.508 62.300 -0.253 0.000 0.861 318 V CB 1.868 33.598 31.823 -0.155 0.000 0.985 318 V HN 0.519 nan 8.190 nan 0.000 0.436 319 V N 6.701 126.478 119.914 -0.229 0.000 2.370 319 V HA 0.426 4.546 4.120 0.000 0.000 0.283 319 V C -0.098 175.897 176.094 -0.165 0.000 1.023 319 V CA -0.501 61.682 62.300 -0.196 0.000 0.857 319 V CB 1.616 33.365 31.823 -0.123 0.000 0.985 319 V HN 0.632 nan 8.190 nan 0.000 0.443 320 L N 5.204 126.304 121.223 -0.206 0.000 2.270 320 L HA 0.692 5.032 4.340 0.000 0.000 0.286 320 L C 0.436 177.316 176.870 0.017 0.000 1.059 320 L CA -0.158 54.610 54.840 -0.121 0.000 0.839 320 L CB 0.930 42.843 42.059 -0.243 0.000 1.221 320 L HN 0.721 nan 8.230 nan 0.000 0.431 321 A N 2.634 125.483 122.820 0.049 0.000 2.304 321 A HA 0.821 5.141 4.320 0.000 0.000 0.323 321 A C -0.187 177.491 177.584 0.157 0.000 1.195 321 A CA -0.387 51.706 52.037 0.093 0.000 0.826 321 A CB 1.679 20.699 19.000 0.033 0.000 1.184 321 A HN 0.531 nan 8.150 nan 0.000 0.496 322 T N 0.145 114.823 114.554 0.207 0.000 2.886 322 T HA 0.504 4.854 4.350 0.000 0.000 0.330 322 T C 0.503 175.275 174.700 0.119 0.000 1.488 322 T CA 0.420 62.646 62.100 0.209 0.000 1.054 322 T CB 1.186 70.227 68.868 0.288 0.000 1.348 322 T HN 1.425 nan 8.240 nan 0.000 0.489 323 A N 1.501 124.346 122.820 0.042 0.000 2.132 323 A HA 0.325 4.645 4.320 0.000 0.000 0.213 323 A C 1.146 178.666 177.584 -0.107 0.000 1.154 323 A CA 1.264 53.289 52.037 -0.020 0.000 0.753 323 A CB -0.208 18.777 19.000 -0.024 0.000 0.826 323 A HN 1.164 nan 8.150 nan 0.000 0.469 324 T N -0.907 113.533 114.554 -0.191 0.000 3.410 324 T HA 0.472 4.822 4.350 0.000 0.000 0.328 324 T C -2.941 171.625 174.700 -0.224 0.000 1.567 324 T CA -1.903 60.044 62.100 -0.254 0.000 1.626 324 T CB 1.280 69.934 68.868 -0.357 0.000 0.939 324 T HN 0.102 nan 8.240 nan 0.000 0.656 325 P HA 0.336 nan 4.420 nan 0.000 0.274 325 P C -2.759 174.443 177.300 -0.164 0.000 1.256 325 P CA -1.658 61.281 63.100 -0.268 0.000 0.795 325 P CB -0.389 30.875 31.700 -0.727 0.000 1.038 326 P HA 0.019 nan 4.420 nan 0.000 0.262 326 P C 1.035 178.247 177.300 -0.146 0.000 1.182 326 P CA 1.671 64.719 63.100 -0.087 0.000 0.761 326 P CB -0.396 31.238 31.700 -0.110 0.000 0.795 327 G N 1.735 110.502 108.800 -0.055 0.000 2.175 327 G HA2 -0.233 3.727 3.960 0.000 0.000 0.244 327 G HA3 -0.233 3.727 3.960 0.000 0.000 0.244 327 G C 0.342 175.249 174.900 0.010 0.000 0.982 327 G CA 0.203 45.297 45.100 -0.011 0.000 0.641 327 G HN 0.794 nan 8.290 nan 0.000 0.527 328 S N -0.399 115.279 115.700 -0.037 0.000 2.592 328 S HA 0.747 5.217 4.470 0.000 0.000 0.271 328 S C 0.337 174.925 174.600 -0.021 0.000 1.326 328 S CA 0.143 58.312 58.200 -0.052 0.000 1.024 328 S CB 2.199 65.334 63.200 -0.108 0.000 0.921 328 S HN 1.868 nan 8.310 nan 0.000 0.527 329 V N -1.055 118.845 119.914 -0.024 0.000 2.914 329 V HA 0.710 4.830 4.120 0.000 0.000 0.314 329 V C -0.115 175.956 176.094 -0.038 0.000 1.084 329 V CA -0.942 61.346 62.300 -0.020 0.000 0.963 329 V CB 1.234 33.056 31.823 -0.001 0.000 1.025 329 V HN 0.921 nan 8.190 nan 0.000 0.432 330 T N 3.394 117.919 114.554 -0.049 0.000 2.884 330 T HA 0.581 4.932 4.350 0.000 0.000 0.298 330 T C 0.120 174.792 174.700 -0.047 0.000 0.998 330 T CA 0.021 62.083 62.100 -0.062 0.000 1.124 330 T CB 1.059 69.871 68.868 -0.093 0.000 0.931 330 T HN 1.384 nan 8.240 nan 0.000 0.531 331 V N 1.027 120.919 119.914 -0.038 0.000 3.113 331 V HA 0.784 4.905 4.120 0.000 0.000 0.316 331 V C -2.744 173.345 176.094 -0.008 0.000 1.125 331 V CA -2.899 59.388 62.300 -0.022 0.000 1.026 331 V CB 0.669 32.483 31.823 -0.017 0.000 1.080 331 V HN 0.561 nan 8.190 nan 0.000 0.444 332 P HA 0.242 nan 4.420 nan 0.000 0.267 332 P C -1.043 176.300 177.300 0.071 0.000 1.200 332 P CA 0.380 63.503 63.100 0.038 0.000 0.772 332 P CB 0.027 31.749 31.700 0.037 0.000 0.855 333 H N 3.197 122.260 119.070 -0.013 0.000 2.505 333 H HA 0.278 4.834 4.556 0.000 0.000 0.338 333 H C -1.999 173.336 175.328 0.010 0.000 1.057 333 H CA -2.413 53.630 56.048 -0.008 0.000 1.202 333 H CB 1.571 31.321 29.762 -0.020 0.000 1.466 333 H HN 0.171 nan 8.280 nan 0.000 0.499 334 P HA -0.126 nan 4.420 nan 0.000 0.218 334 P C 1.017 178.458 177.300 0.235 0.000 1.146 334 P CA 1.010 64.208 63.100 0.163 0.000 0.813 334 P CB 0.518 32.244 31.700 0.044 0.000 0.778 335 N N -1.063 117.898 118.700 0.435 0.000 2.373 335 N HA 0.096 4.836 4.740 0.000 0.000 0.181 335 N C 0.112 175.644 175.510 0.038 0.000 1.082 335 N CA 0.210 53.368 53.050 0.180 0.000 0.885 335 N CB 0.208 38.808 38.487 0.187 0.000 0.977 335 N HN 0.133 nan 8.380 nan 0.000 0.462 336 I N 0.925 121.508 120.570 0.022 0.000 2.382 336 I HA 0.210 4.380 4.170 0.000 0.000 0.286 336 I C -0.015 176.152 176.117 0.083 0.000 1.002 336 I CA -0.638 60.658 61.300 -0.007 0.000 1.135 336 I CB 2.055 39.977 38.000 -0.130 0.000 1.288 336 I HN -0.143 nan 8.210 nan 0.000 0.448 337 E N 6.525 126.787 120.200 0.104 0.000 2.227 337 E HA 0.249 4.600 4.350 0.000 0.000 0.282 337 E C -0.831 175.882 176.600 0.187 0.000 1.015 337 E CA -0.417 56.059 56.400 0.125 0.000 0.823 337 E CB 1.088 30.846 29.700 0.097 0.000 1.081 337 E HN 0.524 nan 8.360 nan 0.000 0.396 338 E N 2.883 123.223 120.200 0.233 0.000 2.092 338 E HA 0.290 4.640 4.350 0.000 0.000 0.271 338 E C -1.078 175.730 176.600 0.347 0.000 0.919 338 E CA -0.584 56.047 56.400 0.386 0.000 0.760 338 E CB 1.903 31.868 29.700 0.441 0.000 1.106 338 E HN 0.149 nan 8.360 nan 0.000 0.408 339 V N 2.614 122.648 119.914 0.200 0.000 2.350 339 V HA 0.353 4.473 4.120 0.000 0.000 0.285 339 V C 0.270 176.118 176.094 -0.410 0.000 1.014 339 V CA -0.911 61.375 62.300 -0.022 0.000 0.831 339 V CB 1.317 33.116 31.823 -0.041 0.000 1.000 339 V HN 0.794 nan 8.190 nan 0.000 0.433 340 A N 6.050 128.471 122.820 -0.664 0.000 2.546 340 A HA 0.451 4.771 4.320 0.000 0.000 0.243 340 A C 0.108 177.364 177.584 -0.546 0.000 1.063 340 A CA 0.017 51.368 52.037 -1.143 0.000 0.757 340 A CB -0.025 18.583 19.000 -0.654 0.000 0.991 340 A HN 0.830 nan 8.150 nan 0.000 0.503 341 L N 2.332 123.263 121.223 -0.485 0.000 2.464 341 L HA 0.326 4.666 4.340 0.000 0.000 0.264 341 L C 1.178 177.960 176.870 -0.146 0.000 1.199 341 L CA 0.149 54.852 54.840 -0.228 0.000 0.818 341 L CB 0.848 42.833 42.059 -0.123 0.000 1.102 341 L HN 0.995 nan 8.230 nan 0.000 0.473 342 S N -0.106 115.543 115.700 -0.084 0.000 2.874 342 S HA 0.355 4.825 4.470 0.000 0.000 0.318 342 S C 0.210 174.799 174.600 -0.018 0.000 1.109 342 S CA -0.821 57.351 58.200 -0.048 0.000 0.878 342 S CB 1.185 64.358 63.200 -0.045 0.000 1.307 342 S HN 0.566 nan 8.310 nan 0.000 0.592 343 N N 0.909 119.604 118.700 -0.009 0.000 2.422 343 N HA 0.117 4.857 4.740 0.000 0.000 0.181 343 N C -0.070 175.439 175.510 -0.002 0.000 1.080 343 N CA 0.698 53.749 53.050 0.002 0.000 0.893 343 N CB 0.112 38.602 38.487 0.004 0.000 0.973 343 N HN 0.799 nan 8.380 nan 0.000 0.456 344 T N -0.920 113.627 114.554 -0.012 0.000 2.737 344 T HA 0.659 5.009 4.350 0.000 0.000 0.296 344 T C 0.369 175.057 174.700 -0.019 0.000 0.922 344 T CA -0.525 61.566 62.100 -0.014 0.000 1.079 344 T CB 0.960 69.818 68.868 -0.017 0.000 0.892 344 T HN 0.140 nan 8.240 nan 0.000 0.514 345 G N 2.702 111.493 108.800 -0.015 0.000 2.384 345 G HA2 0.353 4.314 3.960 0.000 0.000 0.300 345 G HA3 0.353 4.314 3.960 0.000 0.000 0.300 345 G C -0.397 174.496 174.900 -0.011 0.000 1.582 345 G CA -0.837 44.251 45.100 -0.020 0.000 0.875 345 G HN 0.394 nan 8.290 nan 0.000 0.628 346 E N -0.569 119.620 120.200 -0.017 0.000 2.385 346 E HA 0.207 4.557 4.350 0.000 0.000 0.194 346 E C 0.876 177.475 176.600 -0.003 0.000 1.013 346 E CA 0.599 56.993 56.400 -0.011 0.000 0.866 346 E CB 0.315 30.005 29.700 -0.017 0.000 0.832 346 E HN 0.531 nan 8.360 nan 0.000 0.500 347 I N 1.530 122.100 120.570 0.001 0.000 2.382 347 I HA 0.314 4.485 4.170 0.000 0.000 0.286 347 I C -2.497 173.658 176.117 0.064 0.000 1.002 347 I CA -2.827 58.486 61.300 0.021 0.000 1.135 347 I CB 1.710 39.711 38.000 0.001 0.000 1.288 347 I HN -0.317 nan 8.210 nan 0.000 0.448 348 P HA 0.104 nan 4.420 nan 0.000 0.271 348 P C -0.963 176.444 177.300 0.178 0.000 1.226 348 P CA 0.232 63.383 63.100 0.085 0.000 0.765 348 P CB 0.186 31.905 31.700 0.032 0.000 0.835 349 F N 5.038 124.996 119.950 0.013 0.000 2.745 349 F HA 0.301 4.829 4.527 0.000 0.000 0.343 349 F C -0.577 175.324 175.800 0.168 0.000 1.196 349 F CA -0.694 57.353 58.000 0.078 0.000 1.021 349 F CB 0.498 39.566 39.000 0.114 0.000 1.297 349 F HN 0.280 nan 8.300 nan 0.000 0.486 350 Y N 4.193 124.264 120.300 -0.382 0.000 3.108 350 Y HA -0.164 4.386 4.550 0.000 0.000 0.208 350 Y C 1.447 177.270 175.900 -0.129 0.000 1.245 350 Y CA 1.342 59.246 58.100 -0.327 0.000 1.171 350 Y CB -1.162 36.978 38.460 -0.534 0.000 1.331 350 Y HN 1.120 nan 8.280 nan 0.000 0.534 351 G N -1.669 107.132 108.800 0.002 0.000 2.199 351 G HA2 -0.342 3.618 3.960 0.000 0.000 0.254 351 G HA3 -0.342 3.618 3.960 0.000 0.000 0.254 351 G C 0.520 175.450 174.900 0.050 0.000 0.982 351 G CA 0.706 45.820 45.100 0.023 0.000 0.632 351 G HN 0.473 nan 8.290 nan 0.000 0.529 352 K N -0.159 120.297 120.400 0.093 0.000 2.209 352 K HA 0.948 5.268 4.320 0.000 0.000 0.252 352 K C 0.020 176.692 176.600 0.119 0.000 1.062 352 K CA 0.282 56.627 56.287 0.096 0.000 1.003 352 K CB 1.343 33.907 32.500 0.105 0.000 1.495 352 K HN 1.026 nan 8.250 nan 0.000 0.641 353 A N 0.371 123.250 122.820 0.097 0.000 2.520 353 A HA 0.628 4.948 4.320 0.000 0.000 0.298 353 A C -1.413 176.183 177.584 0.021 0.000 1.051 353 A CA -0.634 51.447 52.037 0.073 0.000 0.690 353 A CB 0.668 19.686 19.000 0.031 0.000 1.281 353 A HN 0.498 nan 8.150 nan 0.000 0.402 354 I N 2.418 122.983 120.570 -0.009 0.000 2.312 354 I HA 0.306 4.476 4.170 0.000 0.000 0.290 354 I C -2.344 173.724 176.117 -0.082 0.000 1.008 354 I CA -2.163 59.080 61.300 -0.095 0.000 1.226 354 I CB 1.885 39.775 38.000 -0.184 0.000 1.371 354 I HN 0.315 nan 8.210 nan 0.000 0.468 355 P HA -0.041 nan 4.420 nan 0.000 0.258 355 P C 0.878 178.126 177.300 -0.087 0.000 1.187 355 P CA 0.066 63.122 63.100 -0.073 0.000 0.767 355 P CB 0.460 32.116 31.700 -0.073 0.000 0.770 356 I N 5.147 125.677 120.570 -0.066 0.000 2.399 356 I HA -0.269 3.901 4.170 0.000 0.000 0.254 356 I C 1.730 177.802 176.117 -0.074 0.000 1.146 356 I CA 1.671 62.930 61.300 -0.067 0.000 1.412 356 I CB -0.567 37.408 38.000 -0.042 0.000 1.076 356 I HN 0.415 nan 8.210 nan 0.000 0.432 357 E N 0.213 120.374 120.200 -0.064 0.000 2.427 357 E HA -0.066 4.284 4.350 0.000 0.000 0.196 357 E C 1.839 178.391 176.600 -0.079 0.000 1.028 357 E CA 0.870 57.237 56.400 -0.055 0.000 0.864 357 E CB -0.344 29.334 29.700 -0.037 0.000 0.813 357 E HN 0.550 nan 8.360 nan 0.000 0.514 358 A N 1.928 124.673 122.820 -0.125 0.000 2.081 358 A HA 0.118 4.438 4.320 0.000 0.000 0.214 358 A C 2.077 179.435 177.584 -0.377 0.000 1.158 358 A CA 0.529 52.457 52.037 -0.181 0.000 0.724 358 A CB -0.390 18.504 19.000 -0.177 0.000 0.826 358 A HN 0.445 nan 8.150 nan 0.000 0.463 359 I N -3.178 117.176 120.570 -0.361 0.000 4.147 359 I HA 0.225 4.395 4.170 0.000 0.000 0.329 359 I C 1.568 177.594 176.117 -0.151 0.000 1.424 359 I CA -0.085 60.900 61.300 -0.525 0.000 1.127 359 I CB 0.227 38.001 38.000 -0.376 0.000 1.128 359 I HN 0.124 nan 8.210 nan 0.000 0.417 360 R N 2.696 123.151 120.500 -0.075 0.000 2.070 360 R HA 0.177 4.518 4.340 0.000 0.000 0.232 360 R C 1.226 177.559 176.300 0.055 0.000 1.138 360 R CA 1.319 57.416 56.100 -0.004 0.000 0.936 360 R CB -1.547 28.746 30.300 -0.010 0.000 0.839 360 R HN 0.290 nan 8.270 nan 0.000 0.429 361 G N -0.670 108.182 108.800 0.087 0.000 2.343 361 G HA2 0.553 4.513 3.960 0.000 0.000 0.319 361 G HA3 0.553 4.513 3.960 0.000 0.000 0.319 361 G C -0.081 174.935 174.900 0.192 0.000 1.126 361 G CA -0.208 44.956 45.100 0.106 0.000 0.889 361 G HN 0.638 nan 8.290 nan 0.000 0.457 362 G N 1.397 110.261 108.800 0.106 0.000 2.384 362 G HA2 -0.019 3.941 3.960 0.000 0.000 0.204 362 G HA3 -0.019 3.941 3.960 0.000 0.000 0.204 362 G C -0.676 174.184 174.900 -0.065 0.000 1.237 362 G CA -0.955 44.143 45.100 -0.004 0.000 1.060 362 G HN 0.824 nan 8.290 nan 0.000 0.514 363 R N 0.443 120.771 120.500 -0.287 0.000 2.480 363 R HA 0.654 4.994 4.340 0.000 0.000 0.306 363 R C -0.902 175.234 176.300 -0.274 0.000 0.958 363 R CA -0.837 55.187 56.100 -0.127 0.000 0.861 363 R CB 1.667 31.939 30.300 -0.047 0.000 1.171 363 R HN 0.641 nan 8.270 nan 0.000 0.445 364 H N 1.938 121.138 119.070 0.215 0.000 2.928 364 H HA 0.390 4.946 4.556 0.000 0.000 0.371 364 H C -1.307 173.825 175.328 -0.327 0.000 1.186 364 H CA -0.970 55.098 56.048 0.034 0.000 1.134 364 H CB 2.630 32.369 29.762 -0.038 0.000 1.824 364 H HN 0.199 nan 8.280 nan 0.000 0.554 365 L N 2.649 123.624 121.223 -0.412 0.000 2.356 365 L HA 0.485 4.825 4.340 0.000 0.000 0.277 365 L C -1.220 175.379 176.870 -0.451 0.000 0.996 365 L CA -0.358 54.023 54.840 -0.765 0.000 0.822 365 L CB 0.863 42.181 42.059 -1.235 0.000 1.256 365 L HN 0.485 nan 8.230 nan 0.000 0.413 366 I N 5.378 125.700 120.570 -0.413 0.000 2.382 366 I HA 0.307 4.477 4.170 0.000 0.000 0.286 366 I C -0.982 175.033 176.117 -0.169 0.000 1.002 366 I CA -0.419 60.745 61.300 -0.226 0.000 1.135 366 I CB 1.235 39.145 38.000 -0.150 0.000 1.288 366 I HN 0.434 nan 8.210 nan 0.000 0.448 367 F N 5.100 125.115 119.950 0.108 0.000 2.424 367 F HA 0.330 4.857 4.527 0.000 0.000 0.356 367 F C 0.446 176.388 175.800 0.237 0.000 1.110 367 F CA -0.169 57.921 58.000 0.150 0.000 1.161 367 F CB 0.835 39.911 39.000 0.126 0.000 1.115 367 F HN 0.388 nan 8.300 nan 0.000 0.507 368 C N 3.388 122.929 119.300 0.401 0.000 2.562 368 C HA 0.247 4.708 4.460 0.000 0.000 0.332 368 C C 1.815 176.975 174.990 0.283 0.000 1.201 368 C CA -0.598 58.647 59.018 0.379 0.000 1.803 368 C CB 1.416 29.381 27.740 0.375 0.000 2.328 368 C HN 0.933 nan 8.230 nan 0.000 0.500 369 H N 0.607 119.799 119.070 0.203 0.000 2.462 369 H HA 0.003 4.560 4.556 0.000 0.000 0.292 369 H C 0.594 175.995 175.328 0.122 0.000 1.049 369 H CA 1.556 57.683 56.048 0.133 0.000 1.334 369 H CB 0.042 29.872 29.762 0.113 0.000 1.404 369 H HN 0.632 nan 8.280 nan 0.000 0.544 370 S N -0.648 114.726 115.700 -0.543 0.000 2.632 370 S HA 0.292 4.762 4.470 0.000 0.000 0.289 370 S C 0.898 175.348 174.600 -0.251 0.000 1.115 370 S CA -0.612 57.327 58.200 -0.435 0.000 0.889 370 S CB 3.280 66.096 63.200 -0.641 0.000 1.116 370 S HN 0.301 nan 8.310 nan 0.000 0.486 371 K N 1.567 121.783 120.400 -0.307 0.000 2.026 371 K HA -0.138 4.182 4.320 0.000 0.000 0.208 371 K C 2.000 178.406 176.600 -0.324 0.000 1.048 371 K CA 1.716 57.691 56.287 -0.522 0.000 0.929 371 K CB -0.468 31.454 32.500 -0.963 0.000 0.713 371 K HN 0.745 nan 8.250 nan 0.000 0.439 372 K N 0.558 120.806 120.400 -0.254 0.000 2.074 372 K HA -0.225 4.095 4.320 0.000 0.000 0.209 372 K C 2.069 178.616 176.600 -0.088 0.000 1.048 372 K CA 1.751 57.951 56.287 -0.145 0.000 0.926 372 K CB -0.227 32.207 32.500 -0.111 0.000 0.713 372 K HN -0.007 nan 8.250 nan 0.000 0.444 373 K N 1.167 121.501 120.400 -0.110 0.000 2.155 373 K HA 0.012 4.332 4.320 0.000 0.000 0.203 373 K C 1.862 178.485 176.600 0.039 0.000 1.052 373 K CA 1.225 57.487 56.287 -0.041 0.000 0.948 373 K CB -0.312 32.163 32.500 -0.042 0.000 0.728 373 K HN 0.310 nan 8.250 nan 0.000 0.448 374 C N 1.042 120.376 119.300 0.057 0.000 2.446 374 C HA -0.044 4.416 4.460 0.000 0.000 0.277 374 C C 2.018 177.086 174.990 0.131 0.000 1.275 374 C CA 0.814 59.915 59.018 0.138 0.000 1.727 374 C CB -0.730 27.156 27.740 0.243 0.000 2.010 374 C HN 0.553 nan 8.230 nan 0.000 0.486 375 D N 0.660 121.129 120.400 0.116 0.000 2.097 375 D HA -0.110 4.530 4.640 0.000 0.000 0.195 375 D C 2.112 178.446 176.300 0.057 0.000 0.989 375 D CA 1.212 55.273 54.000 0.102 0.000 0.827 375 D CB -0.454 40.389 40.800 0.071 0.000 0.966 375 D HN 0.607 nan 8.370 nan 0.000 0.456 376 E N 0.060 120.280 120.200 0.034 0.000 2.017 376 E HA -0.165 4.185 4.350 0.000 0.000 0.193 376 E C 2.076 178.697 176.600 0.036 0.000 0.997 376 E CA 0.472 56.886 56.400 0.023 0.000 0.804 376 E CB -0.164 29.537 29.700 0.003 0.000 0.757 376 E HN 0.084 nan 8.360 nan 0.000 0.448 377 L N 1.003 122.259 121.223 0.055 0.000 2.131 377 L HA -0.113 4.227 4.340 0.000 0.000 0.210 377 L C 2.081 178.984 176.870 0.054 0.000 1.092 377 L CA 1.781 56.664 54.840 0.072 0.000 0.759 377 L CB -0.617 41.521 42.059 0.131 0.000 0.903 377 L HN 0.058 nan 8.230 nan 0.000 0.435 378 A N -0.299 122.553 122.820 0.054 0.000 1.845 378 A HA -0.114 4.207 4.320 0.000 0.000 0.215 378 A C 2.497 180.099 177.584 0.029 0.000 1.195 378 A CA 1.971 54.031 52.037 0.039 0.000 0.616 378 A CB -1.313 17.715 19.000 0.047 0.000 0.832 378 A HN 0.548 nan 8.150 nan 0.000 0.443 379 A N -0.199 122.640 122.820 0.031 0.000 1.917 379 A HA -0.216 4.104 4.320 0.000 0.000 0.219 379 A C 1.966 179.561 177.584 0.018 0.000 1.182 379 A CA 2.414 54.465 52.037 0.023 0.000 0.633 379 A CB -0.444 18.569 19.000 0.022 0.000 0.819 379 A HN 0.424 nan 8.150 nan 0.000 0.448 380 K N -0.449 119.962 120.400 0.020 0.000 2.643 380 K HA 0.134 4.454 4.320 0.000 0.000 0.193 380 K C 0.823 177.430 176.600 0.012 0.000 1.027 380 K CA 0.751 57.047 56.287 0.016 0.000 1.033 380 K CB -0.438 32.074 32.500 0.021 0.000 0.827 380 K HN 0.561 nan 8.250 nan 0.000 0.500 381 L N -2.364 118.866 121.223 0.011 0.000 2.953 381 L HA 0.139 4.480 4.340 0.000 0.000 0.258 381 L C 1.439 178.312 176.870 0.006 0.000 1.100 381 L CA 0.013 54.857 54.840 0.006 0.000 0.971 381 L CB 0.263 42.324 42.059 0.004 0.000 1.474 381 L HN -0.040 nan 8.230 nan 0.000 0.540 382 S N 0.384 116.090 115.700 0.009 0.000 2.436 382 S HA -0.001 4.470 4.470 0.000 0.000 0.228 382 S C 1.785 176.389 174.600 0.007 0.000 1.014 382 S CA 1.211 59.416 58.200 0.008 0.000 0.950 382 S CB 0.065 63.271 63.200 0.010 0.000 0.784 382 S HN 0.532 nan 8.310 nan 0.000 0.504 383 G N 0.599 109.403 108.800 0.007 0.000 2.719 383 G HA2 0.123 4.083 3.960 0.000 0.000 0.211 383 G HA3 0.123 4.083 3.960 0.000 0.000 0.211 383 G C 1.074 175.977 174.900 0.004 0.000 1.140 383 G CA -0.165 44.938 45.100 0.006 0.000 0.790 383 G HN 0.455 nan 8.290 nan 0.000 0.529 384 L N 0.468 121.693 121.223 0.004 0.000 2.591 384 L HA 0.411 4.751 4.340 0.000 0.000 0.228 384 L C 1.276 178.146 176.870 0.000 0.000 1.133 384 L CA 0.764 55.605 54.840 0.001 0.000 0.880 384 L CB 0.083 42.142 42.059 -0.000 0.000 1.033 384 L HN 0.236 nan 8.230 nan 0.000 0.450 385 G N 1.253 110.054 108.800 0.002 0.000 2.414 385 G HA2 -0.203 3.757 3.960 0.000 0.000 0.256 385 G HA3 -0.203 3.757 3.960 0.000 0.000 0.256 385 G C -0.609 174.293 174.900 0.003 0.000 1.128 385 G CA 0.197 45.298 45.100 0.002 0.000 0.944 385 G HN 0.291 nan 8.290 nan 0.000 0.500 386 I N -1.230 119.343 120.570 0.004 0.000 2.752 386 I HA 0.416 4.587 4.170 0.000 0.000 0.295 386 I C -0.243 175.880 176.117 0.009 0.000 1.219 386 I CA -1.579 59.725 61.300 0.007 0.000 1.030 386 I CB 1.837 39.839 38.000 0.004 0.000 1.259 386 I HN 0.071 nan 8.210 nan 0.000 0.423 387 N N 3.306 122.013 118.700 0.013 0.000 2.452 387 N HA 0.662 5.403 4.740 0.000 0.000 0.266 387 N C -1.011 174.506 175.510 0.012 0.000 1.175 387 N CA 0.231 53.287 53.050 0.011 0.000 0.945 387 N CB 0.647 39.141 38.487 0.013 0.000 1.063 387 N HN 0.885 nan 8.380 nan 0.000 0.472 388 A N 2.575 125.398 122.820 0.005 0.000 2.517 388 A HA 0.611 4.931 4.320 0.000 0.000 0.297 388 A C -1.460 176.121 177.584 -0.005 0.000 1.050 388 A CA -0.672 51.365 52.037 0.000 0.000 0.694 388 A CB 1.350 20.351 19.000 0.001 0.000 1.277 388 A HN 0.478 nan 8.150 nan 0.000 0.400 389 V N 1.249 121.153 119.914 -0.017 0.000 2.962 389 V HA 0.877 4.997 4.120 0.000 0.000 0.313 389 V C 0.059 176.135 176.094 -0.030 0.000 1.099 389 V CA -0.006 62.280 62.300 -0.024 0.000 0.971 389 V CB 1.957 33.760 31.823 -0.034 0.000 1.028 389 V HN 1.952 nan 8.190 nan 0.000 0.430 390 A N 4.840 127.636 122.820 -0.040 0.000 2.306 390 A HA 0.780 5.100 4.320 0.000 0.000 0.314 390 A C -1.465 176.006 177.584 -0.189 0.000 1.164 390 A CA -0.362 51.645 52.037 -0.050 0.000 0.822 390 A CB 0.754 19.783 19.000 0.048 0.000 1.130 390 A HN 1.224 nan 8.150 nan 0.000 0.496 391 Y N 2.572 122.703 120.300 -0.281 0.000 2.406 391 Y HA 0.630 5.180 4.550 0.000 0.000 0.340 391 Y C -1.196 174.574 175.900 -0.217 0.000 0.975 391 Y CA -0.723 57.158 58.100 -0.364 0.000 1.056 391 Y CB 1.511 39.841 38.460 -0.216 0.000 1.210 391 Y HN 0.828 nan 8.280 nan 0.000 0.448 392 Y N 2.062 121.864 120.300 -0.830 0.000 2.750 392 Y HA 0.470 5.021 4.550 0.000 0.000 0.335 392 Y C -0.886 174.662 175.900 -0.585 0.000 1.252 392 Y CA -2.084 55.702 58.100 -0.524 0.000 1.064 392 Y CB 0.518 38.854 38.460 -0.206 0.000 1.321 392 Y HN 0.678 nan 8.280 nan 0.000 0.451 393 R N 0.667 121.154 120.500 -0.022 0.000 2.566 393 R HA 0.316 4.656 4.340 0.000 0.000 0.273 393 R C 1.096 177.412 176.300 0.027 0.000 0.981 393 R CA 2.359 58.446 56.100 -0.022 0.000 1.091 393 R CB -0.387 29.925 30.300 0.021 0.000 0.924 393 R HN 1.460 nan 8.270 nan 0.000 0.411 394 G N 3.039 111.831 108.800 -0.014 0.000 2.254 394 G HA2 -0.245 3.715 3.960 0.000 0.000 0.225 394 G HA3 -0.245 3.715 3.960 0.000 0.000 0.225 394 G C 0.036 174.926 174.900 -0.016 0.000 1.003 394 G CA -0.003 45.108 45.100 0.019 0.000 0.622 394 G HN 0.463 nan 8.290 nan 0.000 0.507 395 L N 0.995 122.139 121.223 -0.132 0.000 2.399 395 L HA 0.587 4.928 4.340 0.000 0.000 0.265 395 L C 0.342 177.210 176.870 -0.003 0.000 1.089 395 L CA -0.708 54.048 54.840 -0.140 0.000 0.802 395 L CB 1.179 43.022 42.059 -0.360 0.000 1.180 395 L HN 0.292 nan 8.230 nan 0.000 0.454 396 D N -0.141 120.293 120.400 0.057 0.000 2.256 396 D HA 0.078 4.718 4.640 0.000 0.000 0.250 396 D C 0.738 177.159 176.300 0.201 0.000 1.093 396 D CA -0.370 53.700 54.000 0.116 0.000 0.882 396 D CB 1.862 42.701 40.800 0.065 0.000 1.185 396 D HN 0.278 nan 8.370 nan 0.000 0.437 397 V N 3.274 123.310 119.914 0.203 0.000 2.568 397 V HA -0.199 3.921 4.120 0.000 0.000 0.253 397 V C 1.807 177.918 176.094 0.029 0.000 1.072 397 V CA 2.609 64.967 62.300 0.096 0.000 1.084 397 V CB -0.756 31.102 31.823 0.059 0.000 0.676 397 V HN 0.754 nan 8.190 nan 0.000 0.469 398 S N 0.124 115.852 115.700 0.047 0.000 2.507 398 S HA -0.116 4.354 4.470 0.000 0.000 0.235 398 S C 1.878 176.483 174.600 0.008 0.000 0.988 398 S CA 1.297 59.513 58.200 0.025 0.000 0.944 398 S CB -0.572 62.643 63.200 0.026 0.000 0.762 398 S HN 0.981 nan 8.310 nan 0.000 0.526 399 V N -0.425 119.499 119.914 0.017 0.000 2.720 399 V HA 0.234 4.354 4.120 0.000 0.000 0.256 399 V C 1.001 177.073 176.094 -0.036 0.000 1.082 399 V CA 0.615 62.915 62.300 -0.000 0.000 1.101 399 V CB -1.100 30.729 31.823 0.009 0.000 0.693 399 V HN 0.558 nan 8.190 nan 0.000 0.479 400 I N 2.899 123.417 120.570 -0.087 0.000 2.337 400 I HA 0.332 4.502 4.170 0.000 0.000 0.291 400 I C -2.180 173.880 176.117 -0.094 0.000 1.046 400 I CA -1.822 59.377 61.300 -0.168 0.000 1.324 400 I CB 0.926 38.655 38.000 -0.451 0.000 1.409 400 I HN 0.172 nan 8.210 nan 0.000 0.494 401 P HA 0.069 nan 4.420 nan 0.000 0.271 401 P C 0.777 178.069 177.300 -0.013 0.000 1.216 401 P CA -0.183 62.903 63.100 -0.024 0.000 0.776 401 P CB 0.678 32.368 31.700 -0.017 0.000 0.881 402 T N -0.172 114.387 114.554 0.010 0.000 3.051 402 T HA 0.180 4.530 4.350 0.000 0.000 0.255 402 T C 0.885 175.569 174.700 -0.026 0.000 1.085 402 T CA 0.210 62.321 62.100 0.018 0.000 1.109 402 T CB -0.493 68.392 68.868 0.028 0.000 0.921 402 T HN 0.438 nan 8.240 nan 0.000 0.488 403 I N -1.814 118.743 120.570 -0.023 0.000 2.846 403 I HA 0.810 4.980 4.170 0.000 0.000 0.307 403 I C 0.291 176.394 176.117 -0.022 0.000 1.053 403 I CA -0.979 60.304 61.300 -0.029 0.000 1.050 403 I CB 1.696 39.682 38.000 -0.024 0.000 1.239 403 I HN 0.356 nan 8.210 nan 0.000 0.439 404 G N 2.632 111.418 108.800 -0.023 0.000 2.690 404 G HA2 -0.124 3.836 3.960 0.000 0.000 0.686 404 G HA3 -0.124 3.836 3.960 0.000 0.000 0.686 404 G C -1.215 173.680 174.900 -0.009 0.000 1.277 404 G CA -0.773 44.319 45.100 -0.013 0.000 0.799 404 G HN 0.901 nan 8.290 nan 0.000 0.613 405 D N -0.799 119.602 120.400 0.002 0.000 2.424 405 D HA 0.527 5.167 4.640 0.000 0.000 0.244 405 D C 0.436 176.754 176.300 0.029 0.000 1.134 405 D CA 0.981 54.991 54.000 0.016 0.000 0.881 405 D CB 1.695 42.511 40.800 0.026 0.000 1.191 405 D HN 1.021 nan 8.370 nan 0.000 0.445 406 V N 2.261 122.206 119.914 0.052 0.000 3.177 406 V HA 0.337 4.458 4.120 0.000 0.000 0.287 406 V C -1.579 174.575 176.094 0.099 0.000 1.465 406 V CA -0.644 61.692 62.300 0.061 0.000 1.020 406 V CB 2.353 34.205 31.823 0.049 0.000 1.152 406 V HN 0.217 nan 8.190 nan 0.000 0.448 407 V N 5.614 125.564 119.914 0.061 0.000 2.350 407 V HA 0.497 4.617 4.120 0.000 0.000 0.285 407 V C -0.237 175.833 176.094 -0.040 0.000 1.014 407 V CA -0.565 61.756 62.300 0.035 0.000 0.831 407 V CB 1.710 33.543 31.823 0.016 0.000 1.000 407 V HN 0.645 nan 8.190 nan 0.000 0.433 408 V N 6.026 125.861 119.914 -0.132 0.000 2.432 408 V HA 0.395 4.515 4.120 0.000 0.000 0.275 408 V C -0.010 175.943 176.094 -0.234 0.000 1.043 408 V CA -0.394 61.785 62.300 -0.201 0.000 0.925 408 V CB 1.773 33.402 31.823 -0.324 0.000 0.985 408 V HN 0.597 nan 8.190 nan 0.000 0.466 409 V N 4.775 124.615 119.914 -0.124 0.000 2.350 409 V HA 0.846 4.967 4.120 0.000 0.000 0.285 409 V C 0.226 176.318 176.094 -0.004 0.000 1.014 409 V CA -0.219 62.043 62.300 -0.063 0.000 0.831 409 V CB 1.121 32.957 31.823 0.021 0.000 1.000 409 V HN 1.023 nan 8.190 nan 0.000 0.433 410 A N 3.440 126.240 122.820 -0.033 0.000 2.556 410 A HA 0.928 5.248 4.320 0.000 0.000 0.294 410 A C 0.080 177.795 177.584 0.218 0.000 1.091 410 A CA -0.221 51.870 52.037 0.090 0.000 0.704 410 A CB 1.932 20.960 19.000 0.047 0.000 1.300 410 A HN 0.796 nan 8.150 nan 0.000 0.406 411 T N -1.572 113.153 114.554 0.285 0.000 2.771 411 T HA 0.288 4.638 4.350 0.000 0.000 0.290 411 T C 0.170 175.114 174.700 0.407 0.000 1.005 411 T CA 0.242 62.526 62.100 0.307 0.000 0.944 411 T CB 0.283 69.271 68.868 0.201 0.000 1.147 411 T HN 0.424 nan 8.240 nan 0.000 0.534 412 D N 0.083 120.669 120.400 0.310 0.000 2.378 412 D HA 0.045 4.686 4.640 0.000 0.000 0.222 412 D C 2.187 178.646 176.300 0.265 0.000 0.980 412 D CA 0.918 55.079 54.000 0.269 0.000 0.907 412 D CB -0.589 40.280 40.800 0.116 0.000 0.899 412 D HN 0.704 nan 8.370 nan 0.000 0.527 413 A N 0.800 123.775 122.820 0.259 0.000 2.084 413 A HA -0.187 4.133 4.320 0.000 0.000 0.221 413 A C 2.160 179.997 177.584 0.422 0.000 1.161 413 A CA 0.781 52.980 52.037 0.270 0.000 0.653 413 A CB -0.607 18.505 19.000 0.185 0.000 0.802 413 A HN 0.285 nan 8.150 nan 0.000 0.457 414 L N -0.533 120.969 121.223 0.465 0.000 2.042 414 L HA -0.211 4.129 4.340 0.000 0.000 0.210 414 L C 2.502 179.545 176.870 0.287 0.000 1.076 414 L CA 2.030 57.087 54.840 0.362 0.000 0.749 414 L CB -0.318 41.920 42.059 0.298 0.000 0.893 414 L HN 0.422 nan 8.230 nan 0.000 0.432 415 M N -1.152 118.623 119.600 0.291 0.000 2.202 415 M HA -0.143 4.337 4.480 0.000 0.000 0.262 415 M C 1.885 178.276 176.300 0.152 0.000 1.063 415 M CA 2.095 57.525 55.300 0.218 0.000 1.097 415 M CB -1.541 31.164 32.600 0.175 0.000 1.382 415 M HN 0.578 nan 8.290 nan 0.000 0.413 416 T N -4.188 110.457 114.554 0.151 0.000 3.023 416 T HA 0.307 4.657 4.350 0.000 0.000 0.253 416 T C 1.604 176.362 174.700 0.098 0.000 1.038 416 T CA 0.498 62.659 62.100 0.101 0.000 0.962 416 T CB 0.047 68.969 68.868 0.090 0.000 1.018 416 T HN 0.401 nan 8.240 nan 0.000 0.521 417 G N -0.291 108.599 108.800 0.151 0.000 2.762 417 G HA2 0.332 4.292 3.960 0.000 0.000 0.209 417 G HA3 0.332 4.292 3.960 0.000 0.000 0.209 417 G C -0.309 174.629 174.900 0.063 0.000 1.134 417 G CA -0.229 44.953 45.100 0.137 0.000 0.781 417 G HN 0.538 nan 8.290 nan 0.000 0.528 418 Y N 0.640 120.879 120.300 -0.103 0.000 2.441 418 Y HA 0.397 4.947 4.550 0.000 0.000 0.334 418 Y C 0.955 176.822 175.900 -0.055 0.000 1.061 418 Y CA -0.400 57.622 58.100 -0.129 0.000 1.032 418 Y CB 1.775 40.100 38.460 -0.224 0.000 1.266 418 Y HN 0.043 nan 8.280 nan 0.000 0.441 419 T N 0.578 114.751 114.554 -0.635 0.000 3.044 419 T HA 0.329 4.680 4.350 0.000 0.000 0.250 419 T C 0.945 175.390 174.700 -0.424 0.000 1.081 419 T CA 0.401 62.254 62.100 -0.411 0.000 1.040 419 T CB -0.146 68.519 68.868 -0.338 0.000 0.962 419 T HN 0.783 nan 8.240 nan 0.000 0.506 420 G N 2.107 110.395 108.800 -0.854 0.000 2.684 420 G HA2 0.447 4.407 3.960 0.000 0.000 0.255 420 G HA3 0.447 4.407 3.960 0.000 0.000 0.255 420 G C -0.540 174.313 174.900 -0.079 0.000 1.219 420 G CA -0.325 44.515 45.100 -0.434 0.000 0.901 420 G HN 0.618 nan 8.290 nan 0.000 0.548 421 D N -1.824 118.466 120.400 -0.184 0.000 2.497 421 D HA 0.644 5.284 4.640 0.000 0.000 0.243 421 D C -1.314 174.786 176.300 -0.334 0.000 1.039 421 D CA -0.537 53.439 54.000 -0.039 0.000 1.052 421 D CB 1.860 42.663 40.800 0.005 0.000 1.344 421 D HN 0.200 nan 8.370 nan 0.000 0.553 422 F N -0.758 119.205 119.950 0.022 0.000 2.629 422 F HA 0.198 4.725 4.527 0.000 0.000 0.316 422 F C 1.170 176.939 175.800 -0.051 0.000 1.081 422 F CA -0.879 57.104 58.000 -0.029 0.000 0.954 422 F CB 1.565 40.548 39.000 -0.029 0.000 1.337 422 F HN 0.122 nan 8.300 nan 0.000 0.474 423 D N 0.102 120.526 120.400 0.041 0.000 2.117 423 D HA -0.054 4.586 4.640 0.000 0.000 0.197 423 D C 0.557 176.918 176.300 0.101 0.000 0.987 423 D CA 1.630 55.614 54.000 -0.027 0.000 0.829 423 D CB 0.033 40.691 40.800 -0.236 0.000 0.961 423 D HN 0.384 nan 8.370 nan 0.000 0.460 424 S N -1.344 114.474 115.700 0.196 0.000 2.596 424 S HA 0.554 5.024 4.470 0.000 0.000 0.270 424 S C -1.053 173.673 174.600 0.211 0.000 1.155 424 S CA -0.975 57.371 58.200 0.244 0.000 0.827 424 S CB 2.372 65.733 63.200 0.269 0.000 1.130 424 S HN -0.167 nan 8.310 nan 0.000 0.467 425 V N 1.877 121.909 119.914 0.198 0.000 2.540 425 V HA 0.554 4.674 4.120 0.000 0.000 0.302 425 V C -0.731 175.410 176.094 0.078 0.000 1.035 425 V CA -0.658 61.750 62.300 0.179 0.000 0.873 425 V CB 1.415 33.474 31.823 0.393 0.000 0.992 425 V HN 0.867 nan 8.190 nan 0.000 0.428 426 I N 3.771 124.327 120.570 -0.022 0.000 2.378 426 I HA 0.481 4.651 4.170 0.000 0.000 0.291 426 I C -0.909 175.231 176.117 0.040 0.000 0.992 426 I CA -0.370 60.846 61.300 -0.140 0.000 1.154 426 I CB 1.887 39.682 38.000 -0.342 0.000 1.315 426 I HN 0.497 nan 8.210 nan 0.000 0.448 427 D N 4.868 125.302 120.400 0.058 0.000 2.502 427 D HA 0.225 4.865 4.640 0.000 0.000 0.249 427 D C 0.665 177.138 176.300 0.288 0.000 1.092 427 D CA -0.659 53.491 54.000 0.250 0.000 0.839 427 D CB 1.917 42.862 40.800 0.242 0.000 1.264 427 D HN 0.718 nan 8.370 nan 0.000 0.511 428 C N 2.404 121.830 119.300 0.209 0.000 2.472 428 C HA 0.141 4.601 4.460 0.000 0.000 0.278 428 C C 0.991 175.851 174.990 -0.217 0.000 1.447 428 C CA -0.039 58.804 59.018 -0.292 0.000 1.773 428 C CB -1.673 25.319 27.740 -1.246 0.000 1.793 428 C HN 0.847 nan 8.230 nan 0.000 0.544 429 N N 0.795 119.477 118.700 -0.029 0.000 2.753 429 N HA -0.171 4.569 4.740 0.000 0.000 0.251 429 N C -0.014 175.464 175.510 -0.054 0.000 1.097 429 N CA 1.238 54.289 53.050 0.002 0.000 0.786 429 N CB -1.791 36.732 38.487 0.060 0.000 1.137 429 N HN 0.932 nan 8.380 nan 0.000 0.566 430 T N -3.754 110.733 114.554 -0.111 0.000 2.916 430 T HA 0.813 5.163 4.350 0.000 0.000 0.292 430 T C -0.365 174.329 174.700 -0.010 0.000 1.055 430 T CA -0.737 61.317 62.100 -0.078 0.000 1.009 430 T CB 2.401 71.188 68.868 -0.135 0.000 1.118 430 T HN 0.128 nan 8.240 nan 0.000 0.497 431 C N 1.129 120.443 119.300 0.023 0.000 2.898 431 C HA 0.733 5.193 4.460 0.000 0.000 0.304 431 C C -0.018 175.026 174.990 0.090 0.000 1.237 431 C CA -0.777 58.281 59.018 0.066 0.000 1.529 431 C CB 1.829 29.593 27.740 0.039 0.000 2.021 431 C HN 0.905 nan 8.230 nan 0.000 0.474 432 V N 2.149 122.137 119.914 0.124 0.000 2.498 432 V HA 0.615 4.735 4.120 0.000 0.000 0.279 432 V C 0.451 176.596 176.094 0.084 0.000 1.048 432 V CA 0.494 62.866 62.300 0.120 0.000 0.967 432 V CB 1.486 33.392 31.823 0.140 0.000 0.988 432 V HN 0.994 nan 8.190 nan 0.000 0.473 433 T N 4.316 118.917 114.554 0.079 0.000 2.883 433 T HA 0.522 4.872 4.350 0.000 0.000 0.296 433 T C -1.069 173.684 174.700 0.089 0.000 1.117 433 T CA -0.544 61.602 62.100 0.076 0.000 1.006 433 T CB 1.898 70.808 68.868 0.069 0.000 1.191 433 T HN 0.728 nan 8.240 nan 0.000 0.508 434 Q N 1.409 121.272 119.800 0.104 0.000 2.337 434 Q HA 0.630 4.970 4.340 0.000 0.000 0.266 434 Q C -0.899 175.177 176.000 0.126 0.000 1.023 434 Q CA -0.883 55.001 55.803 0.134 0.000 0.829 434 Q CB 2.114 30.972 28.738 0.200 0.000 1.306 434 Q HN 0.781 nan 8.270 nan 0.000 0.449 435 T N -1.866 112.753 114.554 0.108 0.000 2.916 435 T HA 0.506 4.856 4.350 0.000 0.000 0.298 435 T C -0.806 173.932 174.700 0.064 0.000 1.031 435 T CA -0.757 61.391 62.100 0.080 0.000 0.993 435 T CB 1.508 70.402 68.868 0.044 0.000 1.045 435 T HN 0.359 nan 8.240 nan 0.000 0.454 436 V N 2.032 121.968 119.914 0.038 0.000 2.546 436 V HA 0.543 4.663 4.120 0.000 0.000 0.284 436 V C -0.808 175.132 176.094 -0.258 0.000 1.050 436 V CA -0.244 62.038 62.300 -0.031 0.000 0.981 436 V CB 1.214 33.069 31.823 0.053 0.000 0.990 436 V HN 1.072 nan 8.190 nan 0.000 0.474 437 D N 5.103 125.386 120.400 -0.195 0.000 2.408 437 D HA 0.322 4.962 4.640 0.000 0.000 0.243 437 D C -0.545 175.647 176.300 -0.180 0.000 1.075 437 D CA -0.359 53.507 54.000 -0.223 0.000 0.832 437 D CB 0.931 41.704 40.800 -0.045 0.000 1.162 437 D HN 0.430 nan 8.370 nan 0.000 0.515 438 F N 2.679 122.653 119.950 0.039 0.000 2.652 438 F HA 0.103 4.630 4.527 0.000 0.000 0.352 438 F C 1.873 177.684 175.800 0.019 0.000 1.259 438 F CA -0.434 57.563 58.000 -0.005 0.000 1.249 438 F CB 0.068 38.959 39.000 -0.181 0.000 1.628 438 F HN 0.326 nan 8.300 nan 0.000 0.654 439 S N 0.673 116.484 115.700 0.185 0.000 2.528 439 S HA 0.030 4.500 4.470 0.000 0.000 0.219 439 S C 0.977 175.631 174.600 0.089 0.000 0.985 439 S CA -0.115 58.150 58.200 0.108 0.000 0.914 439 S CB -0.352 62.895 63.200 0.078 0.000 0.776 439 S HN 0.645 nan 8.310 nan 0.000 0.526 440 L N 1.571 122.859 121.223 0.109 0.000 3.843 440 L HA -0.169 4.171 4.340 0.000 0.000 0.411 440 L C -0.823 176.072 176.870 0.042 0.000 1.205 440 L CA 0.773 55.655 54.840 0.071 0.000 0.945 440 L CB -2.176 39.911 42.059 0.047 0.000 1.929 440 L HN 0.570 nan 8.230 nan 0.000 0.934 441 D N -1.585 118.836 120.400 0.036 0.000 2.938 441 D HA 0.275 4.915 4.640 0.000 0.000 0.369 441 D C -1.445 174.847 176.300 -0.013 0.000 1.301 441 D CA -1.120 52.887 54.000 0.010 0.000 0.805 441 D CB 0.435 41.243 40.800 0.013 0.000 1.161 441 D HN 0.184 nan 8.370 nan 0.000 0.474 442 P HA 0.050 nan 4.420 nan 0.000 0.259 442 P C 0.687 178.006 177.300 0.032 0.000 1.233 442 P CA 0.559 63.658 63.100 -0.003 0.000 0.827 442 P CB 1.111 32.798 31.700 -0.021 0.000 1.154 443 T N -2.278 112.301 114.554 0.043 0.000 3.212 443 T HA 0.377 4.727 4.350 0.000 0.000 0.157 443 T C 0.266 175.139 174.700 0.288 0.000 0.908 443 T CA -0.146 62.044 62.100 0.149 0.000 0.954 443 T CB -0.243 68.713 68.868 0.148 0.000 1.709 443 T HN 0.036 nan 8.240 nan 0.000 0.335 444 F N 0.789 120.874 119.950 0.224 0.000 2.640 444 F HA 0.893 5.420 4.527 0.000 0.000 0.324 444 F C -1.223 174.677 175.800 0.167 0.000 1.077 444 F CA -1.100 57.033 58.000 0.223 0.000 0.965 444 F CB 1.598 40.807 39.000 0.348 0.000 1.351 444 F HN 0.242 nan 8.300 nan 0.000 0.487 445 T N 3.039 117.766 114.554 0.288 0.000 2.861 445 T HA 0.544 4.894 4.350 0.000 0.000 0.287 445 T C -0.897 173.932 174.700 0.214 0.000 1.003 445 T CA -0.446 61.742 62.100 0.147 0.000 0.977 445 T CB 1.555 70.471 68.868 0.079 0.000 0.996 445 T HN 0.444 nan 8.240 nan 0.000 0.448 446 I N 3.449 124.101 120.570 0.137 0.000 2.312 446 I HA 0.317 4.487 4.170 0.000 0.000 0.290 446 I C 0.494 176.654 176.117 0.072 0.000 1.008 446 I CA -0.587 60.766 61.300 0.089 0.000 1.226 446 I CB 0.971 38.925 38.000 -0.077 0.000 1.371 446 I HN 0.664 nan 8.210 nan 0.000 0.468 447 E N 4.615 124.863 120.200 0.080 0.000 2.204 447 E HA 0.452 4.802 4.350 0.000 0.000 0.276 447 E C -0.604 176.046 176.600 0.084 0.000 0.974 447 E CA -0.636 55.807 56.400 0.071 0.000 0.815 447 E CB 1.916 31.648 29.700 0.054 0.000 1.119 447 E HN 0.375 nan 8.360 nan 0.000 0.393 448 T N 2.289 116.891 114.554 0.080 0.000 2.758 448 T HA 0.412 4.763 4.350 0.000 0.000 0.285 448 T C -0.170 174.573 174.700 0.072 0.000 0.981 448 T CA -0.602 61.549 62.100 0.086 0.000 0.965 448 T CB 1.046 69.966 68.868 0.088 0.000 0.927 448 T HN 0.601 nan 8.240 nan 0.000 0.448 449 T N -0.176 114.420 114.554 0.070 0.000 2.896 449 T HA 0.640 4.990 4.350 0.000 0.000 0.297 449 T C -0.460 174.273 174.700 0.056 0.000 1.108 449 T CA -0.846 61.287 62.100 0.056 0.000 1.004 449 T CB 1.673 70.567 68.868 0.043 0.000 1.159 449 T HN 0.292 nan 8.240 nan 0.000 0.499 450 T N 1.914 116.487 114.554 0.031 0.000 2.767 450 T HA 0.658 5.008 4.350 0.000 0.000 0.284 450 T C 0.104 174.798 174.700 -0.010 0.000 0.973 450 T CA -0.531 61.570 62.100 0.002 0.000 0.996 450 T CB 0.780 69.585 68.868 -0.104 0.000 0.927 450 T HN 1.060 nan 8.240 nan 0.000 0.456 451 V N 1.606 121.520 119.914 0.000 0.000 3.078 451 V HA 0.782 4.902 4.120 0.000 0.000 0.311 451 V C -3.094 172.997 176.094 -0.005 0.000 1.138 451 V CA -3.358 58.943 62.300 0.002 0.000 1.007 451 V CB 1.706 33.540 31.823 0.019 0.000 1.045 451 V HN 0.467 nan 8.190 nan 0.000 0.432 452 P HA 0.190 nan 4.420 nan 0.000 0.268 452 P C -0.589 176.711 177.300 0.000 0.000 1.205 452 P CA 0.008 63.105 63.100 -0.004 0.000 0.771 452 P CB 0.252 31.955 31.700 0.004 0.000 0.858 453 Q N 2.321 122.119 119.800 -0.004 0.000 2.454 453 Q HA 0.153 4.493 4.340 0.000 0.000 0.247 453 Q C -0.122 175.877 176.000 -0.002 0.000 1.028 453 Q CA -0.467 55.333 55.803 -0.004 0.000 0.910 453 Q CB 0.428 29.158 28.738 -0.014 0.000 1.276 453 Q HN 0.439 nan 8.270 nan 0.000 0.489 454 D N 0.927 121.328 120.400 0.002 0.000 2.466 454 D HA 0.222 4.862 4.640 0.000 0.000 0.262 454 D C 0.443 176.734 176.300 -0.014 0.000 1.177 454 D CA -0.075 53.928 54.000 0.005 0.000 1.035 454 D CB 0.835 41.651 40.800 0.027 0.000 1.105 454 D HN 0.621 nan 8.370 nan 0.000 0.551 455 A N 0.185 122.997 122.820 -0.014 0.000 1.972 455 A HA -0.054 4.266 4.320 0.000 0.000 0.219 455 A C 2.341 179.887 177.584 -0.063 0.000 1.169 455 A CA 1.438 53.452 52.037 -0.038 0.000 0.635 455 A CB -0.831 18.152 19.000 -0.028 0.000 0.810 455 A HN 0.388 nan 8.150 nan 0.000 0.446 456 V N -0.344 119.538 119.914 -0.054 0.000 2.295 456 V HA -0.228 3.892 4.120 0.000 0.000 0.246 456 V C 2.856 178.909 176.094 -0.070 0.000 1.049 456 V CA 2.339 64.587 62.300 -0.087 0.000 1.024 456 V CB -0.800 30.996 31.823 -0.045 0.000 0.648 456 V HN 0.701 nan 8.190 nan 0.000 0.447 457 S N -0.376 115.297 115.700 -0.046 0.000 2.359 457 S HA -0.293 4.178 4.470 0.000 0.000 0.224 457 S C 2.218 176.752 174.600 -0.111 0.000 1.035 457 S CA 2.174 60.330 58.200 -0.074 0.000 1.018 457 S CB -0.328 62.838 63.200 -0.057 0.000 0.876 457 S HN 0.539 nan 8.310 nan 0.000 0.448 458 R N 0.506 120.952 120.500 -0.089 0.000 2.073 458 R HA -0.086 4.254 4.340 0.000 0.000 0.234 458 R C 2.675 178.868 176.300 -0.178 0.000 1.134 458 R CA 2.011 58.047 56.100 -0.105 0.000 0.952 458 R CB -0.547 29.699 30.300 -0.090 0.000 0.850 458 R HN 0.656 nan 8.270 nan 0.000 0.433 459 S N -0.108 115.501 115.700 -0.152 0.000 2.402 459 S HA -0.154 4.316 4.470 0.000 0.000 0.229 459 S C 1.873 176.404 174.600 -0.115 0.000 1.021 459 S CA 0.901 59.011 58.200 -0.150 0.000 0.974 459 S CB -0.179 62.951 63.200 -0.117 0.000 0.800 459 S HN 0.451 nan 8.310 nan 0.000 0.484 460 Q N 0.741 120.483 119.800 -0.097 0.000 2.123 460 Q HA 0.078 4.418 4.340 0.000 0.000 0.199 460 Q C 2.567 178.535 176.000 -0.055 0.000 0.966 460 Q CA 0.939 56.711 55.803 -0.050 0.000 0.845 460 Q CB -0.134 28.590 28.738 -0.023 0.000 0.907 460 Q HN 0.583 nan 8.270 nan 0.000 0.439 461 R N 0.427 120.828 120.500 -0.166 0.000 2.075 461 R HA -0.067 4.273 4.340 0.000 0.000 0.232 461 R C 2.334 178.701 176.300 0.111 0.000 1.126 461 R CA 1.002 56.979 56.100 -0.205 0.000 0.963 461 R CB -0.212 29.802 30.300 -0.477 0.000 0.858 461 R HN 0.113 nan 8.270 nan 0.000 0.435 462 R N 0.460 120.905 120.500 -0.092 0.000 2.120 462 R HA -0.091 4.250 4.340 0.000 0.000 0.234 462 R C 1.942 178.206 176.300 -0.059 0.000 1.123 462 R CA 1.496 57.449 56.100 -0.245 0.000 0.975 462 R CB -0.308 29.544 30.300 -0.747 0.000 0.866 462 R HN 0.289 nan 8.270 nan 0.000 0.446 463 G N 0.042 108.830 108.800 -0.020 0.000 2.776 463 G HA2 -0.144 3.816 3.960 0.000 0.000 0.209 463 G HA3 -0.144 3.816 3.960 0.000 0.000 0.209 463 G C 1.056 176.015 174.900 0.097 0.000 1.145 463 G CA -0.188 44.926 45.100 0.023 0.000 0.791 463 G HN 0.134 nan 8.290 nan 0.000 0.530 464 R N -0.009 120.603 120.500 0.187 0.000 2.328 464 R HA 0.128 4.469 4.340 0.000 0.000 0.200 464 R C 0.484 176.942 176.300 0.262 0.000 0.983 464 R CA 0.144 56.409 56.100 0.276 0.000 1.062 464 R CB -0.630 29.910 30.300 0.401 0.000 0.956 464 R HN 0.297 nan 8.270 nan 0.000 0.479 465 T N -2.635 112.016 114.554 0.161 0.000 2.883 465 T HA 0.467 4.817 4.350 0.000 0.000 0.296 465 T C 0.224 174.925 174.700 0.002 0.000 1.117 465 T CA 0.211 62.383 62.100 0.120 0.000 1.006 465 T CB 1.548 70.511 68.868 0.159 0.000 1.191 465 T HN 0.295 nan 8.240 nan 0.000 0.508 466 G N 2.395 111.187 108.800 -0.013 0.000 2.143 466 G HA2 -0.197 3.764 3.960 0.000 0.000 0.248 466 G HA3 -0.197 3.764 3.960 0.000 0.000 0.248 466 G C 0.121 174.992 174.900 -0.048 0.000 0.991 466 G CA 0.008 45.056 45.100 -0.087 0.000 0.689 466 G HN 0.748 nan 8.290 nan 0.000 0.522 467 R N 0.168 120.670 120.500 0.002 0.000 2.351 467 R HA 0.403 4.743 4.340 0.000 0.000 0.321 467 R C 1.612 177.932 176.300 0.033 0.000 1.182 467 R CA 0.738 56.856 56.100 0.031 0.000 1.011 467 R CB 0.151 30.464 30.300 0.022 0.000 1.048 467 R HN 1.252 nan 8.270 nan 0.000 0.490 468 G N 2.899 111.734 108.800 0.058 0.000 2.284 468 G HA2 -0.376 3.584 3.960 0.000 0.000 0.261 468 G HA3 -0.376 3.584 3.960 0.000 0.000 0.261 468 G C 0.177 175.102 174.900 0.041 0.000 0.997 468 G CA 0.821 45.950 45.100 0.048 0.000 0.621 468 G HN 0.603 nan 8.290 nan 0.000 0.534 469 R N -1.752 118.769 120.500 0.035 0.000 2.817 469 R HA 0.850 5.190 4.340 0.000 0.000 0.268 469 R C -0.292 176.025 176.300 0.029 0.000 1.027 469 R CA -1.273 54.843 56.100 0.028 0.000 0.928 469 R CB 0.730 31.038 30.300 0.013 0.000 1.228 469 R HN 0.088 nan 8.270 nan 0.000 0.469 470 R N -0.092 120.427 120.500 0.031 0.000 2.522 470 R HA 0.438 4.778 4.340 0.000 0.000 0.284 470 R C -0.381 175.939 176.300 0.033 0.000 1.032 470 R CA 1.018 57.139 56.100 0.035 0.000 1.049 470 R CB 0.754 31.077 30.300 0.039 0.000 0.956 470 R HN 0.849 nan 8.270 nan 0.000 0.422 471 G N 2.522 111.341 108.800 0.031 0.000 2.605 471 G HA2 0.664 4.624 3.960 0.000 0.000 0.296 471 G HA3 0.664 4.624 3.960 0.000 0.000 0.296 471 G C -1.169 173.778 174.900 0.078 0.000 1.304 471 G CA -0.638 44.491 45.100 0.048 0.000 0.941 471 G HN 0.499 nan 8.290 nan 0.000 0.475 472 I N 0.583 121.224 120.570 0.118 0.000 2.466 472 I HA 0.267 4.438 4.170 0.000 0.000 0.289 472 I C -1.602 174.641 176.117 0.210 0.000 1.026 472 I CA -0.800 60.585 61.300 0.142 0.000 1.078 472 I CB 2.357 40.423 38.000 0.110 0.000 1.249 472 I HN 0.522 nan 8.210 nan 0.000 0.429 473 Y N 7.110 127.470 120.300 0.099 0.000 2.345 473 Y HA 0.520 5.070 4.550 0.000 0.000 0.331 473 Y C -0.569 175.449 175.900 0.196 0.000 0.959 473 Y CA -0.660 57.523 58.100 0.139 0.000 1.204 473 Y CB 0.731 39.271 38.460 0.133 0.000 1.135 473 Y HN 0.446 nan 8.280 nan 0.000 0.477 474 R N 6.497 126.828 120.500 -0.282 0.000 2.460 474 R HA 0.559 4.899 4.340 0.000 0.000 0.303 474 R C -1.480 174.570 176.300 -0.417 0.000 0.968 474 R CA -0.752 55.166 56.100 -0.303 0.000 0.889 474 R CB 1.426 31.585 30.300 -0.234 0.000 1.123 474 R HN 0.655 nan 8.270 nan 0.000 0.455 475 F N -1.738 118.009 119.950 -0.338 0.000 2.613 475 F HA 0.460 4.987 4.527 0.000 0.000 0.314 475 F C 0.193 175.977 175.800 -0.026 0.000 1.075 475 F CA -1.227 56.642 58.000 -0.219 0.000 0.945 475 F CB 0.568 39.465 39.000 -0.171 0.000 1.310 475 F HN 0.099 nan 8.300 nan 0.000 0.467 476 V N -0.106 119.937 119.914 0.216 0.000 2.599 476 V HA 0.097 4.217 4.120 0.000 0.000 0.245 476 V C 0.755 176.984 176.094 0.225 0.000 1.046 476 V CA 1.580 63.973 62.300 0.154 0.000 1.065 476 V CB -0.099 31.809 31.823 0.140 0.000 0.703 476 V HN 0.984 nan 8.190 nan 0.000 0.464 477 T N -2.661 112.099 114.554 0.342 0.000 2.876 477 T HA 0.450 4.800 4.350 0.000 0.000 0.289 477 T C -1.992 172.888 174.700 0.300 0.000 1.014 477 T CA -1.766 60.509 62.100 0.293 0.000 0.986 477 T CB 2.500 71.449 68.868 0.135 0.000 1.021 477 T HN -0.013 nan 8.240 nan 0.000 0.458 478 P HA 0.157 nan 4.420 nan 0.000 0.219 478 P C 1.111 178.339 177.300 -0.121 0.000 1.154 478 P CA 0.526 63.582 63.100 -0.074 0.000 0.826 478 P CB -0.241 31.515 31.700 0.092 0.000 0.795 479 G N 0.599 109.382 108.800 -0.027 0.000 2.508 479 G HA2 0.392 4.352 3.960 0.000 0.000 0.278 479 G HA3 0.392 4.352 3.960 0.000 0.000 0.278 479 G C -0.580 174.300 174.900 -0.033 0.000 1.389 479 G CA -0.379 44.704 45.100 -0.029 0.000 1.050 479 G HN 0.302 nan 8.290 nan 0.000 0.522 480 E N -1.255 118.933 120.200 -0.021 0.000 2.363 480 E HA 0.368 4.718 4.350 0.000 0.000 0.281 480 E C -0.962 175.632 176.600 -0.010 0.000 0.953 480 E CA -0.936 55.453 56.400 -0.018 0.000 0.778 480 E CB 1.645 31.326 29.700 -0.032 0.000 1.220 480 E HN 0.367 nan 8.360 nan 0.000 0.431 481 R N 1.622 122.119 120.500 -0.006 0.000 2.679 481 R HA 0.273 4.613 4.340 0.000 0.000 0.269 481 R C -1.991 174.305 176.300 -0.008 0.000 1.076 481 R CA -1.369 54.726 56.100 -0.008 0.000 1.160 481 R CB 0.218 30.518 30.300 -0.001 0.000 1.054 481 R HN 0.433 nan 8.270 nan 0.000 0.507 482 P HA 0.006 nan 4.420 nan 0.000 0.275 482 P C -0.639 176.703 177.300 0.071 0.000 1.228 482 P CA -0.185 62.908 63.100 -0.011 0.000 0.786 482 P CB 1.053 32.635 31.700 -0.197 0.000 0.927 483 S N 0.099 115.883 115.700 0.140 0.000 2.713 483 S HA 0.637 5.107 4.470 0.000 0.000 0.283 483 S C 0.989 175.717 174.600 0.214 0.000 1.161 483 S CA 0.104 58.386 58.200 0.137 0.000 0.999 483 S CB 0.636 63.878 63.200 0.070 0.000 1.039 483 S HN 0.881 nan 8.310 nan 0.000 0.548 484 G N -0.036 108.871 108.800 0.179 0.000 2.159 484 G HA2 -0.176 3.785 3.960 0.000 0.000 0.227 484 G HA3 -0.176 3.785 3.960 0.000 0.000 0.227 484 G C -0.292 174.739 174.900 0.219 0.000 0.986 484 G CA 0.177 45.380 45.100 0.173 0.000 0.651 484 G HN 0.712 nan 8.290 nan 0.000 0.523 485 M N -0.258 119.483 119.600 0.236 0.000 2.530 485 M HA 0.773 5.253 4.480 0.000 0.000 0.307 485 M C -0.309 176.139 176.300 0.247 0.000 1.161 485 M CA -1.109 54.299 55.300 0.180 0.000 0.903 485 M CB 2.100 34.778 32.600 0.131 0.000 1.711 485 M HN 0.397 nan 8.290 nan 0.000 0.451 486 F N -1.221 118.763 119.950 0.057 0.000 2.643 486 F HA 0.749 5.276 4.527 0.000 0.000 0.314 486 F C -1.094 174.724 175.800 0.031 0.000 1.096 486 F CA -1.254 56.768 58.000 0.037 0.000 0.953 486 F CB 0.925 39.938 39.000 0.021 0.000 1.345 486 F HN 0.474 nan 8.300 nan 0.000 0.468 487 D N 0.437 120.955 120.400 0.195 0.000 2.283 487 D HA 0.233 4.873 4.640 0.000 0.000 0.248 487 D C 1.129 177.524 176.300 0.160 0.000 1.072 487 D CA 0.037 54.098 54.000 0.103 0.000 0.929 487 D CB 2.035 42.908 40.800 0.121 0.000 1.182 487 D HN 0.694 nan 8.370 nan 0.000 0.433 488 S N 1.065 116.862 115.700 0.163 0.000 2.402 488 S HA -0.221 4.249 4.470 0.000 0.000 0.233 488 S C 1.938 176.757 174.600 0.365 0.000 1.030 488 S CA 1.948 60.371 58.200 0.371 0.000 1.003 488 S CB -0.513 63.088 63.200 0.668 0.000 0.813 488 S HN 0.575 nan 8.310 nan 0.000 0.477 489 S N 0.612 116.471 115.700 0.264 0.000 2.402 489 S HA -0.088 4.382 4.470 0.000 0.000 0.233 489 S C 1.755 176.413 174.600 0.097 0.000 1.030 489 S CA 1.404 59.707 58.200 0.172 0.000 1.003 489 S CB -0.911 62.426 63.200 0.227 0.000 0.813 489 S HN 0.385 nan 8.310 nan 0.000 0.477 490 V N 2.121 122.117 119.914 0.137 0.000 2.427 490 V HA -0.103 4.017 4.120 0.000 0.000 0.248 490 V C 2.526 178.610 176.094 -0.016 0.000 1.051 490 V CA 1.690 64.025 62.300 0.059 0.000 1.048 490 V CB -0.897 30.999 31.823 0.122 0.000 0.666 490 V HN 0.482 nan 8.190 nan 0.000 0.456 491 L N -0.642 120.612 121.223 0.053 0.000 2.046 491 L HA -0.233 4.107 4.340 0.000 0.000 0.208 491 L C 2.735 179.464 176.870 -0.235 0.000 1.077 491 L CA 1.698 56.540 54.840 0.003 0.000 0.747 491 L CB -0.955 41.245 42.059 0.236 0.000 0.896 491 L HN 0.469 nan 8.230 nan 0.000 0.432 492 C N 0.854 119.687 119.300 -0.779 0.000 2.376 492 C HA -0.231 4.229 4.460 0.000 0.000 0.275 492 C C 2.704 177.583 174.990 -0.185 0.000 1.200 492 C CA 1.661 60.145 59.018 -0.891 0.000 1.756 492 C CB -0.729 26.271 27.740 -1.233 0.000 2.050 492 C HN 0.534 nan 8.230 nan 0.000 0.460 493 E N -0.797 119.351 120.200 -0.087 0.000 2.160 493 E HA -0.226 4.125 4.350 0.000 0.000 0.195 493 E C 2.247 178.738 176.600 -0.182 0.000 0.991 493 E CA 1.710 58.014 56.400 -0.160 0.000 0.810 493 E CB -0.273 29.251 29.700 -0.295 0.000 0.742 493 E HN 0.773 nan 8.360 nan 0.000 0.466 494 C N 0.145 119.316 119.300 -0.216 0.000 2.432 494 C HA -0.135 4.326 4.460 0.000 0.000 0.277 494 C C 2.412 177.168 174.990 -0.390 0.000 1.249 494 C CA 0.492 59.342 59.018 -0.280 0.000 1.725 494 C CB -1.041 26.492 27.740 -0.345 0.000 2.028 494 C HN 0.458 nan 8.230 nan 0.000 0.477 495 Y N 0.784 120.798 120.300 -0.477 0.000 2.224 495 Y HA -0.189 4.361 4.550 0.000 0.000 0.289 495 Y C 2.463 177.812 175.900 -0.918 0.000 1.146 495 Y CA 1.933 59.554 58.100 -0.799 0.000 1.182 495 Y CB -0.554 37.138 38.460 -1.281 0.000 0.983 495 Y HN 0.401 nan 8.280 nan 0.000 0.524 496 D N 0.041 120.097 120.400 -0.574 0.000 2.117 496 D HA -0.190 4.450 4.640 0.000 0.000 0.197 496 D C 2.201 178.468 176.300 -0.055 0.000 0.987 496 D CA 1.390 55.330 54.000 -0.101 0.000 0.829 496 D CB 0.023 40.979 40.800 0.260 0.000 0.961 496 D HN 0.351 nan 8.370 nan 0.000 0.460 497 A N 0.558 123.348 122.820 -0.049 0.000 1.929 497 A HA 0.059 4.379 4.320 0.000 0.000 0.216 497 A C 2.391 179.981 177.584 0.010 0.000 1.176 497 A CA 1.819 53.890 52.037 0.057 0.000 0.628 497 A CB -1.036 18.040 19.000 0.126 0.000 0.816 497 A HN 0.356 nan 8.150 nan 0.000 0.444 498 G N -0.509 108.284 108.800 -0.012 0.000 2.476 498 G HA2 -0.332 3.628 3.960 0.000 0.000 0.218 498 G HA3 -0.332 3.628 3.960 0.000 0.000 0.218 498 G C 1.607 176.467 174.900 -0.066 0.000 1.164 498 G CA 1.460 46.564 45.100 0.007 0.000 0.768 498 G HN 0.517 nan 8.290 nan 0.000 0.560 499 C N 0.601 119.777 119.300 -0.205 0.000 2.446 499 C HA 0.297 4.757 4.460 0.000 0.000 0.277 499 C C 3.531 178.439 174.990 -0.138 0.000 1.275 499 C CA 0.876 59.715 59.018 -0.298 0.000 1.727 499 C CB -0.864 26.372 27.740 -0.841 0.000 2.010 499 C HN 0.572 nan 8.230 nan 0.000 0.486 500 A N -1.401 121.363 122.820 -0.094 0.000 1.898 500 A HA -0.046 4.274 4.320 0.000 0.000 0.214 500 A C 1.763 179.097 177.584 -0.417 0.000 1.183 500 A CA 1.056 53.003 52.037 -0.150 0.000 0.622 500 A CB -0.516 18.353 19.000 -0.218 0.000 0.824 500 A HN 0.765 nan 8.150 nan 0.000 0.444 501 W N -3.253 117.870 121.300 -0.296 0.000 2.893 501 W HA 0.232 4.892 4.660 0.000 0.000 0.253 501 W C 1.041 177.287 176.519 -0.456 0.000 1.171 501 W CA 0.089 57.121 57.345 -0.521 0.000 1.480 501 W CB 0.333 29.159 29.460 -1.057 0.000 0.963 501 W HN 0.310 nan 8.180 nan 0.000 0.637 502 Y N 0.559 120.974 120.300 0.192 0.000 2.531 502 Y HA 0.218 4.768 4.550 0.000 0.000 0.249 502 Y C 0.350 176.269 175.900 0.032 0.000 1.168 502 Y CA -0.863 57.292 58.100 0.092 0.000 1.226 502 Y CB -0.773 37.709 38.460 0.037 0.000 1.177 502 Y HN -0.031 nan 8.280 nan 0.000 0.527 503 E N 0.685 120.953 120.200 0.114 0.000 2.360 503 E HA -0.224 4.126 4.350 0.000 0.000 0.238 503 E C -0.858 175.773 176.600 0.052 0.000 1.186 503 E CA 0.258 56.698 56.400 0.067 0.000 0.719 503 E CB -1.584 28.157 29.700 0.068 0.000 1.236 503 E HN 0.420 nan 8.360 nan 0.000 0.386 504 L N 1.155 122.405 121.223 0.044 0.000 2.282 504 L HA 0.279 4.619 4.340 0.000 0.000 0.288 504 L C 1.255 178.119 176.870 -0.010 0.000 1.033 504 L CA -0.643 54.205 54.840 0.013 0.000 0.807 504 L CB 1.218 43.278 42.059 0.001 0.000 1.209 504 L HN 0.070 nan 8.230 nan 0.000 0.423 505 T N -0.195 114.361 114.554 0.003 0.000 2.855 505 T HA 0.116 4.466 4.350 0.000 0.000 0.314 505 T C -1.843 172.876 174.700 0.033 0.000 1.077 505 T CA -1.223 60.885 62.100 0.014 0.000 1.095 505 T CB 0.904 69.786 68.868 0.024 0.000 0.987 505 T HN 0.347 nan 8.240 nan 0.000 0.546 506 P HA -0.037 nan 4.420 nan 0.000 0.218 506 P C 1.670 179.095 177.300 0.208 0.000 1.148 506 P CA 1.468 64.693 63.100 0.208 0.000 0.822 506 P CB -0.299 31.527 31.700 0.210 0.000 0.784 507 A N -0.001 122.891 122.820 0.121 0.000 1.902 507 A HA -0.250 4.070 4.320 0.000 0.000 0.217 507 A C 2.146 179.771 177.584 0.069 0.000 1.181 507 A CA 1.760 53.857 52.037 0.099 0.000 0.623 507 A CB -1.211 17.828 19.000 0.065 0.000 0.818 507 A HN 0.183 nan 8.150 nan 0.000 0.443 508 E N -0.884 119.337 120.200 0.036 0.000 2.051 508 E HA -0.135 4.215 4.350 0.000 0.000 0.192 508 E C 2.117 178.699 176.600 -0.031 0.000 0.991 508 E CA 1.621 58.023 56.400 0.003 0.000 0.799 508 E CB -0.368 29.328 29.700 -0.007 0.000 0.748 508 E HN 0.593 nan 8.360 nan 0.000 0.449 509 T N 0.639 115.151 114.554 -0.070 0.000 2.665 509 T HA -0.174 4.176 4.350 0.000 0.000 0.268 509 T C 2.130 176.713 174.700 -0.194 0.000 1.035 509 T CA 1.472 63.435 62.100 -0.227 0.000 1.151 509 T CB -0.272 68.308 68.868 -0.478 0.000 0.862 509 T HN 0.051 nan 8.240 nan 0.000 0.438 510 S N 0.704 116.407 115.700 0.005 0.000 2.370 510 S HA -0.108 4.362 4.470 0.000 0.000 0.226 510 S C 2.307 176.944 174.600 0.063 0.000 1.033 510 S CA 0.942 59.216 58.200 0.123 0.000 1.011 510 S CB -0.539 62.795 63.200 0.225 0.000 0.852 510 S HN 0.304 nan 8.310 nan 0.000 0.457 511 V N 1.804 121.740 119.914 0.037 0.000 2.332 511 V HA -0.212 3.908 4.120 0.000 0.000 0.248 511 V C 2.396 178.502 176.094 0.021 0.000 1.055 511 V CA 1.781 64.099 62.300 0.029 0.000 1.038 511 V CB -0.625 31.207 31.823 0.016 0.000 0.651 511 V HN 0.391 nan 8.190 nan 0.000 0.450 512 R N -0.343 120.152 120.500 -0.008 0.000 2.073 512 R HA 0.015 4.355 4.340 0.000 0.000 0.229 512 R C 2.276 178.590 176.300 0.024 0.000 1.120 512 R CA 1.157 57.255 56.100 -0.003 0.000 0.967 512 R CB -0.373 29.900 30.300 -0.044 0.000 0.862 512 R HN 0.395 nan 8.270 nan 0.000 0.436 513 L N 0.298 121.513 121.223 -0.014 0.000 2.141 513 L HA -0.104 4.236 4.340 0.000 0.000 0.209 513 L C 2.596 179.542 176.870 0.128 0.000 1.094 513 L CA 0.903 55.760 54.840 0.028 0.000 0.763 513 L CB -0.311 41.730 42.059 -0.031 0.000 0.908 513 L HN 0.078 nan 8.230 nan 0.000 0.437 514 R N 1.064 121.627 120.500 0.105 0.000 2.081 514 R HA -0.124 4.216 4.340 0.000 0.000 0.235 514 R C 2.239 178.604 176.300 0.108 0.000 1.131 514 R CA 1.734 57.899 56.100 0.108 0.000 0.960 514 R CB -0.688 29.661 30.300 0.083 0.000 0.856 514 R HN 0.282 nan 8.270 nan 0.000 0.436 515 A N -0.628 122.251 122.820 0.098 0.000 1.940 515 A HA -0.205 4.115 4.320 0.000 0.000 0.219 515 A C 2.181 179.836 177.584 0.119 0.000 1.176 515 A CA 1.579 53.670 52.037 0.090 0.000 0.631 515 A CB -0.969 18.077 19.000 0.076 0.000 0.814 515 A HN 0.578 nan 8.150 nan 0.000 0.446 516 Y N -0.169 120.150 120.300 0.032 0.000 2.133 516 Y HA -0.139 4.411 4.550 0.000 0.000 0.287 516 Y C 1.945 177.881 175.900 0.061 0.000 1.134 516 Y CA 1.821 59.944 58.100 0.040 0.000 1.133 516 Y CB -0.288 38.191 38.460 0.032 0.000 0.987 516 Y HN 0.200 nan 8.280 nan 0.000 0.502 517 L N 0.785 122.195 121.223 0.311 0.000 2.131 517 L HA -0.212 4.128 4.340 0.000 0.000 0.210 517 L C 1.681 178.598 176.870 0.077 0.000 1.092 517 L CA 1.470 56.433 54.840 0.205 0.000 0.759 517 L CB -0.960 41.206 42.059 0.178 0.000 0.903 517 L HN 0.265 nan 8.230 nan 0.000 0.435 518 N N -1.408 117.329 118.700 0.062 0.000 2.515 518 N HA -0.021 4.719 4.740 0.000 0.000 0.185 518 N C 0.082 175.593 175.510 0.002 0.000 1.109 518 N CA 0.357 53.424 53.050 0.028 0.000 0.903 518 N CB -0.068 38.440 38.487 0.034 0.000 0.969 518 N HN 0.235 nan 8.380 nan 0.000 0.450 519 T N 2.815 117.350 114.554 -0.030 0.000 2.749 519 T HA 0.357 4.707 4.350 0.000 0.000 0.287 519 T C -2.472 172.197 174.700 -0.052 0.000 0.970 519 T CA -1.346 60.723 62.100 -0.051 0.000 0.980 519 T CB 2.008 70.814 68.868 -0.104 0.000 0.924 519 T HN -0.038 nan 8.240 nan 0.000 0.456 520 P HA 0.371 nan 4.420 nan 0.000 0.271 520 P C 1.035 178.355 177.300 0.033 0.000 1.218 520 P CA 0.304 63.401 63.100 -0.004 0.000 0.780 520 P CB 0.478 32.177 31.700 -0.001 0.000 0.901 521 G N 0.397 109.164 108.800 -0.056 0.000 2.176 521 G HA2 -0.204 3.756 3.960 0.000 0.000 0.253 521 G HA3 -0.204 3.756 3.960 0.000 0.000 0.253 521 G C -0.133 174.779 174.900 0.020 0.000 0.979 521 G CA -0.251 44.773 45.100 -0.126 0.000 0.641 521 G HN 0.442 nan 8.290 nan 0.000 0.530 522 L N 0.651 121.871 121.223 -0.004 0.000 2.365 522 L HA 0.547 4.887 4.340 0.000 0.000 0.267 522 L C -1.761 175.140 176.870 0.051 0.000 1.033 522 L CA -2.559 52.261 54.840 -0.034 0.000 0.802 522 L CB 1.109 42.959 42.059 -0.349 0.000 1.267 522 L HN -0.168 nan 8.230 nan 0.000 0.457 523 P HA -0.018 nan 4.420 nan 0.000 0.266 523 P C -1.051 176.491 177.300 0.404 0.000 1.193 523 P CA -0.013 63.286 63.100 0.330 0.000 0.770 523 P CB 0.440 32.422 31.700 0.471 0.000 0.836 524 V N 0.600 120.633 119.914 0.198 0.000 2.919 524 V HA 0.837 4.957 4.120 0.000 0.000 0.316 524 V C -0.579 175.266 176.094 -0.414 0.000 1.077 524 V CA -0.801 61.492 62.300 -0.011 0.000 0.977 524 V CB 1.823 33.624 31.823 -0.036 0.000 1.039 524 V HN 0.811 nan 8.190 nan 0.000 0.441 525 C N 2.588 121.588 119.300 -0.501 0.000 3.170 525 C HA 0.512 4.972 4.460 0.000 0.000 0.319 525 C C -0.567 174.199 174.990 -0.374 0.000 1.260 525 C CA -0.355 58.242 59.018 -0.701 0.000 1.374 525 C CB 1.915 28.826 27.740 -1.381 0.000 1.739 525 C HN 1.081 nan 8.230 nan 0.000 0.479 526 Q N 2.459 122.034 119.800 -0.374 0.000 2.349 526 Q HA 0.071 4.411 4.340 0.000 0.000 0.287 526 Q C -0.281 175.486 176.000 -0.388 0.000 1.044 526 Q CA 0.762 56.322 55.803 -0.405 0.000 0.918 526 Q CB 0.523 28.896 28.738 -0.609 0.000 1.242 526 Q HN 0.727 nan 8.270 nan 0.000 0.405 527 D N 1.991 122.269 120.400 -0.204 0.000 2.470 527 D HA 0.017 4.657 4.640 0.000 0.000 0.226 527 D C -0.175 176.200 176.300 0.126 0.000 1.196 527 D CA 0.100 54.089 54.000 -0.019 0.000 0.979 527 D CB -0.279 40.535 40.800 0.024 0.000 1.059 527 D HN 0.438 nan 8.370 nan 0.000 0.515 528 H N 3.098 122.274 119.070 0.177 0.000 2.486 528 H HA 0.178 4.734 4.556 0.000 0.000 0.284 528 H C 1.637 177.135 175.328 0.284 0.000 1.103 528 H CA -0.379 55.774 56.048 0.175 0.000 1.089 528 H CB 0.900 30.786 29.762 0.207 0.000 1.603 528 H HN 0.270 nan 8.280 nan 0.000 0.557 529 L N 0.364 121.813 121.223 0.376 0.000 1.989 529 L HA -0.193 4.147 4.340 0.000 0.000 0.211 529 L C 2.216 179.217 176.870 0.219 0.000 1.071 529 L CA 1.262 56.325 54.840 0.372 0.000 0.749 529 L CB -0.247 41.998 42.059 0.309 0.000 0.890 529 L HN 0.408 nan 8.230 nan 0.000 0.431 530 E N -0.062 120.226 120.200 0.147 0.000 2.118 530 E HA -0.255 4.095 4.350 0.000 0.000 0.195 530 E C 1.957 178.555 176.600 -0.004 0.000 0.992 530 E CA 1.417 57.858 56.400 0.067 0.000 0.804 530 E CB -0.440 29.290 29.700 0.050 0.000 0.741 530 E HN 0.419 nan 8.360 nan 0.000 0.458 531 F N 0.002 119.854 119.950 -0.163 0.000 2.051 531 F HA -0.193 4.334 4.527 0.000 0.000 0.296 531 F C 2.099 177.695 175.800 -0.339 0.000 1.122 531 F CA 1.629 59.420 58.000 -0.349 0.000 1.201 531 F CB -0.715 37.915 39.000 -0.617 0.000 0.978 531 F HN -0.011 nan 8.300 nan 0.000 0.472 532 W N 0.970 122.051 121.300 -0.365 0.000 2.363 532 W HA -0.133 4.527 4.660 0.000 0.000 0.296 532 W C 2.649 178.732 176.519 -0.728 0.000 1.212 532 W CA 1.272 58.260 57.345 -0.595 0.000 1.260 532 W CB -0.590 28.608 29.460 -0.436 0.000 1.131 532 W HN 0.162 nan 8.180 nan 0.000 0.530 533 E N 0.776 120.669 120.200 -0.511 0.000 2.058 533 E HA -0.282 4.068 4.350 0.000 0.000 0.194 533 E C 2.299 178.845 176.600 -0.090 0.000 0.997 533 E CA 2.209 58.436 56.400 -0.288 0.000 0.801 533 E CB -0.281 29.411 29.700 -0.014 0.000 0.746 533 E HN 0.225 nan 8.360 nan 0.000 0.450 534 S N -0.192 115.425 115.700 -0.139 0.000 2.368 534 S HA -0.142 4.328 4.470 0.000 0.000 0.225 534 S C 2.115 176.717 174.600 0.003 0.000 1.030 534 S CA 1.351 59.510 58.200 -0.068 0.000 0.999 534 S CB -0.636 62.472 63.200 -0.153 0.000 0.844 534 S HN 0.172 nan 8.310 nan 0.000 0.459 535 V N 1.009 120.809 119.914 -0.189 0.000 2.237 535 V HA -0.117 4.003 4.120 0.000 0.000 0.245 535 V C 2.316 178.418 176.094 0.014 0.000 1.046 535 V CA 2.141 64.383 62.300 -0.096 0.000 1.007 535 V CB -1.063 30.585 31.823 -0.290 0.000 0.638 535 V HN 0.501 nan 8.190 nan 0.000 0.445 536 F N 0.397 120.331 119.950 -0.027 0.000 2.293 536 F HA -0.139 4.388 4.527 0.000 0.000 0.300 536 F C 2.567 178.341 175.800 -0.044 0.000 1.086 536 F CA 1.614 59.601 58.000 -0.022 0.000 1.375 536 F CB -0.922 38.053 39.000 -0.042 0.000 1.045 536 F HN 0.082 nan 8.300 nan 0.000 0.516 537 T N -0.823 113.816 114.554 0.142 0.000 2.803 537 T HA -0.163 4.187 4.350 0.000 0.000 0.269 537 T C 2.198 176.855 174.700 -0.072 0.000 1.052 537 T CA 1.413 63.548 62.100 0.058 0.000 1.136 537 T CB -0.733 68.185 68.868 0.083 0.000 0.864 537 T HN 0.458 nan 8.240 nan 0.000 0.467 538 G N 0.453 109.151 108.800 -0.170 0.000 2.880 538 G HA2 0.204 4.164 3.960 0.000 0.000 0.209 538 G HA3 0.204 4.164 3.960 0.000 0.000 0.209 538 G C 0.510 175.188 174.900 -0.371 0.000 1.157 538 G CA -0.213 44.525 45.100 -0.604 0.000 0.779 538 G HN 0.443 nan 8.290 nan 0.000 0.539 539 L N 3.218 124.275 121.223 -0.276 0.000 2.422 539 L HA 0.280 4.621 4.340 0.000 0.000 0.256 539 L C 0.441 177.215 176.870 -0.161 0.000 1.202 539 L CA -0.489 54.023 54.840 -0.548 0.000 1.119 539 L CB -0.132 41.528 42.059 -0.665 0.000 1.383 539 L HN 0.069 nan 8.230 nan 0.000 0.411 540 T N -3.522 111.044 114.554 0.019 0.000 2.952 540 T HA 0.358 4.709 4.350 0.000 0.000 0.286 540 T C 0.449 175.259 174.700 0.183 0.000 1.024 540 T CA -0.614 61.482 62.100 -0.006 0.000 1.029 540 T CB 1.223 69.908 68.868 -0.304 0.000 1.094 540 T HN 0.527 nan 8.240 nan 0.000 0.515 541 H N -1.078 118.132 119.070 0.234 0.000 2.826 541 H HA -0.131 4.425 4.556 0.000 0.000 0.306 541 H C 0.207 175.625 175.328 0.150 0.000 1.235 541 H CA 0.315 56.460 56.048 0.161 0.000 1.150 541 H CB -1.732 28.095 29.762 0.108 0.000 1.409 541 H HN 0.763 nan 8.280 nan 0.000 0.420 542 I N 1.124 121.864 120.570 0.284 0.000 2.892 542 I HA -0.070 4.100 4.170 0.000 0.000 0.287 542 I C 1.155 177.287 176.117 0.025 0.000 1.205 542 I CA 0.419 61.783 61.300 0.108 0.000 1.409 542 I CB 0.435 38.485 38.000 0.082 0.000 1.367 542 I HN 0.209 nan 8.210 nan 0.000 0.597 543 D N 5.741 126.111 120.400 -0.050 0.000 2.371 543 D HA 0.069 4.709 4.640 0.000 0.000 0.256 543 D C 0.636 176.892 176.300 -0.073 0.000 1.193 543 D CA 0.231 54.171 54.000 -0.100 0.000 0.881 543 D CB 1.582 42.228 40.800 -0.256 0.000 1.143 543 D HN 0.698 nan 8.370 nan 0.000 0.473 544 A N 4.722 127.513 122.820 -0.049 0.000 1.969 544 A HA -0.203 4.117 4.320 0.000 0.000 0.218 544 A C 2.025 179.612 177.584 0.005 0.000 1.169 544 A CA 1.139 53.170 52.037 -0.009 0.000 0.635 544 A CB -0.531 18.473 19.000 0.007 0.000 0.810 544 A HN 0.871 nan 8.150 nan 0.000 0.445 545 H N -1.739 117.234 119.070 -0.162 0.000 2.326 545 H HA -0.134 4.423 4.556 0.000 0.000 0.301 545 H C 1.781 177.094 175.328 -0.026 0.000 1.081 545 H CA 1.727 57.691 56.048 -0.140 0.000 1.334 545 H CB -0.128 29.493 29.762 -0.234 0.000 1.385 545 H HN 0.440 nan 8.280 nan 0.000 0.504 546 F N 0.734 120.599 119.950 -0.143 0.000 2.126 546 F HA -0.183 4.345 4.527 0.000 0.000 0.299 546 F C 2.599 178.302 175.800 -0.161 0.000 1.096 546 F CA 0.637 58.522 58.000 -0.192 0.000 1.255 546 F CB -1.077 37.861 39.000 -0.102 0.000 0.997 546 F HN 0.199 nan 8.300 nan 0.000 0.479 547 L N -0.425 120.828 121.223 0.051 0.000 2.046 547 L HA -0.166 4.175 4.340 0.000 0.000 0.208 547 L C 2.584 179.398 176.870 -0.093 0.000 1.077 547 L CA 1.923 56.740 54.840 -0.038 0.000 0.747 547 L CB -1.229 40.797 42.059 -0.055 0.000 0.896 547 L HN 0.145 nan 8.230 nan 0.000 0.432 548 S N -1.256 114.399 115.700 -0.074 0.000 2.383 548 S HA -0.248 4.222 4.470 0.000 0.000 0.229 548 S C 1.938 176.497 174.600 -0.068 0.000 1.030 548 S CA 1.656 59.810 58.200 -0.076 0.000 1.002 548 S CB -0.190 63.013 63.200 0.004 0.000 0.829 548 S HN 0.695 nan 8.310 nan 0.000 0.467 549 Q N -0.066 119.685 119.800 -0.081 0.000 2.049 549 Q HA -0.075 4.265 4.340 0.000 0.000 0.198 549 Q C 2.559 178.542 176.000 -0.028 0.000 0.971 549 Q CA 1.862 57.630 55.803 -0.057 0.000 0.833 549 Q CB -0.515 28.164 28.738 -0.098 0.000 0.896 549 Q HN 0.865 nan 8.270 nan 0.000 0.434 550 T N -0.694 113.838 114.554 -0.035 0.000 2.821 550 T HA -0.112 4.239 4.350 0.000 0.000 0.267 550 T C 1.658 176.351 174.700 -0.011 0.000 1.046 550 T CA 1.030 63.114 62.100 -0.025 0.000 1.139 550 T CB -0.090 68.762 68.868 -0.026 0.000 0.871 550 T HN 0.115 nan 8.240 nan 0.000 0.454 551 K N 0.623 120.973 120.400 -0.083 0.000 2.009 551 K HA -0.117 4.203 4.320 0.000 0.000 0.210 551 K C 2.737 179.428 176.600 0.151 0.000 1.049 551 K CA 1.504 57.724 56.287 -0.111 0.000 0.929 551 K CB -0.225 31.911 32.500 -0.607 0.000 0.714 551 K HN 0.275 nan 8.250 nan 0.000 0.440 552 Q N 0.750 120.603 119.800 0.090 0.000 2.167 552 Q HA -0.073 4.267 4.340 0.000 0.000 0.202 552 Q C 1.851 177.920 176.000 0.115 0.000 0.970 552 Q CA 1.519 57.407 55.803 0.141 0.000 0.855 552 Q CB -0.005 28.789 28.738 0.093 0.000 0.911 552 Q HN 0.312 nan 8.270 nan 0.000 0.438 553 A N -0.367 122.499 122.820 0.077 0.000 2.067 553 A HA 0.095 4.415 4.320 0.000 0.000 0.219 553 A C 1.702 179.325 177.584 0.064 0.000 1.158 553 A CA 1.536 53.606 52.037 0.055 0.000 0.661 553 A CB -0.608 18.406 19.000 0.023 0.000 0.801 553 A HN 0.606 nan 8.150 nan 0.000 0.452 554 G N -0.890 107.972 108.800 0.102 0.000 2.184 554 G HA2 -0.244 3.716 3.960 0.000 0.000 0.264 554 G HA3 -0.244 3.716 3.960 0.000 0.000 0.264 554 G C -0.088 174.847 174.900 0.058 0.000 0.975 554 G CA 0.418 45.580 45.100 0.103 0.000 0.642 554 G HN 0.515 nan 8.290 nan 0.000 0.536 555 D N 0.587 121.008 120.400 0.035 0.000 2.377 555 D HA 0.322 4.962 4.640 0.000 0.000 0.245 555 D C 0.917 177.219 176.300 0.003 0.000 1.196 555 D CA -0.430 53.573 54.000 0.005 0.000 0.962 555 D CB 0.267 41.054 40.800 -0.021 0.000 1.127 555 D HN 0.154 nan 8.370 nan 0.000 0.471 556 N N -0.072 118.613 118.700 -0.025 0.000 2.444 556 N HA 0.067 4.807 4.740 0.000 0.000 0.255 556 N C 0.005 175.518 175.510 0.005 0.000 1.255 556 N CA -0.075 52.894 53.050 -0.135 0.000 0.933 556 N CB -0.010 38.337 38.487 -0.232 0.000 1.143 556 N HN 0.334 nan 8.380 nan 0.000 0.453 557 F N -1.960 118.023 119.950 0.056 0.000 3.027 557 F HA -0.169 4.359 4.527 0.000 0.000 0.276 557 F C -1.147 174.705 175.800 0.087 0.000 0.967 557 F CA -0.255 57.797 58.000 0.086 0.000 0.929 557 F CB -1.658 37.379 39.000 0.061 0.000 0.873 557 F HN 0.516 nan 8.300 nan 0.000 0.787 558 P HA -0.264 nan 4.420 nan 0.000 0.216 558 P C 1.638 179.037 177.300 0.165 0.000 1.150 558 P CA 1.835 65.005 63.100 0.116 0.000 0.837 558 P CB 0.000 31.730 31.700 0.049 0.000 0.786 559 Y N 0.759 121.153 120.300 0.157 0.000 2.163 559 Y HA -0.117 4.433 4.550 0.000 0.000 0.288 559 Y C 2.572 178.654 175.900 0.302 0.000 1.136 559 Y CA 1.429 59.662 58.100 0.222 0.000 1.147 559 Y CB -0.916 37.712 38.460 0.281 0.000 0.987 559 Y HN -0.272 nan 8.280 nan 0.000 0.509 560 L N -1.249 120.250 121.223 0.462 0.000 2.083 560 L HA -0.225 4.115 4.340 0.000 0.000 0.209 560 L C 2.242 179.327 176.870 0.359 0.000 1.083 560 L CA 1.020 56.058 54.840 0.330 0.000 0.752 560 L CB -0.740 41.342 42.059 0.038 0.000 0.899 560 L HN 0.154 nan 8.230 nan 0.000 0.433 561 V N 0.135 120.189 119.914 0.232 0.000 2.270 561 V HA -0.259 3.862 4.120 0.000 0.000 0.245 561 V C 2.731 178.939 176.094 0.190 0.000 1.043 561 V CA 1.863 64.243 62.300 0.133 0.000 1.014 561 V CB -0.803 30.942 31.823 -0.131 0.000 0.645 561 V HN 0.474 nan 8.190 nan 0.000 0.447 562 A N -1.570 121.304 122.820 0.089 0.000 2.015 562 A HA -0.232 4.088 4.320 0.000 0.000 0.219 562 A C 2.120 179.723 177.584 0.030 0.000 1.163 562 A CA 1.722 53.786 52.037 0.045 0.000 0.646 562 A CB -0.686 18.316 19.000 0.003 0.000 0.806 562 A HN 0.623 nan 8.150 nan 0.000 0.448 563 Y N -0.045 120.226 120.300 -0.049 0.000 2.220 563 Y HA -0.195 4.355 4.550 0.000 0.000 0.291 563 Y C 2.650 178.561 175.900 0.019 0.000 1.129 563 Y CA 2.193 60.268 58.100 -0.041 0.000 1.161 563 Y CB -0.187 38.247 38.460 -0.043 0.000 0.997 563 Y HN 0.431 nan 8.280 nan 0.000 0.522 564 Q N 0.438 120.367 119.800 0.214 0.000 2.084 564 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 564 Q C 2.223 178.132 176.000 -0.152 0.000 0.978 564 Q CA 2.015 57.823 55.803 0.009 0.000 0.844 564 Q CB -0.606 28.222 28.738 0.151 0.000 0.898 564 Q HN 0.475 nan 8.270 nan 0.000 0.426 565 A N -0.730 122.057 122.820 -0.054 0.000 1.933 565 A HA -0.175 4.145 4.320 0.000 0.000 0.218 565 A C 2.291 179.736 177.584 -0.232 0.000 1.175 565 A CA 1.918 53.792 52.037 -0.272 0.000 0.628 565 A CB -1.030 17.699 19.000 -0.453 0.000 0.814 565 A HN 0.503 nan 8.150 nan 0.000 0.444 566 T N -0.388 114.120 114.554 -0.076 0.000 2.708 566 T HA -0.121 4.229 4.350 0.000 0.000 0.266 566 T C 1.892 176.508 174.700 -0.139 0.000 1.037 566 T CA 1.630 63.739 62.100 0.015 0.000 1.146 566 T CB -0.428 68.287 68.868 -0.256 0.000 0.865 566 T HN 0.156 nan 8.240 nan 0.000 0.435 567 V N 0.950 120.679 119.914 -0.309 0.000 2.295 567 V HA -0.214 3.906 4.120 0.000 0.000 0.246 567 V C 2.856 178.806 176.094 -0.240 0.000 1.049 567 V CA 1.421 63.527 62.300 -0.324 0.000 1.024 567 V CB -0.794 30.727 31.823 -0.503 0.000 0.648 567 V HN 0.621 nan 8.190 nan 0.000 0.447 568 C N 0.202 119.346 119.300 -0.260 0.000 2.413 568 C HA -0.178 4.282 4.460 0.000 0.000 0.277 568 C C 3.115 178.027 174.990 -0.130 0.000 1.228 568 C CA 1.022 59.896 59.018 -0.240 0.000 1.731 568 C CB -1.429 26.110 27.740 -0.334 0.000 2.042 568 C HN 0.642 nan 8.230 nan 0.000 0.468 569 A N 0.464 123.255 122.820 -0.048 0.000 1.908 569 A HA -0.220 4.100 4.320 0.000 0.000 0.218 569 A C 2.186 179.799 177.584 0.049 0.000 1.181 569 A CA 1.671 53.755 52.037 0.079 0.000 0.627 569 A CB -0.582 18.629 19.000 0.351 0.000 0.818 569 A HN 0.702 nan 8.150 nan 0.000 0.445 570 R N -0.775 119.740 120.500 0.025 0.000 2.189 570 R HA 0.042 4.382 4.340 0.000 0.000 0.223 570 R C 1.782 178.084 176.300 0.003 0.000 1.092 570 R CA 0.869 56.978 56.100 0.014 0.000 0.989 570 R CB -0.250 30.057 30.300 0.011 0.000 0.876 570 R HN 0.486 nan 8.270 nan 0.000 0.457 571 A N 0.433 123.236 122.820 -0.028 0.000 2.308 571 A HA 0.030 4.351 4.320 0.000 0.000 0.217 571 A C 0.268 177.794 177.584 -0.097 0.000 1.216 571 A CA -0.250 51.760 52.037 -0.045 0.000 0.864 571 A CB 0.209 19.177 19.000 -0.053 0.000 0.902 571 A HN 0.271 nan 8.150 nan 0.000 0.499 572 Q N -1.361 118.396 119.800 -0.072 0.000 2.434 572 Q HA -0.227 4.113 4.340 0.000 0.000 0.299 572 Q C 0.184 176.032 176.000 -0.253 0.000 1.286 572 Q CA 0.524 56.272 55.803 -0.093 0.000 0.872 572 Q CB -1.991 26.739 28.738 -0.014 0.000 1.193 572 Q HN 0.892 nan 8.270 nan 0.000 0.466 573 A N -0.171 122.522 122.820 -0.213 0.000 2.337 573 A HA 0.834 5.154 4.320 0.000 0.000 0.331 573 A C -2.517 174.940 177.584 -0.212 0.000 1.137 573 A CA -1.749 50.139 52.037 -0.249 0.000 0.807 573 A CB 1.135 19.993 19.000 -0.237 0.000 1.250 573 A HN -0.009 nan 8.150 nan 0.000 0.468 574 P HA 0.333 nan 4.420 nan 0.000 0.276 574 P C -2.553 174.418 177.300 -0.548 0.000 1.244 574 P CA -1.259 61.673 63.100 -0.280 0.000 0.801 574 P CB 0.110 31.712 31.700 -0.162 0.000 1.006 575 P HA 0.141 nan 4.420 nan 0.000 0.274 575 P C -2.029 174.641 177.300 -1.051 0.000 1.260 575 P CA -1.472 60.947 63.100 -1.134 0.000 0.793 575 P CB -0.619 30.238 31.700 -1.405 0.000 1.048 576 P HA -0.116 nan 4.420 nan 0.000 0.216 576 P C 0.613 177.624 177.300 -0.482 0.000 1.150 576 P CA 1.819 64.521 63.100 -0.663 0.000 0.843 576 P CB -0.015 31.367 31.700 -0.530 0.000 0.787 577 S N -3.875 111.484 115.700 -0.569 0.000 2.688 577 S HA 0.338 4.808 4.470 0.000 0.000 0.275 577 S C -1.120 173.254 174.600 -0.377 0.000 1.175 577 S CA -0.863 57.160 58.200 -0.296 0.000 0.818 577 S CB 0.043 63.248 63.200 0.009 0.000 1.157 577 S HN 0.002 nan 8.310 nan 0.000 0.482 578 W N 1.115 122.467 121.300 0.087 0.000 3.194 578 W HA 0.355 5.016 4.660 0.000 0.000 0.408 578 W C 0.379 176.986 176.519 0.147 0.000 1.072 578 W CA -0.426 56.988 57.345 0.115 0.000 1.953 578 W CB -0.089 29.402 29.460 0.052 0.000 1.091 578 W HN 0.814 nan 8.180 nan 0.000 0.699 579 D N 0.261 120.857 120.400 0.327 0.000 2.429 579 D HA -0.145 4.495 4.640 0.000 0.000 0.233 579 D C 1.759 178.170 176.300 0.183 0.000 1.202 579 D CA 0.820 54.952 54.000 0.220 0.000 0.879 579 D CB 1.147 42.050 40.800 0.172 0.000 1.212 579 D HN -0.082 nan 8.370 nan 0.000 0.465 580 Q N 1.913 121.763 119.800 0.085 0.000 2.291 580 Q HA -0.170 4.170 4.340 0.000 0.000 0.206 580 Q C 1.802 177.763 176.000 -0.064 0.000 0.976 580 Q CA 0.756 56.584 55.803 0.042 0.000 0.875 580 Q CB -0.362 28.386 28.738 0.018 0.000 0.927 580 Q HN 0.713 nan 8.270 nan 0.000 0.450 581 M N -1.209 118.264 119.600 -0.212 0.000 2.195 581 M HA -0.194 4.286 4.480 0.000 0.000 0.260 581 M C 0.361 176.263 176.300 -0.664 0.000 1.066 581 M CA 1.632 56.617 55.300 -0.525 0.000 1.089 581 M CB -0.058 32.057 32.600 -0.809 0.000 1.377 581 M HN 0.197 nan 8.290 nan 0.000 0.411 582 W N 1.051 122.336 121.300 -0.025 0.000 3.194 582 W HA 0.192 4.852 4.660 0.000 0.000 0.408 582 W C 1.630 178.155 176.519 0.011 0.000 1.072 582 W CA -0.506 56.791 57.345 -0.080 0.000 1.953 582 W CB -0.132 29.200 29.460 -0.213 0.000 1.091 582 W HN 0.254 nan 8.180 nan 0.000 0.699 583 K N 0.073 120.563 120.400 0.150 0.000 2.280 583 K HA -0.181 4.139 4.320 0.000 0.000 0.202 583 K C 1.761 178.440 176.600 0.131 0.000 1.047 583 K CA 1.570 57.956 56.287 0.164 0.000 0.942 583 K CB -0.997 31.558 32.500 0.092 0.000 0.739 583 K HN 0.367 nan 8.250 nan 0.000 0.457 584 C N -0.196 119.140 119.300 0.061 0.000 2.449 584 C HA 0.143 4.603 4.460 0.000 0.000 0.283 584 C C 1.795 176.797 174.990 0.019 0.000 1.453 584 C CA -0.298 58.730 59.018 0.018 0.000 1.779 584 C CB -0.895 26.808 27.740 -0.063 0.000 1.779 584 C HN 0.366 nan 8.230 nan 0.000 0.546 585 L N 0.386 121.652 121.223 0.072 0.000 2.585 585 L HA 0.375 4.715 4.340 0.000 0.000 0.226 585 L C 2.244 179.327 176.870 0.354 0.000 1.113 585 L CA 0.452 55.383 54.840 0.152 0.000 0.876 585 L CB -0.764 41.343 42.059 0.081 0.000 1.072 585 L HN 0.328 nan 8.230 nan 0.000 0.468 586 I N 0.354 121.111 120.570 0.311 0.000 2.208 586 I HA -0.345 3.825 4.170 0.000 0.000 0.245 586 I C 2.566 178.683 176.117 -0.000 0.000 1.097 586 I CA 1.314 62.685 61.300 0.118 0.000 1.363 586 I CB -0.184 37.860 38.000 0.074 0.000 1.051 586 I HN 0.384 nan 8.210 nan 0.000 0.413 587 R N 1.472 122.014 120.500 0.071 0.000 2.189 587 R HA -0.111 4.229 4.340 0.000 0.000 0.223 587 R C 1.730 178.066 176.300 0.060 0.000 1.092 587 R CA 1.196 57.327 56.100 0.052 0.000 0.989 587 R CB -0.511 29.840 30.300 0.086 0.000 0.876 587 R HN 0.371 nan 8.270 nan 0.000 0.457 588 L N 0.755 122.044 121.223 0.111 0.000 2.591 588 L HA 0.145 4.485 4.340 0.000 0.000 0.228 588 L C 2.296 179.232 176.870 0.110 0.000 1.133 588 L CA 0.179 55.094 54.840 0.126 0.000 0.880 588 L CB -0.176 41.990 42.059 0.179 0.000 1.033 588 L HN 0.180 nan 8.230 nan 0.000 0.450 589 K N 1.432 121.842 120.400 0.017 0.000 2.089 589 K HA -0.185 4.135 4.320 0.000 0.000 0.210 589 K C -0.493 176.100 176.600 -0.011 0.000 1.048 589 K CA 1.768 57.996 56.287 -0.099 0.000 0.926 589 K CB -0.608 31.560 32.500 -0.552 0.000 0.714 589 K HN 0.228 nan 8.250 nan 0.000 0.448 590 P HA -0.099 nan 4.420 nan 0.000 0.226 590 P C 0.708 178.041 177.300 0.054 0.000 1.153 590 P CA 1.394 64.496 63.100 0.003 0.000 0.777 590 P CB 0.035 31.728 31.700 -0.011 0.000 0.794 591 T N -4.004 110.603 114.554 0.089 0.000 3.069 591 T HA 0.231 4.581 4.350 0.000 0.000 0.252 591 T C 0.639 175.468 174.700 0.215 0.000 1.053 591 T CA -0.198 61.978 62.100 0.128 0.000 0.964 591 T CB -0.450 68.482 68.868 0.105 0.000 1.005 591 T HN -0.059 nan 8.240 nan 0.000 0.532 592 L N 3.926 125.269 121.223 0.199 0.000 2.289 592 L HA 0.583 4.923 4.340 0.000 0.000 0.285 592 L C 0.117 177.100 176.870 0.189 0.000 1.049 592 L CA -1.052 53.882 54.840 0.157 0.000 0.804 592 L CB 0.740 42.894 42.059 0.158 0.000 1.195 592 L HN 0.470 nan 8.230 nan 0.000 0.428 593 H N 1.545 120.638 119.070 0.038 0.000 3.017 593 H HA 0.728 5.284 4.556 0.000 0.000 0.346 593 H C -0.054 175.273 175.328 -0.001 0.000 1.286 593 H CA -0.318 55.745 56.048 0.026 0.000 1.120 593 H CB 1.613 31.388 29.762 0.021 0.000 1.860 593 H HN 0.737 nan 8.280 nan 0.000 0.542 594 G N 0.721 109.552 108.800 0.051 0.000 2.698 594 G HA2 -0.150 3.810 3.960 0.000 0.000 0.225 594 G HA3 -0.150 3.810 3.960 0.000 0.000 0.225 594 G C -3.078 171.780 174.900 -0.070 0.000 1.345 594 G CA -0.536 44.557 45.100 -0.012 0.000 0.871 594 G HN 0.727 nan 8.290 nan 0.000 0.540 595 P HA 0.381 nan 4.420 nan 0.000 0.277 595 P C 0.002 177.212 177.300 -0.150 0.000 1.240 595 P CA 0.084 63.124 63.100 -0.099 0.000 0.798 595 P CB 0.860 32.516 31.700 -0.073 0.000 0.979 596 T N 4.437 118.879 114.554 -0.187 0.000 2.814 596 T HA 0.234 4.584 4.350 0.000 0.000 0.297 596 T C -2.032 172.537 174.700 -0.218 0.000 0.956 596 T CA -1.010 60.938 62.100 -0.253 0.000 1.123 596 T CB -0.216 68.455 68.868 -0.328 0.000 0.902 596 T HN 0.335 nan 8.240 nan 0.000 0.528 597 P HA 0.199 nan 4.420 nan 0.000 0.268 597 P C -0.465 176.674 177.300 -0.269 0.000 1.541 597 P CA -0.618 62.367 63.100 -0.193 0.000 1.093 597 P CB 0.055 31.648 31.700 -0.178 0.000 1.551 598 L N 4.153 125.233 121.223 -0.238 0.000 2.360 598 L HA 0.110 4.451 4.340 0.000 0.000 0.276 598 L C 1.086 177.760 176.870 -0.327 0.000 1.121 598 L CA 0.246 54.912 54.840 -0.290 0.000 0.845 598 L CB 0.242 42.169 42.059 -0.221 0.000 1.143 598 L HN 0.246 nan 8.230 nan 0.000 0.452 599 L N 5.518 126.417 121.223 -0.540 0.000 2.298 599 L HA 0.170 4.510 4.340 0.000 0.000 0.209 599 L C -0.555 175.892 176.870 -0.705 0.000 1.084 599 L CA 0.001 54.408 54.840 -0.721 0.000 0.816 599 L CB -0.228 41.096 42.059 -1.224 0.000 0.967 599 L HN 0.697 nan 8.230 nan 0.000 0.460 600 Y N -2.841 117.302 120.300 -0.263 0.000 2.814 600 Y HA 0.487 5.038 4.550 0.000 0.000 0.348 600 Y C -0.935 174.773 175.900 -0.321 0.000 1.245 600 Y CA -2.243 55.552 58.100 -0.509 0.000 1.086 600 Y CB 0.482 38.286 38.460 -1.093 0.000 1.373 600 Y HN -0.230 nan 8.280 nan 0.000 0.451 601 R N 1.088 121.543 120.500 -0.074 0.000 2.393 601 R HA 0.647 4.987 4.340 0.000 0.000 0.315 601 R C -0.529 175.796 176.300 0.042 0.000 0.952 601 R CA -0.566 55.544 56.100 0.017 0.000 0.842 601 R CB 1.295 31.593 30.300 -0.003 0.000 1.163 601 R HN 0.786 nan 8.270 nan 0.000 0.450 602 L N 1.377 122.670 121.223 0.117 0.000 2.808 602 L HA 0.435 4.775 4.340 0.000 0.000 0.246 602 L C 0.772 177.689 176.870 0.080 0.000 1.153 602 L CA -0.237 54.638 54.840 0.057 0.000 0.956 602 L CB 0.899 42.987 42.059 0.049 0.000 1.270 602 L HN 0.851 nan 8.230 nan 0.000 0.528 603 G N -0.325 108.542 108.800 0.112 0.000 2.325 603 G HA2 0.484 4.444 3.960 0.000 0.000 0.295 603 G HA3 0.484 4.444 3.960 0.000 0.000 0.295 603 G C -1.545 173.413 174.900 0.097 0.000 1.274 603 G CA -0.191 44.969 45.100 0.101 0.000 0.857 603 G HN -0.055 nan 8.290 nan 0.000 0.499 604 A N -0.758 122.113 122.820 0.086 0.000 2.511 604 A HA 0.516 4.836 4.320 0.000 0.000 0.242 604 A C 0.178 177.793 177.584 0.053 0.000 1.069 604 A CA 0.146 52.220 52.037 0.061 0.000 0.763 604 A CB 0.257 19.291 19.000 0.056 0.000 1.001 604 A HN 1.451 nan 8.150 nan 0.000 0.498 605 V N 4.124 124.044 119.914 0.010 0.000 2.328 605 V HA 0.184 4.305 4.120 0.000 0.000 0.278 605 V C 0.741 176.808 176.094 -0.046 0.000 1.021 605 V CA -0.096 62.178 62.300 -0.043 0.000 0.838 605 V CB 0.723 32.506 31.823 -0.067 0.000 0.999 605 V HN 1.112 nan 8.190 nan 0.000 0.447 606 Q N 2.190 121.954 119.800 -0.060 0.000 2.373 606 Q HA 0.109 4.450 4.340 0.000 0.000 0.210 606 Q C 0.831 176.799 176.000 -0.054 0.000 0.913 606 Q CA 0.070 55.852 55.803 -0.035 0.000 0.911 606 Q CB 0.409 29.146 28.738 -0.002 0.000 1.040 606 Q HN 0.732 nan 8.270 nan 0.000 0.521 607 N N 2.139 120.773 118.700 -0.109 0.000 2.467 607 N HA -0.033 4.707 4.740 0.000 0.000 0.262 607 N C -0.723 174.730 175.510 -0.097 0.000 1.234 607 N CA -0.135 52.849 53.050 -0.109 0.000 0.952 607 N CB 0.691 39.067 38.487 -0.184 0.000 1.158 607 N HN 0.071 nan 8.380 nan 0.000 0.463 608 E N -0.210 119.946 120.200 -0.073 0.000 2.418 608 E HA 0.242 4.592 4.350 0.000 0.000 0.261 608 E C -0.343 176.202 176.600 -0.092 0.000 1.070 608 E CA -0.650 55.711 56.400 -0.065 0.000 0.931 608 E CB 0.538 30.212 29.700 -0.043 0.000 0.954 608 E HN 0.302 nan 8.360 nan 0.000 0.439 609 V N -1.097 118.767 119.914 -0.083 0.000 2.864 609 V HA 0.683 4.803 4.120 0.000 0.000 0.314 609 V C -0.338 175.709 176.094 -0.078 0.000 1.073 609 V CA -0.689 61.550 62.300 -0.102 0.000 0.956 609 V CB 1.773 33.533 31.823 -0.105 0.000 1.023 609 V HN 0.799 nan 8.190 nan 0.000 0.435 610 T N 2.670 117.174 114.554 -0.084 0.000 2.887 610 T HA 0.651 5.001 4.350 0.000 0.000 0.288 610 T C 0.069 174.738 174.700 -0.052 0.000 1.021 610 T CA -0.602 61.465 62.100 -0.056 0.000 1.000 610 T CB 1.440 70.281 68.868 -0.045 0.000 1.034 610 T HN 0.749 nan 8.240 nan 0.000 0.467 611 L N 3.305 124.509 121.223 -0.031 0.000 2.857 611 L HA 0.209 4.549 4.340 0.000 0.000 0.249 611 L C 2.199 179.073 176.870 0.006 0.000 1.172 611 L CA -0.020 54.808 54.840 -0.020 0.000 0.980 611 L CB 0.123 42.170 42.059 -0.021 0.000 1.299 611 L HN 0.824 nan 8.230 nan 0.000 0.535 612 T N -4.744 109.817 114.554 0.012 0.000 3.088 612 T HA -0.070 4.280 4.350 0.000 0.000 0.259 612 T C 0.990 175.707 174.700 0.028 0.000 1.122 612 T CA 0.095 62.203 62.100 0.013 0.000 1.095 612 T CB -0.256 68.610 68.868 -0.002 0.000 0.930 612 T HN 0.191 nan 8.240 nan 0.000 0.508 613 H N 2.839 121.891 119.070 -0.031 0.000 2.848 613 H HA 0.117 4.673 4.556 0.000 0.000 0.341 613 H C -1.806 173.526 175.328 0.008 0.000 1.060 613 H CA -1.563 54.472 56.048 -0.021 0.000 1.444 613 H CB 1.531 31.269 29.762 -0.041 0.000 1.446 613 H HN -0.023 nan 8.280 nan 0.000 0.583 614 P HA -0.175 nan 4.420 nan 0.000 0.218 614 P C 1.625 179.036 177.300 0.184 0.000 1.148 614 P CA 0.858 63.944 63.100 -0.023 0.000 0.822 614 P CB 0.333 31.960 31.700 -0.121 0.000 0.784 615 I N -1.125 119.696 120.570 0.418 0.000 2.353 615 I HA -0.137 4.033 4.170 0.000 0.000 0.248 615 I C 1.902 178.163 176.117 0.241 0.000 1.119 615 I CA 1.677 63.178 61.300 0.336 0.000 1.417 615 I CB -1.865 36.338 38.000 0.338 0.000 1.078 615 I HN 0.025 nan 8.210 nan 0.000 0.421 616 T N 1.262 115.927 114.554 0.186 0.000 2.708 616 T HA -0.184 4.166 4.350 0.000 0.000 0.266 616 T C 1.946 176.701 174.700 0.092 0.000 1.037 616 T CA 1.350 63.495 62.100 0.075 0.000 1.146 616 T CB -0.133 68.751 68.868 0.026 0.000 0.865 616 T HN 0.328 nan 8.240 nan 0.000 0.435 617 K N -0.026 120.438 120.400 0.107 0.000 2.097 617 K HA -0.107 4.213 4.320 0.000 0.000 0.206 617 K C 2.140 178.795 176.600 0.093 0.000 1.049 617 K CA 1.281 57.615 56.287 0.079 0.000 0.933 617 K CB -0.322 32.218 32.500 0.067 0.000 0.717 617 K HN 0.396 nan 8.250 nan 0.000 0.442 618 Y N 1.787 122.110 120.300 0.037 0.000 2.145 618 Y HA -0.194 4.356 4.550 0.000 0.000 0.286 618 Y C 1.850 177.767 175.900 0.028 0.000 1.145 618 Y CA 1.413 59.530 58.100 0.029 0.000 1.148 618 Y CB -0.123 38.358 38.460 0.035 0.000 0.981 618 Y HN -0.072 nan 8.280 nan 0.000 0.507 619 I N -0.343 120.283 120.570 0.093 0.000 2.252 619 I HA -0.353 3.817 4.170 0.000 0.000 0.245 619 I C 2.428 178.548 176.117 0.005 0.000 1.102 619 I CA 1.499 62.827 61.300 0.047 0.000 1.385 619 I CB -0.438 37.688 38.000 0.211 0.000 1.064 619 I HN 0.314 nan 8.210 nan 0.000 0.414 620 M N 0.563 120.173 119.600 0.017 0.000 2.080 620 M HA -0.235 4.245 4.480 0.000 0.000 0.260 620 M C 2.618 178.891 176.300 -0.046 0.000 1.068 620 M CA 2.161 57.466 55.300 0.007 0.000 1.109 620 M CB -0.601 32.004 32.600 0.008 0.000 1.342 620 M HN 0.338 nan 8.290 nan 0.000 0.405 621 A N -0.410 122.346 122.820 -0.107 0.000 1.940 621 A HA -0.192 4.129 4.320 0.000 0.000 0.219 621 A C 2.265 179.738 177.584 -0.185 0.000 1.176 621 A CA 1.744 53.692 52.037 -0.148 0.000 0.631 621 A CB -1.304 17.586 19.000 -0.183 0.000 0.814 621 A HN 0.636 nan 8.150 nan 0.000 0.446 622 C N -0.590 118.551 119.300 -0.266 0.000 2.410 622 C HA -0.111 4.349 4.460 0.000 0.000 0.281 622 C C 2.598 177.596 174.990 0.013 0.000 1.318 622 C CA 1.164 60.057 59.018 -0.208 0.000 1.776 622 C CB -1.095 26.447 27.740 -0.329 0.000 1.942 622 C HN 0.572 nan 8.230 nan 0.000 0.508 623 M N 0.735 120.355 119.600 0.032 0.000 2.632 623 M HA -0.041 4.439 4.480 0.000 0.000 0.256 623 M C 1.909 178.126 176.300 -0.138 0.000 1.080 623 M CA 0.955 56.244 55.300 -0.019 0.000 1.084 623 M CB -1.474 31.128 32.600 0.003 0.000 1.439 623 M HN 0.272 nan 8.290 nan 0.000 0.509 624 S N 0.397 116.034 115.700 -0.105 0.000 2.562 624 S HA 0.259 4.729 4.470 0.000 0.000 0.221 624 S C 1.062 175.581 174.600 -0.134 0.000 0.975 624 S CA 0.010 58.141 58.200 -0.115 0.000 0.918 624 S CB -0.194 62.955 63.200 -0.085 0.000 0.772 624 S HN 0.528 nan 8.310 nan 0.000 0.531 625 A N 1.864 124.599 122.820 -0.141 0.000 2.507 625 A HA 0.167 4.488 4.320 0.000 0.000 0.235 625 A C -0.168 177.287 177.584 -0.214 0.000 1.070 625 A CA -0.320 51.632 52.037 -0.141 0.000 0.768 625 A CB 0.012 18.964 19.000 -0.079 0.000 1.011 625 A HN 0.182 nan 8.150 nan 0.000 0.502 626 D N 0.430 120.737 120.400 -0.155 0.000 2.487 626 D HA 0.313 4.953 4.640 0.000 0.000 0.243 626 D C -0.514 175.640 176.300 -0.243 0.000 1.154 626 D CA 1.149 55.055 54.000 -0.156 0.000 0.876 626 D CB 0.164 40.913 40.800 -0.086 0.000 1.161 626 D HN 0.357 nan 8.370 nan 0.000 0.478 627 L N 2.585 123.626 121.223 -0.305 0.000 2.372 627 L HA 0.235 4.575 4.340 0.000 0.000 0.273 627 L C 0.373 177.157 176.870 -0.143 0.000 0.989 627 L CA -0.644 53.936 54.840 -0.433 0.000 0.841 627 L CB 1.656 43.164 42.059 -0.918 0.000 1.225 627 L HN 0.286 nan 8.230 nan 0.000 0.414 628 E N 3.505 123.732 120.200 0.045 0.000 2.290 628 E HA 0.375 4.726 4.350 0.000 0.000 0.277 628 E C -1.014 175.693 176.600 0.177 0.000 1.035 628 E CA -0.395 56.061 56.400 0.092 0.000 0.873 628 E CB 1.200 30.936 29.700 0.059 0.000 1.029 628 E HN 0.393 nan 8.360 nan 0.000 0.419 629 V N 2.023 121.992 119.914 0.092 0.000 2.789 629 V HA 0.502 4.622 4.120 0.000 0.000 0.311 629 V C 0.114 176.190 176.094 -0.030 0.000 1.073 629 V CA -1.116 61.229 62.300 0.075 0.000 0.921 629 V CB 1.110 33.003 31.823 0.117 0.000 1.009 629 V HN 0.471 nan 8.190 nan 0.000 0.426 630 V N 1.874 121.702 119.914 -0.143 0.000 2.963 630 V HA 0.766 4.886 4.120 0.000 0.000 0.306 630 V C 0.559 176.575 176.094 -0.130 0.000 1.077 630 V CA 0.812 62.929 62.300 -0.305 0.000 1.124 630 V CB 0.560 31.930 31.823 -0.755 0.000 0.987 630 V HN 1.377 nan 8.190 nan 0.000 0.487 631 T N 0.000 114.511 114.554 -0.072 0.000 3.816 631 T HA 0.000 4.350 4.350 0.000 0.000 0.228 631 T CA 0.000 62.147 62.100 0.078 0.000 1.349 631 T CB 0.000 68.996 68.868 0.213 0.000 0.612 631 T HN 0.000 nan 8.240 nan 0.000 0.658