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 3o8d_1_B 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 3.959 3.960 -0.001 0.000 0.244 -15 G C 0.000 174.909 174.900 0.015 0.000 0.946 -15 G CA 0.000 45.106 45.100 0.011 0.000 0.502 -14 S N -0.068 115.630 115.700 -0.004 0.000 2.601 -14 S HA 0.524 4.994 4.470 -0.001 0.000 0.271 -14 S C 0.931 175.509 174.600 -0.036 0.000 1.305 -14 S CA -0.524 57.664 58.200 -0.019 0.000 1.022 -14 S CB 1.591 64.754 63.200 -0.061 0.000 0.940 -14 S HN 0.653 nan 8.310 nan 0.000 0.525 -13 V N 2.769 122.651 119.914 -0.054 0.000 2.740 -13 V HA 0.213 4.332 4.120 -0.001 0.000 0.303 -13 V C 0.009 175.970 176.094 -0.221 0.000 1.054 -13 V CA 0.010 62.242 62.300 -0.114 0.000 1.106 -13 V CB 1.059 32.802 31.823 -0.135 0.000 0.957 -13 V HN 0.606 nan 8.190 nan 0.000 0.486 -12 V N 5.583 125.374 119.914 -0.206 0.000 2.656 -12 V HA 0.440 4.560 4.120 -0.001 0.000 0.307 -12 V C -0.105 175.860 176.094 -0.216 0.000 1.051 -12 V CA -0.616 61.566 62.300 -0.197 0.000 0.893 -12 V CB 2.047 33.792 31.823 -0.130 0.000 0.999 -12 V HN 0.641 nan 8.190 nan 0.000 0.426 -11 I N 4.955 125.401 120.570 -0.207 0.000 2.436 -11 I HA 0.107 4.277 4.170 -0.001 0.000 0.289 -11 I C 1.008 177.047 176.117 -0.130 0.000 1.083 -11 I CA 0.202 61.395 61.300 -0.178 0.000 1.372 -11 I CB 1.280 39.183 38.000 -0.162 0.000 1.408 -11 I HN 0.636 nan 8.210 nan 0.000 0.516 -10 V N 2.725 122.565 119.914 -0.123 0.000 3.605 -10 V HA 0.656 4.775 4.120 -0.001 0.000 0.284 -10 V C 0.602 176.657 176.094 -0.066 0.000 1.386 -10 V CA 0.491 62.739 62.300 -0.087 0.000 1.053 -10 V CB -0.062 31.712 31.823 -0.081 0.000 0.857 -10 V HN 0.878 nan 8.190 nan 0.000 0.436 -9 G N 0.710 109.465 108.800 -0.074 0.000 2.325 -9 G HA2 0.621 4.581 3.960 -0.001 0.000 0.295 -9 G HA3 0.621 4.581 3.960 -0.001 0.000 0.295 -9 G C -1.506 173.356 174.900 -0.063 0.000 1.274 -9 G CA -0.637 44.431 45.100 -0.054 0.000 0.857 -9 G HN 0.636 nan 8.290 nan 0.000 0.499 -8 R N -1.285 119.183 120.500 -0.054 0.000 2.710 -8 R HA 0.692 5.032 4.340 -0.001 0.000 0.270 -8 R C -1.499 174.750 176.300 -0.085 0.000 1.021 -8 R CA -1.044 55.015 56.100 -0.068 0.000 0.889 -8 R CB 1.610 31.869 30.300 -0.069 0.000 1.243 -8 R HN 0.362 nan 8.270 nan 0.000 0.464 -7 I N 2.775 123.286 120.570 -0.098 0.000 2.328 -7 I HA 0.287 4.456 4.170 -0.001 0.000 0.287 -7 I C -0.110 175.883 176.117 -0.205 0.000 1.012 -7 I CA -1.137 60.083 61.300 -0.134 0.000 1.195 -7 I CB 1.113 39.064 38.000 -0.082 0.000 1.350 -7 I HN 0.562 nan 8.210 nan 0.000 0.464 -6 I N 7.155 127.484 120.570 -0.402 0.000 2.396 -6 I HA 0.260 4.430 4.170 -0.001 0.000 0.289 -6 I C 0.345 176.238 176.117 -0.373 0.000 1.056 -6 I CA -0.285 60.733 61.300 -0.471 0.000 1.365 -6 I CB 0.570 38.045 38.000 -0.876 0.000 1.407 -6 I HN 0.305 nan 8.210 nan 0.000 0.509 -5 L N 5.477 126.589 121.223 -0.185 0.000 2.334 -5 L HA 0.419 4.758 4.340 -0.001 0.000 0.275 -5 L C 0.846 177.682 176.870 -0.057 0.000 1.036 -5 L CA -0.707 54.073 54.840 -0.101 0.000 0.807 -5 L CB 1.459 43.484 42.059 -0.056 0.000 1.231 -5 L HN 0.655 nan 8.230 nan 0.000 0.438 -4 S N 0.152 115.837 115.700 -0.025 0.000 2.593 -4 S HA 0.240 4.710 4.470 -0.001 0.000 0.269 -4 S C 0.863 175.456 174.600 -0.013 0.000 1.334 -4 S CA -0.144 58.055 58.200 -0.002 0.000 1.015 -4 S CB 1.360 64.561 63.200 0.000 0.000 0.912 -4 S HN 0.826 nan 8.310 nan 0.000 0.541 -3 G N -0.141 108.657 108.800 -0.004 0.000 3.159 -3 G HA2 0.424 4.383 3.960 -0.001 0.000 0.232 -3 G HA3 0.424 4.383 3.960 -0.001 0.000 0.232 -3 G C 0.079 174.971 174.900 -0.014 0.000 1.116 -3 G CA 0.237 45.335 45.100 -0.004 0.000 0.767 -3 G HN 1.332 nan 8.290 nan 0.000 0.547 -2 S N -1.746 113.941 115.700 -0.021 0.000 2.543 -2 S HA 0.708 5.177 4.470 -0.001 0.000 0.274 -2 S C 0.036 174.614 174.600 -0.038 0.000 1.149 -2 S CA 0.334 58.516 58.200 -0.030 0.000 0.866 -2 S CB 1.727 64.916 63.200 -0.018 0.000 1.111 -2 S HN 1.823 nan 8.310 nan 0.000 0.457 -1 G N 1.642 110.414 108.800 -0.048 0.000 2.632 -1 G HA2 0.065 4.025 3.960 -0.001 0.000 0.224 -1 G HA3 0.065 4.025 3.960 -0.001 0.000 0.224 -1 G C 0.256 175.106 174.900 -0.082 0.000 1.341 -1 G CA -0.011 45.057 45.100 -0.053 0.000 0.880 -1 G HN 2.018 nan 8.290 nan 0.000 0.566 4 T N 2.382 116.903 114.554 -0.055 0.000 2.916 4 T HA 0.990 5.340 4.350 -0.001 0.000 0.292 4 T C -0.676 174.033 174.700 0.015 0.000 1.064 4 T CA -0.665 61.433 62.100 -0.003 0.000 1.011 4 T CB 2.572 71.458 68.868 0.031 0.000 1.152 4 T HN 0.897 nan 8.240 nan 0.000 0.510 5 A N 1.213 124.063 122.820 0.049 0.000 2.572 5 A HA 0.890 5.209 4.320 -0.001 0.000 0.295 5 A C -1.636 176.020 177.584 0.120 0.000 1.072 5 A CA -1.111 50.935 52.037 0.014 0.000 0.691 5 A CB 1.288 20.280 19.000 -0.013 0.000 1.291 5 A HN 1.686 nan 8.150 nan 0.000 0.404 6 Y N -0.839 119.467 120.300 0.010 0.000 2.624 6 Y HA 0.761 5.310 4.550 -0.001 0.000 0.334 6 Y C -0.262 175.646 175.900 0.012 0.000 1.155 6 Y CA -0.619 57.490 58.100 0.015 0.000 1.046 6 Y CB 0.816 39.283 38.460 0.011 0.000 1.316 6 Y HN 1.010 nan 8.280 nan 0.000 0.457 7 S N 1.429 117.244 115.700 0.192 0.000 2.608 7 S HA 0.720 5.190 4.470 -0.001 0.000 0.291 7 S C -1.058 173.635 174.600 0.155 0.000 1.146 7 S CA -0.884 57.366 58.200 0.083 0.000 1.043 7 S CB 1.804 65.043 63.200 0.065 0.000 1.037 7 S HN 0.731 nan 8.310 nan 0.000 0.520 8 Q N 0.847 120.687 119.800 0.067 0.000 2.337 8 Q HA 0.407 4.746 4.340 -0.001 0.000 0.270 8 Q C -1.258 174.759 176.000 0.028 0.000 1.043 8 Q CA -0.453 55.395 55.803 0.076 0.000 0.794 8 Q CB 2.482 31.262 28.738 0.071 0.000 1.281 8 Q HN 0.744 nan 8.270 nan 0.000 0.446 9 Q N 1.022 120.839 119.800 0.028 0.000 2.307 9 Q HA 0.293 4.632 4.340 -0.001 0.000 0.262 9 Q C 0.054 176.054 176.000 0.000 0.000 0.961 9 Q CA -0.091 55.717 55.803 0.008 0.000 0.882 9 Q CB 1.230 29.976 28.738 0.014 0.000 1.264 9 Q HN 0.868 nan 8.270 nan 0.000 0.446 10 T N 0.370 114.915 114.554 -0.015 0.000 3.001 10 T HA 0.264 4.613 4.350 -0.001 0.000 0.251 10 T C 0.145 174.832 174.700 -0.022 0.000 1.040 10 T CA -0.282 61.806 62.100 -0.019 0.000 0.985 10 T CB 0.221 69.072 68.868 -0.029 0.000 1.011 10 T HN 0.680 nan 8.240 nan 0.000 0.509 11 R N -0.750 119.736 120.500 -0.024 0.000 2.664 11 R HA 0.705 5.045 4.340 -0.001 0.000 0.266 11 R C 0.059 176.348 176.300 -0.018 0.000 1.046 11 R CA -1.083 55.003 56.100 -0.023 0.000 0.885 11 R CB 0.561 30.842 30.300 -0.031 0.000 1.254 11 R HN 0.034 nan 8.270 nan 0.000 0.465 12 G N 0.537 109.329 108.800 -0.013 0.000 2.829 12 G HA2 0.345 4.304 3.960 -0.001 0.000 0.173 12 G HA3 0.345 4.304 3.960 -0.001 0.000 0.173 12 G C 0.627 175.521 174.900 -0.011 0.000 1.476 12 G CA -0.296 44.799 45.100 -0.008 0.000 1.072 12 G HN 0.526 nan 8.290 nan 0.000 0.577 13 L N -0.303 120.917 121.223 -0.005 0.000 2.291 13 L HA 0.244 4.583 4.340 -0.001 0.000 0.214 13 L C 1.310 178.176 176.870 -0.008 0.000 1.120 13 L CA 0.167 55.004 54.840 -0.005 0.000 0.799 13 L CB -1.996 40.063 42.059 0.001 0.000 0.925 13 L HN 0.365 nan 8.230 nan 0.000 0.446 14 L N -0.304 120.914 121.223 -0.008 0.000 2.536 14 L HA 0.497 4.836 4.340 -0.001 0.000 0.294 14 L C 1.428 178.288 176.870 -0.016 0.000 1.257 14 L CA 0.598 55.431 54.840 -0.010 0.000 0.850 14 L CB -1.435 40.619 42.059 -0.009 0.000 1.105 14 L HN 0.506 nan 8.230 nan 0.000 0.517 15 G N 0.758 109.546 108.800 -0.019 0.000 3.773 15 G HA2 -0.496 3.463 3.960 -0.001 0.000 0.355 15 G HA3 -0.496 3.463 3.960 -0.001 0.000 0.355 15 G C 1.328 176.211 174.900 -0.029 0.000 1.323 15 G CA 2.005 47.088 45.100 -0.027 0.000 1.103 15 G HN 1.382 nan 8.290 nan 0.000 0.716 16 C N 1.020 120.301 119.300 -0.033 0.000 2.243 16 C HA -0.258 4.201 4.460 -0.001 0.000 0.264 16 C C 2.983 177.955 174.990 -0.029 0.000 1.110 16 C CA 3.061 62.056 59.018 -0.038 0.000 1.798 16 C CB -1.447 26.273 27.740 -0.033 0.000 1.843 16 C HN 0.564 nan 8.230 nan 0.000 0.403 17 I N 0.626 121.186 120.570 -0.016 0.000 2.163 17 I HA -0.219 3.951 4.170 -0.001 0.000 0.243 17 I C 2.418 178.529 176.117 -0.010 0.000 1.085 17 I CA 1.680 62.975 61.300 -0.009 0.000 1.347 17 I CB -0.628 37.372 38.000 -0.001 0.000 1.044 17 I HN 0.439 nan 8.210 nan 0.000 0.408 18 I N 0.913 121.476 120.570 -0.012 0.000 2.099 18 I HA -0.280 3.889 4.170 -0.001 0.000 0.239 18 I C 2.680 178.786 176.117 -0.019 0.000 1.066 18 I CA 2.048 63.340 61.300 -0.012 0.000 1.324 18 I CB -1.907 36.086 38.000 -0.013 0.000 1.037 18 I HN 0.258 nan 8.210 nan 0.000 0.401 19 T N 0.900 115.437 114.554 -0.029 0.000 2.803 19 T HA -0.143 4.206 4.350 -0.001 0.000 0.269 19 T C 2.008 176.681 174.700 -0.044 0.000 1.052 19 T CA 1.774 63.850 62.100 -0.040 0.000 1.136 19 T CB -0.407 68.428 68.868 -0.053 0.000 0.864 19 T HN 0.555 nan 8.240 nan 0.000 0.467 20 S N 1.512 117.189 115.700 -0.039 0.000 2.406 20 S HA 0.067 4.537 4.470 -0.001 0.000 0.228 20 S C 1.963 176.551 174.600 -0.020 0.000 1.020 20 S CA 0.563 58.742 58.200 -0.035 0.000 0.965 20 S CB -0.622 62.563 63.200 -0.026 0.000 0.798 20 S HN 0.490 nan 8.310 nan 0.000 0.488 21 L N 1.571 122.786 121.223 -0.013 0.000 2.418 21 L HA 0.092 4.431 4.340 -0.001 0.000 0.218 21 L C 2.629 179.496 176.870 -0.006 0.000 1.125 21 L CA 1.251 56.088 54.840 -0.004 0.000 0.835 21 L CB -0.619 41.442 42.059 0.002 0.000 0.953 21 L HN 0.598 nan 8.230 nan 0.000 0.454 22 T N -5.121 109.424 114.554 -0.014 0.000 3.015 22 T HA 0.213 4.562 4.350 -0.001 0.000 0.250 22 T C 1.599 176.286 174.700 -0.022 0.000 1.057 22 T CA 0.564 62.655 62.100 -0.015 0.000 1.066 22 T CB 0.712 69.571 68.868 -0.016 0.000 0.959 22 T HN 0.328 nan 8.240 nan 0.000 0.488 23 G N 1.838 110.619 108.800 -0.033 0.000 2.189 23 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.267 23 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.267 23 G C 0.160 175.027 174.900 -0.055 0.000 0.975 23 G CA 0.333 45.406 45.100 -0.045 0.000 0.644 23 G HN 0.830 nan 8.290 nan 0.000 0.537 24 R N 0.649 121.121 120.500 -0.047 0.000 2.295 24 R HA 0.518 4.857 4.340 -0.001 0.000 0.324 24 R C -1.697 174.570 176.300 -0.055 0.000 0.968 24 R CA -0.553 55.518 56.100 -0.048 0.000 0.837 24 R CB 0.852 31.131 30.300 -0.034 0.000 1.133 24 R HN 0.091 nan 8.270 nan 0.000 0.450 25 D N 3.977 124.338 120.400 -0.065 0.000 2.402 25 D HA 0.153 4.793 4.640 -0.001 0.000 0.252 25 D C -0.096 176.167 176.300 -0.061 0.000 1.294 25 D CA -0.470 53.489 54.000 -0.069 0.000 0.948 25 D CB 1.404 42.148 40.800 -0.094 0.000 1.202 25 D HN 0.383 nan 8.370 nan 0.000 0.561 26 K N 1.815 122.186 120.400 -0.048 0.000 2.365 26 K HA 0.063 4.382 4.320 -0.001 0.000 0.197 26 K C 0.248 176.823 176.600 -0.041 0.000 1.042 26 K CA -0.004 56.258 56.287 -0.040 0.000 0.987 26 K CB -0.233 32.249 32.500 -0.031 0.000 0.779 26 K HN 0.360 nan 8.250 nan 0.000 0.484 27 N N 2.833 121.506 118.700 -0.045 0.000 2.293 27 N HA -0.095 4.645 4.740 -0.001 0.000 0.253 27 N C -0.159 175.324 175.510 -0.045 0.000 1.248 27 N CA 0.642 53.666 53.050 -0.043 0.000 0.845 27 N CB 0.239 38.697 38.487 -0.049 0.000 1.073 27 N HN 0.113 nan 8.380 nan 0.000 0.464 28 Q N 0.668 120.447 119.800 -0.036 0.000 2.279 28 Q HA 0.335 4.675 4.340 -0.001 0.000 0.256 28 Q C -0.428 175.551 176.000 -0.036 0.000 0.937 28 Q CA -0.525 55.258 55.803 -0.033 0.000 0.933 28 Q CB 1.154 29.878 28.738 -0.024 0.000 1.189 28 Q HN 0.280 nan 8.270 nan 0.000 0.417 29 V N 3.093 122.983 119.914 -0.040 0.000 2.607 29 V HA 0.228 4.347 4.120 -0.001 0.000 0.289 29 V C 0.020 176.095 176.094 -0.030 0.000 1.053 29 V CA -0.112 62.162 62.300 -0.043 0.000 0.996 29 V CB 1.221 33.012 31.823 -0.052 0.000 0.995 29 V HN 0.785 nan 8.190 nan 0.000 0.476 30 E N 1.764 121.946 120.200 -0.030 0.000 2.408 30 E HA 0.695 5.044 4.350 -0.001 0.000 0.275 30 E C -0.037 176.547 176.600 -0.027 0.000 0.935 30 E CA -0.280 56.107 56.400 -0.023 0.000 0.775 30 E CB 2.287 31.976 29.700 -0.018 0.000 1.277 30 E HN 1.097 nan 8.360 nan 0.000 0.455 31 G N 1.202 109.989 108.800 -0.022 0.000 2.757 31 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.638 31 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.638 31 G C 0.307 175.200 174.900 -0.012 0.000 1.344 31 G CA 0.065 45.148 45.100 -0.028 0.000 0.855 31 G HN 0.637 nan 8.290 nan 0.000 0.537 32 E N -1.543 118.653 120.200 -0.007 0.000 2.372 32 E HA 0.197 4.547 4.350 -0.001 0.000 0.201 32 E C 0.891 177.508 176.600 0.028 0.000 0.938 32 E CA 0.841 57.253 56.400 0.020 0.000 0.944 32 E CB 0.574 30.292 29.700 0.031 0.000 0.937 32 E HN 0.654 nan 8.360 nan 0.000 0.495 33 V N 3.531 123.446 119.914 0.002 0.000 2.347 33 V HA 0.210 4.329 4.120 -0.001 0.000 0.280 33 V C -0.310 175.771 176.094 -0.021 0.000 1.021 33 V CA -0.710 61.593 62.300 0.005 0.000 0.847 33 V CB 1.422 33.242 31.823 -0.004 0.000 0.990 33 V HN 0.086 nan 8.190 nan 0.000 0.444 34 Q N 3.292 123.082 119.800 -0.016 0.000 2.245 34 Q HA 0.540 4.879 4.340 -0.001 0.000 0.256 34 Q C -0.583 175.369 176.000 -0.080 0.000 0.942 34 Q CA -0.630 55.140 55.803 -0.055 0.000 0.896 34 Q CB 2.469 31.166 28.738 -0.068 0.000 1.272 34 Q HN 0.511 nan 8.270 nan 0.000 0.442 35 V N 3.037 122.890 119.914 -0.102 0.000 2.406 35 V HA 0.365 4.484 4.120 -0.001 0.000 0.272 35 V C 0.348 176.321 176.094 -0.202 0.000 1.043 35 V CA -0.567 61.653 62.300 -0.134 0.000 0.915 35 V CB 1.011 32.774 31.823 -0.099 0.000 0.988 35 V HN 0.584 nan 8.190 nan 0.000 0.466 36 V N 2.295 122.007 119.914 -0.336 0.000 2.919 36 V HA 0.991 5.110 4.120 -0.001 0.000 0.316 36 V C -0.317 175.471 176.094 -0.510 0.000 1.077 36 V CA -0.487 61.549 62.300 -0.440 0.000 0.977 36 V CB 2.088 33.580 31.823 -0.552 0.000 1.039 36 V HN 0.782 nan 8.190 nan 0.000 0.441 37 S N 0.815 116.305 115.700 -0.350 0.000 2.537 37 S HA 0.778 5.247 4.470 -0.001 0.000 0.270 37 S C -0.246 174.306 174.600 -0.079 0.000 1.142 37 S CA 0.152 58.236 58.200 -0.193 0.000 0.870 37 S CB 2.007 65.144 63.200 -0.105 0.000 1.112 37 S HN 1.695 nan 8.310 nan 0.000 0.466 38 T N 0.676 115.256 114.554 0.042 0.000 2.893 38 T HA 0.730 5.080 4.350 -0.001 0.000 0.281 38 T C 1.494 176.214 174.700 0.034 0.000 1.027 38 T CA -0.027 62.106 62.100 0.055 0.000 0.953 38 T CB 0.320 69.254 68.868 0.111 0.000 1.434 38 T HN 0.920 nan 8.240 nan 0.000 0.597 39 A N 0.073 122.913 122.820 0.032 0.000 2.066 39 A HA 0.119 4.438 4.320 -0.001 0.000 0.218 39 A C 2.275 179.880 177.584 0.035 0.000 1.157 39 A CA 1.761 53.813 52.037 0.025 0.000 0.670 39 A CB -1.306 17.706 19.000 0.020 0.000 0.804 39 A HN 1.025 nan 8.150 nan 0.000 0.453 40 T N -3.232 111.352 114.554 0.050 0.000 2.999 40 T HA 0.259 4.608 4.350 -0.001 0.000 0.247 40 T C 0.606 175.350 174.700 0.073 0.000 1.012 40 T CA 0.299 62.431 62.100 0.053 0.000 1.048 40 T CB -0.113 68.782 68.868 0.045 0.000 1.020 40 T HN 0.620 nan 8.240 nan 0.000 0.478 41 Q N 0.250 120.116 119.800 0.110 0.000 2.456 41 Q HA 0.795 5.134 4.340 -0.001 0.000 0.283 41 Q C -1.388 174.746 176.000 0.224 0.000 1.084 41 Q CA -1.049 54.849 55.803 0.158 0.000 0.801 41 Q CB 2.207 31.039 28.738 0.157 0.000 1.434 41 Q HN 0.037 nan 8.270 nan 0.000 0.419 42 S N 0.720 116.559 115.700 0.232 0.000 2.526 42 S HA 0.895 5.364 4.470 -0.001 0.000 0.293 42 S C -1.463 173.322 174.600 0.308 0.000 1.092 42 S CA -0.452 57.840 58.200 0.154 0.000 0.980 42 S CB 0.632 63.854 63.200 0.037 0.000 1.048 42 S HN 0.591 nan 8.310 nan 0.000 0.483 43 F N 1.518 121.467 119.950 -0.001 0.000 3.360 43 F HA 0.697 5.224 4.527 -0.001 0.000 0.327 43 F C -1.942 173.865 175.800 0.011 0.000 1.186 43 F CA -1.318 56.686 58.000 0.006 0.000 0.903 43 F CB 0.433 39.440 39.000 0.012 0.000 1.533 43 F HN 0.402 nan 8.300 nan 0.000 0.515 44 L N 1.068 122.393 121.223 0.170 0.000 2.303 44 L HA 0.939 5.278 4.340 -0.001 0.000 0.266 44 L C -0.642 176.305 176.870 0.129 0.000 1.011 44 L CA -1.250 53.624 54.840 0.057 0.000 0.818 44 L CB 1.851 43.971 42.059 0.101 0.000 1.326 44 L HN 0.962 nan 8.230 nan 0.000 0.435 45 A N 0.328 123.198 122.820 0.083 0.000 2.414 45 A HA 0.822 5.141 4.320 -0.001 0.000 0.306 45 A C -0.859 176.819 177.584 0.157 0.000 1.054 45 A CA -0.422 51.721 52.037 0.176 0.000 0.724 45 A CB 1.802 20.911 19.000 0.182 0.000 1.267 45 A HN 0.582 nan 8.150 nan 0.000 0.418 46 T N 1.303 115.991 114.554 0.223 0.000 2.812 46 T HA 0.403 4.752 4.350 -0.001 0.000 0.282 46 T C -0.524 174.340 174.700 0.274 0.000 0.990 46 T CA -0.201 62.019 62.100 0.200 0.000 0.960 46 T CB 0.687 69.664 68.868 0.181 0.000 0.948 46 T HN 0.706 nan 8.240 nan 0.000 0.438 47 C N 3.976 123.394 119.300 0.197 0.000 2.499 47 C HA 0.687 5.147 4.460 -0.001 0.000 0.386 47 C C 0.270 175.407 174.990 0.244 0.000 1.293 47 C CA -0.611 58.529 59.018 0.204 0.000 1.884 47 C CB -1.067 26.738 27.740 0.108 0.000 2.509 47 C HN 0.677 nan 8.230 nan 0.000 0.566 48 V N 4.626 124.768 119.914 0.379 0.000 2.733 48 V HA 0.459 4.578 4.120 -0.001 0.000 0.306 48 V C -0.236 176.073 176.094 0.359 0.000 1.084 48 V CA -0.758 61.729 62.300 0.312 0.000 0.905 48 V CB 1.824 33.789 31.823 0.237 0.000 1.010 48 V HN 0.882 nan 8.190 nan 0.000 0.424 49 N N 3.035 121.852 118.700 0.196 0.000 2.721 49 N HA -0.211 4.528 4.740 -0.001 0.000 0.249 49 N C 1.153 176.754 175.510 0.151 0.000 1.072 49 N CA 1.792 54.940 53.050 0.162 0.000 0.710 49 N CB -1.049 37.546 38.487 0.179 0.000 0.993 49 N HN 1.792 nan 8.380 nan 0.000 0.547 50 G N -2.910 105.959 108.800 0.115 0.000 2.162 50 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.260 50 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.260 50 G C -0.062 174.856 174.900 0.031 0.000 0.976 50 G CA 0.424 45.566 45.100 0.069 0.000 0.655 50 G HN 0.536 nan 8.290 nan 0.000 0.533 51 V N 0.062 119.977 119.914 0.002 0.000 2.604 51 V HA 0.559 4.679 4.120 -0.001 0.000 0.305 51 V C 0.627 176.505 176.094 -0.359 0.000 1.043 51 V CA -0.594 61.534 62.300 -0.287 0.000 0.888 51 V CB 1.857 33.254 31.823 -0.709 0.000 0.995 51 V HN 0.526 nan 8.190 nan 0.000 0.429 52 C N 6.465 125.622 119.300 -0.238 0.000 2.322 52 C HA 0.526 4.985 4.460 -0.001 0.000 0.343 52 C C -0.392 174.590 174.990 -0.012 0.000 1.190 52 C CA -0.893 58.121 59.018 -0.007 0.000 1.704 52 C CB -1.447 26.385 27.740 0.153 0.000 2.293 52 C HN 0.808 nan 8.230 nan 0.000 0.523 53 W N 4.407 125.818 121.300 0.185 0.000 2.449 53 W HA 0.626 5.285 4.660 -0.001 0.000 0.331 53 W C 0.679 177.300 176.519 0.170 0.000 1.119 53 W CA -0.195 57.226 57.345 0.128 0.000 1.240 53 W CB 1.429 30.934 29.460 0.075 0.000 1.251 53 W HN 0.641 nan 8.180 nan 0.000 0.576 54 T N 0.004 114.786 114.554 0.380 0.000 2.626 54 T HA 0.519 4.869 4.350 -0.001 0.000 0.299 54 T C -1.185 173.626 174.700 0.185 0.000 1.181 54 T CA -0.685 61.611 62.100 0.327 0.000 1.053 54 T CB 0.390 69.545 68.868 0.478 0.000 1.566 54 T HN 0.384 nan 8.240 nan 0.000 0.486 55 V N 1.803 121.752 119.914 0.058 0.000 2.567 55 V HA 0.490 4.609 4.120 -0.001 0.000 0.289 55 V C 1.029 177.028 176.094 -0.159 0.000 1.049 55 V CA -0.465 61.760 62.300 -0.125 0.000 0.969 55 V CB 0.686 32.223 31.823 -0.477 0.000 0.995 55 V HN 0.915 nan 8.190 nan 0.000 0.471 56 Y N 4.133 124.352 120.300 -0.136 0.000 2.181 56 Y HA -0.219 4.330 4.550 -0.001 0.000 0.288 56 Y C 2.601 178.424 175.900 -0.127 0.000 1.146 56 Y CA 2.480 60.524 58.100 -0.094 0.000 1.164 56 Y CB -0.322 38.119 38.460 -0.032 0.000 0.982 56 Y HN 0.930 nan 8.280 nan 0.000 0.515 57 H N -2.419 116.603 119.070 -0.079 0.000 2.518 57 H HA -0.003 4.553 4.556 -0.001 0.000 0.289 57 H C 1.899 177.033 175.328 -0.324 0.000 1.051 57 H CA 1.178 57.122 56.048 -0.173 0.000 1.280 57 H CB -0.450 29.251 29.762 -0.101 0.000 1.380 57 H HN 0.470 nan 8.280 nan 0.000 0.566 58 G N 0.095 108.439 108.800 -0.758 0.000 2.641 58 G HA2 0.187 4.146 3.960 -0.001 0.000 0.207 58 G HA3 0.187 4.146 3.960 -0.001 0.000 0.207 58 G C 1.741 176.302 174.900 -0.565 0.000 1.137 58 G CA 0.419 44.954 45.100 -0.941 0.000 0.824 58 G HN 0.541 nan 8.290 nan 0.000 0.547 59 A N -0.074 122.558 122.820 -0.313 0.000 2.147 59 A HA 0.523 4.842 4.320 -0.001 0.000 0.211 59 A C 1.931 179.441 177.584 -0.122 0.000 1.160 59 A CA 1.390 53.473 52.037 0.077 0.000 0.781 59 A CB -0.609 18.617 19.000 0.377 0.000 0.842 59 A HN 1.550 nan 8.150 nan 0.000 0.475 60 G N -0.244 108.250 108.800 -0.510 0.000 2.614 60 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.303 60 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.303 60 G C 0.748 175.463 174.900 -0.309 0.000 1.270 60 G CA 0.543 45.148 45.100 -0.826 0.000 0.988 60 G HN 0.791 nan 8.290 nan 0.000 0.551 61 S N 1.052 116.729 115.700 -0.037 0.000 2.583 61 S HA 0.252 4.721 4.470 -0.001 0.000 0.239 61 S C 0.803 175.465 174.600 0.103 0.000 0.966 61 S CA 0.184 58.442 58.200 0.097 0.000 0.973 61 S CB 0.127 63.406 63.200 0.131 0.000 0.794 61 S HN 0.532 nan 8.310 nan 0.000 0.463 62 K N 3.066 123.545 120.400 0.132 0.000 2.414 62 K HA 0.105 4.424 4.320 -0.001 0.000 0.272 62 K C 0.778 177.599 176.600 0.368 0.000 0.993 62 K CA 0.052 56.457 56.287 0.197 0.000 0.964 62 K CB 0.347 32.957 32.500 0.184 0.000 0.925 62 K HN 0.296 nan 8.250 nan 0.000 0.487 63 T N 0.068 114.774 114.554 0.253 0.000 2.860 63 T HA 0.228 4.578 4.350 -0.001 0.000 0.299 63 T C -0.134 174.599 174.700 0.055 0.000 1.045 63 T CA -0.933 61.328 62.100 0.269 0.000 1.071 63 T CB 0.650 69.578 68.868 0.101 0.000 0.985 63 T HN 0.312 nan 8.240 nan 0.000 0.537 64 L N 2.281 123.311 121.223 -0.321 0.000 2.275 64 L HA 0.657 4.996 4.340 -0.001 0.000 0.288 64 L C 0.379 177.015 176.870 -0.390 0.000 1.046 64 L CA -0.545 53.839 54.840 -0.760 0.000 0.805 64 L CB 0.298 41.393 42.059 -1.606 0.000 1.193 64 L HN 0.998 nan 8.230 nan 0.000 0.426 65 A N 3.810 126.454 122.820 -0.294 0.000 2.546 65 A HA 0.548 4.867 4.320 -0.001 0.000 0.243 65 A C 0.474 177.945 177.584 -0.188 0.000 1.063 65 A CA 0.633 52.558 52.037 -0.187 0.000 0.757 65 A CB -0.561 18.349 19.000 -0.149 0.000 0.991 65 A HN 1.010 nan 8.150 nan 0.000 0.503 66 G N 1.247 109.968 108.800 -0.133 0.000 2.798 66 G HA2 0.637 4.596 3.960 -0.001 0.000 0.286 66 G HA3 0.637 4.596 3.960 -0.001 0.000 0.286 66 G C -2.111 172.742 174.900 -0.078 0.000 1.389 66 G CA -0.728 44.304 45.100 -0.113 0.000 0.894 66 G HN 0.335 nan 8.290 nan 0.000 0.488 67 P HA -0.082 nan 4.420 nan 0.000 0.215 67 P C 0.754 178.030 177.300 -0.040 0.000 1.157 67 P CA 1.448 64.519 63.100 -0.049 0.000 0.868 67 P CB 0.199 31.873 31.700 -0.042 0.000 0.788 68 K N -0.298 120.079 120.400 -0.038 0.000 2.493 68 K HA 0.492 4.811 4.320 -0.001 0.000 0.207 68 K C 0.814 177.395 176.600 -0.031 0.000 1.033 68 K CA 0.101 56.370 56.287 -0.030 0.000 1.161 68 K CB 0.352 32.837 32.500 -0.025 0.000 0.873 68 K HN 0.173 nan 8.250 nan 0.000 0.491 69 G N 2.476 111.253 108.800 -0.039 0.000 2.434 69 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.671 69 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.671 69 G C -3.103 171.768 174.900 -0.048 0.000 1.280 69 G CA -1.333 43.744 45.100 -0.038 0.000 0.975 69 G HN -0.056 nan 8.290 nan 0.000 0.510 70 P HA 0.343 nan 4.420 nan 0.000 0.264 70 P C -0.056 177.226 177.300 -0.029 0.000 1.193 70 P CA 0.301 63.374 63.100 -0.045 0.000 0.763 70 P CB 0.412 32.099 31.700 -0.021 0.000 0.810 71 I N 2.701 123.245 120.570 -0.043 0.000 2.321 71 I HA 0.143 4.312 4.170 -0.001 0.000 0.291 71 I C 0.940 177.148 176.117 0.151 0.000 0.998 71 I CA -0.395 60.913 61.300 0.013 0.000 1.227 71 I CB 1.023 39.000 38.000 -0.037 0.000 1.368 71 I HN 0.168 nan 8.210 nan 0.000 0.466 72 T N 6.001 120.631 114.554 0.128 0.000 2.919 72 T HA 0.082 4.431 4.350 -0.001 0.000 0.302 72 T C 0.199 175.002 174.700 0.172 0.000 1.031 72 T CA -0.375 61.807 62.100 0.137 0.000 1.127 72 T CB 0.405 69.291 68.868 0.031 0.000 0.952 72 T HN 0.496 nan 8.240 nan 0.000 0.540 73 Q N 2.146 121.988 119.800 0.069 0.000 2.315 73 Q HA 0.064 4.404 4.340 -0.001 0.000 0.289 73 Q C 1.190 177.049 176.000 -0.236 0.000 1.044 73 Q CA 0.060 55.702 55.803 -0.268 0.000 0.920 73 Q CB 0.489 28.991 28.738 -0.392 0.000 1.214 73 Q HN 0.669 nan 8.270 nan 0.000 0.392 74 M N 2.280 121.667 119.600 -0.355 0.000 2.435 74 M HA 0.023 4.503 4.480 -0.001 0.000 0.265 74 M C -0.823 174.996 176.300 -0.802 0.000 1.104 74 M CA 1.081 56.041 55.300 -0.568 0.000 1.140 74 M CB 0.676 32.872 32.600 -0.673 0.000 1.372 74 M HN 0.549 nan 8.290 nan 0.000 0.456 75 Y N -0.897 119.286 120.300 -0.196 0.000 2.457 75 Y HA 0.451 5.000 4.550 -0.001 0.000 0.343 75 Y C -0.827 175.014 175.900 -0.098 0.000 0.994 75 Y CA -1.185 56.860 58.100 -0.091 0.000 1.031 75 Y CB 2.022 40.487 38.460 0.007 0.000 1.246 75 Y HN -0.230 nan 8.280 nan 0.000 0.449 76 T N 2.491 117.112 114.554 0.113 0.000 3.066 76 T HA 0.198 4.547 4.350 -0.001 0.000 0.318 76 T C -1.103 173.610 174.700 0.022 0.000 0.979 76 T CA -0.831 61.299 62.100 0.050 0.000 1.025 76 T CB 0.340 69.219 68.868 0.018 0.000 1.002 76 T HN 0.496 nan 8.240 nan 0.000 0.453 77 N N 3.403 122.111 118.700 0.014 0.000 2.851 77 N HA 0.201 4.941 4.740 -0.001 0.000 0.248 77 N C 1.102 176.536 175.510 -0.128 0.000 1.221 77 N CA -0.450 52.577 53.050 -0.037 0.000 0.847 77 N CB 0.709 39.205 38.487 0.014 0.000 1.150 77 N HN 0.275 nan 8.380 nan 0.000 0.507 78 V N 1.316 121.054 119.914 -0.293 0.000 2.332 78 V HA -0.229 3.890 4.120 -0.001 0.000 0.248 78 V C 1.527 177.501 176.094 -0.199 0.000 1.055 78 V CA 1.663 63.690 62.300 -0.455 0.000 1.038 78 V CB -0.246 31.214 31.823 -0.605 0.000 0.651 78 V HN 0.489 nan 8.190 nan 0.000 0.450 79 D N -0.412 119.908 120.400 -0.134 0.000 2.149 79 D HA -0.204 4.436 4.640 -0.001 0.000 0.198 79 D C 2.172 178.435 176.300 -0.061 0.000 0.990 79 D CA 1.372 55.325 54.000 -0.079 0.000 0.839 79 D CB -0.120 40.641 40.800 -0.065 0.000 0.948 79 D HN 0.477 nan 8.370 nan 0.000 0.460 80 Q N -0.275 119.491 119.800 -0.058 0.000 2.247 80 Q HA 0.042 4.381 4.340 -0.001 0.000 0.204 80 Q C -0.563 175.430 176.000 -0.012 0.000 0.872 80 Q CA -0.011 55.765 55.803 -0.044 0.000 0.951 80 Q CB 0.603 29.307 28.738 -0.056 0.000 1.099 80 Q HN -0.020 nan 8.270 nan 0.000 0.501 81 D N -0.221 120.185 120.400 0.010 0.000 2.723 81 D HA -0.204 4.436 4.640 -0.001 0.000 0.236 81 D C -1.572 174.791 176.300 0.104 0.000 1.138 81 D CA 0.505 54.562 54.000 0.095 0.000 0.676 81 D CB -0.936 39.932 40.800 0.113 0.000 1.069 81 D HN 0.226 nan 8.370 nan 0.000 0.430 82 L N 0.009 121.290 121.223 0.097 0.000 2.438 82 L HA 0.727 5.067 4.340 -0.001 0.000 0.270 82 L C -0.829 176.149 176.870 0.181 0.000 0.972 82 L CA -0.772 54.145 54.840 0.129 0.000 0.831 82 L CB 2.039 44.135 42.059 0.063 0.000 1.273 82 L HN 0.039 nan 8.230 nan 0.000 0.405 83 V N 1.258 121.279 119.914 0.178 0.000 3.102 83 V HA 1.113 5.233 4.120 -0.001 0.000 0.312 83 V C -0.378 175.673 176.094 -0.071 0.000 1.135 83 V CA 0.036 62.349 62.300 0.020 0.000 1.022 83 V CB 1.640 33.359 31.823 -0.172 0.000 1.056 83 V HN 1.049 nan 8.190 nan 0.000 0.436 84 G N 1.200 109.759 108.800 -0.401 0.000 2.746 84 G HA2 0.594 4.553 3.960 -0.001 0.000 0.297 84 G HA3 0.594 4.553 3.960 -0.001 0.000 0.297 84 G C -1.607 172.900 174.900 -0.655 0.000 1.426 84 G CA -0.628 44.090 45.100 -0.637 0.000 0.989 84 G HN 0.784 nan 8.290 nan 0.000 0.520 85 W N 0.606 121.772 121.300 -0.223 0.000 2.639 85 W HA 0.469 5.129 4.660 -0.001 0.000 0.347 85 W C 0.084 176.477 176.519 -0.209 0.000 1.067 85 W CA -0.961 56.277 57.345 -0.179 0.000 1.218 85 W CB 1.879 31.269 29.460 -0.117 0.000 1.393 85 W HN 0.498 nan 8.180 nan 0.000 0.557 86 Q N 1.660 121.495 119.800 0.058 0.000 2.286 86 Q HA 0.250 4.589 4.340 -0.001 0.000 0.290 86 Q C 0.032 176.048 176.000 0.027 0.000 1.049 86 Q CA 0.282 56.089 55.803 0.007 0.000 0.923 86 Q CB 0.748 29.484 28.738 -0.003 0.000 1.183 86 Q HN 0.400 nan 8.270 nan 0.000 0.383 87 A N 7.211 130.032 122.820 0.002 0.000 2.545 87 A HA 0.274 4.593 4.320 -0.001 0.000 0.253 87 A C -1.949 175.632 177.584 -0.005 0.000 1.074 87 A CA -1.007 51.033 52.037 0.005 0.000 0.760 87 A CB -0.638 18.368 19.000 0.009 0.000 1.005 87 A HN 0.732 nan 8.150 nan 0.000 0.506 88 P HA 0.186 nan 4.420 nan 0.000 0.269 88 P C -2.673 174.613 177.300 -0.024 0.000 1.217 88 P CA -1.132 61.947 63.100 -0.035 0.000 0.783 88 P CB -0.569 31.093 31.700 -0.063 0.000 0.898 89 P HA 0.115 nan 4.420 nan 0.000 0.263 89 P C 1.002 178.292 177.300 -0.018 0.000 1.195 89 P CA 1.238 64.328 63.100 -0.016 0.000 0.762 89 P CB -0.150 31.540 31.700 -0.017 0.000 0.799 90 G N 1.880 110.674 108.800 -0.011 0.000 2.253 90 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.209 90 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.209 90 G C 0.326 175.221 174.900 -0.009 0.000 0.997 90 G CA -0.056 45.038 45.100 -0.011 0.000 0.640 90 G HN 0.833 nan 8.290 nan 0.000 0.496 91 A N 0.714 123.529 122.820 -0.008 0.000 2.354 91 A HA 0.816 5.135 4.320 -0.001 0.000 0.269 91 A C 0.583 178.173 177.584 0.009 0.000 1.109 91 A CA -0.016 52.020 52.037 -0.003 0.000 0.800 91 A CB 0.441 19.440 19.000 -0.003 0.000 1.045 91 A HN 0.495 nan 8.150 nan 0.000 0.489 92 R N 0.998 121.507 120.500 0.014 0.000 2.787 92 R HA 0.622 4.961 4.340 -0.001 0.000 0.271 92 R C -0.689 175.634 176.300 0.038 0.000 0.993 92 R CA -0.565 55.549 56.100 0.023 0.000 0.993 92 R CB 1.917 32.229 30.300 0.019 0.000 1.155 92 R HN 0.671 nan 8.270 nan 0.000 0.486 93 S N 1.353 117.082 115.700 0.047 0.000 2.549 93 S HA 0.421 4.891 4.470 -0.001 0.000 0.297 93 S C 0.031 174.667 174.600 0.059 0.000 1.115 93 S CA -0.797 57.443 58.200 0.068 0.000 1.059 93 S CB 0.985 64.233 63.200 0.080 0.000 1.046 93 S HN 0.289 nan 8.310 nan 0.000 0.506 94 L N 1.914 123.180 121.223 0.072 0.000 2.417 94 L HA 0.284 4.624 4.340 -0.001 0.000 0.268 94 L C 0.601 177.486 176.870 0.023 0.000 1.158 94 L CA -0.314 54.563 54.840 0.063 0.000 0.819 94 L CB 0.395 42.500 42.059 0.076 0.000 1.112 94 L HN 0.528 nan 8.230 nan 0.000 0.458 95 T N 3.212 117.746 114.554 -0.033 0.000 2.832 95 T HA 0.222 4.571 4.350 -0.001 0.000 0.296 95 T C -2.289 172.292 174.700 -0.198 0.000 0.968 95 T CA -0.977 61.002 62.100 -0.201 0.000 1.107 95 T CB 0.975 69.518 68.868 -0.542 0.000 0.916 95 T HN 0.315 nan 8.240 nan 0.000 0.517 96 P HA 0.090 nan 4.420 nan 0.000 0.266 96 P C -0.324 176.929 177.300 -0.078 0.000 1.195 96 P CA -0.480 62.573 63.100 -0.078 0.000 0.768 96 P CB 0.365 32.028 31.700 -0.062 0.000 0.838 97 c N 3.321 121.933 118.600 0.020 0.000 2.415 97 c HA 0.342 4.911 4.570 -0.001 0.000 0.369 97 c C 1.626 175.749 174.090 0.056 0.000 1.279 97 c CA 0.523 56.908 56.329 0.093 0.000 1.886 97 c CB -0.927 41.648 42.510 0.110 0.000 2.468 97 c HN 0.762 nan 8.230 nan 0.000 0.553 98 T N 0.432 115.031 114.554 0.074 0.000 3.003 98 T HA 0.031 4.380 4.350 -0.001 0.000 0.261 98 T C 1.480 176.214 174.700 0.056 0.000 1.003 98 T CA 0.334 62.463 62.100 0.049 0.000 0.917 98 T CB -0.577 68.311 68.868 0.033 0.000 1.084 98 T HN 0.752 nan 8.240 nan 0.000 0.522 99 C N 1.815 121.162 119.300 0.078 0.000 2.398 99 C HA 0.192 4.651 4.460 -0.001 0.000 0.282 99 C C 2.551 177.565 174.990 0.039 0.000 1.275 99 C CA 0.651 59.703 59.018 0.058 0.000 1.797 99 C CB -1.721 26.051 27.740 0.054 0.000 1.991 99 C HN 0.915 nan 8.230 nan 0.000 0.505 100 G N 0.448 109.271 108.800 0.038 0.000 2.203 100 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.263 100 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.263 100 G C 0.280 175.195 174.900 0.026 0.000 1.012 100 G CA 0.663 45.781 45.100 0.031 0.000 0.749 100 G HN 0.692 nan 8.290 nan 0.000 0.512 101 S N -0.569 115.146 115.700 0.025 0.000 2.592 101 S HA 0.585 5.055 4.470 -0.001 0.000 0.271 101 S C 1.520 176.123 174.600 0.005 0.000 1.326 101 S CA 0.647 58.857 58.200 0.016 0.000 1.024 101 S CB 0.867 64.079 63.200 0.020 0.000 0.921 101 S HN 1.185 nan 8.310 nan 0.000 0.527 102 S N 1.559 117.256 115.700 -0.006 0.000 2.559 102 S HA 0.279 4.748 4.470 -0.001 0.000 0.226 102 S C -0.710 173.854 174.600 -0.060 0.000 1.000 102 S CA -0.580 57.609 58.200 -0.017 0.000 0.948 102 S CB 0.049 63.246 63.200 -0.005 0.000 0.870 102 S HN 0.649 nan 8.310 nan 0.000 0.497 103 D N 2.537 122.892 120.400 -0.075 0.000 2.412 103 D HA 0.495 5.135 4.640 -0.001 0.000 0.224 103 D C -0.291 175.848 176.300 -0.269 0.000 1.093 103 D CA -0.110 53.785 54.000 -0.174 0.000 0.850 103 D CB 1.310 42.050 40.800 -0.100 0.000 1.046 103 D HN 0.310 nan 8.370 nan 0.000 0.507 104 L N 1.405 122.393 121.223 -0.391 0.000 2.331 104 L HA 0.538 4.877 4.340 -0.001 0.000 0.268 104 L C -0.748 175.707 176.870 -0.692 0.000 1.015 104 L CA -1.105 53.518 54.840 -0.361 0.000 0.807 104 L CB 1.029 42.937 42.059 -0.252 0.000 1.293 104 L HN 0.210 nan 8.230 nan 0.000 0.451 105 Y N 1.045 121.295 120.300 -0.084 0.000 2.354 105 Y HA 0.459 5.009 4.550 -0.001 0.000 0.330 105 Y C -0.587 175.260 175.900 -0.088 0.000 1.011 105 Y CA -0.629 57.429 58.100 -0.069 0.000 1.099 105 Y CB 1.984 40.415 38.460 -0.048 0.000 1.179 105 Y HN 0.266 nan 8.280 nan 0.000 0.442 106 L N 4.556 125.782 121.223 0.006 0.000 2.275 106 L HA 0.713 5.053 4.340 -0.001 0.000 0.288 106 L C -1.107 175.751 176.870 -0.019 0.000 1.046 106 L CA -0.477 54.325 54.840 -0.063 0.000 0.805 106 L CB 0.919 42.869 42.059 -0.181 0.000 1.193 106 L HN 0.420 nan 8.230 nan 0.000 0.426 107 V N 4.586 124.490 119.914 -0.017 0.000 2.383 107 V HA 0.439 4.558 4.120 -0.001 0.000 0.275 107 V C 0.692 176.769 176.094 -0.029 0.000 1.036 107 V CA -0.150 62.148 62.300 -0.003 0.000 0.889 107 V CB 0.923 32.749 31.823 0.004 0.000 0.985 107 V HN 0.962 nan 8.190 nan 0.000 0.459 108 T N 2.210 116.743 114.554 -0.036 0.000 2.862 108 T HA 0.363 4.713 4.350 -0.001 0.000 0.276 108 T C 1.132 175.761 174.700 -0.119 0.000 0.974 108 T CA -0.540 61.502 62.100 -0.096 0.000 0.966 108 T CB 0.970 69.751 68.868 -0.146 0.000 1.072 108 T HN 0.705 nan 8.240 nan 0.000 0.538 109 R N -0.491 119.866 120.500 -0.239 0.000 2.237 109 R HA 0.019 4.358 4.340 -0.001 0.000 0.219 109 R C 1.013 177.131 176.300 -0.303 0.000 1.080 109 R CA 1.284 57.218 56.100 -0.276 0.000 0.995 109 R CB -0.888 29.219 30.300 -0.322 0.000 0.875 109 R HN 0.827 nan 8.270 nan 0.000 0.462 110 H N 0.261 119.304 119.070 -0.046 0.000 2.517 110 H HA 0.459 5.014 4.556 -0.001 0.000 0.282 110 H C 0.473 175.811 175.328 0.017 0.000 1.023 110 H CA 0.160 56.200 56.048 -0.014 0.000 1.169 110 H CB 0.888 30.634 29.762 -0.026 0.000 1.454 110 H HN 0.393 nan 8.280 nan 0.000 0.556 111 A N 0.638 123.497 122.820 0.065 0.000 2.860 111 A HA -0.224 4.096 4.320 -0.001 0.000 0.267 111 A C -0.193 177.446 177.584 0.091 0.000 1.421 111 A CA 0.732 52.806 52.037 0.062 0.000 0.831 111 A CB -1.879 17.169 19.000 0.081 0.000 1.041 111 A HN 0.453 nan 8.150 nan 0.000 0.623 112 D N -0.639 119.829 120.400 0.113 0.000 2.304 112 D HA 0.505 5.144 4.640 -0.001 0.000 0.247 112 D C 0.037 176.398 176.300 0.101 0.000 1.089 112 D CA 0.225 54.308 54.000 0.138 0.000 0.910 112 D CB 1.550 42.497 40.800 0.246 0.000 1.199 112 D HN 0.287 nan 8.370 nan 0.000 0.426 113 V N 3.747 123.720 119.914 0.099 0.000 2.407 113 V HA 0.367 4.486 4.120 -0.001 0.000 0.291 113 V C 0.163 176.336 176.094 0.132 0.000 1.018 113 V CA -0.761 61.595 62.300 0.094 0.000 0.842 113 V CB 1.206 33.062 31.823 0.056 0.000 0.996 113 V HN 0.362 nan 8.190 nan 0.000 0.426 114 I N 2.863 123.511 120.570 0.130 0.000 2.498 114 I HA 0.698 4.867 4.170 -0.001 0.000 0.290 114 I C -2.868 173.286 176.117 0.062 0.000 1.032 114 I CA -2.770 58.592 61.300 0.104 0.000 1.073 114 I CB 2.585 40.633 38.000 0.079 0.000 1.251 114 I HN 0.322 nan 8.210 nan 0.000 0.426 115 P HA 0.182 nan 4.420 nan 0.000 0.265 115 P C -0.803 176.382 177.300 -0.193 0.000 1.193 115 P CA -0.027 62.968 63.100 -0.175 0.000 0.765 115 P CB 1.000 32.653 31.700 -0.079 0.000 0.823 116 V N 3.964 123.699 119.914 -0.297 0.000 2.733 116 V HA 0.399 4.518 4.120 -0.001 0.000 0.306 116 V C 0.035 176.019 176.094 -0.183 0.000 1.084 116 V CA -0.768 61.424 62.300 -0.180 0.000 0.905 116 V CB 2.180 33.913 31.823 -0.150 0.000 1.010 116 V HN 0.402 nan 8.190 nan 0.000 0.424 117 R N 3.693 124.133 120.500 -0.100 0.000 2.229 117 R HA 0.463 4.802 4.340 -0.001 0.000 0.328 117 R C 0.149 176.440 176.300 -0.014 0.000 1.009 117 R CA -0.486 55.572 56.100 -0.072 0.000 0.864 117 R CB 0.767 31.038 30.300 -0.049 0.000 1.085 117 R HN 0.720 nan 8.270 nan 0.000 0.453 118 R N 3.231 123.728 120.500 -0.004 0.000 2.522 118 R HA 0.028 4.367 4.340 -0.001 0.000 0.284 118 R C 0.232 176.568 176.300 0.061 0.000 1.032 118 R CA 0.146 56.286 56.100 0.067 0.000 1.049 118 R CB 0.573 30.913 30.300 0.067 0.000 0.956 118 R HN 0.673 nan 8.270 nan 0.000 0.422 119 R N 2.151 122.701 120.500 0.083 0.000 2.194 119 R HA 0.227 4.567 4.340 -0.001 0.000 0.194 119 R C 0.767 177.088 176.300 0.035 0.000 0.985 119 R CA 0.759 56.887 56.100 0.046 0.000 1.104 119 R CB 0.444 30.767 30.300 0.037 0.000 1.092 119 R HN 0.736 nan 8.270 nan 0.000 0.555 120 G N -0.313 108.510 108.800 0.038 0.000 3.222 120 G HA2 0.221 4.181 3.960 -0.001 0.000 0.263 120 G HA3 0.221 4.181 3.960 -0.001 0.000 0.263 120 G C -0.437 174.466 174.900 0.005 0.000 1.312 120 G CA -0.313 44.788 45.100 0.001 0.000 0.934 120 G HN -0.164 nan 8.290 nan 0.000 0.577 121 D N -0.460 119.911 120.400 -0.049 0.000 2.178 121 D HA -0.029 4.611 4.640 -0.001 0.000 0.202 121 D C 2.270 178.415 176.300 -0.259 0.000 0.974 121 D CA 1.988 55.951 54.000 -0.062 0.000 0.841 121 D CB 0.234 40.991 40.800 -0.071 0.000 0.953 121 D HN 0.316 nan 8.370 nan 0.000 0.478 122 S N -1.904 113.501 115.700 -0.491 0.000 2.937 122 S HA 0.368 4.838 4.470 -0.001 0.000 0.252 122 S C 0.399 174.375 174.600 -1.040 0.000 1.022 122 S CA -0.690 56.846 58.200 -1.106 0.000 1.079 122 S CB 1.056 63.905 63.200 -0.584 0.000 1.035 122 S HN -0.145 nan 8.310 nan 0.000 0.594 123 R N 0.769 120.994 120.500 -0.458 0.000 2.744 123 R HA 0.853 5.193 4.340 -0.001 0.000 0.279 123 R C -0.479 175.946 176.300 0.208 0.000 0.977 123 R CA 0.013 56.072 56.100 -0.069 0.000 0.906 123 R CB 1.796 32.064 30.300 -0.054 0.000 1.197 123 R HN 0.368 nan 8.270 nan 0.000 0.463 124 G N 0.337 109.283 108.800 0.243 0.000 2.742 124 G HA2 0.408 4.368 3.960 -0.001 0.000 0.296 124 G HA3 0.408 4.368 3.960 -0.001 0.000 0.296 124 G C -1.458 173.506 174.900 0.107 0.000 1.436 124 G CA -0.555 44.659 45.100 0.190 0.000 0.928 124 G HN 0.596 nan 8.290 nan 0.000 0.520 125 S N 1.138 116.868 115.700 0.051 0.000 2.508 125 S HA 0.675 5.144 4.470 -0.001 0.000 0.284 125 S C 0.223 174.824 174.600 0.001 0.000 1.192 125 S CA -0.753 57.463 58.200 0.026 0.000 1.070 125 S CB 1.330 64.537 63.200 0.011 0.000 1.004 125 S HN 0.575 nan 8.310 nan 0.000 0.493 126 L N 2.813 124.038 121.223 0.003 0.000 2.439 126 L HA 0.148 4.487 4.340 -0.001 0.000 0.269 126 L C 1.018 177.873 176.870 -0.025 0.000 1.179 126 L CA -0.715 54.115 54.840 -0.017 0.000 0.828 126 L CB 0.235 42.290 42.059 -0.006 0.000 1.106 126 L HN 0.659 nan 8.230 nan 0.000 0.467 127 L N 1.522 122.723 121.223 -0.037 0.000 2.131 127 L HA -0.034 4.306 4.340 -0.001 0.000 0.206 127 L C 1.045 177.898 176.870 -0.029 0.000 1.087 127 L CA 1.135 55.955 54.840 -0.033 0.000 0.767 127 L CB -0.266 41.771 42.059 -0.036 0.000 0.917 127 L HN 0.744 nan 8.230 nan 0.000 0.441 128 S N -1.303 114.377 115.700 -0.033 0.000 2.659 128 S HA 0.631 5.101 4.470 -0.001 0.000 0.312 128 S C -2.667 171.908 174.600 -0.043 0.000 1.114 128 S CA -1.545 56.632 58.200 -0.039 0.000 1.063 128 S CB 1.413 64.584 63.200 -0.048 0.000 0.996 128 S HN -0.165 nan 8.310 nan 0.000 0.478 129 P HA 0.282 nan 4.420 nan 0.000 0.267 129 P C -0.442 176.833 177.300 -0.042 0.000 1.200 129 P CA -0.123 62.963 63.100 -0.025 0.000 0.772 129 P CB 0.382 32.070 31.700 -0.019 0.000 0.855 130 R N 2.659 123.144 120.500 -0.025 0.000 2.771 130 R HA 0.455 4.794 4.340 -0.001 0.000 0.274 130 R C -2.579 173.738 176.300 0.028 0.000 0.987 130 R CA -2.222 53.852 56.100 -0.042 0.000 0.908 130 R CB 1.735 31.960 30.300 -0.124 0.000 1.213 130 R HN 0.327 nan 8.270 nan 0.000 0.468 131 P HA -0.098 nan 4.420 nan 0.000 0.267 131 P C 0.774 178.156 177.300 0.136 0.000 1.200 131 P CA 0.139 63.283 63.100 0.074 0.000 0.772 131 P CB 0.769 32.513 31.700 0.072 0.000 0.855 132 V N 2.867 122.853 119.914 0.121 0.000 2.490 132 V HA -0.258 3.861 4.120 -0.001 0.000 0.250 132 V C 2.392 178.592 176.094 0.176 0.000 1.061 132 V CA 2.846 65.235 62.300 0.150 0.000 1.064 132 V CB -1.248 30.642 31.823 0.113 0.000 0.670 132 V HN 0.772 nan 8.190 nan 0.000 0.461 133 S N -0.643 115.151 115.700 0.156 0.000 2.407 133 S HA -0.366 4.103 4.470 -0.001 0.000 0.235 133 S C 1.970 176.688 174.600 0.197 0.000 1.036 133 S CA 2.137 60.430 58.200 0.154 0.000 1.013 133 S CB -1.104 62.174 63.200 0.129 0.000 0.820 133 S HN 0.823 nan 8.310 nan 0.000 0.476 134 Y N 1.960 122.325 120.300 0.109 0.000 2.274 134 Y HA 0.120 4.669 4.550 -0.001 0.000 0.290 134 Y C 1.860 177.858 175.900 0.162 0.000 1.145 134 Y CA 1.357 59.536 58.100 0.130 0.000 1.203 134 Y CB -0.164 38.348 38.460 0.087 0.000 0.984 134 Y HN 0.248 nan 8.280 nan 0.000 0.533 135 L N 0.050 121.374 121.223 0.167 0.000 2.558 135 L HA 0.039 4.379 4.340 -0.001 0.000 0.225 135 L C 0.511 177.489 176.870 0.180 0.000 1.128 135 L CA 0.006 54.930 54.840 0.139 0.000 0.868 135 L CB -0.201 42.041 42.059 0.304 0.000 1.006 135 L HN -0.130 nan 8.230 nan 0.000 0.454 136 K N 0.725 121.208 120.400 0.138 0.000 2.412 136 K HA 0.289 4.609 4.320 -0.001 0.000 0.281 136 K C 0.999 177.654 176.600 0.092 0.000 1.027 136 K CA 0.924 57.289 56.287 0.130 0.000 0.989 136 K CB 0.406 32.975 32.500 0.115 0.000 0.935 136 K HN 0.200 nan 8.250 nan 0.000 0.475 137 G N 1.578 110.452 108.800 0.123 0.000 2.176 137 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.253 137 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.253 137 G C 0.719 175.691 174.900 0.120 0.000 0.979 137 G CA 0.488 45.660 45.100 0.119 0.000 0.641 137 G HN 0.504 nan 8.290 nan 0.000 0.530 138 S N 0.258 116.061 115.700 0.171 0.000 2.540 138 S HA 0.370 4.840 4.470 -0.001 0.000 0.218 138 S C 1.303 176.151 174.600 0.413 0.000 0.977 138 S CA 0.575 58.903 58.200 0.213 0.000 0.918 138 S CB 0.301 63.578 63.200 0.129 0.000 0.806 138 S HN 1.309 nan 8.310 nan 0.000 0.496 139 S N 0.634 116.536 115.700 0.336 0.000 2.572 139 S HA 0.518 4.987 4.470 -0.001 0.000 0.279 139 S C 1.367 176.125 174.600 0.264 0.000 1.341 139 S CA 0.264 58.594 58.200 0.216 0.000 1.043 139 S CB 0.845 64.052 63.200 0.012 0.000 0.887 139 S HN 0.641 nan 8.310 nan 0.000 0.516 140 G N 1.390 110.330 108.800 0.233 0.000 2.217 140 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.246 140 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.246 140 G C 0.506 175.548 174.900 0.236 0.000 0.990 140 G CA -0.062 45.193 45.100 0.258 0.000 0.627 140 G HN 1.436 nan 8.290 nan 0.000 0.522 141 G N 1.086 110.035 108.800 0.249 0.000 2.527 141 G HA2 0.574 4.533 3.960 -0.001 0.000 0.248 141 G HA3 0.574 4.533 3.960 -0.001 0.000 0.248 141 G C -1.930 173.065 174.900 0.158 0.000 1.231 141 G CA -0.256 44.951 45.100 0.178 0.000 0.838 141 G HN 0.327 nan 8.290 nan 0.000 0.570 142 P HA 0.295 nan 4.420 nan 0.000 0.284 142 P C -0.865 176.436 177.300 0.002 0.000 1.253 142 P CA -0.582 62.551 63.100 0.055 0.000 0.800 142 P CB 1.716 33.445 31.700 0.047 0.000 0.961 143 L N 3.679 124.862 121.223 -0.066 0.000 2.264 143 L HA 0.378 4.717 4.340 -0.001 0.000 0.289 143 L C 0.331 177.140 176.870 -0.102 0.000 1.044 143 L CA -0.057 54.689 54.840 -0.155 0.000 0.807 143 L CB 0.585 42.393 42.059 -0.419 0.000 1.192 143 L HN 0.227 nan 8.230 nan 0.000 0.425 144 L N 2.881 124.091 121.223 -0.021 0.000 2.334 144 L HA 0.607 4.947 4.340 -0.001 0.000 0.276 144 L C 0.038 176.953 176.870 0.076 0.000 1.014 144 L CA -0.886 53.976 54.840 0.037 0.000 0.815 144 L CB 1.739 43.837 42.059 0.064 0.000 1.268 144 L HN 0.696 nan 8.230 nan 0.000 0.428 145 c N 0.081 118.719 118.600 0.062 0.000 2.480 145 c HA 0.381 4.950 4.570 -0.001 0.000 0.358 145 c C -1.099 173.060 174.090 0.115 0.000 1.309 145 c CA -1.326 55.053 56.329 0.082 0.000 2.465 145 c CB 0.366 42.902 42.510 0.044 0.000 2.379 145 c HN 0.644 nan 8.230 nan 0.000 0.642 146 P HA -0.135 nan 4.420 nan 0.000 0.218 146 P C 1.634 178.899 177.300 -0.057 0.000 1.146 146 P CA 2.464 65.615 63.100 0.085 0.000 0.813 146 P CB -0.195 31.564 31.700 0.098 0.000 0.778 147 S N -2.238 113.396 115.700 -0.110 0.000 2.555 147 S HA 0.177 4.646 4.470 -0.001 0.000 0.230 147 S C 1.691 176.121 174.600 -0.283 0.000 0.978 147 S CA 0.578 58.629 58.200 -0.247 0.000 0.934 147 S CB -1.275 61.674 63.200 -0.418 0.000 0.766 147 S HN 0.308 nan 8.310 nan 0.000 0.533 148 G N 0.813 109.527 108.800 -0.142 0.000 2.143 148 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.249 148 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.249 148 G C -0.153 174.785 174.900 0.064 0.000 0.981 148 G CA 0.132 45.200 45.100 -0.053 0.000 0.665 148 G HN 0.633 nan 8.290 nan 0.000 0.528 149 H N 0.420 119.496 119.070 0.010 0.000 2.505 149 H HA 0.671 5.226 4.556 -0.001 0.000 0.351 149 H C 0.796 176.125 175.328 0.001 0.000 1.151 149 H CA -0.105 55.948 56.048 0.008 0.000 1.339 149 H CB 1.290 31.057 29.762 0.009 0.000 1.483 149 H HN 0.535 nan 8.280 nan 0.000 0.558 150 A N 2.437 125.330 122.820 0.122 0.000 2.362 150 A HA 0.300 4.619 4.320 -0.001 0.000 0.276 150 A C 0.966 178.558 177.584 0.013 0.000 1.153 150 A CA -0.484 51.580 52.037 0.045 0.000 0.813 150 A CB 0.258 19.278 19.000 0.034 0.000 1.081 150 A HN 0.574 nan 8.150 nan 0.000 0.507 151 V N 2.386 122.277 119.914 -0.039 0.000 2.992 151 V HA 0.394 4.514 4.120 -0.001 0.000 0.250 151 V C 1.340 177.408 176.094 -0.042 0.000 1.090 151 V CA 1.639 63.901 62.300 -0.063 0.000 1.101 151 V CB -0.420 31.307 31.823 -0.160 0.000 0.743 151 V HN 1.356 nan 8.190 nan 0.000 0.468 152 G N 0.007 108.762 108.800 -0.074 0.000 2.327 152 G HA2 0.348 4.307 3.960 -0.001 0.000 0.291 152 G HA3 0.348 4.307 3.960 -0.001 0.000 0.291 152 G C -1.621 173.309 174.900 0.050 0.000 1.290 152 G CA -0.298 44.828 45.100 0.044 0.000 0.857 152 G HN 0.296 nan 8.290 nan 0.000 0.520 153 I N -2.355 118.300 120.570 0.143 0.000 2.493 153 I HA 0.801 4.971 4.170 -0.001 0.000 0.298 153 I C -0.434 175.866 176.117 0.305 0.000 0.998 153 I CA -1.154 60.257 61.300 0.185 0.000 1.137 153 I CB 1.983 40.081 38.000 0.164 0.000 1.310 153 I HN 0.388 nan 8.210 nan 0.000 0.445 154 F N 5.954 125.988 119.950 0.140 0.000 2.538 154 F HA 0.316 4.843 4.527 -0.001 0.000 0.371 154 F C 1.189 177.093 175.800 0.173 0.000 1.087 154 F CA -0.319 57.782 58.000 0.168 0.000 1.250 154 F CB 0.692 39.764 39.000 0.120 0.000 1.110 154 F HN 0.735 nan 8.300 nan 0.000 0.570 155 R N 3.463 123.747 120.500 -0.360 0.000 2.470 155 R HA 0.731 5.071 4.340 -0.001 0.000 0.210 155 R C -0.625 175.387 176.300 -0.480 0.000 0.873 155 R CA 0.292 56.223 56.100 -0.282 0.000 1.015 155 R CB 0.301 30.593 30.300 -0.014 0.000 1.348 155 R HN 0.539 nan 8.270 nan 0.000 0.650 156 A N 0.842 123.289 122.820 -0.621 0.000 2.609 156 A HA 0.805 5.124 4.320 -0.001 0.000 0.291 156 A C -1.681 175.830 177.584 -0.121 0.000 1.096 156 A CA -0.524 51.285 52.037 -0.380 0.000 0.684 156 A CB 1.599 20.477 19.000 -0.203 0.000 1.282 156 A HN 0.330 nan 8.150 nan 0.000 0.412 157 A N 0.307 123.149 122.820 0.037 0.000 2.317 157 A HA 0.654 4.974 4.320 -0.001 0.000 0.327 157 A C -0.569 177.065 177.584 0.084 0.000 1.178 157 A CA -0.445 51.703 52.037 0.184 0.000 0.817 157 A CB 0.780 19.919 19.000 0.231 0.000 1.189 157 A HN 1.384 nan 8.150 nan 0.000 0.489 158 V N 2.022 121.985 119.914 0.081 0.000 2.385 158 V HA 0.299 4.418 4.120 -0.001 0.000 0.269 158 V C -0.039 176.056 176.094 0.002 0.000 1.043 158 V CA -0.347 61.966 62.300 0.022 0.000 0.906 158 V CB 0.074 31.908 31.823 0.018 0.000 0.995 158 V HN 0.965 nan 8.190 nan 0.000 0.467 159 C N 3.338 122.609 119.300 -0.048 0.000 2.562 159 C HA 0.749 5.208 4.460 -0.001 0.000 0.332 159 C C 0.504 175.422 174.990 -0.120 0.000 1.201 159 C CA -0.535 58.444 59.018 -0.065 0.000 1.803 159 C CB 1.962 29.665 27.740 -0.062 0.000 2.328 159 C HN 0.834 nan 8.230 nan 0.000 0.500 160 T N 1.834 116.330 114.554 -0.096 0.000 2.864 160 T HA 0.404 4.753 4.350 -0.001 0.000 0.310 160 T C -0.016 174.624 174.700 -0.101 0.000 1.040 160 T CA -0.491 61.541 62.100 -0.114 0.000 0.977 160 T CB 0.378 69.199 68.868 -0.079 0.000 0.976 160 T HN 0.728 nan 8.240 nan 0.000 0.459 161 R N 2.012 122.428 120.500 -0.139 0.000 3.322 161 R HA -0.226 4.113 4.340 -0.001 0.000 0.253 161 R C 1.264 177.534 176.300 -0.051 0.000 0.987 161 R CA 0.779 56.822 56.100 -0.097 0.000 0.666 161 R CB -1.947 28.314 30.300 -0.064 0.000 1.072 161 R HN 1.260 nan 8.270 nan 0.000 0.447 162 G N -1.758 107.011 108.800 -0.052 0.000 2.179 162 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.260 162 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.260 162 G C 0.111 175.017 174.900 0.011 0.000 0.977 162 G CA 0.059 45.158 45.100 -0.001 0.000 0.641 162 G HN 0.312 nan 8.290 nan 0.000 0.533 163 V N 1.446 121.356 119.914 -0.008 0.000 2.328 163 V HA 0.737 4.856 4.120 -0.001 0.000 0.278 163 V C 0.828 176.927 176.094 0.008 0.000 1.021 163 V CA -0.464 61.839 62.300 0.005 0.000 0.838 163 V CB 1.160 32.978 31.823 -0.008 0.000 0.999 163 V HN 1.067 nan 8.190 nan 0.000 0.447 164 A N 4.927 127.771 122.820 0.039 0.000 2.488 164 A HA 0.402 4.722 4.320 -0.001 0.000 0.249 164 A C 0.990 178.596 177.584 0.036 0.000 1.083 164 A CA 0.088 52.159 52.037 0.057 0.000 0.768 164 A CB 0.145 19.213 19.000 0.113 0.000 1.017 164 A HN 1.052 nan 8.150 nan 0.000 0.496 165 K N 1.450 121.867 120.400 0.029 0.000 2.464 165 K HA 0.597 4.916 4.320 -0.001 0.000 0.206 165 K C 0.263 176.880 176.600 0.029 0.000 1.186 165 K CA 0.630 56.926 56.287 0.016 0.000 0.990 165 K CB 0.606 33.105 32.500 -0.002 0.000 1.003 165 K HN 0.815 nan 8.250 nan 0.000 0.562 166 A N 0.856 123.709 122.820 0.054 0.000 2.583 166 A HA 0.669 4.988 4.320 -0.001 0.000 0.289 166 A C -1.385 176.287 177.584 0.146 0.000 1.151 166 A CA -0.385 51.699 52.037 0.079 0.000 0.695 166 A CB 1.764 20.799 19.000 0.059 0.000 1.290 166 A HN 0.323 nan 8.150 nan 0.000 0.419 167 V N -1.377 118.657 119.914 0.200 0.000 2.789 167 V HA 0.773 4.892 4.120 -0.001 0.000 0.311 167 V C -1.161 175.135 176.094 0.336 0.000 1.073 167 V CA -0.605 61.915 62.300 0.367 0.000 0.921 167 V CB 1.631 33.704 31.823 0.417 0.000 1.009 167 V HN 0.913 nan 8.190 nan 0.000 0.426 168 D N 3.066 123.635 120.400 0.282 0.000 2.217 168 D HA 0.738 5.378 4.640 -0.001 0.000 0.243 168 D C -0.730 175.686 176.300 0.193 0.000 1.054 168 D CA -0.278 53.779 54.000 0.095 0.000 0.838 168 D CB 1.460 42.248 40.800 -0.019 0.000 1.162 168 D HN 0.685 nan 8.370 nan 0.000 0.472 169 F N 1.079 121.078 119.950 0.083 0.000 2.613 169 F HA 0.642 5.169 4.527 -0.001 0.000 0.314 169 F C -1.313 174.500 175.800 0.021 0.000 1.075 169 F CA -1.375 56.676 58.000 0.085 0.000 0.945 169 F CB 0.824 39.906 39.000 0.138 0.000 1.310 169 F HN 0.010 nan 8.300 nan 0.000 0.467 170 V N 3.119 123.149 119.914 0.193 0.000 2.389 170 V HA 0.329 4.449 4.120 -0.001 0.000 0.264 170 V C -2.137 174.042 176.094 0.142 0.000 1.049 170 V CA -1.672 60.662 62.300 0.057 0.000 0.932 170 V CB 0.397 32.223 31.823 0.004 0.000 1.011 170 V HN 0.583 nan 8.190 nan 0.000 0.475 171 P HA 0.078 nan 4.420 nan 0.000 0.272 171 P C 1.151 178.440 177.300 -0.018 0.000 1.223 171 P CA -0.185 63.009 63.100 0.155 0.000 0.784 171 P CB 0.692 32.435 31.700 0.071 0.000 0.923 172 V N 0.304 120.201 119.914 -0.028 0.000 2.490 172 V HA -0.246 3.874 4.120 -0.001 0.000 0.250 172 V C 1.729 177.728 176.094 -0.158 0.000 1.061 172 V CA 1.788 64.006 62.300 -0.137 0.000 1.064 172 V CB -1.500 30.271 31.823 -0.087 0.000 0.670 172 V HN 0.504 nan 8.190 nan 0.000 0.461 173 E N 1.468 121.612 120.200 -0.092 0.000 2.153 173 E HA -0.173 4.177 4.350 -0.001 0.000 0.194 173 E C 2.219 178.741 176.600 -0.129 0.000 0.988 173 E CA 1.635 57.980 56.400 -0.092 0.000 0.811 173 E CB -0.788 28.880 29.700 -0.053 0.000 0.746 173 E HN 0.643 nan 8.360 nan 0.000 0.466 174 S N 1.131 116.741 115.700 -0.151 0.000 2.383 174 S HA -0.053 4.416 4.470 -0.001 0.000 0.227 174 S C 2.065 176.492 174.600 -0.288 0.000 1.026 174 S CA 1.289 59.382 58.200 -0.178 0.000 0.981 174 S CB -0.229 62.876 63.200 -0.159 0.000 0.818 174 S HN 0.243 nan 8.310 nan 0.000 0.472 175 M N 1.090 120.419 119.600 -0.451 0.000 2.117 175 M HA -0.106 4.373 4.480 -0.001 0.000 0.262 175 M C 2.200 178.244 176.300 -0.426 0.000 1.065 175 M CA 1.171 55.992 55.300 -0.798 0.000 1.114 175 M CB -0.463 31.439 32.600 -1.162 0.000 1.361 175 M HN 0.151 nan 8.290 nan 0.000 0.408 176 E N 0.153 120.199 120.200 -0.256 0.000 2.038 176 E HA -0.149 4.200 4.350 -0.001 0.000 0.195 176 E C 2.105 178.638 176.600 -0.112 0.000 1.000 176 E CA 1.833 58.151 56.400 -0.136 0.000 0.803 176 E CB -0.682 28.962 29.700 -0.094 0.000 0.750 176 E HN 0.466 nan 8.360 nan 0.000 0.448 177 T N 1.079 115.565 114.554 -0.113 0.000 2.720 177 T HA -0.132 4.218 4.350 -0.001 0.000 0.268 177 T C 1.970 176.623 174.700 -0.078 0.000 1.037 177 T CA 1.951 64.002 62.100 -0.081 0.000 1.144 177 T CB -0.430 68.393 68.868 -0.076 0.000 0.864 177 T HN 0.203 nan 8.240 nan 0.000 0.444 178 T N 2.003 116.484 114.554 -0.121 0.000 2.746 178 T HA -0.000 4.349 4.350 -0.001 0.000 0.267 178 T C 2.031 176.644 174.700 -0.145 0.000 1.039 178 T CA 1.096 63.139 62.100 -0.095 0.000 1.142 178 T CB -0.323 68.487 68.868 -0.097 0.000 0.866 178 T HN 0.327 nan 8.240 nan 0.000 0.444 179 M N 0.337 119.791 119.600 -0.243 0.000 2.175 179 M HA 0.001 4.480 4.480 -0.001 0.000 0.264 179 M C 2.246 178.558 176.300 0.020 0.000 1.063 179 M CA 1.437 56.584 55.300 -0.255 0.000 1.119 179 M CB -0.199 32.317 32.600 -0.140 0.000 1.377 179 M HN 0.020 nan 8.290 nan 0.000 0.415 180 R N 0.127 120.630 120.500 0.005 0.000 2.313 180 R HA 0.050 4.390 4.340 -0.001 0.000 0.199 180 R C 0.595 176.922 176.300 0.044 0.000 0.958 180 R CA 0.049 56.169 56.100 0.033 0.000 1.047 180 R CB -0.025 30.280 30.300 0.008 0.000 0.955 180 R HN 0.298 nan 8.270 nan 0.000 0.481 181 S N 0.879 116.613 115.700 0.058 0.000 2.585 181 S HA 0.391 4.861 4.470 -0.001 0.000 0.277 181 S C -2.378 172.275 174.600 0.090 0.000 1.241 181 S CA -1.658 56.576 58.200 0.056 0.000 1.041 181 S CB 1.489 64.715 63.200 0.043 0.000 0.987 181 S HN -0.163 nan 8.310 nan 0.000 0.512 182 P HA 0.039 nan 4.420 nan 0.000 0.263 182 P C 1.027 178.383 177.300 0.093 0.000 1.175 182 P CA -0.317 62.818 63.100 0.057 0.000 0.761 182 P CB 0.342 32.047 31.700 0.009 0.000 0.794 183 V N 2.235 122.214 119.914 0.107 0.000 2.287 183 V HA -0.174 3.945 4.120 -0.001 0.000 0.248 183 V C 0.951 177.160 176.094 0.193 0.000 1.053 183 V CA 1.679 64.048 62.300 0.115 0.000 1.027 183 V CB -0.738 31.133 31.823 0.080 0.000 0.646 183 V HN 0.523 nan 8.190 nan 0.000 0.447 184 F N 0.861 120.809 119.950 -0.002 0.000 2.573 184 F HA 0.546 5.072 4.527 -0.001 0.000 0.316 184 F C -0.161 175.636 175.800 -0.005 0.000 1.148 184 F CA -1.160 56.836 58.000 -0.006 0.000 0.940 184 F CB 1.569 40.562 39.000 -0.012 0.000 1.214 184 F HN -0.032 nan 8.300 nan 0.000 0.448 185 T N 2.091 116.296 114.554 -0.582 0.000 2.758 185 T HA 0.297 4.647 4.350 -0.001 0.000 0.285 185 T C -0.732 173.362 174.700 -1.010 0.000 0.981 185 T CA -0.787 60.941 62.100 -0.620 0.000 0.965 185 T CB 1.231 69.921 68.868 -0.296 0.000 0.927 185 T HN 0.547 nan 8.240 nan 0.000 0.448 186 D N 2.762 122.639 120.400 -0.872 0.000 2.325 186 D HA 0.125 4.765 4.640 -0.001 0.000 0.251 186 D C 0.055 176.181 176.300 -0.290 0.000 1.196 186 D CA -0.347 53.288 54.000 -0.609 0.000 0.866 186 D CB 0.457 41.075 40.800 -0.303 0.000 1.101 186 D HN 0.482 nan 8.370 nan 0.000 0.476 187 N N 1.823 120.406 118.700 -0.195 0.000 2.275 187 N HA -0.040 4.700 4.740 -0.001 0.000 0.236 187 N C 1.022 176.481 175.510 -0.085 0.000 1.154 187 N CA -0.007 52.935 53.050 -0.181 0.000 0.866 187 N CB 0.687 38.948 38.487 -0.377 0.000 1.093 187 N HN 0.349 nan 8.380 nan 0.000 0.515 188 S N -1.014 114.671 115.700 -0.024 0.000 2.527 188 S HA 0.022 4.491 4.470 -0.001 0.000 0.222 188 S C 0.932 175.527 174.600 -0.009 0.000 0.985 188 S CA -0.376 57.834 58.200 0.018 0.000 0.921 188 S CB 0.012 63.245 63.200 0.054 0.000 0.772 188 S HN 0.193 nan 8.310 nan 0.000 0.529 189 S N 1.765 117.444 115.700 -0.035 0.000 2.509 189 S HA 0.635 5.104 4.470 -0.001 0.000 0.297 189 S C -3.211 171.357 174.600 -0.054 0.000 1.118 189 S CA -1.676 56.498 58.200 -0.044 0.000 1.074 189 S CB 0.763 63.936 63.200 -0.044 0.000 1.038 189 S HN 0.014 nan 8.310 nan 0.000 0.498 190 P HA 0.222 nan 4.420 nan 0.000 0.260 190 P C -2.391 174.907 177.300 -0.003 0.000 1.185 190 P CA -0.515 62.544 63.100 -0.068 0.000 0.763 190 P CB -0.637 30.900 31.700 -0.271 0.000 0.776 191 P HA 0.060 nan 4.420 nan 0.000 0.266 191 P C -0.260 177.069 177.300 0.049 0.000 1.195 191 P CA 0.155 63.257 63.100 0.003 0.000 0.768 191 P CB 0.426 32.095 31.700 -0.052 0.000 0.838 192 A N 3.072 125.890 122.820 -0.003 0.000 2.407 192 A HA 0.219 4.538 4.320 -0.001 0.000 0.248 192 A C 0.021 177.557 177.584 -0.080 0.000 1.082 192 A CA -0.387 51.649 52.037 -0.002 0.000 0.785 192 A CB -0.010 18.983 19.000 -0.010 0.000 1.020 192 A HN 0.403 nan 8.150 nan 0.000 0.489 193 V N 5.577 125.413 119.914 -0.131 0.000 2.446 193 V HA 0.185 4.304 4.120 -0.001 0.000 0.276 193 V C -1.338 174.679 176.094 -0.127 0.000 1.030 193 V CA -0.705 61.439 62.300 -0.259 0.000 1.033 193 V CB 0.143 31.641 31.823 -0.542 0.000 0.993 193 V HN 0.907 nan 8.190 nan 0.000 0.477 194 P HA 0.213 nan 4.420 nan 0.000 0.277 194 P C 0.145 177.420 177.300 -0.042 0.000 1.271 194 P CA -0.422 62.630 63.100 -0.079 0.000 0.795 194 P CB 1.326 32.961 31.700 -0.107 0.000 1.101 195 Q N 0.275 120.066 119.800 -0.015 0.000 2.062 195 Q HA 0.003 4.343 4.340 -0.001 0.000 0.196 195 Q C 0.651 176.662 176.000 0.017 0.000 0.967 195 Q CA 1.139 56.947 55.803 0.008 0.000 0.832 195 Q CB -0.454 28.290 28.738 0.011 0.000 0.899 195 Q HN 0.633 nan 8.270 nan 0.000 0.442 196 S N -1.029 114.680 115.700 0.016 0.000 2.593 196 S HA 0.396 4.866 4.470 -0.001 0.000 0.297 196 S C -0.259 174.378 174.600 0.062 0.000 1.112 196 S CA -0.973 57.258 58.200 0.051 0.000 1.043 196 S CB 0.785 64.015 63.200 0.050 0.000 1.054 196 S HN 0.242 nan 8.310 nan 0.000 0.516 197 F N 2.076 122.002 119.950 -0.040 0.000 2.568 197 F HA 0.052 4.579 4.527 -0.001 0.000 0.394 197 F C 0.388 176.152 175.800 -0.059 0.000 1.032 197 F CA 1.092 59.061 58.000 -0.053 0.000 1.242 197 F CB 0.117 39.091 39.000 -0.044 0.000 0.966 197 F HN 0.650 nan 8.300 nan 0.000 0.560 198 Q N 4.459 123.747 119.800 -0.852 0.000 2.340 198 Q HA 0.502 4.841 4.340 -0.001 0.000 0.276 198 Q C -1.510 173.985 176.000 -0.842 0.000 1.048 198 Q CA -1.190 54.219 55.803 -0.655 0.000 0.832 198 Q CB 2.610 31.154 28.738 -0.325 0.000 1.373 198 Q HN 0.435 nan 8.270 nan 0.000 0.409 199 V N 1.307 120.899 119.914 -0.537 0.000 2.394 199 V HA 0.821 4.940 4.120 -0.001 0.000 0.282 199 V C -0.413 175.502 176.094 -0.299 0.000 1.031 199 V CA -0.259 61.804 62.300 -0.396 0.000 0.881 199 V CB 1.116 32.802 31.823 -0.228 0.000 0.982 199 V HN 0.850 nan 8.190 nan 0.000 0.451 200 A N 4.151 126.773 122.820 -0.331 0.000 2.515 200 A HA 0.789 5.108 4.320 -0.001 0.000 0.296 200 A C -0.902 176.473 177.584 -0.347 0.000 1.094 200 A CA -0.684 51.203 52.037 -0.250 0.000 0.718 200 A CB 1.461 20.349 19.000 -0.186 0.000 1.307 200 A HN 0.850 nan 8.150 nan 0.000 0.408 201 H N 0.228 119.182 119.070 -0.194 0.000 2.479 201 H HA 0.584 5.139 4.556 -0.001 0.000 0.335 201 H C -1.453 173.692 175.328 -0.305 0.000 1.142 201 H CA -0.427 55.466 56.048 -0.258 0.000 1.234 201 H CB 2.035 31.567 29.762 -0.384 0.000 1.503 201 H HN 0.449 nan 8.280 nan 0.000 0.510 202 L N 3.464 124.604 121.223 -0.139 0.000 2.406 202 L HA 0.263 4.602 4.340 -0.001 0.000 0.270 202 L C -1.261 175.647 176.870 0.062 0.000 0.982 202 L CA -0.266 54.527 54.840 -0.079 0.000 0.843 202 L CB 0.707 42.762 42.059 -0.006 0.000 1.225 202 L HN 0.634 nan 8.230 nan 0.000 0.412 203 H N 4.426 123.532 119.070 0.061 0.000 2.539 203 H HA 0.917 5.473 4.556 -0.001 0.000 0.332 203 H C -0.638 174.723 175.328 0.056 0.000 1.031 203 H CA -0.703 55.384 56.048 0.065 0.000 1.206 203 H CB 1.772 31.575 29.762 0.068 0.000 1.446 203 H HN 0.840 nan 8.280 nan 0.000 0.496 204 A N 4.217 127.141 122.820 0.175 0.000 2.605 204 A HA 0.467 4.787 4.320 -0.001 0.000 0.294 204 A C -3.037 174.596 177.584 0.081 0.000 1.062 204 A CA -1.644 50.456 52.037 0.105 0.000 0.682 204 A CB 1.125 20.172 19.000 0.078 0.000 1.278 204 A HN 0.374 nan 8.150 nan 0.000 0.410 205 P HA 0.228 nan 4.420 nan 0.000 0.270 205 P C 0.343 177.717 177.300 0.123 0.000 1.227 205 P CA 0.289 63.417 63.100 0.048 0.000 0.788 205 P CB 0.225 31.881 31.700 -0.074 0.000 0.926 206 T N -1.557 113.111 114.554 0.189 0.000 2.934 206 T HA 0.328 4.677 4.350 -0.001 0.000 0.306 206 T C 1.215 176.044 174.700 0.215 0.000 1.042 206 T CA 0.303 62.502 62.100 0.164 0.000 1.145 206 T CB -0.485 68.433 68.868 0.084 0.000 0.982 206 T HN 0.889 nan 8.240 nan 0.000 0.544 207 G N 2.170 111.049 108.800 0.131 0.000 2.176 207 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.253 207 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.253 207 G C 1.025 175.990 174.900 0.109 0.000 0.979 207 G CA 0.770 45.935 45.100 0.108 0.000 0.641 207 G HN 1.573 nan 8.290 nan 0.000 0.530 208 S N -0.748 115.016 115.700 0.106 0.000 2.461 208 S HA 0.405 4.874 4.470 -0.001 0.000 0.228 208 S C 2.061 176.707 174.600 0.077 0.000 1.005 208 S CA 1.519 59.767 58.200 0.081 0.000 0.942 208 S CB 0.255 63.492 63.200 0.063 0.000 0.776 208 S HN 2.346 nan 8.310 nan 0.000 0.514 209 G N 0.960 109.811 108.800 0.086 0.000 2.151 209 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.140 209 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.140 209 G C 0.583 175.519 174.900 0.059 0.000 1.020 209 G CA 0.076 45.228 45.100 0.088 0.000 0.688 209 G HN 0.431 nan 8.290 nan 0.000 0.500 210 K N 0.431 120.870 120.400 0.066 0.000 2.147 210 K HA 0.020 4.339 4.320 -0.001 0.000 0.205 210 K C 2.241 178.862 176.600 0.035 0.000 1.049 210 K CA 1.576 57.893 56.287 0.050 0.000 0.936 210 K CB -0.090 32.457 32.500 0.078 0.000 0.722 210 K HN 0.281 nan 8.250 nan 0.000 0.446 211 S N -0.303 115.435 115.700 0.064 0.000 2.524 211 S HA -0.012 4.457 4.470 -0.001 0.000 0.216 211 S C 1.570 176.134 174.600 -0.061 0.000 0.987 211 S CA 1.067 59.272 58.200 0.008 0.000 0.909 211 S CB 0.336 63.622 63.200 0.142 0.000 0.781 211 S HN 0.523 nan 8.310 nan 0.000 0.521 212 T N -0.471 114.097 114.554 0.022 0.000 3.361 212 T HA 0.266 4.616 4.350 -0.001 0.000 0.241 212 T C 1.469 176.054 174.700 -0.191 0.000 0.998 212 T CA -0.245 61.867 62.100 0.019 0.000 1.215 212 T CB -0.282 68.756 68.868 0.283 0.000 1.196 212 T HN -0.017 nan 8.240 nan 0.000 0.376 213 K N 1.077 121.410 120.400 -0.112 0.000 2.063 213 K HA -0.033 4.286 4.320 -0.001 0.000 0.208 213 K C 2.304 178.810 176.600 -0.156 0.000 1.048 213 K CA 1.575 57.776 56.287 -0.144 0.000 0.928 213 K CB -0.634 31.888 32.500 0.036 0.000 0.713 213 K HN 0.178 nan 8.250 nan 0.000 0.442 214 V N 1.750 121.590 119.914 -0.122 0.000 2.237 214 V HA -0.177 3.942 4.120 -0.001 0.000 0.245 214 V C -1.023 174.972 176.094 -0.165 0.000 1.046 214 V CA 1.821 64.010 62.300 -0.185 0.000 1.007 214 V CB -1.181 30.573 31.823 -0.115 0.000 0.638 214 V HN 0.259 nan 8.190 nan 0.000 0.445 215 P HA -0.136 nan 4.420 nan 0.000 0.218 215 P C 1.554 178.842 177.300 -0.019 0.000 1.149 215 P CA 2.084 65.192 63.100 0.013 0.000 0.817 215 P CB -0.083 31.538 31.700 -0.131 0.000 0.785 216 A N 0.574 123.325 122.820 -0.115 0.000 1.930 216 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 216 A C 2.478 180.039 177.584 -0.039 0.000 1.175 216 A CA 2.043 54.018 52.037 -0.104 0.000 0.627 216 A CB -1.482 17.346 19.000 -0.288 0.000 0.815 216 A HN 0.224 nan 8.150 nan 0.000 0.443 217 A N -1.300 121.466 122.820 -0.090 0.000 1.902 217 A HA -0.058 4.261 4.320 -0.001 0.000 0.217 217 A C 2.070 179.644 177.584 -0.016 0.000 1.181 217 A CA 1.554 53.538 52.037 -0.088 0.000 0.623 217 A CB -0.807 18.080 19.000 -0.188 0.000 0.818 217 A HN 0.533 nan 8.150 nan 0.000 0.443 218 Y N 0.025 120.337 120.300 0.021 0.000 2.181 218 Y HA -0.121 4.429 4.550 -0.001 0.000 0.288 218 Y C 2.930 178.919 175.900 0.147 0.000 1.146 218 Y CA 0.589 58.746 58.100 0.095 0.000 1.164 218 Y CB -0.845 37.623 38.460 0.012 0.000 0.982 218 Y HN 0.332 nan 8.280 nan 0.000 0.515 219 A N -0.075 122.875 122.820 0.217 0.000 1.902 219 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 219 A C 2.476 180.106 177.584 0.076 0.000 1.181 219 A CA 1.726 53.839 52.037 0.128 0.000 0.623 219 A CB -1.232 17.812 19.000 0.074 0.000 0.818 219 A HN 0.378 nan 8.150 nan 0.000 0.443 220 A N -0.693 122.166 122.820 0.064 0.000 2.024 220 A HA -0.215 4.105 4.320 -0.001 0.000 0.220 220 A C 1.959 179.553 177.584 0.018 0.000 1.164 220 A CA 1.690 53.747 52.037 0.033 0.000 0.643 220 A CB -0.489 18.528 19.000 0.029 0.000 0.806 220 A HN 0.670 nan 8.150 nan 0.000 0.451 221 Q N -1.766 118.068 119.800 0.056 0.000 2.444 221 Q HA 0.290 4.629 4.340 -0.001 0.000 0.206 221 Q C 1.076 176.933 176.000 -0.237 0.000 0.948 221 Q CA 0.445 56.243 55.803 -0.008 0.000 0.946 221 Q CB 0.132 28.978 28.738 0.179 0.000 1.027 221 Q HN 0.876 nan 8.270 nan 0.000 0.513 222 G N -0.396 108.302 108.800 -0.171 0.000 2.141 222 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.231 222 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.231 222 G C -0.498 174.225 174.900 -0.295 0.000 0.984 222 G CA -0.467 44.488 45.100 -0.241 0.000 0.660 222 G HN 0.254 nan 8.290 nan 0.000 0.525 223 Y N 0.385 120.699 120.300 0.024 0.000 2.320 223 Y HA 0.617 5.166 4.550 -0.001 0.000 0.324 223 Y C 0.914 176.818 175.900 0.008 0.000 1.190 223 Y CA -0.615 57.486 58.100 0.003 0.000 1.215 223 Y CB 0.975 39.421 38.460 -0.023 0.000 1.221 223 Y HN 0.011 nan 8.280 nan 0.000 0.486 224 K N 1.787 122.295 120.400 0.180 0.000 2.248 224 K HA 0.553 4.872 4.320 -0.001 0.000 0.281 224 K C -1.364 175.368 176.600 0.220 0.000 1.054 224 K CA -0.389 55.990 56.287 0.153 0.000 0.903 224 K CB 0.952 33.489 32.500 0.062 0.000 1.077 224 K HN 0.342 nan 8.250 nan 0.000 0.474 225 V N 4.652 124.671 119.914 0.174 0.000 2.483 225 V HA 0.303 4.422 4.120 -0.001 0.000 0.297 225 V C -1.060 174.878 176.094 -0.260 0.000 1.027 225 V CA -1.006 61.267 62.300 -0.044 0.000 0.855 225 V CB 1.411 33.173 31.823 -0.101 0.000 0.995 225 V HN 0.534 nan 8.190 nan 0.000 0.424 226 L N 6.716 127.575 121.223 -0.606 0.000 2.282 226 L HA 0.693 5.033 4.340 -0.001 0.000 0.288 226 L C -0.459 176.036 176.870 -0.625 0.000 1.033 226 L CA 0.110 54.420 54.840 -0.884 0.000 0.807 226 L CB 1.629 42.852 42.059 -1.393 0.000 1.209 226 L HN 0.461 nan 8.230 nan 0.000 0.423 227 V N 6.870 126.409 119.914 -0.626 0.000 2.334 227 V HA 0.385 4.505 4.120 -0.001 0.000 0.281 227 V C 0.008 175.823 176.094 -0.464 0.000 1.016 227 V CA -0.538 61.435 62.300 -0.546 0.000 0.832 227 V CB 1.149 32.540 31.823 -0.720 0.000 0.999 227 V HN 0.590 nan 8.190 nan 0.000 0.439 228 L N 5.196 126.099 121.223 -0.533 0.000 2.275 228 L HA 0.580 4.919 4.340 -0.001 0.000 0.288 228 L C 0.149 176.543 176.870 -0.793 0.000 1.046 228 L CA -0.046 54.319 54.840 -0.792 0.000 0.805 228 L CB 0.999 42.340 42.059 -1.197 0.000 1.193 228 L HN 0.588 nan 8.230 nan 0.000 0.426 229 N N 3.681 122.043 118.700 -0.563 0.000 2.240 229 N HA 0.393 5.132 4.740 -0.001 0.000 0.302 229 N C -2.329 173.162 175.510 -0.031 0.000 1.106 229 N CA -1.689 51.269 53.050 -0.153 0.000 0.778 229 N CB 3.256 41.824 38.487 0.135 0.000 1.431 229 N HN 0.133 nan 8.380 nan 0.000 0.479 230 P HA -0.022 nan 4.420 nan 0.000 0.222 230 P C 0.176 177.560 177.300 0.140 0.000 1.153 230 P CA 0.765 64.017 63.100 0.253 0.000 0.798 230 P CB 0.268 32.064 31.700 0.160 0.000 0.796 231 S N -0.581 115.198 115.700 0.131 0.000 2.452 231 S HA 0.168 4.637 4.470 -0.001 0.000 0.284 231 S C 1.286 175.943 174.600 0.095 0.000 1.171 231 S CA -0.603 57.666 58.200 0.115 0.000 1.064 231 S CB 0.226 63.506 63.200 0.133 0.000 0.967 231 S HN -0.253 nan 8.310 nan 0.000 0.484 232 V N 5.915 125.878 119.914 0.082 0.000 2.287 232 V HA -0.180 3.940 4.120 -0.001 0.000 0.248 232 V C 2.812 178.934 176.094 0.048 0.000 1.053 232 V CA 2.425 64.765 62.300 0.068 0.000 1.027 232 V CB -1.452 30.413 31.823 0.070 0.000 0.646 232 V HN 0.981 nan 8.190 nan 0.000 0.447 233 A N -0.030 122.812 122.820 0.036 0.000 1.883 233 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 233 A C 2.420 180.029 177.584 0.042 0.000 1.186 233 A CA 2.351 54.369 52.037 -0.033 0.000 0.624 233 A CB -0.858 17.977 19.000 -0.276 0.000 0.822 233 A HN 0.590 nan 8.150 nan 0.000 0.444 234 A N -1.237 121.611 122.820 0.047 0.000 1.898 234 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 234 A C 2.302 179.629 177.584 -0.429 0.000 1.181 234 A CA 2.232 54.159 52.037 -0.184 0.000 0.620 234 A CB -1.299 17.656 19.000 -0.075 0.000 0.819 234 A HN 0.430 nan 8.150 nan 0.000 0.442 235 T N 0.776 115.308 114.554 -0.038 0.000 2.684 235 T HA -0.144 4.205 4.350 -0.001 0.000 0.267 235 T C 1.795 176.521 174.700 0.042 0.000 1.036 235 T CA 1.658 63.849 62.100 0.152 0.000 1.148 235 T CB -0.454 68.515 68.868 0.168 0.000 0.863 235 T HN 0.387 nan 8.240 nan 0.000 0.436 236 L N 0.582 121.796 121.223 -0.016 0.000 2.083 236 L HA 0.011 4.350 4.340 -0.001 0.000 0.209 236 L C 3.039 179.861 176.870 -0.081 0.000 1.083 236 L CA 1.297 56.127 54.840 -0.018 0.000 0.752 236 L CB -1.006 41.047 42.059 -0.010 0.000 0.899 236 L HN 0.348 nan 8.230 nan 0.000 0.433 237 G N -0.373 108.308 108.800 -0.199 0.000 2.448 237 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.219 237 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.219 237 G C 1.316 176.059 174.900 -0.262 0.000 1.127 237 G CA 0.331 45.266 45.100 -0.276 0.000 0.766 237 G HN 0.186 nan 8.290 nan 0.000 0.552 238 F N 1.788 121.616 119.950 -0.203 0.000 2.216 238 F HA 0.067 4.593 4.527 -0.001 0.000 0.300 238 F C 2.741 178.439 175.800 -0.170 0.000 1.085 238 F CA 0.385 58.186 58.000 -0.332 0.000 1.326 238 F CB -0.784 37.621 39.000 -0.992 0.000 1.027 238 F HN 0.166 nan 8.300 nan 0.000 0.497 239 G N -0.189 108.647 108.800 0.061 0.000 2.511 239 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.216 239 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.216 239 G C 1.965 176.909 174.900 0.073 0.000 1.218 239 G CA 1.167 46.314 45.100 0.078 0.000 0.788 239 G HN 0.441 nan 8.290 nan 0.000 0.560 240 A N -0.203 122.649 122.820 0.053 0.000 1.883 240 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 240 A C 2.277 179.898 177.584 0.062 0.000 1.186 240 A CA 1.946 54.008 52.037 0.042 0.000 0.624 240 A CB -0.809 18.205 19.000 0.022 0.000 0.822 240 A HN 0.546 nan 8.150 nan 0.000 0.444 241 Y N -0.136 120.156 120.300 -0.013 0.000 2.145 241 Y HA -0.228 4.322 4.550 -0.001 0.000 0.286 241 Y C 2.351 178.300 175.900 0.082 0.000 1.145 241 Y CA 2.202 60.308 58.100 0.011 0.000 1.148 241 Y CB -0.245 38.211 38.460 -0.007 0.000 0.981 241 Y HN 0.208 nan 8.280 nan 0.000 0.507 242 M N -0.486 119.167 119.600 0.088 0.000 2.149 242 M HA -0.225 4.255 4.480 -0.001 0.000 0.261 242 M C 2.549 178.852 176.300 0.004 0.000 1.064 242 M CA 1.784 57.131 55.300 0.079 0.000 1.102 242 M CB -1.589 31.123 32.600 0.186 0.000 1.369 242 M HN 0.381 nan 8.290 nan 0.000 0.408 243 S N 0.976 116.675 115.700 -0.001 0.000 2.351 243 S HA -0.182 4.287 4.470 -0.001 0.000 0.220 243 S C 1.884 176.437 174.600 -0.079 0.000 1.035 243 S CA 1.867 60.057 58.200 -0.016 0.000 1.031 243 S CB -0.068 63.132 63.200 -0.001 0.000 0.928 243 S HN 0.560 nan 8.310 nan 0.000 0.433 244 K N 0.686 121.004 120.400 -0.137 0.000 2.103 244 K HA 0.164 4.484 4.320 -0.001 0.000 0.204 244 K C 2.195 178.632 176.600 -0.271 0.000 1.052 244 K CA 1.172 57.357 56.287 -0.169 0.000 0.945 244 K CB -0.418 31.998 32.500 -0.140 0.000 0.722 244 K HN 0.376 nan 8.250 nan 0.000 0.443 245 A N 1.313 123.846 122.820 -0.479 0.000 2.030 245 A HA -0.009 4.310 4.320 -0.001 0.000 0.215 245 A C 1.168 178.312 177.584 -0.733 0.000 1.164 245 A CA 0.491 52.124 52.037 -0.674 0.000 0.697 245 A CB -0.212 18.118 19.000 -1.117 0.000 0.827 245 A HN 0.358 nan 8.150 nan 0.000 0.457 246 H N -1.978 116.974 119.070 -0.197 0.000 3.230 246 H HA 0.236 4.791 4.556 -0.001 0.000 0.259 246 H C 1.272 176.567 175.328 -0.055 0.000 1.195 246 H CA 0.280 56.271 56.048 -0.095 0.000 1.112 246 H CB 0.346 30.074 29.762 -0.057 0.000 1.638 246 H HN 0.561 nan 8.280 nan 0.000 0.624 247 G N 2.138 110.942 108.800 0.007 0.000 2.283 247 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.280 247 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.280 247 G C 0.068 174.992 174.900 0.040 0.000 1.029 247 G CA 0.535 45.641 45.100 0.010 0.000 0.840 247 G HN 0.374 nan 8.290 nan 0.000 0.505 248 I N 0.256 120.864 120.570 0.064 0.000 2.436 248 I HA 0.288 4.457 4.170 -0.001 0.000 0.289 248 I C -0.844 175.319 176.117 0.078 0.000 1.010 248 I CA -0.819 60.526 61.300 0.074 0.000 1.098 248 I CB 1.791 39.848 38.000 0.095 0.000 1.266 248 I HN -0.068 nan 8.210 nan 0.000 0.434 249 D N 8.564 129.006 120.400 0.069 0.000 2.485 249 D HA 0.261 4.901 4.640 -0.001 0.000 0.221 249 D C -2.417 173.941 176.300 0.097 0.000 1.112 249 D CA -1.075 52.969 54.000 0.074 0.000 0.911 249 D CB 1.311 42.141 40.800 0.051 0.000 1.019 249 D HN 0.195 nan 8.370 nan 0.000 0.516 250 P HA 0.085 nan 4.420 nan 0.000 0.276 250 P C 0.006 177.402 177.300 0.160 0.000 1.244 250 P CA -0.617 62.591 63.100 0.180 0.000 0.801 250 P CB 1.236 33.142 31.700 0.343 0.000 1.006 251 N N 1.552 120.336 118.700 0.141 0.000 2.454 251 N HA 0.133 4.873 4.740 -0.001 0.000 0.254 251 N C -0.149 175.462 175.510 0.169 0.000 1.228 251 N CA 0.345 53.473 53.050 0.131 0.000 0.900 251 N CB 0.287 38.844 38.487 0.117 0.000 1.089 251 N HN 0.318 nan 8.380 nan 0.000 0.449 252 I N 2.010 122.666 120.570 0.143 0.000 2.478 252 I HA 0.286 4.455 4.170 -0.001 0.000 0.287 252 I C 0.009 176.195 176.117 0.115 0.000 1.042 252 I CA -0.388 61.004 61.300 0.153 0.000 1.067 252 I CB 1.544 39.622 38.000 0.130 0.000 1.233 252 I HN 0.285 nan 8.210 nan 0.000 0.431 253 R N 4.042 124.610 120.500 0.113 0.000 2.422 253 R HA 0.609 4.948 4.340 -0.001 0.000 0.307 253 R C -0.266 176.081 176.300 0.078 0.000 1.004 253 R CA -0.506 55.647 56.100 0.089 0.000 0.882 253 R CB 2.338 32.692 30.300 0.089 0.000 1.164 253 R HN 0.767 nan 8.270 nan 0.000 0.489 254 T N -2.276 112.319 114.554 0.067 0.000 2.864 254 T HA 0.382 4.731 4.350 -0.001 0.000 0.289 254 T C 1.217 175.943 174.700 0.044 0.000 1.082 254 T CA -0.424 61.708 62.100 0.054 0.000 1.009 254 T CB 1.814 70.713 68.868 0.052 0.000 1.234 254 T HN 0.403 nan 8.240 nan 0.000 0.526 255 G N -0.240 108.576 108.800 0.027 0.000 2.440 255 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.218 255 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.218 255 G C 1.314 176.230 174.900 0.027 0.000 1.154 255 G CA 1.026 46.136 45.100 0.016 0.000 0.767 255 G HN 0.722 nan 8.290 nan 0.000 0.552 256 V N -0.532 119.399 119.914 0.029 0.000 3.506 256 V HA 0.429 4.548 4.120 -0.001 0.000 0.263 256 V C 0.799 176.915 176.094 0.035 0.000 1.203 256 V CA 0.630 62.949 62.300 0.032 0.000 1.133 256 V CB -0.250 31.592 31.823 0.031 0.000 0.802 256 V HN 0.366 nan 8.190 nan 0.000 0.459 257 R N -0.772 119.752 120.500 0.040 0.000 2.633 257 R HA 0.372 4.711 4.340 -0.001 0.000 0.256 257 R C -1.542 174.788 176.300 0.050 0.000 1.131 257 R CA -0.222 55.903 56.100 0.041 0.000 0.994 257 R CB 1.724 32.047 30.300 0.037 0.000 1.261 257 R HN 0.165 nan 8.270 nan 0.000 0.446 258 T N 5.316 119.900 114.554 0.050 0.000 2.861 258 T HA 0.570 4.920 4.350 -0.001 0.000 0.287 258 T C -0.594 174.139 174.700 0.055 0.000 1.003 258 T CA -0.480 61.655 62.100 0.057 0.000 0.977 258 T CB 1.004 69.906 68.868 0.056 0.000 0.996 258 T HN 0.386 nan 8.240 nan 0.000 0.448 259 I N 2.595 123.203 120.570 0.064 0.000 2.478 259 I HA 0.346 4.515 4.170 -0.001 0.000 0.287 259 I C -0.277 175.881 176.117 0.067 0.000 1.042 259 I CA -0.713 60.623 61.300 0.061 0.000 1.067 259 I CB 2.174 40.212 38.000 0.063 0.000 1.233 259 I HN 0.480 nan 8.210 nan 0.000 0.431 260 T N 2.912 117.500 114.554 0.056 0.000 2.809 260 T HA 0.247 4.596 4.350 -0.001 0.000 0.296 260 T C 0.868 175.596 174.700 0.047 0.000 1.015 260 T CA -0.487 61.647 62.100 0.055 0.000 0.954 260 T CB 1.141 70.037 68.868 0.047 0.000 0.950 260 T HN 0.795 nan 8.240 nan 0.000 0.450 261 T N -0.702 113.883 114.554 0.051 0.000 3.001 261 T HA 0.386 4.735 4.350 -0.001 0.000 0.251 261 T C 1.822 176.543 174.700 0.034 0.000 1.040 261 T CA 0.469 62.594 62.100 0.042 0.000 0.985 261 T CB 0.110 69.007 68.868 0.049 0.000 1.011 261 T HN 0.910 nan 8.240 nan 0.000 0.509 262 G N 1.659 110.480 108.800 0.035 0.000 2.179 262 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.260 262 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.260 262 G C 0.445 175.360 174.900 0.024 0.000 0.977 262 G CA 0.019 45.132 45.100 0.021 0.000 0.641 262 G HN 1.217 nan 8.290 nan 0.000 0.533 263 A N 0.768 123.612 122.820 0.040 0.000 2.492 263 A HA 0.565 4.884 4.320 -0.001 0.000 0.236 263 A C 0.027 177.640 177.584 0.047 0.000 1.078 263 A CA 0.150 52.214 52.037 0.045 0.000 0.773 263 A CB 0.367 19.404 19.000 0.062 0.000 1.023 263 A HN 0.241 nan 8.150 nan 0.000 0.504 264 P HA 0.124 nan 4.420 nan 0.000 0.245 264 P C -0.433 176.913 177.300 0.077 0.000 1.212 264 P CA 0.485 63.615 63.100 0.051 0.000 0.774 264 P CB 0.010 31.733 31.700 0.038 0.000 0.999 265 V N -0.158 119.790 119.914 0.057 0.000 2.588 265 V HA 0.378 4.497 4.120 -0.001 0.000 0.304 265 V C -0.138 175.945 176.094 -0.019 0.000 1.042 265 V CA -0.201 62.088 62.300 -0.018 0.000 0.877 265 V CB 2.286 34.069 31.823 -0.067 0.000 0.996 265 V HN -0.111 nan 8.190 nan 0.000 0.425 266 T N 4.218 118.698 114.554 -0.123 0.000 2.848 266 T HA 0.614 4.963 4.350 -0.001 0.000 0.285 266 T C -1.211 173.298 174.700 -0.318 0.000 0.995 266 T CA -0.337 61.715 62.100 -0.079 0.000 0.970 266 T CB 0.995 69.889 68.868 0.044 0.000 0.976 266 T HN 0.402 nan 8.240 nan 0.000 0.441 267 Y N 1.454 121.718 120.300 -0.060 0.000 2.331 267 Y HA 0.605 5.154 4.550 -0.001 0.000 0.338 267 Y C 0.694 176.567 175.900 -0.045 0.000 0.992 267 Y CA -0.436 57.613 58.100 -0.085 0.000 1.121 267 Y CB 1.792 40.255 38.460 0.004 0.000 1.184 267 Y HN 0.572 nan 8.280 nan 0.000 0.469 268 S N 1.700 117.405 115.700 0.009 0.000 2.549 268 S HA 0.536 5.005 4.470 -0.001 0.000 0.280 268 S C -0.426 174.129 174.600 -0.074 0.000 1.109 268 S CA -0.803 57.393 58.200 -0.008 0.000 0.905 268 S CB 0.806 63.985 63.200 -0.035 0.000 1.081 268 S HN 0.717 nan 8.310 nan 0.000 0.477 269 T N 2.158 116.703 114.554 -0.016 0.000 2.813 269 T HA 0.270 4.620 4.350 -0.001 0.000 0.297 269 T C 0.859 175.511 174.700 -0.080 0.000 1.036 269 T CA 0.018 62.093 62.100 -0.043 0.000 1.044 269 T CB 0.050 68.939 68.868 0.035 0.000 0.993 269 T HN 0.630 nan 8.240 nan 0.000 0.535 270 Y N 1.344 121.640 120.300 -0.006 0.000 2.224 270 Y HA 0.071 4.620 4.550 -0.001 0.000 0.289 270 Y C 2.790 178.702 175.900 0.020 0.000 1.146 270 Y CA 1.691 59.787 58.100 -0.007 0.000 1.182 270 Y CB -1.020 37.404 38.460 -0.060 0.000 0.983 270 Y HN 0.893 nan 8.280 nan 0.000 0.524 271 G N -0.371 108.510 108.800 0.134 0.000 2.421 271 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.216 271 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.216 271 G C 1.684 176.623 174.900 0.065 0.000 1.171 271 G CA 1.212 46.354 45.100 0.069 0.000 0.775 271 G HN 0.233 nan 8.290 nan 0.000 0.543 272 K N 0.210 120.655 120.400 0.074 0.000 2.097 272 K HA 0.007 4.326 4.320 -0.001 0.000 0.205 272 K C 2.004 178.655 176.600 0.085 0.000 1.050 272 K CA 0.756 57.088 56.287 0.076 0.000 0.938 272 K CB -0.671 31.871 32.500 0.070 0.000 0.718 272 K HN 0.237 nan 8.250 nan 0.000 0.442 273 F N 0.888 120.803 119.950 -0.059 0.000 2.095 273 F HA -0.162 4.364 4.527 -0.001 0.000 0.298 273 F C 1.517 177.252 175.800 -0.108 0.000 1.104 273 F CA 1.647 59.602 58.000 -0.075 0.000 1.232 273 F CB -0.308 38.635 39.000 -0.095 0.000 0.987 273 F HN -0.004 nan 8.300 nan 0.000 0.475 274 L N 0.019 121.092 121.223 -0.250 0.000 2.046 274 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 274 L C 2.808 179.452 176.870 -0.377 0.000 1.077 274 L CA 1.225 55.715 54.840 -0.583 0.000 0.747 274 L CB -1.212 40.184 42.059 -1.105 0.000 0.896 274 L HN 0.256 nan 8.230 nan 0.000 0.432 275 A N -0.661 122.109 122.820 -0.085 0.000 2.019 275 A HA -0.209 4.110 4.320 -0.001 0.000 0.219 275 A C 1.742 179.350 177.584 0.040 0.000 1.164 275 A CA 1.768 53.907 52.037 0.171 0.000 0.644 275 A CB -0.400 18.731 19.000 0.218 0.000 0.805 275 A HN 0.360 nan 8.150 nan 0.000 0.449 276 D N -1.436 118.926 120.400 -0.063 0.000 2.349 276 D HA 0.239 4.878 4.640 -0.001 0.000 0.224 276 D C 1.355 177.574 176.300 -0.134 0.000 1.029 276 D CA 1.114 55.073 54.000 -0.069 0.000 0.879 276 D CB 0.181 40.953 40.800 -0.046 0.000 0.906 276 D HN 0.599 nan 8.370 nan 0.000 0.528 277 G N -0.209 108.468 108.800 -0.206 0.000 2.159 277 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.227 277 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.227 277 G C 0.862 175.552 174.900 -0.349 0.000 0.986 277 G CA 0.125 45.102 45.100 -0.205 0.000 0.651 277 G HN 0.797 nan 8.290 nan 0.000 0.523 278 G N -1.394 106.982 108.800 -0.707 0.000 2.499 278 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.232 278 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.232 278 G C 0.506 175.082 174.900 -0.541 0.000 1.251 278 G CA 0.265 44.717 45.100 -1.079 0.000 0.917 278 G HN 1.578 nan 8.290 nan 0.000 0.580 279 C N 0.731 119.980 119.300 -0.085 0.000 2.629 279 C HA 0.615 5.074 4.460 -0.001 0.000 0.410 279 C C 1.242 176.277 174.990 0.075 0.000 1.339 279 C CA 0.634 59.751 59.018 0.166 0.000 1.810 279 C CB 0.332 28.183 27.740 0.185 0.000 2.549 279 C HN 0.833 nan 8.230 nan 0.000 0.589 280 S N 2.073 117.844 115.700 0.119 0.000 2.438 280 S HA 0.524 4.993 4.470 -0.001 0.000 0.293 280 S C 0.583 175.207 174.600 0.039 0.000 1.141 280 S CA -0.340 57.892 58.200 0.054 0.000 1.080 280 S CB 0.534 63.761 63.200 0.046 0.000 0.978 280 S HN 1.074 nan 8.310 nan 0.000 0.479 281 G N 2.747 111.555 108.800 0.012 0.000 2.115 281 G HA2 0.304 4.264 3.960 -0.001 0.000 0.244 281 G HA3 0.304 4.264 3.960 -0.001 0.000 0.244 281 G C 1.202 176.095 174.900 -0.012 0.000 1.105 281 G CA 0.216 45.317 45.100 0.001 0.000 0.893 281 G HN 1.715 nan 8.290 nan 0.000 0.443 282 G N 1.126 109.922 108.800 -0.007 0.000 2.233 282 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.270 282 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.270 282 G C 1.244 176.098 174.900 -0.076 0.000 1.011 282 G CA 1.212 46.297 45.100 -0.025 0.000 0.762 282 G HN 1.802 nan 8.290 nan 0.000 0.511 283 A N -1.606 121.150 122.820 -0.107 0.000 1.975 283 A HA 0.576 4.896 4.320 -0.001 0.000 0.215 283 A C 0.709 177.926 177.584 -0.612 0.000 1.170 283 A CA 1.169 52.995 52.037 -0.352 0.000 0.656 283 A CB 0.237 19.015 19.000 -0.369 0.000 0.821 283 A HN 0.718 nan 8.150 nan 0.000 0.449 284 Y N -1.374 118.927 120.300 0.002 0.000 2.545 284 Y HA 0.378 4.928 4.550 -0.001 0.000 0.348 284 Y C 0.253 176.145 175.900 -0.014 0.000 1.002 284 Y CA -1.211 56.879 58.100 -0.016 0.000 1.039 284 Y CB 1.523 39.958 38.460 -0.042 0.000 1.271 284 Y HN 0.077 nan 8.280 nan 0.000 0.467 285 D N 1.205 121.691 120.400 0.144 0.000 2.277 285 D HA 0.172 4.812 4.640 -0.001 0.000 0.209 285 D C -0.043 176.218 176.300 -0.066 0.000 0.970 285 D CA 1.348 55.385 54.000 0.062 0.000 0.874 285 D CB 1.007 41.897 40.800 0.150 0.000 0.982 285 D HN 0.335 nan 8.370 nan 0.000 0.504 286 I N 1.344 121.848 120.570 -0.109 0.000 2.499 286 I HA 0.307 4.476 4.170 -0.001 0.000 0.288 286 I C -0.783 175.183 176.117 -0.252 0.000 1.048 286 I CA -0.559 60.571 61.300 -0.284 0.000 1.062 286 I CB 2.757 40.432 38.000 -0.541 0.000 1.238 286 I HN -0.326 nan 8.210 nan 0.000 0.426 287 I N 6.872 127.292 120.570 -0.250 0.000 2.382 287 I HA 0.404 4.574 4.170 -0.001 0.000 0.285 287 I C -0.288 175.658 176.117 -0.286 0.000 1.007 287 I CA -0.456 60.668 61.300 -0.293 0.000 1.142 287 I CB 1.500 39.361 38.000 -0.232 0.000 1.289 287 I HN 0.367 nan 8.210 nan 0.000 0.453 288 I N 5.677 126.062 120.570 -0.309 0.000 2.301 288 I HA 0.167 4.336 4.170 -0.001 0.000 0.292 288 I C -0.113 175.869 176.117 -0.225 0.000 1.046 288 I CA -0.341 60.817 61.300 -0.237 0.000 1.282 288 I CB 0.818 38.695 38.000 -0.206 0.000 1.409 288 I HN 0.588 nan 8.210 nan 0.000 0.484 289 C N 5.314 124.532 119.300 -0.137 0.000 2.311 289 C HA 0.135 4.594 4.460 -0.001 0.000 0.357 289 C C 0.721 175.740 174.990 0.049 0.000 1.086 289 C CA -0.495 58.522 59.018 -0.002 0.000 1.486 289 C CB -1.525 26.241 27.740 0.043 0.000 1.974 289 C HN 0.589 nan 8.230 nan 0.000 0.508 290 D N 2.151 122.561 120.400 0.017 0.000 2.339 290 D HA 0.096 4.735 4.640 -0.001 0.000 0.245 290 D C 0.706 177.081 176.300 0.125 0.000 1.115 290 D CA 0.477 54.507 54.000 0.051 0.000 0.917 290 D CB 0.675 41.477 40.800 0.003 0.000 1.192 290 D HN 0.577 nan 8.370 nan 0.000 0.428 291 E N 0.989 121.256 120.200 0.113 0.000 2.360 291 E HA -0.228 4.122 4.350 -0.001 0.000 0.238 291 E C 1.176 177.616 176.600 -0.266 0.000 1.186 291 E CA 0.602 56.989 56.400 -0.022 0.000 0.719 291 E CB -2.597 27.090 29.700 -0.022 0.000 1.236 291 E HN 0.564 nan 8.360 nan 0.000 0.386 292 C N -0.894 118.390 119.300 -0.027 0.000 2.503 292 C HA 0.011 4.470 4.460 -0.001 0.000 0.285 292 C C 2.055 177.026 174.990 -0.031 0.000 1.473 292 C CA 0.349 59.345 59.018 -0.036 0.000 1.708 292 C CB -1.443 26.315 27.740 0.029 0.000 1.638 292 C HN 0.596 nan 8.230 nan 0.000 0.585 293 H N -0.186 118.913 119.070 0.047 0.000 2.547 293 H HA 0.099 4.655 4.556 -0.001 0.000 0.272 293 H C 0.935 176.267 175.328 0.007 0.000 0.989 293 H CA 0.836 56.903 56.048 0.032 0.000 1.214 293 H CB -0.448 29.328 29.762 0.023 0.000 1.389 293 H HN 0.491 nan 8.280 nan 0.000 0.577 294 S N 1.932 117.402 115.700 -0.383 0.000 2.505 294 S HA 0.121 4.590 4.470 -0.001 0.000 0.276 294 S C 1.032 175.493 174.600 -0.230 0.000 1.274 294 S CA -0.084 57.956 58.200 -0.266 0.000 1.053 294 S CB 0.570 63.578 63.200 -0.319 0.000 0.919 294 S HN 0.595 nan 8.310 nan 0.000 0.490 295 T N 1.053 115.485 114.554 -0.203 0.000 3.228 295 T HA 0.188 4.537 4.350 -0.001 0.000 0.278 295 T C 0.200 174.674 174.700 -0.377 0.000 1.014 295 T CA -0.704 61.168 62.100 -0.380 0.000 0.904 295 T CB -0.444 68.236 68.868 -0.313 0.000 1.110 295 T HN 0.744 nan 8.240 nan 0.000 0.541 296 D N 1.717 121.956 120.400 -0.268 0.000 2.382 296 D HA 0.008 4.647 4.640 -0.001 0.000 0.240 296 D C 1.324 177.438 176.300 -0.311 0.000 1.146 296 D CA 0.170 54.030 54.000 -0.233 0.000 0.897 296 D CB 1.450 42.155 40.800 -0.158 0.000 1.197 296 D HN 0.282 nan 8.370 nan 0.000 0.432 297 S N 1.480 117.020 115.700 -0.267 0.000 2.399 297 S HA -0.198 4.271 4.470 -0.001 0.000 0.231 297 S C 1.733 176.179 174.600 -0.257 0.000 1.022 297 S CA 1.391 59.422 58.200 -0.282 0.000 0.983 297 S CB -0.756 62.308 63.200 -0.227 0.000 0.803 297 S HN 0.634 nan 8.310 nan 0.000 0.480 298 T N 2.080 116.518 114.554 -0.194 0.000 2.821 298 T HA -0.055 4.295 4.350 -0.001 0.000 0.267 298 T C 1.962 176.514 174.700 -0.247 0.000 1.046 298 T CA 1.833 63.849 62.100 -0.140 0.000 1.139 298 T CB -0.875 67.957 68.868 -0.059 0.000 0.871 298 T HN 0.567 nan 8.240 nan 0.000 0.454 299 T N 1.949 116.280 114.554 -0.372 0.000 2.777 299 T HA 0.073 4.423 4.350 -0.001 0.000 0.266 299 T C 1.987 176.307 174.700 -0.633 0.000 1.040 299 T CA 0.802 62.469 62.100 -0.721 0.000 1.141 299 T CB -0.354 68.140 68.868 -0.624 0.000 0.868 299 T HN 0.270 nan 8.240 nan 0.000 0.444 300 I N 0.580 120.823 120.570 -0.545 0.000 2.252 300 I HA -0.110 4.059 4.170 -0.001 0.000 0.245 300 I C 2.188 178.037 176.117 -0.446 0.000 1.102 300 I CA 0.752 61.648 61.300 -0.672 0.000 1.385 300 I CB -0.214 37.214 38.000 -0.954 0.000 1.064 300 I HN 0.150 nan 8.210 nan 0.000 0.414 301 L N 0.719 121.736 121.223 -0.343 0.000 2.093 301 L HA -0.019 4.320 4.340 -0.001 0.000 0.208 301 L C 2.290 179.082 176.870 -0.131 0.000 1.085 301 L CA 2.044 56.747 54.840 -0.229 0.000 0.755 301 L CB -1.306 40.626 42.059 -0.213 0.000 0.904 301 L HN 0.196 nan 8.230 nan 0.000 0.435 302 G N -0.155 108.565 108.800 -0.135 0.000 2.433 302 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.216 302 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.216 302 G C 1.654 176.609 174.900 0.091 0.000 1.186 302 G CA 1.172 46.317 45.100 0.075 0.000 0.779 302 G HN 0.450 nan 8.290 nan 0.000 0.543 303 I N 1.307 121.830 120.570 -0.079 0.000 2.226 303 I HA -0.090 4.079 4.170 -0.001 0.000 0.245 303 I C 3.070 179.261 176.117 0.123 0.000 1.100 303 I CA 0.935 62.257 61.300 0.036 0.000 1.374 303 I CB -0.441 37.582 38.000 0.039 0.000 1.057 303 I HN 0.263 nan 8.210 nan 0.000 0.413 304 G N 0.183 109.082 108.800 0.165 0.000 2.422 304 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.218 304 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.218 304 G C 1.647 176.601 174.900 0.090 0.000 1.146 304 G CA 1.409 46.600 45.100 0.153 0.000 0.769 304 G HN 0.280 nan 8.290 nan 0.000 0.547 305 T N 0.840 115.449 114.554 0.092 0.000 2.674 305 T HA -0.115 4.235 4.350 -0.001 0.000 0.265 305 T C 2.565 177.365 174.700 0.166 0.000 1.039 305 T CA 1.244 63.412 62.100 0.113 0.000 1.150 305 T CB -0.372 68.585 68.868 0.148 0.000 0.864 305 T HN 0.051 nan 8.240 nan 0.000 0.427 306 V N 1.755 121.797 119.914 0.214 0.000 2.250 306 V HA -0.200 3.919 4.120 -0.001 0.000 0.250 306 V C 2.518 178.670 176.094 0.098 0.000 1.060 306 V CA 1.758 64.142 62.300 0.141 0.000 1.030 306 V CB -0.762 31.070 31.823 0.015 0.000 0.643 306 V HN 0.439 nan 8.190 nan 0.000 0.445 307 L N -0.104 121.167 121.223 0.080 0.000 2.131 307 L HA -0.195 4.144 4.340 -0.001 0.000 0.210 307 L C 2.260 179.148 176.870 0.029 0.000 1.092 307 L CA 1.956 56.840 54.840 0.074 0.000 0.759 307 L CB -0.566 41.523 42.059 0.049 0.000 0.903 307 L HN 0.428 nan 8.230 nan 0.000 0.435 308 D N -0.868 119.546 120.400 0.024 0.000 2.234 308 D HA -0.144 4.495 4.640 -0.001 0.000 0.205 308 D C 2.091 178.364 176.300 -0.045 0.000 0.962 308 D CA 1.002 54.995 54.000 -0.011 0.000 0.855 308 D CB 0.317 41.119 40.800 0.003 0.000 0.951 308 D HN 0.297 nan 8.370 nan 0.000 0.500 309 Q N -1.019 118.770 119.800 -0.018 0.000 2.353 309 Q HA 0.340 4.679 4.340 -0.001 0.000 0.240 309 Q C 1.876 177.851 176.000 -0.042 0.000 0.868 309 Q CA 0.347 56.136 55.803 -0.023 0.000 0.944 309 Q CB 0.634 29.389 28.738 0.029 0.000 1.104 309 Q HN 0.218 nan 8.270 nan 0.000 0.531 310 A N 1.756 124.557 122.820 -0.032 0.000 1.858 310 A HA -0.269 4.050 4.320 -0.001 0.000 0.216 310 A C 1.906 179.420 177.584 -0.116 0.000 1.190 310 A CA 1.815 53.864 52.037 0.020 0.000 0.617 310 A CB -0.466 18.653 19.000 0.198 0.000 0.827 310 A HN 0.396 nan 8.150 nan 0.000 0.443 311 E N -0.873 118.994 120.200 -0.555 0.000 2.038 311 E HA -0.188 4.161 4.350 -0.001 0.000 0.195 311 E C 1.958 178.414 176.600 -0.239 0.000 1.000 311 E CA 1.812 57.837 56.400 -0.625 0.000 0.803 311 E CB -0.227 28.806 29.700 -1.112 0.000 0.750 311 E HN 0.533 nan 8.360 nan 0.000 0.448 312 T N 0.179 114.613 114.554 -0.200 0.000 2.881 312 T HA -0.094 4.255 4.350 -0.001 0.000 0.270 312 T C 1.553 176.220 174.700 -0.055 0.000 1.068 312 T CA 1.083 63.119 62.100 -0.106 0.000 1.131 312 T CB -0.151 68.664 68.868 -0.089 0.000 0.871 312 T HN 0.307 nan 8.240 nan 0.000 0.479 313 A N 0.232 123.030 122.820 -0.036 0.000 2.238 313 A HA 0.513 4.832 4.320 -0.001 0.000 0.208 313 A C 1.860 179.457 177.584 0.022 0.000 1.177 313 A CA 0.758 52.799 52.037 0.008 0.000 0.804 313 A CB -0.636 18.393 19.000 0.048 0.000 0.823 313 A HN 0.696 nan 8.150 nan 0.000 0.482 314 G N -1.944 106.864 108.800 0.012 0.000 2.132 314 G HA2 0.106 4.066 3.960 -0.001 0.000 0.234 314 G HA3 0.106 4.066 3.960 -0.001 0.000 0.234 314 G C 0.347 175.291 174.900 0.073 0.000 0.989 314 G CA 0.278 45.397 45.100 0.033 0.000 0.676 314 G HN 1.542 nan 8.290 nan 0.000 0.522 315 A N -0.569 122.318 122.820 0.112 0.000 2.371 315 A HA 0.783 5.102 4.320 -0.001 0.000 0.257 315 A C 1.169 178.879 177.584 0.210 0.000 1.089 315 A CA 0.445 52.567 52.037 0.142 0.000 0.794 315 A CB 0.428 19.523 19.000 0.159 0.000 1.029 315 A HN 0.435 nan 8.150 nan 0.000 0.488 316 R N -0.228 120.314 120.500 0.071 0.000 2.282 316 R HA 0.280 4.619 4.340 -0.001 0.000 0.195 316 R C -0.702 175.478 176.300 -0.200 0.000 0.909 316 R CA 0.213 56.322 56.100 0.015 0.000 1.039 316 R CB 0.286 30.567 30.300 -0.031 0.000 1.015 316 R HN 0.544 nan 8.270 nan 0.000 0.513 317 L N 0.194 121.256 121.223 -0.268 0.000 2.505 317 L HA 0.417 4.757 4.340 -0.001 0.000 0.266 317 L C -1.572 175.074 176.870 -0.373 0.000 0.954 317 L CA -0.770 53.815 54.840 -0.425 0.000 0.852 317 L CB 2.365 44.164 42.059 -0.433 0.000 1.282 317 L HN -0.317 nan 8.230 nan 0.000 0.403 318 V N 5.473 125.126 119.914 -0.435 0.000 2.417 318 V HA 0.608 4.728 4.120 -0.001 0.000 0.291 318 V C -0.560 175.355 176.094 -0.299 0.000 1.024 318 V CA -0.622 61.503 62.300 -0.292 0.000 0.861 318 V CB 1.929 33.644 31.823 -0.181 0.000 0.985 318 V HN 0.528 nan 8.190 nan 0.000 0.436 319 V N 6.602 126.365 119.914 -0.251 0.000 2.384 319 V HA 0.448 4.567 4.120 -0.001 0.000 0.287 319 V C -0.173 175.813 176.094 -0.181 0.000 1.020 319 V CA -0.519 61.651 62.300 -0.216 0.000 0.850 319 V CB 1.702 33.435 31.823 -0.149 0.000 0.987 319 V HN 0.639 nan 8.190 nan 0.000 0.436 320 L N 5.119 126.207 121.223 -0.225 0.000 2.272 320 L HA 0.713 5.052 4.340 -0.001 0.000 0.284 320 L C 0.418 177.282 176.870 -0.009 0.000 1.045 320 L CA -0.160 54.588 54.840 -0.153 0.000 0.842 320 L CB 0.961 42.839 42.059 -0.302 0.000 1.224 320 L HN 0.729 nan 8.230 nan 0.000 0.430 321 A N 2.576 125.424 122.820 0.047 0.000 2.318 321 A HA 0.835 5.155 4.320 -0.001 0.000 0.324 321 A C -0.213 177.487 177.584 0.192 0.000 1.170 321 A CA -0.407 51.701 52.037 0.118 0.000 0.810 321 A CB 1.744 20.786 19.000 0.070 0.000 1.198 321 A HN 0.519 nan 8.150 nan 0.000 0.484 322 T N 0.085 114.795 114.554 0.260 0.000 2.893 322 T HA 0.494 4.844 4.350 -0.001 0.000 0.337 322 T C 0.472 175.275 174.700 0.172 0.000 1.587 322 T CA 0.408 62.670 62.100 0.270 0.000 1.066 322 T CB 1.148 70.215 68.868 0.331 0.000 1.414 322 T HN 1.481 nan 8.240 nan 0.000 0.488 323 A N 1.583 124.456 122.820 0.088 0.000 2.169 323 A HA 0.335 4.654 4.320 -0.001 0.000 0.212 323 A C 1.078 178.627 177.584 -0.059 0.000 1.153 323 A CA 1.233 53.284 52.037 0.023 0.000 0.756 323 A CB -0.285 18.723 19.000 0.013 0.000 0.813 323 A HN 1.191 nan 8.150 nan 0.000 0.471 324 T N -1.187 113.303 114.554 -0.107 0.000 3.418 324 T HA 0.468 4.817 4.350 -0.001 0.000 0.315 324 T C -3.055 171.580 174.700 -0.109 0.000 1.447 324 T CA -1.737 60.279 62.100 -0.140 0.000 1.641 324 T CB 1.443 70.182 68.868 -0.216 0.000 0.904 324 T HN 0.079 nan 8.240 nan 0.000 0.640 325 P HA 0.407 nan 4.420 nan 0.000 0.276 325 P C -2.864 174.371 177.300 -0.108 0.000 1.261 325 P CA -1.894 61.070 63.100 -0.226 0.000 0.800 325 P CB -0.333 30.970 31.700 -0.662 0.000 1.066 326 P HA 0.110 nan 4.420 nan 0.000 0.267 326 P C 0.984 178.228 177.300 -0.094 0.000 1.205 326 P CA 1.317 64.390 63.100 -0.045 0.000 0.765 326 P CB -0.241 31.424 31.700 -0.057 0.000 0.828 327 G N 1.996 110.782 108.800 -0.024 0.000 2.234 327 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.235 327 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.235 327 G C 0.390 175.321 174.900 0.052 0.000 0.997 327 G CA 0.174 45.288 45.100 0.022 0.000 0.623 327 G HN 0.760 nan 8.290 nan 0.000 0.514 328 S N -0.019 115.680 115.700 -0.001 0.000 2.573 328 S HA 0.595 5.065 4.470 -0.001 0.000 0.277 328 S C 0.515 175.117 174.600 0.003 0.000 1.346 328 S CA 0.273 58.462 58.200 -0.018 0.000 1.034 328 S CB 1.919 65.082 63.200 -0.061 0.000 0.879 328 S HN 1.954 nan 8.310 nan 0.000 0.528 329 V N -1.299 118.607 119.914 -0.012 0.000 3.074 329 V HA 0.685 4.805 4.120 -0.001 0.000 0.314 329 V C -0.001 176.067 176.094 -0.042 0.000 1.117 329 V CA -1.029 61.261 62.300 -0.017 0.000 1.014 329 V CB 1.246 33.065 31.823 -0.006 0.000 1.057 329 V HN 0.895 nan 8.190 nan 0.000 0.438 330 T N 3.189 117.709 114.554 -0.057 0.000 2.799 330 T HA 0.471 4.820 4.350 -0.001 0.000 0.296 330 T C 0.123 174.787 174.700 -0.061 0.000 0.947 330 T CA 0.281 62.336 62.100 -0.076 0.000 1.141 330 T CB 0.378 69.179 68.868 -0.111 0.000 0.891 330 T HN 1.260 nan 8.240 nan 0.000 0.533 331 V N 2.473 122.356 119.914 -0.052 0.000 2.994 331 V HA 0.744 4.864 4.120 -0.001 0.000 0.318 331 V C -2.602 173.478 176.094 -0.025 0.000 1.085 331 V CA -2.932 59.343 62.300 -0.041 0.000 0.998 331 V CB 0.609 32.403 31.823 -0.048 0.000 1.063 331 V HN 0.486 nan 8.190 nan 0.000 0.447 332 P HA 0.212 nan 4.420 nan 0.000 0.268 332 P C -0.849 176.472 177.300 0.034 0.000 1.205 332 P CA 0.304 63.416 63.100 0.019 0.000 0.771 332 P CB 0.050 31.760 31.700 0.017 0.000 0.858 333 H N 3.907 122.965 119.070 -0.019 0.000 2.459 333 H HA 0.214 4.769 4.556 -0.001 0.000 0.332 333 H C -1.717 173.615 175.328 0.007 0.000 1.094 333 H CA -2.123 53.918 56.048 -0.012 0.000 1.224 333 H CB 1.499 31.248 29.762 -0.022 0.000 1.449 333 H HN 0.223 nan 8.280 nan 0.000 0.484 334 P HA -0.126 nan 4.420 nan 0.000 0.217 334 P C 0.664 178.065 177.300 0.168 0.000 1.148 334 P CA 1.068 64.202 63.100 0.057 0.000 0.828 334 P CB 0.521 32.202 31.700 -0.033 0.000 0.783 335 N N -1.070 117.848 118.700 0.365 0.000 2.398 335 N HA 0.095 4.834 4.740 -0.001 0.000 0.188 335 N C 0.324 175.915 175.510 0.134 0.000 1.122 335 N CA 0.412 53.592 53.050 0.217 0.000 0.866 335 N CB 0.203 38.806 38.487 0.194 0.000 0.970 335 N HN 0.247 nan 8.380 nan 0.000 0.462 336 I N 0.595 121.256 120.570 0.152 0.000 2.410 336 I HA 0.183 4.353 4.170 -0.001 0.000 0.286 336 I C 0.016 176.209 176.117 0.127 0.000 1.009 336 I CA -0.725 60.635 61.300 0.099 0.000 1.111 336 I CB 2.237 40.253 38.000 0.027 0.000 1.262 336 I HN -0.128 nan 8.210 nan 0.000 0.443 337 E N 6.946 127.223 120.200 0.128 0.000 2.229 337 E HA 0.255 4.605 4.350 -0.001 0.000 0.283 337 E C -0.860 175.853 176.600 0.189 0.000 1.030 337 E CA -0.440 56.039 56.400 0.133 0.000 0.836 337 E CB 0.987 30.747 29.700 0.100 0.000 1.068 337 E HN 0.532 nan 8.360 nan 0.000 0.401 338 E N 3.096 123.431 120.200 0.226 0.000 2.133 338 E HA 0.346 4.695 4.350 -0.001 0.000 0.274 338 E C -1.088 175.679 176.600 0.278 0.000 0.930 338 E CA -0.801 55.815 56.400 0.360 0.000 0.770 338 E CB 2.134 32.123 29.700 0.482 0.000 1.104 338 E HN 0.195 nan 8.360 nan 0.000 0.403 339 V N 2.097 122.091 119.914 0.132 0.000 2.483 339 V HA 0.429 4.548 4.120 -0.001 0.000 0.297 339 V C 0.129 175.915 176.094 -0.512 0.000 1.027 339 V CA -0.981 61.266 62.300 -0.088 0.000 0.855 339 V CB 1.509 33.282 31.823 -0.083 0.000 0.995 339 V HN 0.821 nan 8.190 nan 0.000 0.424 340 A N 5.155 127.536 122.820 -0.731 0.000 2.462 340 A HA 0.558 4.877 4.320 -0.001 0.000 0.243 340 A C -0.192 177.056 177.584 -0.558 0.000 1.076 340 A CA -0.181 51.152 52.037 -1.174 0.000 0.773 340 A CB 0.077 18.671 19.000 -0.676 0.000 1.010 340 A HN 0.658 nan 8.150 nan 0.000 0.493 341 L N 2.027 122.963 121.223 -0.479 0.000 2.467 341 L HA 0.303 4.642 4.340 -0.001 0.000 0.270 341 L C 1.262 178.047 176.870 -0.143 0.000 1.205 341 L CA 0.857 55.562 54.840 -0.226 0.000 0.828 341 L CB 0.856 42.846 42.059 -0.116 0.000 1.101 341 L HN 0.975 nan 8.230 nan 0.000 0.479 342 S N 1.390 117.039 115.700 -0.086 0.000 2.786 342 S HA 0.411 4.880 4.470 -0.001 0.000 0.307 342 S C 0.616 175.206 174.600 -0.017 0.000 1.121 342 S CA -0.582 57.589 58.200 -0.048 0.000 0.975 342 S CB 0.679 63.852 63.200 -0.045 0.000 1.220 342 S HN 0.528 nan 8.310 nan 0.000 0.550 343 N N 0.004 118.700 118.700 -0.006 0.000 2.515 343 N HA 0.124 4.863 4.740 -0.001 0.000 0.185 343 N C -0.488 175.022 175.510 0.000 0.000 1.109 343 N CA 0.434 53.486 53.050 0.005 0.000 0.903 343 N CB 0.014 38.505 38.487 0.006 0.000 0.969 343 N HN 0.500 nan 8.380 nan 0.000 0.450 344 T N 0.762 115.310 114.554 -0.010 0.000 2.729 344 T HA 0.588 4.938 4.350 -0.001 0.000 0.296 344 T C 0.382 175.071 174.700 -0.018 0.000 0.928 344 T CA -0.259 61.832 62.100 -0.014 0.000 1.045 344 T CB 0.936 69.792 68.868 -0.019 0.000 0.902 344 T HN 0.312 nan 8.240 nan 0.000 0.500 345 G N 2.525 111.317 108.800 -0.013 0.000 2.347 345 G HA2 0.225 4.184 3.960 -0.001 0.000 0.303 345 G HA3 0.225 4.184 3.960 -0.001 0.000 0.303 345 G C 0.111 175.006 174.900 -0.009 0.000 1.481 345 G CA -0.751 44.338 45.100 -0.018 0.000 0.914 345 G HN 0.400 nan 8.290 nan 0.000 0.638 346 E N -0.426 119.766 120.200 -0.013 0.000 2.435 346 E HA 0.076 4.426 4.350 -0.001 0.000 0.195 346 E C 0.842 177.444 176.600 0.003 0.000 1.029 346 E CA 0.517 56.913 56.400 -0.006 0.000 0.865 346 E CB 0.684 30.378 29.700 -0.011 0.000 0.833 346 E HN 0.483 nan 8.360 nan 0.000 0.510 347 I N 3.167 123.740 120.570 0.005 0.000 2.359 347 I HA 0.237 4.406 4.170 -0.001 0.000 0.284 347 I C -2.489 173.670 176.117 0.070 0.000 1.018 347 I CA -2.573 58.742 61.300 0.025 0.000 1.173 347 I CB 1.675 39.676 38.000 0.001 0.000 1.326 347 I HN -0.301 nan 8.210 nan 0.000 0.462 348 P HA 0.080 nan 4.420 nan 0.000 0.268 348 P C -0.930 176.493 177.300 0.205 0.000 1.204 348 P CA 0.136 63.294 63.100 0.097 0.000 0.768 348 P CB 0.290 32.014 31.700 0.040 0.000 0.842 349 F N 4.716 124.680 119.950 0.024 0.000 3.164 349 F HA 0.269 4.796 4.527 -0.001 0.000 0.375 349 F C -0.797 175.119 175.800 0.194 0.000 1.257 349 F CA -0.540 57.522 58.000 0.104 0.000 1.171 349 F CB 0.313 39.389 39.000 0.126 0.000 1.588 349 F HN 0.271 nan 8.300 nan 0.000 0.604 350 Y N 3.870 123.955 120.300 -0.358 0.000 3.305 350 Y HA -0.143 4.406 4.550 -0.001 0.000 0.212 350 Y C 1.442 177.262 175.900 -0.134 0.000 1.248 350 Y CA 1.407 59.315 58.100 -0.320 0.000 1.359 350 Y CB -1.203 36.935 38.460 -0.537 0.000 1.407 350 Y HN 1.165 nan 8.280 nan 0.000 0.572 351 G N -1.891 106.903 108.800 -0.010 0.000 2.225 351 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.254 351 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.254 351 G C 0.747 175.676 174.900 0.048 0.000 0.988 351 G CA 0.591 45.701 45.100 0.017 0.000 0.625 351 G HN 0.311 nan 8.290 nan 0.000 0.527 352 K N -0.044 120.411 120.400 0.093 0.000 2.401 352 K HA 0.944 5.264 4.320 -0.001 0.000 0.255 352 K C 0.102 176.777 176.600 0.126 0.000 1.062 352 K CA 0.098 56.444 56.287 0.099 0.000 0.999 352 K CB 1.124 33.689 32.500 0.109 0.000 1.415 352 K HN 1.004 nan 8.250 nan 0.000 0.576 353 A N 0.540 123.421 122.820 0.101 0.000 2.515 353 A HA 0.673 4.992 4.320 -0.001 0.000 0.298 353 A C -1.048 176.552 177.584 0.027 0.000 1.059 353 A CA -0.666 51.419 52.037 0.080 0.000 0.698 353 A CB 0.776 19.796 19.000 0.034 0.000 1.289 353 A HN 0.498 nan 8.150 nan 0.000 0.404 354 I N 2.559 123.124 120.570 -0.009 0.000 2.321 354 I HA 0.341 4.510 4.170 -0.001 0.000 0.291 354 I C -2.309 173.757 176.117 -0.086 0.000 0.998 354 I CA -2.154 59.084 61.300 -0.104 0.000 1.227 354 I CB 2.130 40.005 38.000 -0.209 0.000 1.368 354 I HN 0.344 nan 8.210 nan 0.000 0.466 355 P HA 0.109 nan 4.420 nan 0.000 0.276 355 P C 0.788 178.034 177.300 -0.089 0.000 1.235 355 P CA -0.210 62.844 63.100 -0.076 0.000 0.772 355 P CB 0.915 32.571 31.700 -0.074 0.000 0.871 356 I N 3.380 123.911 120.570 -0.066 0.000 2.236 356 I HA -0.282 3.887 4.170 -0.001 0.000 0.249 356 I C 1.634 177.709 176.117 -0.071 0.000 1.102 356 I CA 1.888 63.150 61.300 -0.063 0.000 1.365 356 I CB -0.266 37.712 38.000 -0.037 0.000 1.051 356 I HN 0.358 nan 8.210 nan 0.000 0.420 357 E N 0.313 120.476 120.200 -0.061 0.000 2.418 357 E HA -0.065 4.285 4.350 -0.001 0.000 0.197 357 E C 2.078 178.633 176.600 -0.076 0.000 1.026 357 E CA 0.886 57.255 56.400 -0.051 0.000 0.862 357 E CB -0.143 29.535 29.700 -0.035 0.000 0.799 357 E HN 0.655 nan 8.360 nan 0.000 0.518 358 A N 1.114 123.859 122.820 -0.126 0.000 2.123 358 A HA -0.009 4.310 4.320 -0.001 0.000 0.214 358 A C 1.967 179.320 177.584 -0.386 0.000 1.152 358 A CA 0.473 52.394 52.037 -0.192 0.000 0.728 358 A CB -0.275 18.605 19.000 -0.200 0.000 0.814 358 A HN 0.315 nan 8.150 nan 0.000 0.464 359 I N -5.948 114.426 120.570 -0.326 0.000 4.338 359 I HA 0.423 4.593 4.170 -0.001 0.000 0.329 359 I C 0.488 176.568 176.117 -0.061 0.000 1.378 359 I CA -0.305 60.742 61.300 -0.421 0.000 1.170 359 I CB 0.555 38.358 38.000 -0.328 0.000 1.206 359 I HN -0.075 nan 8.210 nan 0.000 0.432 360 R N 2.249 122.732 120.500 -0.028 0.000 2.363 360 R HA 0.599 4.939 4.340 -0.001 0.000 0.297 360 R C -0.329 175.996 176.300 0.043 0.000 1.208 360 R CA -0.003 56.110 56.100 0.023 0.000 1.121 360 R CB 1.384 31.683 30.300 -0.003 0.000 1.124 360 R HN 0.452 nan 8.270 nan 0.000 0.561 361 G N 0.576 109.425 108.800 0.081 0.000 3.392 361 G HA2 0.651 4.610 3.960 -0.001 0.000 0.185 361 G HA3 0.651 4.610 3.960 -0.001 0.000 0.185 361 G C 0.118 175.137 174.900 0.199 0.000 1.206 361 G CA 0.072 45.247 45.100 0.124 0.000 0.776 361 G HN 0.769 nan 8.290 nan 0.000 0.697 362 G N -0.782 108.063 108.800 0.074 0.000 2.587 362 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.212 362 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.212 362 G C -0.610 174.189 174.900 -0.169 0.000 1.327 362 G CA -0.173 44.898 45.100 -0.049 0.000 0.898 362 G HN 0.686 nan 8.290 nan 0.000 0.551 363 R N 0.550 120.813 120.500 -0.395 0.000 2.393 363 R HA 0.618 4.957 4.340 -0.001 0.000 0.315 363 R C -0.823 175.244 176.300 -0.388 0.000 0.952 363 R CA -0.772 55.177 56.100 -0.252 0.000 0.842 363 R CB 1.407 31.622 30.300 -0.143 0.000 1.163 363 R HN 0.629 nan 8.270 nan 0.000 0.450 364 H N 2.437 121.660 119.070 0.254 0.000 2.806 364 H HA 0.318 4.874 4.556 -0.001 0.000 0.367 364 H C -1.276 173.939 175.328 -0.188 0.000 1.136 364 H CA -0.927 55.167 56.048 0.077 0.000 1.178 364 H CB 2.565 32.314 29.762 -0.021 0.000 1.718 364 H HN 0.218 nan 8.280 nan 0.000 0.540 365 L N 3.660 124.604 121.223 -0.465 0.000 2.343 365 L HA 0.467 4.806 4.340 -0.001 0.000 0.278 365 L C -1.101 175.462 176.870 -0.512 0.000 0.996 365 L CA -0.321 54.016 54.840 -0.837 0.000 0.831 365 L CB 0.582 41.643 42.059 -1.663 0.000 1.232 365 L HN 0.487 nan 8.230 nan 0.000 0.413 366 I N 5.332 125.665 120.570 -0.395 0.000 2.362 366 I HA 0.306 4.475 4.170 -0.001 0.000 0.289 366 I C -0.870 175.131 176.117 -0.194 0.000 0.994 366 I CA -0.437 60.723 61.300 -0.234 0.000 1.158 366 I CB 1.124 39.030 38.000 -0.157 0.000 1.315 366 I HN 0.437 nan 8.210 nan 0.000 0.451 367 F N 4.994 124.997 119.950 0.087 0.000 2.411 367 F HA 0.332 4.858 4.527 -0.001 0.000 0.355 367 F C 0.464 176.370 175.800 0.175 0.000 1.117 367 F CA -0.193 57.874 58.000 0.113 0.000 1.139 367 F CB 0.873 39.924 39.000 0.086 0.000 1.120 367 F HN 0.391 nan 8.300 nan 0.000 0.493 368 C N 3.068 122.569 119.300 0.335 0.000 2.470 368 C HA 0.243 4.702 4.460 -0.001 0.000 0.341 368 C C 1.773 176.892 174.990 0.216 0.000 1.190 368 C CA -0.557 58.638 59.018 0.294 0.000 1.904 368 C CB 1.335 29.260 27.740 0.308 0.000 2.354 368 C HN 0.930 nan 8.230 nan 0.000 0.509 369 H N 0.226 119.382 119.070 0.143 0.000 2.535 369 H HA 0.066 4.621 4.556 -0.001 0.000 0.273 369 H C 0.398 175.767 175.328 0.067 0.000 0.983 369 H CA 1.184 57.283 56.048 0.085 0.000 1.238 369 H CB 0.171 29.980 29.762 0.078 0.000 1.412 369 H HN 0.620 nan 8.280 nan 0.000 0.562 370 S N -0.453 114.961 115.700 -0.476 0.000 2.588 370 S HA 0.339 4.808 4.470 -0.001 0.000 0.275 370 S C 0.448 174.850 174.600 -0.330 0.000 1.130 370 S CA -1.004 56.932 58.200 -0.440 0.000 0.855 370 S CB 3.026 65.849 63.200 -0.630 0.000 1.116 370 S HN 0.162 nan 8.310 nan 0.000 0.472 371 K N 1.198 121.336 120.400 -0.438 0.000 2.057 371 K HA -0.106 4.214 4.320 -0.001 0.000 0.207 371 K C 1.973 178.298 176.600 -0.457 0.000 1.049 371 K CA 1.472 57.290 56.287 -0.782 0.000 0.931 371 K CB -0.274 31.465 32.500 -1.269 0.000 0.714 371 K HN 0.677 nan 8.250 nan 0.000 0.440 372 K N 1.516 121.730 120.400 -0.309 0.000 2.063 372 K HA -0.220 4.099 4.320 -0.001 0.000 0.208 372 K C 2.022 178.558 176.600 -0.107 0.000 1.048 372 K CA 1.587 57.774 56.287 -0.168 0.000 0.928 372 K CB 0.072 32.495 32.500 -0.127 0.000 0.713 372 K HN -0.157 nan 8.250 nan 0.000 0.442 373 K N 0.559 120.883 120.400 -0.127 0.000 2.097 373 K HA -0.060 4.259 4.320 -0.001 0.000 0.205 373 K C 1.978 178.601 176.600 0.039 0.000 1.050 373 K CA 1.364 57.629 56.287 -0.037 0.000 0.938 373 K CB -0.484 32.008 32.500 -0.012 0.000 0.718 373 K HN 0.258 nan 8.250 nan 0.000 0.442 374 C N 1.054 120.370 119.300 0.027 0.000 2.429 374 C HA -0.104 4.355 4.460 -0.001 0.000 0.277 374 C C 2.057 177.122 174.990 0.125 0.000 1.262 374 C CA 0.772 59.857 59.018 0.112 0.000 1.733 374 C CB -0.711 27.135 27.740 0.177 0.000 2.010 374 C HN 0.511 nan 8.230 nan 0.000 0.483 375 D N 0.479 120.938 120.400 0.098 0.000 2.117 375 D HA -0.109 4.530 4.640 -0.001 0.000 0.197 375 D C 2.122 178.461 176.300 0.066 0.000 0.987 375 D CA 1.194 55.257 54.000 0.104 0.000 0.829 375 D CB -0.452 40.397 40.800 0.082 0.000 0.961 375 D HN 0.615 nan 8.370 nan 0.000 0.460 376 E N 0.024 120.249 120.200 0.042 0.000 2.047 376 E HA -0.144 4.206 4.350 -0.001 0.000 0.191 376 E C 2.054 178.685 176.600 0.050 0.000 0.987 376 E CA 0.341 56.762 56.400 0.034 0.000 0.799 376 E CB -0.025 29.683 29.700 0.013 0.000 0.752 376 E HN 0.071 nan 8.360 nan 0.000 0.449 377 L N 0.646 121.914 121.223 0.075 0.000 2.156 377 L HA -0.016 4.323 4.340 -0.001 0.000 0.208 377 L C 2.077 178.990 176.870 0.072 0.000 1.095 377 L CA 1.652 56.548 54.840 0.093 0.000 0.770 377 L CB -0.439 41.715 42.059 0.159 0.000 0.914 377 L HN 0.015 nan 8.230 nan 0.000 0.439 378 A N -0.496 122.368 122.820 0.073 0.000 1.930 378 A HA -0.023 4.296 4.320 -0.001 0.000 0.217 378 A C 2.442 180.054 177.584 0.046 0.000 1.175 378 A CA 1.497 53.570 52.037 0.060 0.000 0.627 378 A CB -1.008 18.035 19.000 0.071 0.000 0.815 378 A HN 0.528 nan 8.150 nan 0.000 0.443 379 A N 0.141 122.989 122.820 0.046 0.000 1.898 379 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 379 A C 2.068 179.669 177.584 0.029 0.000 1.181 379 A CA 2.246 54.304 52.037 0.036 0.000 0.620 379 A CB -0.395 18.626 19.000 0.034 0.000 0.819 379 A HN 0.513 nan 8.150 nan 0.000 0.442 380 K N 0.226 120.645 120.400 0.032 0.000 2.057 380 K HA 0.021 4.340 4.320 -0.001 0.000 0.206 380 K C 1.643 178.256 176.600 0.021 0.000 1.050 380 K CA 1.382 57.684 56.287 0.026 0.000 0.935 380 K CB -0.529 31.991 32.500 0.032 0.000 0.715 380 K HN 0.429 nan 8.250 nan 0.000 0.439 381 L N 0.721 121.958 121.223 0.023 0.000 2.265 381 L HA -0.049 4.290 4.340 -0.001 0.000 0.215 381 L C 0.828 177.707 176.870 0.015 0.000 1.117 381 L CA 1.130 55.978 54.840 0.014 0.000 0.782 381 L CB -0.331 41.736 42.059 0.013 0.000 0.914 381 L HN 0.313 nan 8.230 nan 0.000 0.441 382 S N -1.149 114.563 115.700 0.019 0.000 2.327 382 S HA 0.611 5.080 4.470 -0.001 0.000 0.203 382 S C 0.250 174.859 174.600 0.016 0.000 1.326 382 S CA -0.120 58.090 58.200 0.017 0.000 1.248 382 S CB 0.879 64.091 63.200 0.020 0.000 1.199 382 S HN 0.512 nan 8.310 nan 0.000 0.422 383 G N 2.304 111.113 108.800 0.014 0.000 2.936 383 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.237 383 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.237 383 G C 0.057 174.963 174.900 0.009 0.000 1.403 383 G CA -0.207 44.901 45.100 0.013 0.000 1.011 383 G HN 0.812 nan 8.290 nan 0.000 0.568 384 L N 2.209 123.436 121.223 0.007 0.000 2.741 384 L HA 0.523 4.863 4.340 -0.001 0.000 0.237 384 L C 1.792 178.665 176.870 0.005 0.000 1.178 384 L CA 0.657 55.499 54.840 0.004 0.000 0.973 384 L CB 0.166 42.225 42.059 -0.000 0.000 1.255 384 L HN 2.065 nan 8.230 nan 0.000 0.498 385 G N 0.815 109.620 108.800 0.008 0.000 2.147 385 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.244 385 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.244 385 G C 0.136 175.043 174.900 0.011 0.000 1.005 385 G CA -0.371 44.735 45.100 0.009 0.000 0.713 385 G HN 0.197 nan 8.290 nan 0.000 0.515 386 I N 0.632 121.209 120.570 0.012 0.000 2.396 386 I HA 0.196 4.365 4.170 -0.001 0.000 0.292 386 I C 0.599 176.729 176.117 0.022 0.000 0.999 386 I CA -0.996 60.314 61.300 0.018 0.000 1.310 386 I CB 1.262 39.271 38.000 0.014 0.000 1.404 386 I HN 0.177 nan 8.210 nan 0.000 0.496 387 N N 5.455 124.172 118.700 0.028 0.000 2.421 387 N HA 0.346 5.085 4.740 -0.001 0.000 0.260 387 N C -0.775 174.757 175.510 0.036 0.000 1.173 387 N CA -0.061 53.006 53.050 0.028 0.000 0.960 387 N CB 0.353 38.855 38.487 0.025 0.000 1.273 387 N HN 0.712 nan 8.380 nan 0.000 0.497 388 A N 2.575 125.415 122.820 0.033 0.000 2.365 388 A HA 0.718 5.037 4.320 -0.001 0.000 0.318 388 A C -0.805 176.802 177.584 0.037 0.000 1.091 388 A CA -0.656 51.404 52.037 0.038 0.000 0.763 388 A CB 1.203 20.223 19.000 0.034 0.000 1.248 388 A HN 0.536 nan 8.150 nan 0.000 0.442 389 V N -1.073 118.866 119.914 0.042 0.000 2.841 389 V HA 0.908 5.027 4.120 -0.001 0.000 0.310 389 V C 0.115 176.241 176.094 0.054 0.000 1.090 389 V CA -0.590 61.734 62.300 0.041 0.000 0.930 389 V CB 1.104 32.946 31.823 0.031 0.000 1.014 389 V HN 1.725 nan 8.190 nan 0.000 0.425 390 A N 3.246 126.098 122.820 0.054 0.000 2.331 390 A HA 0.762 5.081 4.320 -0.001 0.000 0.283 390 A C -1.056 176.522 177.584 -0.009 0.000 1.142 390 A CA -0.377 51.709 52.037 0.082 0.000 0.812 390 A CB 0.495 19.612 19.000 0.196 0.000 1.074 390 A HN 1.474 nan 8.150 nan 0.000 0.497 391 Y N 3.265 123.504 120.300 -0.102 0.000 2.361 391 Y HA 0.616 5.165 4.550 -0.001 0.000 0.337 391 Y C -1.034 174.814 175.900 -0.086 0.000 0.965 391 Y CA -0.891 57.081 58.100 -0.214 0.000 1.091 391 Y CB 1.250 39.616 38.460 -0.157 0.000 1.182 391 Y HN 0.780 nan 8.280 nan 0.000 0.450 392 Y N 2.924 122.753 120.300 -0.785 0.000 2.764 392 Y HA 0.553 5.102 4.550 -0.001 0.000 0.331 392 Y C -1.059 174.437 175.900 -0.673 0.000 1.280 392 Y CA -1.987 55.737 58.100 -0.628 0.000 1.065 392 Y CB 0.406 38.711 38.460 -0.258 0.000 1.319 392 Y HN 0.557 nan 8.280 nan 0.000 0.453 393 R N 1.517 121.926 120.500 -0.152 0.000 2.458 393 R HA 0.450 4.789 4.340 -0.001 0.000 0.303 393 R C 0.575 176.852 176.300 -0.038 0.000 1.013 393 R CA 0.650 56.675 56.100 -0.125 0.000 1.026 393 R CB -0.604 29.666 30.300 -0.049 0.000 0.948 393 R HN 1.655 nan 8.270 nan 0.000 0.417 394 G N 1.200 109.947 108.800 -0.089 0.000 2.255 394 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.196 394 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.196 394 G C -0.650 174.193 174.900 -0.095 0.000 0.998 394 G CA -0.148 44.930 45.100 -0.038 0.000 0.656 394 G HN 0.477 nan 8.290 nan 0.000 0.490 395 L N 1.579 122.664 121.223 -0.230 0.000 2.343 395 L HA 0.649 4.988 4.340 -0.001 0.000 0.275 395 L C 0.106 176.976 176.870 -0.001 0.000 1.056 395 L CA -0.822 53.900 54.840 -0.196 0.000 0.804 395 L CB 1.284 43.100 42.059 -0.405 0.000 1.203 395 L HN 0.169 nan 8.230 nan 0.000 0.440 396 D N -0.014 120.413 120.400 0.046 0.000 2.350 396 D HA 0.156 4.795 4.640 -0.001 0.000 0.249 396 D C 1.170 177.554 176.300 0.139 0.000 1.119 396 D CA -0.105 53.946 54.000 0.086 0.000 0.886 396 D CB 1.363 42.184 40.800 0.035 0.000 1.195 396 D HN 0.288 nan 8.370 nan 0.000 0.437 397 V N 2.315 122.291 119.914 0.103 0.000 2.546 397 V HA -0.278 3.842 4.120 -0.001 0.000 0.254 397 V C 2.191 178.218 176.094 -0.112 0.000 1.076 397 V CA 2.134 64.376 62.300 -0.097 0.000 1.087 397 V CB -0.737 31.025 31.823 -0.101 0.000 0.674 397 V HN 0.715 nan 8.190 nan 0.000 0.470 398 S N 0.739 116.418 115.700 -0.034 0.000 2.474 398 S HA -0.131 4.338 4.470 -0.001 0.000 0.235 398 S C 1.970 176.553 174.600 -0.029 0.000 0.997 398 S CA 1.219 59.400 58.200 -0.031 0.000 0.949 398 S CB -0.646 62.547 63.200 -0.012 0.000 0.766 398 S HN 0.676 nan 8.310 nan 0.000 0.517 399 V N 0.014 119.919 119.914 -0.015 0.000 2.568 399 V HA 0.119 4.238 4.120 -0.001 0.000 0.253 399 V C 1.020 177.100 176.094 -0.024 0.000 1.072 399 V CA 0.788 63.084 62.300 -0.006 0.000 1.084 399 V CB -1.184 30.654 31.823 0.025 0.000 0.676 399 V HN 0.564 nan 8.190 nan 0.000 0.469 400 I N 3.707 124.233 120.570 -0.072 0.000 2.352 400 I HA 0.328 4.497 4.170 -0.001 0.000 0.290 400 I C -2.033 174.059 176.117 -0.041 0.000 1.036 400 I CA -1.850 59.413 61.300 -0.062 0.000 1.336 400 I CB 1.032 38.959 38.000 -0.121 0.000 1.407 400 I HN 0.175 nan 8.210 nan 0.000 0.497 401 P HA 0.103 nan 4.420 nan 0.000 0.276 401 P C 0.643 177.907 177.300 -0.060 0.000 1.235 401 P CA -0.288 62.791 63.100 -0.035 0.000 0.772 401 P CB 1.065 32.751 31.700 -0.023 0.000 0.871 402 T N 0.349 114.860 114.554 -0.072 0.000 3.043 402 T HA 0.110 4.459 4.350 -0.001 0.000 0.263 402 T C 0.864 175.490 174.700 -0.123 0.000 1.094 402 T CA 0.636 62.671 62.100 -0.109 0.000 1.127 402 T CB -0.174 68.637 68.868 -0.095 0.000 0.905 402 T HN 0.196 nan 8.240 nan 0.000 0.490 403 I N 0.392 120.909 120.570 -0.089 0.000 2.892 403 I HA 0.678 4.847 4.170 -0.001 0.000 0.306 403 I C 0.673 176.751 176.117 -0.065 0.000 1.078 403 I CA 0.030 61.281 61.300 -0.083 0.000 1.032 403 I CB 1.761 39.723 38.000 -0.063 0.000 1.229 403 I HN 0.521 nan 8.210 nan 0.000 0.435 404 G N 2.887 111.650 108.800 -0.063 0.000 2.781 404 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.683 404 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.683 404 G C -1.026 173.851 174.900 -0.040 0.000 1.390 404 G CA -1.017 44.057 45.100 -0.044 0.000 0.850 404 G HN 0.624 nan 8.290 nan 0.000 0.557 405 D N -0.751 119.635 120.400 -0.022 0.000 2.533 405 D HA 0.401 5.040 4.640 -0.001 0.000 0.236 405 D C 0.573 176.881 176.300 0.013 0.000 1.137 405 D CA 1.355 55.352 54.000 -0.004 0.000 0.867 405 D CB 1.512 42.320 40.800 0.014 0.000 1.170 405 D HN 1.189 nan 8.370 nan 0.000 0.474 406 V N 2.304 122.240 119.914 0.037 0.000 3.167 406 V HA 0.347 4.466 4.120 -0.001 0.000 0.293 406 V C -1.599 174.566 176.094 0.117 0.000 1.379 406 V CA -0.664 61.675 62.300 0.065 0.000 1.019 406 V CB 2.410 34.268 31.823 0.059 0.000 1.115 406 V HN 0.203 nan 8.190 nan 0.000 0.442 407 V N 5.873 125.849 119.914 0.104 0.000 2.349 407 V HA 0.466 4.585 4.120 -0.001 0.000 0.284 407 V C -0.252 175.879 176.094 0.061 0.000 1.014 407 V CA -0.564 61.797 62.300 0.102 0.000 0.826 407 V CB 1.629 33.493 31.823 0.067 0.000 1.009 407 V HN 0.657 nan 8.190 nan 0.000 0.431 408 V N 6.102 126.046 119.914 0.050 0.000 2.406 408 V HA 0.323 4.442 4.120 -0.001 0.000 0.272 408 V C 0.085 176.137 176.094 -0.071 0.000 1.043 408 V CA -0.392 61.918 62.300 0.017 0.000 0.915 408 V CB 1.672 33.537 31.823 0.071 0.000 0.988 408 V HN 0.606 nan 8.190 nan 0.000 0.466 409 V N 5.111 125.021 119.914 -0.006 0.000 2.333 409 V HA 0.799 4.918 4.120 -0.001 0.000 0.274 409 V C 0.399 176.526 176.094 0.056 0.000 1.028 409 V CA -0.238 62.066 62.300 0.007 0.000 0.851 409 V CB 0.958 32.823 31.823 0.070 0.000 1.000 409 V HN 0.971 nan 8.190 nan 0.000 0.456 410 A N 3.720 126.534 122.820 -0.010 0.000 2.423 410 A HA 0.929 5.248 4.320 -0.001 0.000 0.304 410 A C 0.251 177.941 177.584 0.176 0.000 1.104 410 A CA -0.260 51.823 52.037 0.077 0.000 0.757 410 A CB 1.804 20.806 19.000 0.004 0.000 1.313 410 A HN 0.794 nan 8.150 nan 0.000 0.423 411 T N -1.553 113.131 114.554 0.216 0.000 2.793 411 T HA 0.274 4.624 4.350 -0.001 0.000 0.299 411 T C 0.142 175.044 174.700 0.337 0.000 1.038 411 T CA 0.161 62.397 62.100 0.227 0.000 0.948 411 T CB 0.130 69.065 68.868 0.111 0.000 1.231 411 T HN 0.405 nan 8.240 nan 0.000 0.538 412 D N 0.171 120.705 120.400 0.224 0.000 2.392 412 D HA 0.097 4.737 4.640 -0.001 0.000 0.228 412 D C 2.034 178.447 176.300 0.188 0.000 1.003 412 D CA 0.657 54.767 54.000 0.184 0.000 0.917 412 D CB -0.659 40.177 40.800 0.059 0.000 0.890 412 D HN 0.679 nan 8.370 nan 0.000 0.532 413 A N -0.025 122.899 122.820 0.174 0.000 2.131 413 A HA -0.145 4.174 4.320 -0.001 0.000 0.220 413 A C 1.690 179.420 177.584 0.244 0.000 1.158 413 A CA 0.900 53.033 52.037 0.160 0.000 0.665 413 A CB -0.052 18.971 19.000 0.038 0.000 0.795 413 A HN 0.205 nan 8.150 nan 0.000 0.460 414 L N -1.562 119.841 121.223 0.300 0.000 3.122 414 L HA 0.342 4.682 4.340 -0.001 0.000 0.274 414 L C 1.594 178.728 176.870 0.439 0.000 1.222 414 L CA 0.464 55.450 54.840 0.243 0.000 1.028 414 L CB -0.041 42.067 42.059 0.082 0.000 1.386 414 L HN 0.562 nan 8.230 nan 0.000 0.578 415 M N -0.930 118.892 119.600 0.371 0.000 2.200 415 M HA 0.008 4.487 4.480 -0.001 0.000 0.265 415 M C 0.692 177.107 176.300 0.192 0.000 1.066 415 M CA 1.372 56.788 55.300 0.193 0.000 1.127 415 M CB 0.186 32.758 32.600 -0.048 0.000 1.379 415 M HN 0.306 nan 8.290 nan 0.000 0.420 416 T N -3.006 111.679 114.554 0.218 0.000 2.912 416 T HA 0.638 4.987 4.350 -0.001 0.000 0.288 416 T C 0.831 175.678 174.700 0.244 0.000 1.030 416 T CA -0.068 62.181 62.100 0.248 0.000 1.020 416 T CB 1.776 70.844 68.868 0.334 0.000 1.056 416 T HN 0.604 nan 8.240 nan 0.000 0.480 417 G N 1.088 110.032 108.800 0.240 0.000 2.507 417 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.240 417 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.240 417 G C 0.000 174.981 174.900 0.135 0.000 1.119 417 G CA 0.420 45.652 45.100 0.219 0.000 0.664 417 G HN 1.162 nan 8.290 nan 0.000 0.516 418 Y N 2.977 123.284 120.300 0.013 0.000 2.425 418 Y HA 0.517 5.066 4.550 -0.001 0.000 0.331 418 Y C 0.323 176.190 175.900 -0.055 0.000 1.157 418 Y CA 0.850 58.910 58.100 -0.066 0.000 1.372 418 Y CB 1.066 39.536 38.460 0.017 0.000 1.253 418 Y HN 0.099 nan 8.280 nan 0.000 0.536 419 T N 5.410 119.522 114.554 -0.738 0.000 2.842 419 T HA 0.353 4.703 4.350 -0.001 0.000 0.308 419 T C 0.647 174.744 174.700 -1.004 0.000 1.041 419 T CA -0.124 61.598 62.100 -0.630 0.000 0.964 419 T CB 0.810 69.379 68.868 -0.497 0.000 0.972 419 T HN 0.890 nan 8.240 nan 0.000 0.460 420 G N 1.525 109.849 108.800 -0.794 0.000 3.453 420 G HA2 0.281 4.240 3.960 -0.001 0.000 0.263 420 G HA3 0.281 4.240 3.960 -0.001 0.000 0.263 420 G C 0.253 174.507 174.900 -1.077 0.000 1.060 420 G CA -0.468 44.052 45.100 -0.967 0.000 0.793 420 G HN 0.749 nan 8.290 nan 0.000 0.532 421 D N -0.706 119.295 120.400 -0.665 0.000 2.699 421 D HA -0.186 4.454 4.640 -0.001 0.000 0.239 421 D C -0.437 175.591 176.300 -0.453 0.000 1.136 421 D CA 0.425 54.157 54.000 -0.448 0.000 0.668 421 D CB -1.850 38.737 40.800 -0.355 0.000 1.060 421 D HN 0.301 nan 8.370 nan 0.000 0.429 422 F N 0.204 120.098 119.950 -0.093 0.000 2.394 422 F HA 0.290 4.816 4.527 -0.001 0.000 0.340 422 F C 1.887 177.629 175.800 -0.097 0.000 1.105 422 F CA -0.843 57.097 58.000 -0.100 0.000 1.124 422 F CB 0.940 39.916 39.000 -0.040 0.000 1.145 422 F HN -0.133 nan 8.300 nan 0.000 0.505 423 D N 0.560 120.967 120.400 0.012 0.000 2.224 423 D HA -0.055 4.584 4.640 -0.001 0.000 0.205 423 D C 0.641 177.017 176.300 0.127 0.000 0.965 423 D CA 1.006 55.008 54.000 0.004 0.000 0.852 423 D CB 0.203 40.942 40.800 -0.101 0.000 0.947 423 D HN 0.438 nan 8.370 nan 0.000 0.494 424 S N -0.915 114.913 115.700 0.213 0.000 2.570 424 S HA 0.539 5.009 4.470 -0.001 0.000 0.270 424 S C -0.997 173.703 174.600 0.167 0.000 1.149 424 S CA -0.913 57.433 58.200 0.243 0.000 0.837 424 S CB 2.434 65.802 63.200 0.281 0.000 1.124 424 S HN -0.175 nan 8.310 nan 0.000 0.465 425 V N 1.944 121.950 119.914 0.153 0.000 2.555 425 V HA 0.569 4.688 4.120 -0.001 0.000 0.302 425 V C -0.684 175.444 176.094 0.057 0.000 1.038 425 V CA -0.707 61.662 62.300 0.116 0.000 0.887 425 V CB 1.473 33.491 31.823 0.326 0.000 0.991 425 V HN 0.874 nan 8.190 nan 0.000 0.434 426 I N 3.651 124.201 120.570 -0.033 0.000 2.389 426 I HA 0.442 4.611 4.170 -0.001 0.000 0.288 426 I C -1.016 175.146 176.117 0.074 0.000 0.999 426 I CA -0.355 60.872 61.300 -0.122 0.000 1.129 426 I CB 1.865 39.676 38.000 -0.315 0.000 1.288 426 I HN 0.517 nan 8.210 nan 0.000 0.444 427 D N 5.331 125.800 120.400 0.115 0.000 2.408 427 D HA 0.203 4.842 4.640 -0.001 0.000 0.243 427 D C 0.834 177.293 176.300 0.265 0.000 1.075 427 D CA -0.676 53.495 54.000 0.285 0.000 0.832 427 D CB 1.749 42.744 40.800 0.326 0.000 1.162 427 D HN 0.715 nan 8.370 nan 0.000 0.515 428 C N 2.749 122.139 119.300 0.150 0.000 2.437 428 C HA 0.087 4.547 4.460 -0.001 0.000 0.283 428 C C 1.132 175.952 174.990 -0.283 0.000 1.424 428 C CA 0.221 58.987 59.018 -0.420 0.000 1.782 428 C CB -1.647 25.267 27.740 -1.377 0.000 1.833 428 C HN 0.871 nan 8.230 nan 0.000 0.532 429 N N 0.617 119.270 118.700 -0.078 0.000 2.778 429 N HA -0.173 4.566 4.740 -0.001 0.000 0.249 429 N C 0.068 175.531 175.510 -0.079 0.000 1.069 429 N CA 1.143 54.175 53.050 -0.029 0.000 0.831 429 N CB -1.665 36.844 38.487 0.036 0.000 1.142 429 N HN 0.939 nan 8.380 nan 0.000 0.573 430 T N -2.863 111.603 114.554 -0.146 0.000 2.926 430 T HA 0.845 5.195 4.350 -0.001 0.000 0.289 430 T C 0.135 174.810 174.700 -0.041 0.000 1.054 430 T CA -0.237 61.801 62.100 -0.104 0.000 1.015 430 T CB 2.538 71.316 68.868 -0.151 0.000 1.167 430 T HN 0.499 nan 8.240 nan 0.000 0.526 431 C N -0.494 118.804 119.300 -0.004 0.000 3.318 431 C HA 0.849 5.308 4.460 -0.001 0.000 0.322 431 C C -0.854 174.181 174.990 0.074 0.000 1.398 431 C CA -0.905 58.145 59.018 0.054 0.000 1.339 431 C CB 0.685 28.438 27.740 0.021 0.000 1.668 431 C HN 0.885 nan 8.230 nan 0.000 0.462 432 V N 1.551 121.525 119.914 0.100 0.000 2.394 432 V HA 0.725 4.844 4.120 -0.001 0.000 0.282 432 V C 0.416 176.548 176.094 0.065 0.000 1.031 432 V CA 0.449 62.809 62.300 0.099 0.000 0.881 432 V CB 1.293 33.184 31.823 0.113 0.000 0.982 432 V HN 1.127 nan 8.190 nan 0.000 0.451 433 T N 4.289 118.881 114.554 0.063 0.000 2.906 433 T HA 0.528 4.877 4.350 -0.001 0.000 0.295 433 T C -1.030 173.714 174.700 0.074 0.000 1.075 433 T CA -0.500 61.637 62.100 0.061 0.000 1.005 433 T CB 1.908 70.811 68.868 0.058 0.000 1.136 433 T HN 0.726 nan 8.240 nan 0.000 0.498 434 Q N 1.412 121.265 119.800 0.087 0.000 2.312 434 Q HA 0.620 4.960 4.340 -0.001 0.000 0.263 434 Q C -1.103 174.964 176.000 0.112 0.000 0.995 434 Q CA -0.801 55.072 55.803 0.116 0.000 0.853 434 Q CB 2.253 31.090 28.738 0.164 0.000 1.300 434 Q HN 0.590 nan 8.270 nan 0.000 0.448 435 T N 0.805 115.418 114.554 0.099 0.000 2.886 435 T HA 0.300 4.650 4.350 -0.001 0.000 0.292 435 T C -1.053 173.681 174.700 0.057 0.000 1.012 435 T CA -0.533 61.610 62.100 0.072 0.000 0.982 435 T CB 1.802 70.698 68.868 0.046 0.000 1.018 435 T HN 0.362 nan 8.240 nan 0.000 0.451 436 V N 2.613 122.541 119.914 0.025 0.000 2.546 436 V HA 0.526 4.646 4.120 -0.001 0.000 0.284 436 V C -0.778 175.171 176.094 -0.241 0.000 1.050 436 V CA -0.206 62.059 62.300 -0.059 0.000 0.981 436 V CB 1.424 33.218 31.823 -0.050 0.000 0.990 436 V HN 0.917 nan 8.190 nan 0.000 0.474 437 D N 4.889 125.169 120.400 -0.201 0.000 2.502 437 D HA 0.330 4.969 4.640 -0.001 0.000 0.249 437 D C -0.717 175.466 176.300 -0.194 0.000 1.092 437 D CA -0.372 53.504 54.000 -0.207 0.000 0.839 437 D CB 1.079 41.858 40.800 -0.034 0.000 1.264 437 D HN 0.407 nan 8.370 nan 0.000 0.511 438 F N 2.596 122.585 119.950 0.066 0.000 2.605 438 F HA 0.126 4.652 4.527 -0.001 0.000 0.352 438 F C 1.817 177.639 175.800 0.037 0.000 1.236 438 F CA -0.397 57.621 58.000 0.030 0.000 1.267 438 F CB 0.211 39.135 39.000 -0.126 0.000 1.632 438 F HN 0.309 nan 8.300 nan 0.000 0.639 439 S N 0.586 116.397 115.700 0.185 0.000 2.528 439 S HA 0.060 4.529 4.470 -0.001 0.000 0.219 439 S C 0.953 175.609 174.600 0.093 0.000 0.985 439 S CA -0.151 58.115 58.200 0.111 0.000 0.914 439 S CB -0.348 62.900 63.200 0.080 0.000 0.776 439 S HN 0.643 nan 8.310 nan 0.000 0.526 440 L N 1.512 122.803 121.223 0.114 0.000 3.843 440 L HA -0.178 4.161 4.340 -0.001 0.000 0.411 440 L C -0.873 176.024 176.870 0.044 0.000 1.205 440 L CA 0.787 55.672 54.840 0.075 0.000 0.945 440 L CB -2.129 39.962 42.059 0.052 0.000 1.929 440 L HN 0.545 nan 8.230 nan 0.000 0.934 441 D N -1.730 118.692 120.400 0.037 0.000 2.963 441 D HA 0.274 4.913 4.640 -0.001 0.000 0.361 441 D C -1.415 174.877 176.300 -0.013 0.000 1.317 441 D CA -1.240 52.768 54.000 0.012 0.000 0.832 441 D CB 0.387 41.196 40.800 0.015 0.000 1.135 441 D HN 0.175 nan 8.370 nan 0.000 0.476 442 P HA 0.036 nan 4.420 nan 0.000 0.259 442 P C 0.702 178.021 177.300 0.032 0.000 1.233 442 P CA 0.584 63.684 63.100 -0.000 0.000 0.827 442 P CB 1.048 32.739 31.700 -0.016 0.000 1.154 443 T N -2.189 112.387 114.554 0.037 0.000 3.216 443 T HA 0.391 4.740 4.350 -0.001 0.000 0.167 443 T C 0.340 175.197 174.700 0.261 0.000 0.905 443 T CA -0.144 62.035 62.100 0.132 0.000 1.042 443 T CB -0.320 68.616 68.868 0.114 0.000 1.787 443 T HN 0.036 nan 8.240 nan 0.000 0.355 444 F N 0.649 120.733 119.950 0.224 0.000 2.664 444 F HA 0.893 5.419 4.527 -0.001 0.000 0.329 444 F C -1.212 174.678 175.800 0.150 0.000 1.090 444 F CA -1.094 57.031 58.000 0.208 0.000 0.978 444 F CB 1.594 40.787 39.000 0.321 0.000 1.378 444 F HN 0.276 nan 8.300 nan 0.000 0.495 445 T N 2.920 117.648 114.554 0.290 0.000 2.886 445 T HA 0.549 4.898 4.350 -0.001 0.000 0.292 445 T C -1.007 173.817 174.700 0.207 0.000 1.012 445 T CA -0.445 61.745 62.100 0.150 0.000 0.982 445 T CB 1.590 70.507 68.868 0.082 0.000 1.018 445 T HN 0.447 nan 8.240 nan 0.000 0.451 446 I N 2.848 123.498 120.570 0.133 0.000 2.339 446 I HA 0.450 4.620 4.170 -0.001 0.000 0.290 446 I C 0.322 176.490 176.117 0.084 0.000 0.994 446 I CA -0.657 60.697 61.300 0.089 0.000 1.191 446 I CB 1.319 39.281 38.000 -0.064 0.000 1.343 446 I HN 0.728 nan 8.210 nan 0.000 0.458 447 E N 3.971 124.226 120.200 0.092 0.000 2.199 447 E HA 0.517 4.866 4.350 -0.001 0.000 0.269 447 E C -1.102 175.552 176.600 0.091 0.000 0.899 447 E CA -0.456 55.993 56.400 0.081 0.000 0.772 447 E CB 1.656 31.393 29.700 0.062 0.000 1.155 447 E HN 0.535 nan 8.360 nan 0.000 0.408 448 T N 2.907 117.513 114.554 0.085 0.000 2.794 448 T HA 0.501 4.850 4.350 -0.001 0.000 0.280 448 T C -0.644 174.098 174.700 0.069 0.000 0.987 448 T CA -0.632 61.518 62.100 0.084 0.000 0.993 448 T CB 1.228 70.146 68.868 0.084 0.000 0.939 448 T HN 0.583 nan 8.240 nan 0.000 0.449 449 T N -0.510 114.084 114.554 0.065 0.000 2.903 449 T HA 0.589 4.938 4.350 -0.001 0.000 0.299 449 T C -0.496 174.234 174.700 0.050 0.000 1.093 449 T CA -0.846 61.286 62.100 0.052 0.000 1.002 449 T CB 1.614 70.507 68.868 0.042 0.000 1.127 449 T HN 0.306 nan 8.240 nan 0.000 0.488 450 T N 2.175 116.745 114.554 0.028 0.000 2.744 450 T HA 0.634 4.983 4.350 -0.001 0.000 0.291 450 T C 0.173 174.860 174.700 -0.021 0.000 0.957 450 T CA -0.476 61.618 62.100 -0.009 0.000 1.002 450 T CB 0.550 69.357 68.868 -0.101 0.000 0.919 450 T HN 1.017 nan 8.240 nan 0.000 0.468 451 V N 2.131 122.036 119.914 -0.014 0.000 3.040 451 V HA 0.769 4.889 4.120 -0.001 0.000 0.312 451 V C -3.041 173.042 176.094 -0.019 0.000 1.115 451 V CA -3.378 58.917 62.300 -0.009 0.000 0.998 451 V CB 1.641 33.470 31.823 0.010 0.000 1.042 451 V HN 0.443 nan 8.190 nan 0.000 0.433 452 P HA 0.134 nan 4.420 nan 0.000 0.265 452 P C -0.500 176.792 177.300 -0.012 0.000 1.187 452 P CA 0.173 63.264 63.100 -0.015 0.000 0.766 452 P CB 0.202 31.899 31.700 -0.005 0.000 0.820 453 Q N 2.666 122.454 119.800 -0.020 0.000 2.392 453 Q HA 0.106 4.446 4.340 -0.001 0.000 0.262 453 Q C -0.036 175.954 176.000 -0.016 0.000 1.003 453 Q CA -0.428 55.362 55.803 -0.022 0.000 0.888 453 Q CB 0.435 29.151 28.738 -0.037 0.000 1.260 453 Q HN 0.432 nan 8.270 nan 0.000 0.435 454 D N 1.616 122.010 120.400 -0.010 0.000 2.478 454 D HA 0.177 4.816 4.640 -0.001 0.000 0.269 454 D C 0.423 176.710 176.300 -0.022 0.000 1.232 454 D CA -0.023 53.975 54.000 -0.002 0.000 1.059 454 D CB 0.558 41.373 40.800 0.024 0.000 1.104 454 D HN 0.627 nan 8.370 nan 0.000 0.566 455 A N -0.191 122.620 122.820 -0.015 0.000 2.066 455 A HA 0.013 4.332 4.320 -0.001 0.000 0.218 455 A C 2.279 179.825 177.584 -0.064 0.000 1.157 455 A CA 0.942 52.955 52.037 -0.039 0.000 0.670 455 A CB -0.657 18.331 19.000 -0.020 0.000 0.804 455 A HN 0.359 nan 8.150 nan 0.000 0.453 456 V N -0.635 119.251 119.914 -0.046 0.000 2.323 456 V HA -0.188 3.932 4.120 -0.001 0.000 0.244 456 V C 2.824 178.848 176.094 -0.118 0.000 1.041 456 V CA 2.232 64.481 62.300 -0.085 0.000 1.025 456 V CB -0.601 31.212 31.823 -0.018 0.000 0.656 456 V HN 0.670 nan 8.190 nan 0.000 0.451 457 S N -0.350 115.301 115.700 -0.083 0.000 2.359 457 S HA -0.287 4.182 4.470 -0.001 0.000 0.224 457 S C 2.218 176.723 174.600 -0.159 0.000 1.035 457 S CA 2.159 60.289 58.200 -0.118 0.000 1.018 457 S CB -0.335 62.811 63.200 -0.089 0.000 0.876 457 S HN 0.513 nan 8.310 nan 0.000 0.448 458 R N 0.188 120.612 120.500 -0.127 0.000 2.080 458 R HA -0.057 4.283 4.340 -0.001 0.000 0.236 458 R C 2.508 178.665 176.300 -0.239 0.000 1.137 458 R CA 2.020 58.031 56.100 -0.149 0.000 0.943 458 R CB -0.593 29.631 30.300 -0.127 0.000 0.846 458 R HN 0.423 nan 8.270 nan 0.000 0.431 459 S N 0.171 115.749 115.700 -0.203 0.000 2.402 459 S HA -0.081 4.388 4.470 -0.001 0.000 0.229 459 S C 1.765 176.251 174.600 -0.190 0.000 1.021 459 S CA 0.776 58.854 58.200 -0.203 0.000 0.974 459 S CB -0.004 63.106 63.200 -0.149 0.000 0.800 459 S HN 0.344 nan 8.310 nan 0.000 0.484 460 Q N 1.081 120.766 119.800 -0.192 0.000 2.062 460 Q HA 0.107 4.446 4.340 -0.001 0.000 0.196 460 Q C 2.322 178.254 176.000 -0.113 0.000 0.967 460 Q CA 0.944 56.655 55.803 -0.154 0.000 0.832 460 Q CB -0.307 28.329 28.738 -0.170 0.000 0.899 460 Q HN 0.485 nan 8.270 nan 0.000 0.442 461 R N 0.478 120.847 120.500 -0.219 0.000 2.083 461 R HA -0.102 4.237 4.340 -0.001 0.000 0.237 461 R C 2.428 178.761 176.300 0.056 0.000 1.137 461 R CA 1.363 57.302 56.100 -0.269 0.000 0.951 461 R CB -0.308 29.624 30.300 -0.613 0.000 0.851 461 R HN 0.148 nan 8.270 nan 0.000 0.434 462 R N 0.434 120.843 120.500 -0.152 0.000 2.091 462 R HA -0.129 4.211 4.340 -0.001 0.000 0.238 462 R C 2.095 178.329 176.300 -0.110 0.000 1.136 462 R CA 1.863 57.777 56.100 -0.310 0.000 0.959 462 R CB -0.572 29.241 30.300 -0.812 0.000 0.856 462 R HN 0.339 nan 8.270 nan 0.000 0.437 463 G N -0.027 108.706 108.800 -0.112 0.000 2.708 463 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.210 463 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.210 463 G C 1.072 175.984 174.900 0.020 0.000 1.141 463 G CA -0.013 45.033 45.100 -0.090 0.000 0.788 463 G HN 0.222 nan 8.290 nan 0.000 0.531 464 R N -0.329 120.250 120.500 0.133 0.000 2.237 464 R HA 0.097 4.436 4.340 -0.001 0.000 0.219 464 R C 1.395 177.835 176.300 0.233 0.000 1.080 464 R CA 0.282 56.526 56.100 0.240 0.000 0.995 464 R CB -0.711 29.801 30.300 0.353 0.000 0.875 464 R HN 0.327 nan 8.270 nan 0.000 0.462 465 T N -2.500 112.138 114.554 0.141 0.000 2.938 465 T HA 0.492 4.841 4.350 -0.001 0.000 0.285 465 T C 0.264 174.956 174.700 -0.012 0.000 1.028 465 T CA -0.140 62.029 62.100 0.116 0.000 1.005 465 T CB 1.168 70.126 68.868 0.150 0.000 1.157 465 T HN 0.340 nan 8.240 nan 0.000 0.550 466 G N 2.257 111.052 108.800 -0.009 0.000 2.295 466 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.287 466 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.287 466 G C -0.114 174.755 174.900 -0.052 0.000 1.055 466 G CA 0.177 45.243 45.100 -0.057 0.000 0.922 466 G HN 0.750 nan 8.290 nan 0.000 0.503 467 R N -0.301 120.188 120.500 -0.019 0.000 2.278 467 R HA 0.506 4.845 4.340 -0.001 0.000 0.322 467 R C 1.380 177.678 176.300 -0.002 0.000 1.058 467 R CA 0.000 56.094 56.100 -0.010 0.000 0.991 467 R CB 1.034 31.308 30.300 -0.043 0.000 1.140 467 R HN 1.177 nan 8.270 nan 0.000 0.518 468 G N 2.655 111.475 108.800 0.034 0.000 2.184 468 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.264 468 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.264 468 G C 0.133 175.050 174.900 0.028 0.000 0.975 468 G CA 0.817 45.937 45.100 0.034 0.000 0.642 468 G HN 0.625 nan 8.290 nan 0.000 0.536 469 R N -1.962 118.554 120.500 0.027 0.000 2.747 469 R HA 0.719 5.058 4.340 -0.001 0.000 0.272 469 R C -0.357 175.965 176.300 0.037 0.000 1.032 469 R CA -1.293 54.823 56.100 0.026 0.000 0.896 469 R CB 0.686 30.991 30.300 0.009 0.000 1.253 469 R HN 0.017 nan 8.270 nan 0.000 0.461 470 R N -0.022 120.501 120.500 0.039 0.000 2.679 470 R HA 0.406 4.745 4.340 -0.001 0.000 0.268 470 R C 0.152 176.481 176.300 0.047 0.000 1.044 470 R CA 0.646 56.776 56.100 0.049 0.000 1.105 470 R CB 0.882 31.210 30.300 0.046 0.000 0.989 470 R HN 0.844 nan 8.270 nan 0.000 0.447 471 G N 0.676 109.511 108.800 0.059 0.000 2.682 471 G HA2 0.607 4.566 3.960 -0.001 0.000 0.290 471 G HA3 0.607 4.566 3.960 -0.001 0.000 0.290 471 G C -1.146 173.815 174.900 0.101 0.000 1.425 471 G CA -0.712 44.433 45.100 0.075 0.000 0.807 471 G HN 0.384 nan 8.290 nan 0.000 0.482 472 I N 0.330 120.978 120.570 0.129 0.000 2.433 472 I HA 0.337 4.506 4.170 -0.001 0.000 0.292 472 I C -1.439 174.804 176.117 0.210 0.000 1.001 472 I CA -0.889 60.499 61.300 0.147 0.000 1.119 472 I CB 2.316 40.380 38.000 0.107 0.000 1.289 472 I HN 0.528 nan 8.210 nan 0.000 0.438 473 Y N 6.725 127.085 120.300 0.100 0.000 2.334 473 Y HA 0.523 5.072 4.550 -0.001 0.000 0.336 473 Y C -0.598 175.406 175.900 0.173 0.000 0.960 473 Y CA -0.692 57.490 58.100 0.137 0.000 1.164 473 Y CB 0.753 39.300 38.460 0.146 0.000 1.155 473 Y HN 0.448 nan 8.280 nan 0.000 0.478 474 R N 6.611 126.911 120.500 -0.334 0.000 2.460 474 R HA 0.578 4.917 4.340 -0.001 0.000 0.303 474 R C -1.513 174.481 176.300 -0.511 0.000 0.968 474 R CA -0.768 55.104 56.100 -0.381 0.000 0.889 474 R CB 1.483 31.622 30.300 -0.269 0.000 1.123 474 R HN 0.668 nan 8.270 nan 0.000 0.455 475 F N -1.782 117.934 119.950 -0.390 0.000 2.613 475 F HA 0.458 4.984 4.527 -0.001 0.000 0.314 475 F C 0.249 176.022 175.800 -0.045 0.000 1.075 475 F CA -1.250 56.592 58.000 -0.263 0.000 0.945 475 F CB 0.534 39.391 39.000 -0.237 0.000 1.310 475 F HN 0.098 nan 8.300 nan 0.000 0.467 476 V N -0.139 119.917 119.914 0.237 0.000 2.446 476 V HA 0.076 4.195 4.120 -0.001 0.000 0.244 476 V C 0.695 176.933 176.094 0.239 0.000 1.039 476 V CA 1.923 64.330 62.300 0.179 0.000 1.045 476 V CB 0.142 32.048 31.823 0.139 0.000 0.681 476 V HN 0.944 nan 8.190 nan 0.000 0.459 477 T N -1.782 112.980 114.554 0.347 0.000 2.909 477 T HA 0.410 4.759 4.350 -0.001 0.000 0.299 477 T C -2.397 172.450 174.700 0.246 0.000 1.073 477 T CA -1.393 60.879 62.100 0.287 0.000 0.999 477 T CB 2.057 71.004 68.868 0.131 0.000 1.098 477 T HN -0.044 nan 8.240 nan 0.000 0.477 478 P HA 0.170 nan 4.420 nan 0.000 0.219 478 P C 0.853 178.097 177.300 -0.093 0.000 1.150 478 P CA 0.376 63.444 63.100 -0.054 0.000 0.814 478 P CB -0.226 31.511 31.700 0.061 0.000 0.787 479 G N 0.630 109.418 108.800 -0.021 0.000 2.667 479 G HA2 0.337 4.296 3.960 -0.001 0.000 0.250 479 G HA3 0.337 4.296 3.960 -0.001 0.000 0.250 479 G C -0.545 174.334 174.900 -0.037 0.000 1.212 479 G CA -0.291 44.794 45.100 -0.024 0.000 0.874 479 G HN 0.258 nan 8.290 nan 0.000 0.561 480 E N -0.220 119.963 120.200 -0.029 0.000 2.335 480 E HA 0.376 4.725 4.350 -0.001 0.000 0.280 480 E C -0.697 175.894 176.600 -0.014 0.000 0.918 480 E CA -0.977 55.407 56.400 -0.027 0.000 0.765 480 E CB 1.771 31.446 29.700 -0.041 0.000 1.218 480 E HN 0.398 nan 8.360 nan 0.000 0.425 481 R N 2.150 122.645 120.500 -0.009 0.000 2.679 481 R HA 0.255 4.595 4.340 -0.001 0.000 0.269 481 R C -2.155 174.144 176.300 -0.001 0.000 1.076 481 R CA -1.413 54.684 56.100 -0.005 0.000 1.160 481 R CB 0.125 30.426 30.300 0.002 0.000 1.054 481 R HN 0.390 nan 8.270 nan 0.000 0.507 482 P HA -0.030 nan 4.420 nan 0.000 0.269 482 P C -0.653 176.694 177.300 0.079 0.000 1.209 482 P CA 0.145 63.247 63.100 0.003 0.000 0.776 482 P CB 0.833 32.450 31.700 -0.138 0.000 0.876 483 S N 0.681 116.470 115.700 0.148 0.000 2.745 483 S HA 0.664 5.133 4.470 -0.001 0.000 0.292 483 S C 0.984 175.716 174.600 0.220 0.000 1.133 483 S CA 0.025 58.312 58.200 0.145 0.000 0.998 483 S CB 0.939 64.194 63.200 0.091 0.000 1.087 483 S HN 0.862 nan 8.310 nan 0.000 0.551 484 G N -0.244 108.660 108.800 0.174 0.000 2.175 484 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.244 484 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.244 484 G C -0.249 174.770 174.900 0.199 0.000 0.982 484 G CA 0.274 45.470 45.100 0.159 0.000 0.641 484 G HN 0.710 nan 8.290 nan 0.000 0.527 485 M N -0.293 119.441 119.600 0.223 0.000 2.602 485 M HA 0.789 5.268 4.480 -0.001 0.000 0.312 485 M C -0.246 176.198 176.300 0.240 0.000 1.181 485 M CA -1.138 54.263 55.300 0.168 0.000 0.910 485 M CB 2.092 34.769 32.600 0.128 0.000 1.723 485 M HN 0.389 nan 8.290 nan 0.000 0.459 486 F N -1.602 118.380 119.950 0.053 0.000 2.643 486 F HA 0.762 5.288 4.527 -0.001 0.000 0.314 486 F C -1.041 174.776 175.800 0.029 0.000 1.096 486 F CA -1.273 56.746 58.000 0.032 0.000 0.953 486 F CB 0.857 39.863 39.000 0.010 0.000 1.345 486 F HN 0.477 nan 8.300 nan 0.000 0.468 487 D N 0.254 120.780 120.400 0.211 0.000 2.312 487 D HA 0.233 4.873 4.640 -0.001 0.000 0.248 487 D C 1.123 177.519 176.300 0.160 0.000 1.086 487 D CA 0.038 54.103 54.000 0.109 0.000 0.948 487 D CB 2.012 42.887 40.800 0.124 0.000 1.162 487 D HN 0.678 nan 8.370 nan 0.000 0.446 488 S N 0.675 116.477 115.700 0.169 0.000 2.400 488 S HA -0.194 4.275 4.470 -0.001 0.000 0.232 488 S C 1.877 176.688 174.600 0.353 0.000 1.025 488 S CA 1.833 60.255 58.200 0.370 0.000 0.993 488 S CB -0.484 63.116 63.200 0.666 0.000 0.808 488 S HN 0.557 nan 8.310 nan 0.000 0.478 489 S N 0.690 116.534 115.700 0.239 0.000 2.419 489 S HA -0.073 4.396 4.470 -0.001 0.000 0.235 489 S C 1.747 176.393 174.600 0.076 0.000 1.019 489 S CA 1.286 59.564 58.200 0.131 0.000 0.982 489 S CB -0.868 62.449 63.200 0.194 0.000 0.789 489 S HN 0.385 nan 8.310 nan 0.000 0.490 490 V N 2.280 122.271 119.914 0.128 0.000 2.407 490 V HA -0.123 3.997 4.120 -0.001 0.000 0.248 490 V C 2.507 178.590 176.094 -0.019 0.000 1.055 490 V CA 1.659 63.989 62.300 0.050 0.000 1.049 490 V CB -0.938 30.949 31.823 0.106 0.000 0.662 490 V HN 0.486 nan 8.190 nan 0.000 0.455 491 L N -0.550 120.708 121.223 0.057 0.000 2.046 491 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 491 L C 2.734 179.476 176.870 -0.212 0.000 1.077 491 L CA 1.757 56.610 54.840 0.021 0.000 0.747 491 L CB -0.907 41.309 42.059 0.261 0.000 0.896 491 L HN 0.489 nan 8.230 nan 0.000 0.432 492 C N 0.625 119.503 119.300 -0.704 0.000 2.413 492 C HA -0.183 4.276 4.460 -0.001 0.000 0.276 492 C C 2.673 177.565 174.990 -0.163 0.000 1.236 492 C CA 1.243 59.739 59.018 -0.871 0.000 1.735 492 C CB -0.661 26.286 27.740 -1.322 0.000 2.031 492 C HN 0.508 nan 8.230 nan 0.000 0.474 493 E N -0.706 119.465 120.200 -0.048 0.000 2.118 493 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 493 E C 2.248 178.737 176.600 -0.184 0.000 0.992 493 E CA 1.715 58.029 56.400 -0.143 0.000 0.804 493 E CB -0.205 29.318 29.700 -0.295 0.000 0.741 493 E HN 0.771 nan 8.360 nan 0.000 0.458 494 C N 0.034 119.204 119.300 -0.217 0.000 2.432 494 C HA -0.139 4.321 4.460 -0.001 0.000 0.277 494 C C 2.396 177.149 174.990 -0.395 0.000 1.249 494 C CA 0.504 59.351 59.018 -0.285 0.000 1.725 494 C CB -1.047 26.483 27.740 -0.350 0.000 2.028 494 C HN 0.469 nan 8.230 nan 0.000 0.477 495 Y N 0.715 120.723 120.300 -0.487 0.000 2.200 495 Y HA -0.174 4.376 4.550 -0.001 0.000 0.290 495 Y C 2.468 177.810 175.900 -0.929 0.000 1.137 495 Y CA 1.902 59.529 58.100 -0.788 0.000 1.163 495 Y CB -0.552 37.171 38.460 -1.228 0.000 0.988 495 Y HN 0.380 nan 8.280 nan 0.000 0.518 496 D N 0.082 120.088 120.400 -0.656 0.000 2.104 496 D HA -0.200 4.439 4.640 -0.001 0.000 0.194 496 D C 2.221 178.484 176.300 -0.062 0.000 0.994 496 D CA 1.423 55.330 54.000 -0.155 0.000 0.830 496 D CB -0.011 40.950 40.800 0.267 0.000 0.959 496 D HN 0.343 nan 8.370 nan 0.000 0.452 497 A N 0.540 123.332 122.820 -0.047 0.000 1.930 497 A HA 0.016 4.336 4.320 -0.001 0.000 0.217 497 A C 2.395 180.003 177.584 0.039 0.000 1.175 497 A CA 1.954 54.040 52.037 0.081 0.000 0.627 497 A CB -1.044 18.041 19.000 0.142 0.000 0.815 497 A HN 0.367 nan 8.150 nan 0.000 0.443 498 G N -0.731 108.060 108.800 -0.015 0.000 2.446 498 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.217 498 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.217 498 G C 1.583 176.447 174.900 -0.059 0.000 1.168 498 G CA 1.417 46.524 45.100 0.012 0.000 0.771 498 G HN 0.522 nan 8.290 nan 0.000 0.551 499 C N 0.582 119.761 119.300 -0.202 0.000 2.466 499 C HA 0.334 4.793 4.460 -0.001 0.000 0.278 499 C C 3.514 178.433 174.990 -0.118 0.000 1.288 499 C CA 0.775 59.620 59.018 -0.288 0.000 1.722 499 C CB -0.771 26.444 27.740 -0.875 0.000 2.017 499 C HN 0.558 nan 8.230 nan 0.000 0.488 500 A N -1.316 121.455 122.820 -0.082 0.000 1.898 500 A HA -0.055 4.265 4.320 -0.001 0.000 0.214 500 A C 1.728 179.069 177.584 -0.405 0.000 1.183 500 A CA 1.097 53.053 52.037 -0.136 0.000 0.622 500 A CB -0.496 18.389 19.000 -0.193 0.000 0.824 500 A HN 0.771 nan 8.150 nan 0.000 0.444 501 W N -3.540 117.571 121.300 -0.315 0.000 2.968 501 W HA 0.263 4.923 4.660 -0.001 0.000 0.253 501 W C 0.832 177.049 176.519 -0.504 0.000 1.150 501 W CA 0.017 57.026 57.345 -0.561 0.000 1.463 501 W CB 0.440 29.228 29.460 -1.120 0.000 0.906 501 W HN 0.302 nan 8.180 nan 0.000 0.650 502 Y N 0.517 120.926 120.300 0.181 0.000 2.612 502 Y HA 0.226 4.775 4.550 -0.001 0.000 0.250 502 Y C 0.281 176.196 175.900 0.024 0.000 1.175 502 Y CA -1.054 57.096 58.100 0.083 0.000 1.205 502 Y CB -0.740 37.740 38.460 0.032 0.000 1.201 502 Y HN -0.045 nan 8.280 nan 0.000 0.532 503 E N 0.591 120.857 120.200 0.110 0.000 2.403 503 E HA -0.226 4.123 4.350 -0.001 0.000 0.241 503 E C -0.831 175.797 176.600 0.046 0.000 1.201 503 E CA 0.270 56.706 56.400 0.060 0.000 0.721 503 E CB -1.650 28.085 29.700 0.059 0.000 1.245 503 E HN 0.431 nan 8.360 nan 0.000 0.392 504 L N 1.095 122.343 121.223 0.042 0.000 2.289 504 L HA 0.283 4.623 4.340 -0.001 0.000 0.285 504 L C 1.269 178.129 176.870 -0.016 0.000 1.049 504 L CA -0.612 54.233 54.840 0.007 0.000 0.804 504 L CB 0.999 43.054 42.059 -0.007 0.000 1.195 504 L HN 0.062 nan 8.230 nan 0.000 0.428 505 T N -0.325 114.228 114.554 -0.002 0.000 2.900 505 T HA 0.143 4.492 4.350 -0.001 0.000 0.307 505 T C -1.834 172.884 174.700 0.031 0.000 1.065 505 T CA -1.394 60.712 62.100 0.010 0.000 1.105 505 T CB 0.999 69.880 68.868 0.022 0.000 0.979 505 T HN 0.351 nan 8.240 nan 0.000 0.544 506 P HA -0.100 nan 4.420 nan 0.000 0.216 506 P C 1.680 179.108 177.300 0.213 0.000 1.150 506 P CA 1.626 64.856 63.100 0.217 0.000 0.843 506 P CB -0.300 31.526 31.700 0.209 0.000 0.787 507 A N -0.399 122.495 122.820 0.123 0.000 1.902 507 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 507 A C 2.264 179.888 177.584 0.067 0.000 1.181 507 A CA 1.890 53.987 52.037 0.099 0.000 0.623 507 A CB -1.302 17.737 19.000 0.065 0.000 0.818 507 A HN 0.153 nan 8.150 nan 0.000 0.443 508 E N -1.050 119.171 120.200 0.034 0.000 2.077 508 E HA -0.124 4.225 4.350 -0.001 0.000 0.193 508 E C 2.086 178.664 176.600 -0.036 0.000 0.989 508 E CA 1.687 58.087 56.400 -0.001 0.000 0.800 508 E CB -0.140 29.554 29.700 -0.010 0.000 0.746 508 E HN 0.587 nan 8.360 nan 0.000 0.452 509 T N -0.196 114.313 114.554 -0.075 0.000 2.788 509 T HA -0.117 4.233 4.350 -0.001 0.000 0.268 509 T C 2.001 176.581 174.700 -0.199 0.000 1.044 509 T CA 1.249 63.209 62.100 -0.234 0.000 1.139 509 T CB -0.183 68.382 68.868 -0.504 0.000 0.867 509 T HN 0.057 nan 8.240 nan 0.000 0.454 510 S N 0.834 116.535 115.700 0.001 0.000 2.368 510 S HA -0.087 4.383 4.470 -0.001 0.000 0.225 510 S C 2.301 176.937 174.600 0.059 0.000 1.030 510 S CA 0.760 59.031 58.200 0.117 0.000 0.999 510 S CB -0.478 62.858 63.200 0.227 0.000 0.844 510 S HN 0.281 nan 8.310 nan 0.000 0.459 511 V N 2.040 121.974 119.914 0.034 0.000 2.332 511 V HA -0.223 3.896 4.120 -0.001 0.000 0.248 511 V C 2.436 178.540 176.094 0.016 0.000 1.055 511 V CA 1.775 64.090 62.300 0.025 0.000 1.038 511 V CB -0.622 31.208 31.823 0.012 0.000 0.651 511 V HN 0.401 nan 8.190 nan 0.000 0.450 512 R N -0.307 120.185 120.500 -0.013 0.000 2.066 512 R HA -0.053 4.287 4.340 -0.001 0.000 0.232 512 R C 2.307 178.617 176.300 0.017 0.000 1.131 512 R CA 1.359 57.453 56.100 -0.011 0.000 0.955 512 R CB -0.463 29.806 30.300 -0.053 0.000 0.851 512 R HN 0.399 nan 8.270 nan 0.000 0.432 513 L N 0.333 121.544 121.223 -0.020 0.000 2.083 513 L HA -0.146 4.193 4.340 -0.001 0.000 0.209 513 L C 2.658 179.600 176.870 0.120 0.000 1.083 513 L CA 1.033 55.889 54.840 0.027 0.000 0.752 513 L CB -0.393 41.655 42.059 -0.019 0.000 0.899 513 L HN 0.092 nan 8.230 nan 0.000 0.433 514 R N 1.019 121.577 120.500 0.097 0.000 2.091 514 R HA -0.150 4.189 4.340 -0.001 0.000 0.238 514 R C 2.235 178.595 176.300 0.099 0.000 1.136 514 R CA 1.803 57.963 56.100 0.101 0.000 0.959 514 R CB -0.758 29.589 30.300 0.078 0.000 0.856 514 R HN 0.311 nan 8.270 nan 0.000 0.437 515 A N -0.688 122.183 122.820 0.086 0.000 1.908 515 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 515 A C 2.189 179.833 177.584 0.101 0.000 1.181 515 A CA 1.599 53.681 52.037 0.074 0.000 0.627 515 A CB -0.990 18.044 19.000 0.056 0.000 0.818 515 A HN 0.571 nan 8.150 nan 0.000 0.445 516 Y N -0.126 120.185 120.300 0.018 0.000 2.114 516 Y HA -0.159 4.390 4.550 -0.001 0.000 0.284 516 Y C 1.944 177.875 175.900 0.051 0.000 1.143 516 Y CA 1.899 60.014 58.100 0.026 0.000 1.135 516 Y CB -0.335 38.135 38.460 0.017 0.000 0.980 516 Y HN 0.203 nan 8.280 nan 0.000 0.499 517 L N 0.702 122.116 121.223 0.318 0.000 2.191 517 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 517 L C 1.607 178.528 176.870 0.086 0.000 1.103 517 L CA 1.474 56.444 54.840 0.217 0.000 0.769 517 L CB -0.780 41.384 42.059 0.175 0.000 0.908 517 L HN 0.268 nan 8.230 nan 0.000 0.438 518 N N -1.643 117.092 118.700 0.059 0.000 2.398 518 N HA 0.021 4.760 4.740 -0.001 0.000 0.188 518 N C 0.033 175.542 175.510 -0.001 0.000 1.122 518 N CA 0.261 53.326 53.050 0.025 0.000 0.866 518 N CB 0.148 38.652 38.487 0.028 0.000 0.970 518 N HN 0.194 nan 8.380 nan 0.000 0.462 519 T N 3.536 118.069 114.554 -0.034 0.000 2.733 519 T HA 0.291 4.641 4.350 -0.001 0.000 0.294 519 T C -2.403 172.268 174.700 -0.048 0.000 0.956 519 T CA -1.244 60.823 62.100 -0.054 0.000 0.987 519 T CB 2.056 70.854 68.868 -0.116 0.000 0.920 519 T HN 0.050 nan 8.240 nan 0.000 0.470 520 P HA 0.296 nan 4.420 nan 0.000 0.271 520 P C 0.916 178.245 177.300 0.050 0.000 1.218 520 P CA 0.166 63.268 63.100 0.002 0.000 0.780 520 P CB 0.623 32.323 31.700 -0.000 0.000 0.901 521 G N 0.595 109.394 108.800 -0.002 0.000 2.175 521 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.244 521 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.244 521 G C -0.156 174.802 174.900 0.097 0.000 0.982 521 G CA -0.193 44.908 45.100 0.002 0.000 0.641 521 G HN 0.459 nan 8.290 nan 0.000 0.527 522 L N 0.626 121.864 121.223 0.024 0.000 2.358 522 L HA 0.549 4.888 4.340 -0.001 0.000 0.268 522 L C -1.804 175.115 176.870 0.081 0.000 1.032 522 L CA -2.549 52.283 54.840 -0.013 0.000 0.805 522 L CB 1.340 43.209 42.059 -0.315 0.000 1.253 522 L HN -0.164 nan 8.230 nan 0.000 0.452 523 P HA -0.016 nan 4.420 nan 0.000 0.267 523 P C -1.042 176.498 177.300 0.400 0.000 1.201 523 P CA -0.064 63.227 63.100 0.318 0.000 0.775 523 P CB 0.446 32.412 31.700 0.443 0.000 0.854 524 V N 0.207 120.240 119.914 0.200 0.000 2.881 524 V HA 0.796 4.915 4.120 -0.001 0.000 0.316 524 V C -0.552 175.311 176.094 -0.385 0.000 1.070 524 V CA -0.769 61.537 62.300 0.009 0.000 0.976 524 V CB 1.819 33.626 31.823 -0.027 0.000 1.038 524 V HN 0.754 nan 8.190 nan 0.000 0.446 525 C N 2.353 121.367 119.300 -0.477 0.000 3.086 525 C HA 0.517 4.977 4.460 -0.001 0.000 0.311 525 C C -0.392 174.372 174.990 -0.376 0.000 1.260 525 C CA -0.362 58.225 59.018 -0.719 0.000 1.426 525 C CB 1.936 28.926 27.740 -1.250 0.000 1.826 525 C HN 1.061 nan 8.230 nan 0.000 0.474 526 Q N 2.479 122.052 119.800 -0.380 0.000 2.333 526 Q HA 0.052 4.391 4.340 -0.001 0.000 0.299 526 Q C -0.228 175.529 176.000 -0.405 0.000 1.067 526 Q CA 0.809 56.360 55.803 -0.420 0.000 0.943 526 Q CB 0.525 28.894 28.738 -0.615 0.000 1.233 526 Q HN 0.722 nan 8.270 nan 0.000 0.401 527 D N 2.096 122.351 120.400 -0.241 0.000 2.483 527 D HA 0.020 4.660 4.640 -0.001 0.000 0.220 527 D C -0.218 176.140 176.300 0.097 0.000 1.173 527 D CA 0.052 54.026 54.000 -0.043 0.000 0.964 527 D CB -0.294 40.511 40.800 0.009 0.000 1.046 527 D HN 0.443 nan 8.370 nan 0.000 0.517 528 H N 2.813 121.983 119.070 0.165 0.000 2.469 528 H HA 0.087 4.643 4.556 -0.001 0.000 0.286 528 H C 1.204 176.692 175.328 0.265 0.000 1.106 528 H CA -0.672 55.474 56.048 0.164 0.000 1.055 528 H CB 0.926 30.806 29.762 0.198 0.000 1.618 528 H HN 0.223 nan 8.280 nan 0.000 0.559 529 L N 0.785 122.224 121.223 0.359 0.000 2.017 529 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 529 L C 2.403 179.405 176.870 0.219 0.000 1.073 529 L CA 1.702 56.760 54.840 0.364 0.000 0.745 529 L CB -0.524 41.712 42.059 0.295 0.000 0.894 529 L HN 0.316 nan 8.230 nan 0.000 0.432 530 E N -1.052 119.236 120.200 0.147 0.000 2.077 530 E HA -0.259 4.091 4.350 -0.001 0.000 0.193 530 E C 2.084 178.685 176.600 0.002 0.000 0.989 530 E CA 1.084 57.526 56.400 0.070 0.000 0.800 530 E CB -0.374 29.360 29.700 0.056 0.000 0.746 530 E HN 0.344 nan 8.360 nan 0.000 0.452 531 F N -0.727 119.128 119.950 -0.157 0.000 2.046 531 F HA -0.185 4.342 4.527 -0.001 0.000 0.297 531 F C 1.796 177.407 175.800 -0.316 0.000 1.123 531 F CA 1.894 59.691 58.000 -0.338 0.000 1.199 531 F CB -0.863 37.768 39.000 -0.615 0.000 0.972 531 F HN 0.104 nan 8.300 nan 0.000 0.474 532 W N 0.931 121.976 121.300 -0.426 0.000 2.338 532 W HA -0.169 4.490 4.660 -0.001 0.000 0.304 532 W C 2.683 178.761 176.519 -0.735 0.000 1.212 532 W CA 1.321 58.283 57.345 -0.639 0.000 1.264 532 W CB -0.582 28.612 29.460 -0.443 0.000 1.142 532 W HN 0.176 nan 8.180 nan 0.000 0.512 533 E N 0.705 120.596 120.200 -0.515 0.000 2.085 533 E HA -0.267 4.082 4.350 -0.001 0.000 0.194 533 E C 2.324 178.863 176.600 -0.101 0.000 0.994 533 E CA 2.031 58.240 56.400 -0.319 0.000 0.801 533 E CB -0.283 29.401 29.700 -0.027 0.000 0.743 533 E HN 0.226 nan 8.360 nan 0.000 0.453 534 S N -0.124 115.490 115.700 -0.143 0.000 2.370 534 S HA -0.145 4.324 4.470 -0.001 0.000 0.226 534 S C 2.125 176.711 174.600 -0.024 0.000 1.033 534 S CA 1.425 59.580 58.200 -0.074 0.000 1.011 534 S CB -0.656 62.461 63.200 -0.139 0.000 0.852 534 S HN 0.169 nan 8.310 nan 0.000 0.457 535 V N 0.932 120.715 119.914 -0.219 0.000 2.261 535 V HA -0.107 4.013 4.120 -0.001 0.000 0.246 535 V C 2.322 178.417 176.094 0.003 0.000 1.047 535 V CA 2.131 64.359 62.300 -0.120 0.000 1.015 535 V CB -1.046 30.585 31.823 -0.320 0.000 0.642 535 V HN 0.510 nan 8.190 nan 0.000 0.446 536 F N 0.409 120.337 119.950 -0.036 0.000 2.234 536 F HA -0.144 4.382 4.527 -0.001 0.000 0.299 536 F C 2.560 178.340 175.800 -0.033 0.000 1.087 536 F CA 1.657 59.642 58.000 -0.025 0.000 1.340 536 F CB -0.914 38.055 39.000 -0.052 0.000 1.031 536 F HN 0.082 nan 8.300 nan 0.000 0.500 537 T N -0.843 113.799 114.554 0.147 0.000 2.849 537 T HA -0.148 4.202 4.350 -0.001 0.000 0.270 537 T C 2.213 176.897 174.700 -0.027 0.000 1.066 537 T CA 1.353 63.499 62.100 0.077 0.000 1.130 537 T CB -0.726 68.198 68.868 0.094 0.000 0.864 537 T HN 0.458 nan 8.240 nan 0.000 0.481 538 G N 0.650 109.399 108.800 -0.084 0.000 2.712 538 G HA2 0.169 4.129 3.960 -0.001 0.000 0.212 538 G HA3 0.169 4.129 3.960 -0.001 0.000 0.212 538 G C 0.537 175.219 174.900 -0.364 0.000 1.142 538 G CA -0.198 44.571 45.100 -0.553 0.000 0.789 538 G HN 0.447 nan 8.290 nan 0.000 0.535 539 L N 3.331 124.395 121.223 -0.265 0.000 2.399 539 L HA 0.253 4.593 4.340 -0.001 0.000 0.257 539 L C 0.427 177.181 176.870 -0.195 0.000 1.236 539 L CA -0.465 54.039 54.840 -0.561 0.000 1.144 539 L CB -0.358 41.267 42.059 -0.724 0.000 1.379 539 L HN 0.056 nan 8.230 nan 0.000 0.414 540 T N -2.961 111.626 114.554 0.055 0.000 2.928 540 T HA 0.310 4.659 4.350 -0.001 0.000 0.284 540 T C 0.483 175.378 174.700 0.325 0.000 1.008 540 T CA -0.564 61.598 62.100 0.103 0.000 1.057 540 T CB 1.136 69.997 68.868 -0.012 0.000 1.018 540 T HN 0.551 nan 8.240 nan 0.000 0.493 541 H N -0.709 118.506 119.070 0.241 0.000 2.819 541 H HA -0.136 4.420 4.556 -0.001 0.000 0.315 541 H C 0.172 175.600 175.328 0.166 0.000 1.242 541 H CA 0.301 56.452 56.048 0.171 0.000 1.157 541 H CB -1.454 28.374 29.762 0.109 0.000 1.451 541 H HN 0.786 nan 8.280 nan 0.000 0.430 542 I N 1.098 121.846 120.570 0.297 0.000 2.813 542 I HA -0.061 4.109 4.170 -0.001 0.000 0.287 542 I C 1.124 177.277 176.117 0.060 0.000 1.196 542 I CA 0.350 61.744 61.300 0.158 0.000 1.421 542 I CB 0.448 38.508 38.000 0.101 0.000 1.365 542 I HN 0.207 nan 8.210 nan 0.000 0.591 543 D N 6.167 126.570 120.400 0.005 0.000 2.346 543 D HA 0.072 4.711 4.640 -0.001 0.000 0.260 543 D C 0.747 177.010 176.300 -0.061 0.000 1.252 543 D CA 0.327 54.279 54.000 -0.080 0.000 0.895 543 D CB 1.551 42.189 40.800 -0.270 0.000 1.097 543 D HN 0.715 nan 8.370 nan 0.000 0.489 544 A N 4.324 127.118 122.820 -0.042 0.000 1.908 544 A HA -0.262 4.057 4.320 -0.001 0.000 0.218 544 A C 1.931 179.507 177.584 -0.014 0.000 1.181 544 A CA 1.809 53.838 52.037 -0.012 0.000 0.627 544 A CB -0.641 18.363 19.000 0.006 0.000 0.818 544 A HN 0.849 nan 8.150 nan 0.000 0.445 545 H N -1.459 117.523 119.070 -0.147 0.000 2.357 545 H HA -0.084 4.471 4.556 -0.001 0.000 0.301 545 H C 1.601 176.930 175.328 0.002 0.000 1.082 545 H CA 1.855 57.833 56.048 -0.116 0.000 1.342 545 H CB -0.290 29.360 29.762 -0.186 0.000 1.389 545 H HN 0.393 nan 8.280 nan 0.000 0.511 546 F N 0.053 119.942 119.950 -0.102 0.000 2.095 546 F HA -0.137 4.389 4.527 -0.001 0.000 0.298 546 F C 2.443 178.142 175.800 -0.169 0.000 1.104 546 F CA 1.045 58.958 58.000 -0.145 0.000 1.232 546 F CB -1.279 37.687 39.000 -0.057 0.000 0.987 546 F HN 0.274 nan 8.300 nan 0.000 0.475 547 L N -0.332 120.919 121.223 0.047 0.000 2.046 547 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 547 L C 2.579 179.370 176.870 -0.131 0.000 1.077 547 L CA 2.015 56.820 54.840 -0.058 0.000 0.747 547 L CB -1.246 40.771 42.059 -0.070 0.000 0.896 547 L HN 0.157 nan 8.230 nan 0.000 0.432 548 S N -1.233 114.388 115.700 -0.132 0.000 2.383 548 S HA -0.263 4.206 4.470 -0.001 0.000 0.229 548 S C 1.977 176.486 174.600 -0.151 0.000 1.030 548 S CA 1.729 59.838 58.200 -0.151 0.000 1.002 548 S CB -0.228 62.911 63.200 -0.102 0.000 0.829 548 S HN 0.705 nan 8.310 nan 0.000 0.467 549 Q N -0.153 119.542 119.800 -0.175 0.000 2.083 549 Q HA -0.073 4.266 4.340 -0.001 0.000 0.198 549 Q C 2.524 178.481 176.000 -0.072 0.000 0.969 549 Q CA 1.867 57.594 55.803 -0.127 0.000 0.838 549 Q CB -0.390 28.261 28.738 -0.145 0.000 0.900 549 Q HN 0.881 nan 8.270 nan 0.000 0.436 550 T N -1.039 113.472 114.554 -0.073 0.000 2.867 550 T HA -0.085 4.264 4.350 -0.001 0.000 0.268 550 T C 1.617 176.286 174.700 -0.052 0.000 1.057 550 T CA 0.926 62.991 62.100 -0.060 0.000 1.136 550 T CB -0.075 68.759 68.868 -0.056 0.000 0.874 550 T HN 0.109 nan 8.240 nan 0.000 0.466 551 K N 0.603 120.920 120.400 -0.138 0.000 2.032 551 K HA -0.105 4.214 4.320 -0.001 0.000 0.209 551 K C 2.697 179.332 176.600 0.058 0.000 1.048 551 K CA 1.541 57.707 56.287 -0.202 0.000 0.927 551 K CB -0.187 31.907 32.500 -0.677 0.000 0.712 551 K HN 0.221 nan 8.250 nan 0.000 0.441 552 Q N -0.041 119.768 119.800 0.015 0.000 2.167 552 Q HA 0.004 4.343 4.340 -0.001 0.000 0.202 552 Q C 1.828 177.874 176.000 0.077 0.000 0.970 552 Q CA 1.475 57.324 55.803 0.076 0.000 0.855 552 Q CB -0.206 28.554 28.738 0.037 0.000 0.911 552 Q HN 0.348 nan 8.270 nan 0.000 0.438 553 A N -0.702 122.144 122.820 0.044 0.000 2.119 553 A HA 0.263 4.582 4.320 -0.001 0.000 0.217 553 A C 1.601 179.214 177.584 0.049 0.000 1.153 553 A CA 1.047 53.104 52.037 0.035 0.000 0.692 553 A CB -0.623 18.380 19.000 0.004 0.000 0.799 553 A HN 0.434 nan 8.150 nan 0.000 0.458 554 G N -0.347 108.506 108.800 0.089 0.000 2.168 554 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.257 554 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.257 554 G C -0.150 174.782 174.900 0.053 0.000 0.997 554 G CA 0.460 45.621 45.100 0.102 0.000 0.708 554 G HN 0.516 nan 8.290 nan 0.000 0.520 555 D N -0.934 119.481 120.400 0.026 0.000 2.398 555 D HA 0.202 4.841 4.640 -0.001 0.000 0.247 555 D C 1.664 177.966 176.300 0.003 0.000 1.227 555 D CA -0.378 53.619 54.000 -0.004 0.000 0.980 555 D CB 0.128 40.902 40.800 -0.044 0.000 1.106 555 D HN 0.207 nan 8.370 nan 0.000 0.493 556 N N -0.802 117.893 118.700 -0.009 0.000 2.036 556 N HA -0.160 4.579 4.740 -0.001 0.000 0.195 556 N C 0.003 175.380 175.510 -0.221 0.000 1.037 556 N CA 1.131 54.131 53.050 -0.083 0.000 0.855 556 N CB -0.006 38.498 38.487 0.028 0.000 1.033 556 N HN 0.242 nan 8.380 nan 0.000 0.423 557 F N -0.430 119.534 119.950 0.025 0.000 2.531 557 F HA 0.327 4.853 4.527 -0.001 0.000 0.333 557 F C -1.815 174.032 175.800 0.079 0.000 1.292 557 F CA -1.820 56.221 58.000 0.068 0.000 1.184 557 F CB 1.706 40.741 39.000 0.059 0.000 1.426 557 F HN -0.037 nan 8.300 nan 0.000 0.559 558 P HA -0.248 nan 4.420 nan 0.000 0.216 558 P C 1.611 179.000 177.300 0.148 0.000 1.150 558 P CA 1.563 64.725 63.100 0.104 0.000 0.837 558 P CB 0.210 31.922 31.700 0.020 0.000 0.786 559 Y N 0.853 121.242 120.300 0.147 0.000 2.133 559 Y HA -0.121 4.428 4.550 -0.001 0.000 0.287 559 Y C 2.568 178.643 175.900 0.291 0.000 1.134 559 Y CA 1.455 59.682 58.100 0.211 0.000 1.133 559 Y CB -0.979 37.640 38.460 0.265 0.000 0.987 559 Y HN -0.282 nan 8.280 nan 0.000 0.502 560 L N -1.196 120.305 121.223 0.462 0.000 2.079 560 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 560 L C 2.258 179.337 176.870 0.349 0.000 1.081 560 L CA 1.150 56.177 54.840 0.312 0.000 0.752 560 L CB -0.813 41.241 42.059 -0.010 0.000 0.896 560 L HN 0.152 nan 8.230 nan 0.000 0.433 561 V N 0.085 120.136 119.914 0.228 0.000 2.307 561 V HA -0.257 3.862 4.120 -0.001 0.000 0.245 561 V C 2.726 178.921 176.094 0.169 0.000 1.045 561 V CA 1.835 64.213 62.300 0.130 0.000 1.024 561 V CB -0.801 30.938 31.823 -0.139 0.000 0.651 561 V HN 0.478 nan 8.190 nan 0.000 0.449 562 A N -1.541 121.327 122.820 0.080 0.000 2.015 562 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 562 A C 2.119 179.736 177.584 0.055 0.000 1.163 562 A CA 1.673 53.735 52.037 0.042 0.000 0.646 562 A CB -0.651 18.349 19.000 -0.001 0.000 0.806 562 A HN 0.616 nan 8.150 nan 0.000 0.448 563 Y N -0.031 120.248 120.300 -0.036 0.000 2.220 563 Y HA -0.165 4.385 4.550 -0.001 0.000 0.291 563 Y C 2.621 178.534 175.900 0.022 0.000 1.129 563 Y CA 2.109 60.195 58.100 -0.022 0.000 1.161 563 Y CB -0.208 38.244 38.460 -0.014 0.000 0.997 563 Y HN 0.427 nan 8.280 nan 0.000 0.522 564 Q N 0.516 120.433 119.800 0.195 0.000 2.084 564 Q HA -0.168 4.171 4.340 -0.001 0.000 0.202 564 Q C 2.224 178.134 176.000 -0.151 0.000 0.978 564 Q CA 2.080 57.877 55.803 -0.010 0.000 0.844 564 Q CB -0.627 28.197 28.738 0.143 0.000 0.898 564 Q HN 0.474 nan 8.270 nan 0.000 0.426 565 A N -0.672 122.117 122.820 -0.051 0.000 1.902 565 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 565 A C 2.308 179.742 177.584 -0.250 0.000 1.181 565 A CA 1.960 53.840 52.037 -0.262 0.000 0.623 565 A CB -1.095 17.649 19.000 -0.427 0.000 0.818 565 A HN 0.513 nan 8.150 nan 0.000 0.443 566 T N -0.332 114.175 114.554 -0.078 0.000 2.674 566 T HA -0.136 4.213 4.350 -0.001 0.000 0.265 566 T C 1.878 176.498 174.700 -0.134 0.000 1.039 566 T CA 1.651 63.775 62.100 0.040 0.000 1.150 566 T CB -0.496 68.260 68.868 -0.186 0.000 0.864 566 T HN 0.144 nan 8.240 nan 0.000 0.427 567 V N 0.861 120.580 119.914 -0.326 0.000 2.332 567 V HA -0.222 3.898 4.120 -0.001 0.000 0.248 567 V C 2.834 178.791 176.094 -0.228 0.000 1.055 567 V CA 1.450 63.544 62.300 -0.344 0.000 1.038 567 V CB -0.731 30.759 31.823 -0.554 0.000 0.651 567 V HN 0.631 nan 8.190 nan 0.000 0.450 568 C N -0.081 119.074 119.300 -0.241 0.000 2.432 568 C HA -0.077 4.382 4.460 -0.001 0.000 0.277 568 C C 3.087 178.016 174.990 -0.103 0.000 1.249 568 C CA 0.797 59.688 59.018 -0.212 0.000 1.725 568 C CB -1.314 26.234 27.740 -0.319 0.000 2.028 568 C HN 0.637 nan 8.230 nan 0.000 0.477 569 A N 0.495 123.291 122.820 -0.039 0.000 1.902 569 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 569 A C 2.200 179.817 177.584 0.056 0.000 1.181 569 A CA 1.495 53.575 52.037 0.073 0.000 0.623 569 A CB -0.523 18.657 19.000 0.301 0.000 0.818 569 A HN 0.683 nan 8.150 nan 0.000 0.443 570 R N -0.737 119.786 120.500 0.038 0.000 2.148 570 R HA 0.031 4.371 4.340 -0.001 0.000 0.223 570 R C 2.039 178.357 176.300 0.030 0.000 1.088 570 R CA 0.964 57.082 56.100 0.030 0.000 0.985 570 R CB -0.288 30.027 30.300 0.024 0.000 0.880 570 R HN 0.480 nan 8.270 nan 0.000 0.451 571 A N 0.635 123.469 122.820 0.024 0.000 2.251 571 A HA -0.021 4.299 4.320 -0.001 0.000 0.209 571 A C 0.225 177.816 177.584 0.013 0.000 1.187 571 A CA 0.045 52.100 52.037 0.031 0.000 0.823 571 A CB 0.266 19.294 19.000 0.047 0.000 0.846 571 A HN 0.226 nan 8.150 nan 0.000 0.486 572 Q N -2.322 117.484 119.800 0.009 0.000 2.481 572 Q HA -0.229 4.111 4.340 -0.001 0.000 0.272 572 Q C 0.139 176.133 176.000 -0.009 0.000 1.157 572 Q CA 1.043 56.853 55.803 0.011 0.000 0.935 572 Q CB -2.757 26.000 28.738 0.032 0.000 1.338 572 Q HN 1.112 nan 8.270 nan 0.000 0.494 573 A N -0.035 122.758 122.820 -0.044 0.000 2.356 573 A HA 0.849 5.168 4.320 -0.001 0.000 0.323 573 A C -2.420 175.082 177.584 -0.138 0.000 1.119 573 A CA -1.644 50.348 52.037 -0.075 0.000 0.790 573 A CB 1.334 20.282 19.000 -0.085 0.000 1.273 573 A HN -0.071 nan 8.150 nan 0.000 0.452 574 P HA 0.332 nan 4.420 nan 0.000 0.274 574 P C -2.562 174.438 177.300 -0.500 0.000 1.237 574 P CA -1.212 61.739 63.100 -0.249 0.000 0.793 574 P CB 0.089 31.715 31.700 -0.125 0.000 0.977 575 P HA 0.181 nan 4.420 nan 0.000 0.275 575 P C -2.074 174.593 177.300 -1.055 0.000 1.266 575 P CA -1.657 60.782 63.100 -1.103 0.000 0.793 575 P CB -0.505 30.385 31.700 -1.350 0.000 1.074 576 P HA -0.106 nan 4.420 nan 0.000 0.218 576 P C 0.480 177.489 177.300 -0.485 0.000 1.148 576 P CA 1.762 64.445 63.100 -0.694 0.000 0.822 576 P CB -0.000 31.349 31.700 -0.585 0.000 0.784 577 S N -4.062 111.285 115.700 -0.589 0.000 2.672 577 S HA 0.332 4.801 4.470 -0.001 0.000 0.271 577 S C -1.216 173.186 174.600 -0.330 0.000 1.171 577 S CA -0.882 57.158 58.200 -0.267 0.000 0.817 577 S CB 0.077 63.298 63.200 0.036 0.000 1.150 577 S HN -0.012 nan 8.310 nan 0.000 0.478 578 W N 1.220 122.572 121.300 0.087 0.000 3.151 578 W HA 0.364 5.024 4.660 -0.001 0.000 0.424 578 W C 0.410 177.018 176.519 0.149 0.000 1.012 578 W CA -0.344 57.068 57.345 0.112 0.000 2.018 578 W CB -0.011 29.477 29.460 0.046 0.000 1.087 578 W HN 0.815 nan 8.180 nan 0.000 0.740 579 D N -0.078 120.522 120.400 0.335 0.000 2.363 579 D HA -0.069 4.570 4.640 -0.001 0.000 0.240 579 D C 1.549 177.950 176.300 0.169 0.000 1.236 579 D CA 0.619 54.752 54.000 0.222 0.000 0.927 579 D CB 1.147 42.048 40.800 0.169 0.000 1.150 579 D HN 0.117 nan 8.370 nan 0.000 0.458 580 Q N 0.646 120.490 119.800 0.074 0.000 2.234 580 Q HA -0.208 4.132 4.340 -0.001 0.000 0.206 580 Q C 1.932 177.884 176.000 -0.080 0.000 0.980 580 Q CA 1.094 56.913 55.803 0.027 0.000 0.869 580 Q CB -0.210 28.533 28.738 0.008 0.000 0.912 580 Q HN 0.651 nan 8.270 nan 0.000 0.436 581 M N -0.594 118.866 119.600 -0.234 0.000 2.195 581 M HA -0.205 4.275 4.480 -0.001 0.000 0.260 581 M C 0.314 176.174 176.300 -0.732 0.000 1.066 581 M CA 1.738 56.693 55.300 -0.576 0.000 1.089 581 M CB 0.051 32.131 32.600 -0.867 0.000 1.377 581 M HN 0.254 nan 8.290 nan 0.000 0.411 582 W N 0.753 122.023 121.300 -0.050 0.000 3.223 582 W HA 0.200 4.859 4.660 -0.001 0.000 0.389 582 W C 1.629 178.127 176.519 -0.034 0.000 1.118 582 W CA -0.527 56.744 57.345 -0.123 0.000 1.902 582 W CB -0.074 29.219 29.460 -0.278 0.000 1.094 582 W HN 0.217 nan 8.180 nan 0.000 0.666 583 K N 0.184 120.672 120.400 0.146 0.000 2.280 583 K HA -0.194 4.126 4.320 -0.001 0.000 0.202 583 K C 1.750 178.440 176.600 0.150 0.000 1.047 583 K CA 1.597 57.992 56.287 0.179 0.000 0.942 583 K CB -1.116 31.450 32.500 0.109 0.000 0.739 583 K HN 0.380 nan 8.250 nan 0.000 0.457 584 C N -0.152 119.190 119.300 0.070 0.000 2.430 584 C HA 0.116 4.576 4.460 -0.001 0.000 0.288 584 C C 1.850 176.875 174.990 0.059 0.000 1.448 584 C CA -0.241 58.806 59.018 0.049 0.000 1.784 584 C CB -0.955 26.763 27.740 -0.037 0.000 1.776 584 C HN 0.360 nan 8.230 nan 0.000 0.547 585 L N 0.397 121.667 121.223 0.078 0.000 2.607 585 L HA 0.393 4.732 4.340 -0.001 0.000 0.228 585 L C 2.178 179.274 176.870 0.376 0.000 1.123 585 L CA 0.501 55.419 54.840 0.130 0.000 0.890 585 L CB -0.720 41.330 42.059 -0.015 0.000 1.103 585 L HN 0.329 nan 8.230 nan 0.000 0.468 586 I N -0.716 120.071 120.570 0.361 0.000 2.264 586 I HA -0.299 3.870 4.170 -0.001 0.000 0.248 586 I C 2.619 178.778 176.117 0.071 0.000 1.111 586 I CA 0.939 62.360 61.300 0.202 0.000 1.382 586 I CB -0.303 37.769 38.000 0.119 0.000 1.060 586 I HN 0.285 nan 8.210 nan 0.000 0.418 587 R N 1.405 121.977 120.500 0.119 0.000 2.159 587 R HA -0.159 4.181 4.340 -0.001 0.000 0.237 587 R C 1.941 178.288 176.300 0.079 0.000 1.131 587 R CA 1.434 57.587 56.100 0.089 0.000 0.982 587 R CB -0.152 30.223 30.300 0.125 0.000 0.868 587 R HN 0.401 nan 8.270 nan 0.000 0.453 588 L N 0.203 121.501 121.223 0.126 0.000 2.585 588 L HA 0.053 4.392 4.340 -0.001 0.000 0.226 588 L C 2.340 179.255 176.870 0.074 0.000 1.113 588 L CA 0.078 54.984 54.840 0.111 0.000 0.876 588 L CB -0.151 42.004 42.059 0.158 0.000 1.072 588 L HN 0.131 nan 8.230 nan 0.000 0.468 589 K N 1.483 121.905 120.400 0.037 0.000 2.052 589 K HA -0.222 4.098 4.320 -0.001 0.000 0.215 589 K C -0.597 175.927 176.600 -0.127 0.000 1.053 589 K CA 2.001 58.227 56.287 -0.102 0.000 0.934 589 K CB -0.775 31.341 32.500 -0.639 0.000 0.717 589 K HN 0.146 nan 8.250 nan 0.000 0.450 590 P HA -0.142 nan 4.420 nan 0.000 0.220 590 P C 0.909 178.179 177.300 -0.049 0.000 1.144 590 P CA 1.745 64.811 63.100 -0.057 0.000 0.800 590 P CB -0.104 31.584 31.700 -0.019 0.000 0.772 591 T N -4.603 109.908 114.554 -0.073 0.000 3.060 591 T HA 0.157 4.507 4.350 -0.001 0.000 0.249 591 T C 0.472 175.040 174.700 -0.219 0.000 1.079 591 T CA -0.024 62.050 62.100 -0.044 0.000 1.013 591 T CB -0.610 68.271 68.868 0.020 0.000 0.975 591 T HN -0.072 nan 8.240 nan 0.000 0.518 592 L N 2.251 123.244 121.223 -0.384 0.000 2.272 592 L HA 0.626 4.966 4.340 -0.001 0.000 0.289 592 L C -0.581 175.938 176.870 -0.586 0.000 1.032 592 L CA -0.961 53.695 54.840 -0.306 0.000 0.810 592 L CB 0.793 42.828 42.059 -0.040 0.000 1.205 592 L HN 0.311 nan 8.230 nan 0.000 0.422 593 H N 1.074 120.173 119.070 0.049 0.000 3.008 593 H HA 0.786 5.341 4.556 -0.001 0.000 0.354 593 H C 0.244 175.578 175.328 0.010 0.000 1.252 593 H CA -0.114 55.955 56.048 0.036 0.000 1.117 593 H CB 2.042 31.820 29.762 0.027 0.000 1.857 593 H HN 0.775 nan 8.280 nan 0.000 0.547 594 G N 0.444 109.329 108.800 0.141 0.000 2.660 594 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.247 594 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.247 594 G C -2.826 172.080 174.900 0.009 0.000 1.328 594 G CA -0.835 44.301 45.100 0.059 0.000 0.884 594 G HN 0.627 nan 8.290 nan 0.000 0.531 595 P HA 0.386 nan 4.420 nan 0.000 0.277 595 P C 0.045 177.292 177.300 -0.089 0.000 1.240 595 P CA 0.076 63.146 63.100 -0.050 0.000 0.798 595 P CB 0.738 32.414 31.700 -0.040 0.000 0.979 596 T N 4.352 118.821 114.554 -0.141 0.000 2.814 596 T HA 0.204 4.553 4.350 -0.001 0.000 0.297 596 T C -1.958 172.634 174.700 -0.179 0.000 0.956 596 T CA -0.929 61.045 62.100 -0.210 0.000 1.123 596 T CB -0.317 68.373 68.868 -0.297 0.000 0.902 596 T HN 0.346 nan 8.240 nan 0.000 0.528 597 P HA 0.160 nan 4.420 nan 0.000 0.263 597 P C -0.380 176.774 177.300 -0.245 0.000 1.601 597 P CA -0.591 62.420 63.100 -0.148 0.000 1.161 597 P CB -0.031 31.607 31.700 -0.103 0.000 1.730 598 L N 3.956 125.046 121.223 -0.220 0.000 2.418 598 L HA 0.067 4.406 4.340 -0.001 0.000 0.274 598 L C 1.166 177.841 176.870 -0.326 0.000 1.135 598 L CA 0.320 54.991 54.840 -0.281 0.000 0.870 598 L CB 0.096 42.031 42.059 -0.208 0.000 1.154 598 L HN 0.235 nan 8.230 nan 0.000 0.462 599 L N 5.687 126.579 121.223 -0.553 0.000 2.249 599 L HA 0.125 4.464 4.340 -0.001 0.000 0.207 599 L C -0.450 175.995 176.870 -0.709 0.000 1.090 599 L CA 0.130 54.536 54.840 -0.722 0.000 0.802 599 L CB -0.288 41.049 42.059 -1.203 0.000 0.947 599 L HN 0.708 nan 8.230 nan 0.000 0.453 600 Y N -2.892 117.257 120.300 -0.252 0.000 2.852 600 Y HA 0.489 5.039 4.550 -0.001 0.000 0.350 600 Y C -0.905 174.820 175.900 -0.292 0.000 1.272 600 Y CA -2.240 55.578 58.100 -0.469 0.000 1.086 600 Y CB 0.490 38.352 38.460 -0.997 0.000 1.408 600 Y HN -0.238 nan 8.280 nan 0.000 0.447 601 R N 1.005 121.484 120.500 -0.035 0.000 2.360 601 R HA 0.651 4.991 4.340 -0.001 0.000 0.318 601 R C -0.524 175.811 176.300 0.058 0.000 0.950 601 R CA -0.534 55.588 56.100 0.037 0.000 0.837 601 R CB 1.312 31.619 30.300 0.012 0.000 1.165 601 R HN 0.793 nan 8.270 nan 0.000 0.458 602 L N 1.185 122.486 121.223 0.131 0.000 2.858 602 L HA 0.430 4.770 4.340 -0.001 0.000 0.251 602 L C 0.777 177.708 176.870 0.102 0.000 1.149 602 L CA -0.178 54.711 54.840 0.081 0.000 0.955 602 L CB 1.035 43.144 42.059 0.084 0.000 1.289 602 L HN 0.829 nan 8.230 nan 0.000 0.542 603 G N -0.405 108.475 108.800 0.132 0.000 2.427 603 G HA2 0.526 4.486 3.960 -0.001 0.000 0.306 603 G HA3 0.526 4.486 3.960 -0.001 0.000 0.306 603 G C -1.463 173.504 174.900 0.111 0.000 1.280 603 G CA -0.132 45.037 45.100 0.115 0.000 0.837 603 G HN -0.056 nan 8.290 nan 0.000 0.482 604 A N -0.988 121.891 122.820 0.098 0.000 2.531 604 A HA 0.505 4.824 4.320 -0.001 0.000 0.236 604 A C 0.086 177.712 177.584 0.071 0.000 1.062 604 A CA 0.230 52.312 52.037 0.074 0.000 0.760 604 A CB 0.284 19.323 19.000 0.066 0.000 0.995 604 A HN 1.439 nan 8.150 nan 0.000 0.501 605 V N 3.582 123.511 119.914 0.024 0.000 2.350 605 V HA 0.208 4.327 4.120 -0.001 0.000 0.285 605 V C 0.654 176.730 176.094 -0.029 0.000 1.014 605 V CA -0.200 62.084 62.300 -0.027 0.000 0.831 605 V CB 0.812 32.604 31.823 -0.053 0.000 1.000 605 V HN 1.106 nan 8.190 nan 0.000 0.433 606 Q N 2.081 121.857 119.800 -0.041 0.000 2.349 606 Q HA 0.103 4.442 4.340 -0.001 0.000 0.209 606 Q C 0.832 176.811 176.000 -0.034 0.000 0.920 606 Q CA 0.157 55.950 55.803 -0.017 0.000 0.901 606 Q CB 0.368 29.115 28.738 0.014 0.000 1.021 606 Q HN 0.717 nan 8.270 nan 0.000 0.519 607 N N 2.044 120.695 118.700 -0.082 0.000 2.525 607 N HA -0.045 4.694 4.740 -0.001 0.000 0.271 607 N C -0.688 174.777 175.510 -0.075 0.000 1.194 607 N CA -0.009 52.992 53.050 -0.081 0.000 0.964 607 N CB 0.761 39.160 38.487 -0.147 0.000 1.126 607 N HN 0.060 nan 8.380 nan 0.000 0.452 608 E N 1.153 121.324 120.200 -0.049 0.000 2.467 608 E HA 0.090 4.439 4.350 -0.001 0.000 0.264 608 E C -0.614 175.944 176.600 -0.070 0.000 1.020 608 E CA -0.269 56.104 56.400 -0.045 0.000 0.945 608 E CB 0.443 30.127 29.700 -0.026 0.000 0.942 608 E HN 0.364 nan 8.360 nan 0.000 0.449 609 V N 0.870 120.746 119.914 -0.064 0.000 2.864 609 V HA 0.663 4.783 4.120 -0.001 0.000 0.314 609 V C -0.407 175.651 176.094 -0.059 0.000 1.073 609 V CA -0.538 61.713 62.300 -0.081 0.000 0.956 609 V CB 1.808 33.575 31.823 -0.093 0.000 1.023 609 V HN 0.703 nan 8.190 nan 0.000 0.435 610 T N 3.121 117.637 114.554 -0.062 0.000 2.885 610 T HA 0.665 5.015 4.350 -0.001 0.000 0.285 610 T C -0.041 174.638 174.700 -0.036 0.000 1.019 610 T CA -0.589 61.488 62.100 -0.039 0.000 1.010 610 T CB 1.318 70.170 68.868 -0.025 0.000 1.022 610 T HN 0.767 nan 8.240 nan 0.000 0.466 611 L N 3.615 124.826 121.223 -0.020 0.000 3.066 611 L HA 0.244 4.584 4.340 -0.001 0.000 0.265 611 L C 2.027 178.903 176.870 0.009 0.000 1.232 611 L CA -0.205 54.628 54.840 -0.012 0.000 1.031 611 L CB 0.175 42.225 42.059 -0.014 0.000 1.379 611 L HN 0.825 nan 8.230 nan 0.000 0.563 612 T N -5.111 109.452 114.554 0.016 0.000 3.067 612 T HA -0.024 4.326 4.350 -0.001 0.000 0.257 612 T C 1.015 175.728 174.700 0.022 0.000 1.105 612 T CA 0.041 62.148 62.100 0.011 0.000 1.104 612 T CB -0.169 68.696 68.868 -0.006 0.000 0.925 612 T HN 0.191 nan 8.240 nan 0.000 0.498 613 H N 3.106 122.160 119.070 -0.026 0.000 3.001 613 H HA 0.085 4.640 4.556 -0.001 0.000 0.334 613 H C -1.729 173.607 175.328 0.012 0.000 1.034 613 H CA -1.272 54.765 56.048 -0.017 0.000 1.420 613 H CB 1.448 31.187 29.762 -0.039 0.000 1.405 613 H HN 0.020 nan 8.280 nan 0.000 0.593 614 P HA -0.168 nan 4.420 nan 0.000 0.218 614 P C 1.667 179.104 177.300 0.228 0.000 1.148 614 P CA 0.800 63.924 63.100 0.040 0.000 0.822 614 P CB 0.350 32.019 31.700 -0.052 0.000 0.784 615 I N -0.916 119.923 120.570 0.450 0.000 2.252 615 I HA -0.152 4.018 4.170 -0.001 0.000 0.245 615 I C 1.936 178.205 176.117 0.253 0.000 1.102 615 I CA 1.702 63.211 61.300 0.349 0.000 1.385 615 I CB -1.906 36.286 38.000 0.321 0.000 1.064 615 I HN 0.027 nan 8.210 nan 0.000 0.414 616 T N 1.460 116.122 114.554 0.180 0.000 2.665 616 T HA -0.223 4.127 4.350 -0.001 0.000 0.268 616 T C 1.926 176.687 174.700 0.102 0.000 1.035 616 T CA 1.564 63.712 62.100 0.081 0.000 1.151 616 T CB -0.184 68.708 68.868 0.040 0.000 0.862 616 T HN 0.358 nan 8.240 nan 0.000 0.438 617 K N -0.170 120.301 120.400 0.119 0.000 2.097 617 K HA -0.063 4.257 4.320 -0.001 0.000 0.205 617 K C 2.142 178.805 176.600 0.106 0.000 1.050 617 K CA 1.064 57.405 56.287 0.090 0.000 0.938 617 K CB -0.321 32.225 32.500 0.076 0.000 0.718 617 K HN 0.382 nan 8.250 nan 0.000 0.442 618 Y N 2.026 122.361 120.300 0.058 0.000 2.097 618 Y HA -0.238 4.311 4.550 -0.001 0.000 0.282 618 Y C 1.860 177.793 175.900 0.054 0.000 1.152 618 Y CA 1.489 59.621 58.100 0.053 0.000 1.136 618 Y CB -0.233 38.264 38.460 0.062 0.000 0.975 618 Y HN -0.086 nan 8.280 nan 0.000 0.498 619 I N -0.270 120.347 120.570 0.078 0.000 2.226 619 I HA -0.371 3.798 4.170 -0.001 0.000 0.245 619 I C 2.481 178.605 176.117 0.012 0.000 1.100 619 I CA 1.642 62.961 61.300 0.032 0.000 1.374 619 I CB -0.438 37.693 38.000 0.219 0.000 1.057 619 I HN 0.315 nan 8.210 nan 0.000 0.413 620 M N 0.484 120.100 119.600 0.028 0.000 2.082 620 M HA -0.256 4.224 4.480 -0.001 0.000 0.258 620 M C 2.593 178.869 176.300 -0.040 0.000 1.069 620 M CA 2.228 57.537 55.300 0.015 0.000 1.102 620 M CB -0.646 31.963 32.600 0.015 0.000 1.336 620 M HN 0.345 nan 8.290 nan 0.000 0.404 621 A N -0.485 122.279 122.820 -0.093 0.000 1.940 621 A HA -0.186 4.133 4.320 -0.001 0.000 0.219 621 A C 2.284 179.769 177.584 -0.165 0.000 1.176 621 A CA 1.741 53.702 52.037 -0.125 0.000 0.631 621 A CB -1.280 17.635 19.000 -0.141 0.000 0.814 621 A HN 0.640 nan 8.150 nan 0.000 0.446 622 C N -0.334 118.819 119.300 -0.245 0.000 2.425 622 C HA -0.121 4.338 4.460 -0.001 0.000 0.277 622 C C 2.757 177.768 174.990 0.036 0.000 1.280 622 C CA 1.271 60.182 59.018 -0.177 0.000 1.744 622 C CB -1.088 26.480 27.740 -0.288 0.000 1.989 622 C HN 0.633 nan 8.230 nan 0.000 0.491 623 M N 0.477 120.108 119.600 0.052 0.000 2.632 623 M HA -0.062 4.417 4.480 -0.001 0.000 0.256 623 M C 1.843 178.031 176.300 -0.186 0.000 1.080 623 M CA 0.985 56.228 55.300 -0.094 0.000 1.084 623 M CB -1.096 31.458 32.600 -0.077 0.000 1.439 623 M HN 0.279 nan 8.290 nan 0.000 0.509 624 S N 0.793 116.422 115.700 -0.118 0.000 2.522 624 S HA 0.202 4.671 4.470 -0.001 0.000 0.227 624 S C 1.098 175.620 174.600 -0.130 0.000 0.986 624 S CA 0.124 58.254 58.200 -0.116 0.000 0.929 624 S CB -0.240 62.912 63.200 -0.081 0.000 0.769 624 S HN 0.543 nan 8.310 nan 0.000 0.529 625 A N 1.781 124.519 122.820 -0.138 0.000 2.425 625 A HA 0.249 4.569 4.320 -0.001 0.000 0.242 625 A C -0.202 177.265 177.584 -0.195 0.000 1.077 625 A CA -0.505 51.454 52.037 -0.130 0.000 0.781 625 A CB 0.083 19.035 19.000 -0.081 0.000 1.020 625 A HN 0.170 nan 8.150 nan 0.000 0.494 626 D N 0.397 120.711 120.400 -0.144 0.000 2.531 626 D HA 0.292 4.931 4.640 -0.001 0.000 0.239 626 D C -0.581 175.583 176.300 -0.228 0.000 1.144 626 D CA 1.179 55.089 54.000 -0.150 0.000 0.869 626 D CB 0.213 40.963 40.800 -0.083 0.000 1.160 626 D HN 0.347 nan 8.370 nan 0.000 0.484 627 L N 2.349 123.397 121.223 -0.290 0.000 2.372 627 L HA 0.221 4.560 4.340 -0.001 0.000 0.273 627 L C 0.420 177.198 176.870 -0.155 0.000 0.989 627 L CA -0.629 53.977 54.840 -0.389 0.000 0.841 627 L CB 1.806 43.357 42.059 -0.846 0.000 1.225 627 L HN 0.266 nan 8.230 nan 0.000 0.414 628 E N 3.693 123.903 120.200 0.016 0.000 2.257 628 E HA 0.390 4.739 4.350 -0.001 0.000 0.278 628 E C -1.003 175.673 176.600 0.127 0.000 1.049 628 E CA -0.400 56.031 56.400 0.051 0.000 0.876 628 E CB 1.230 30.944 29.700 0.023 0.000 1.035 628 E HN 0.406 nan 8.360 nan 0.000 0.419 629 V N 1.890 121.834 119.914 0.050 0.000 2.914 629 V HA 0.598 4.717 4.120 -0.001 0.000 0.314 629 V C 0.037 176.090 176.094 -0.068 0.000 1.084 629 V CA -1.016 61.310 62.300 0.043 0.000 0.963 629 V CB 1.274 33.156 31.823 0.099 0.000 1.025 629 V HN 0.453 nan 8.190 nan 0.000 0.432 630 V N 1.380 121.193 119.914 -0.167 0.000 2.834 630 V HA 0.901 5.020 4.120 -0.001 0.000 0.301 630 V C 0.400 176.374 176.094 -0.201 0.000 1.066 630 V CA 0.654 62.742 62.300 -0.353 0.000 1.052 630 V CB 0.838 32.164 31.823 -0.828 0.000 1.021 630 V HN 1.410 nan 8.190 nan 0.000 0.480 631 T N 0.000 114.457 114.554 -0.161 0.000 3.816 631 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 631 T CA 0.000 62.111 62.100 0.018 0.000 1.349 631 T CB 0.000 68.910 68.868 0.070 0.000 0.612 631 T HN 0.000 nan 8.240 nan 0.000 0.658