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 1msw_1_D DATA FIRST_RESID 2 DATA SEQUENCE NTINIAKNDF SDIELAAIPF NTLADHYGER LAREQLALEH ESYEMGEARF DATA SEQUENCE RKMFERQLKA GEVADNAAAK PLITTLLPKM IARINDWFEE VKAKRGKRPT DATA SEQUENCE AFQFLQEIKP EAVAYITIKT TLACLTSADN TTVQAVASAI GRAIEDEARF DATA SEQUENCE GRIRDLEAKH FKKNVEEQLN KRVGHVYKKA FMQVVEADML SKGLLGGEAW DATA SEQUENCE SSWHKEDSIH VGVRCIEMLI ESTGMVSLHR QXXXXXXXXS ETIELAPEYA DATA SEQUENCE EAIATRAGAL AGISPMFQPC VVPPKPWTGI TGGGYWANGR RPLALVRTHS DATA SEQUENCE KKALMRYEDV YMPEVYKAIN IAQNTAWKIN KKVLAVANVI TKWKHCPVED DATA SEQUENCE IPAIEREELP MKXXXXXXXX XXXTAWKRAA AAVYRKDKAR KSRRISLEFM DATA SEQUENCE LEQANKFANH KAIWFPYNMD WRGRVYAVSM FNPQGNDMTK GLLTLAKGKP DATA SEQUENCE IGKEGYYWLK IHGANCAGVD KVPFPERIKF IEENHENIMA CAKSPLENTW DATA SEQUENCE WAEQDSPFCF LAFCFEYAGV QHHGLSYNCS LPLAFDGSCS GIQHFSAMLR DATA SEQUENCE DEVGGRAVNL LPSETVQDIY GIVAKKVNEI LQADAINGTD NEVVTVTDEN DATA SEQUENCE TGEISEKVKL GTKALAGQWL AYGVTRSVTK RSVMTLAYGS KEFGFRQQVL DATA SEQUENCE EDTIQPAIDS GKGLMFTQPN QAAGYMAKLI WESVSVTVVA AVEAMNWLKS DATA SEQUENCE AAKLLAAEVK DKKTGEILRK RCAVHWVTPD GFPVWQEYKK PIQTRLNLMF DATA SEQUENCE LGQFRLQPTI NTNKDSEIDA HKQESGIAPN FVHSQDGSHL RKTVVWAHEK DATA SEQUENCE YGIESFALIH DSFGTIPADA ANLFKAVRET MVDTYESCDV LADFYDQFAD DATA SEQUENCE QLHESQLDKM PALPAKGNLN LRDILESDFA FA 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.539 175.510 0.048 0.000 1.280 2 N CA 0.000 53.075 53.050 0.041 0.000 0.885 2 N CB 0.000 38.517 38.487 0.051 0.000 1.341 3 T N 0.148 114.734 114.554 0.053 0.000 2.893 3 T HA 0.714 5.070 4.350 0.011 0.000 0.291 3 T C -1.198 173.546 174.700 0.074 0.000 1.028 3 T CA -0.518 61.622 62.100 0.065 0.000 0.995 3 T CB 0.399 69.298 68.868 0.051 0.000 1.051 3 T HN 0.336 nan 8.240 nan 0.000 0.470 4 I N 4.803 125.436 120.570 0.105 0.000 2.312 4 I HA 0.325 4.502 4.170 0.011 0.000 0.291 4 I C 0.338 176.462 176.117 0.012 0.000 1.031 4 I CA -0.677 60.677 61.300 0.089 0.000 1.293 4 I CB 0.803 38.916 38.000 0.189 0.000 1.403 4 I HN 0.474 nan 8.210 nan 0.000 0.484 5 N N 7.828 126.523 118.700 -0.008 0.000 2.500 5 N HA 0.355 5.102 4.740 0.011 0.000 0.236 5 N C -0.536 174.931 175.510 -0.072 0.000 1.022 5 N CA -0.369 52.660 53.050 -0.035 0.000 0.935 5 N CB 1.339 39.817 38.487 -0.015 0.000 1.147 5 N HN 0.347 nan 8.380 nan 0.000 0.512 6 I N 1.355 121.852 120.570 -0.121 0.000 2.577 6 I HA 0.457 4.634 4.170 0.011 0.000 0.300 6 I C 0.645 176.709 176.117 -0.089 0.000 0.990 6 I CA -0.633 60.582 61.300 -0.140 0.000 1.283 6 I CB 1.271 39.132 38.000 -0.232 0.000 1.411 6 I HN 0.351 nan 8.210 nan 0.000 0.515 7 A N 3.881 126.651 122.820 -0.083 0.000 2.401 7 A HA 0.820 5.146 4.320 0.011 0.000 0.310 7 A C -0.544 176.988 177.584 -0.085 0.000 1.075 7 A CA -0.890 51.105 52.037 -0.071 0.000 0.746 7 A CB 0.898 19.858 19.000 -0.066 0.000 1.277 7 A HN 0.562 nan 8.150 nan 0.000 0.425 8 K N 1.117 121.468 120.400 -0.081 0.000 2.219 8 K HA 0.330 4.657 4.320 0.011 0.000 0.258 8 K C -0.165 176.306 176.600 -0.216 0.000 1.008 8 K CA 0.205 56.425 56.287 -0.113 0.000 0.928 8 K CB 0.239 32.696 32.500 -0.072 0.000 0.983 8 K HN 0.723 nan 8.250 nan 0.000 0.484 9 N N 0.245 118.695 118.700 -0.417 0.000 2.476 9 N HA 0.110 4.857 4.740 0.011 0.000 0.276 9 N C -1.151 173.934 175.510 -0.708 0.000 1.204 9 N CA -0.585 52.094 53.050 -0.620 0.000 0.974 9 N CB 0.645 38.580 38.487 -0.919 0.000 1.204 9 N HN 0.481 nan 8.380 nan 0.000 0.543 10 D N 0.868 120.968 120.400 -0.500 0.000 2.456 10 D HA 0.109 4.756 4.640 0.011 0.000 0.219 10 D C -0.256 175.899 176.300 -0.243 0.000 1.126 10 D CA -0.195 53.637 54.000 -0.280 0.000 0.890 10 D CB -0.079 40.641 40.800 -0.133 0.000 1.025 10 D HN 0.495 nan 8.370 nan 0.000 0.511 11 F N 1.169 121.143 119.950 0.040 0.000 2.776 11 F HA -0.075 4.458 4.527 0.009 0.000 0.300 11 F C 2.675 178.591 175.800 0.193 0.000 1.116 11 F CA -0.248 57.756 58.000 0.007 0.000 1.375 11 F CB 0.370 39.256 39.000 -0.190 0.000 1.109 11 F HN 0.320 nan 8.300 nan 0.000 0.585 12 S N 0.046 115.947 115.700 0.335 0.000 2.419 12 S HA -0.264 4.213 4.470 0.011 0.000 0.235 12 S C 1.800 176.476 174.600 0.126 0.000 1.019 12 S CA 1.417 59.731 58.200 0.191 0.000 0.982 12 S CB -0.768 62.483 63.200 0.085 0.000 0.789 12 S HN 0.630 nan 8.310 nan 0.000 0.490 13 D N 2.004 122.467 120.400 0.104 0.000 2.123 13 D HA -0.182 4.464 4.640 0.011 0.000 0.196 13 D C 1.719 178.065 176.300 0.076 0.000 0.992 13 D CA 1.217 55.256 54.000 0.065 0.000 0.833 13 D CB -0.488 40.335 40.800 0.039 0.000 0.954 13 D HN 0.491 nan 8.370 nan 0.000 0.455 14 I N 1.575 122.202 120.570 0.095 0.000 2.800 14 I HA -0.166 4.010 4.170 0.011 0.000 0.266 14 I C 0.879 177.064 176.117 0.114 0.000 1.249 14 I CA 0.740 62.083 61.300 0.072 0.000 1.458 14 I CB -0.488 37.516 38.000 0.005 0.000 1.093 14 I HN -0.080 nan 8.210 nan 0.000 0.466 15 E N 2.177 122.450 120.200 0.122 0.000 1.896 15 E HA 0.020 4.376 4.350 0.011 0.000 0.276 15 E C 0.202 176.886 176.600 0.139 0.000 1.171 15 E CA -0.307 56.167 56.400 0.124 0.000 1.118 15 E CB -0.432 29.313 29.700 0.075 0.000 1.077 15 E HN 0.158 nan 8.360 nan 0.000 0.452 16 L N 1.465 122.784 121.223 0.159 0.000 2.832 16 L HA -0.242 4.105 4.340 0.011 0.000 0.334 16 L C 0.442 177.421 176.870 0.181 0.000 1.254 16 L CA 0.679 55.619 54.840 0.167 0.000 0.844 16 L CB 0.284 42.452 42.059 0.181 0.000 1.090 16 L HN 0.509 nan 8.230 nan 0.000 0.550 17 A N 4.066 126.967 122.820 0.135 0.000 2.409 17 A HA 0.458 4.785 4.320 0.011 0.000 0.246 17 A C 1.364 179.030 177.584 0.138 0.000 1.099 17 A CA 0.426 52.525 52.037 0.102 0.000 0.789 17 A CB -0.313 18.732 19.000 0.075 0.000 1.053 17 A HN 1.341 nan 8.150 nan 0.000 0.503 18 A N 0.107 122.964 122.820 0.061 0.000 1.930 18 A HA -0.001 4.326 4.320 0.011 0.000 0.217 18 A C 1.820 179.460 177.584 0.093 0.000 1.175 18 A CA 1.611 53.668 52.037 0.033 0.000 0.627 18 A CB -0.481 18.489 19.000 -0.050 0.000 0.815 18 A HN 0.693 nan 8.150 nan 0.000 0.443 19 I N 0.056 120.668 120.570 0.069 0.000 2.202 19 I HA -0.123 4.053 4.170 0.011 0.000 0.242 19 I C -0.588 175.579 176.117 0.084 0.000 1.091 19 I CA 1.316 62.652 61.300 0.060 0.000 1.368 19 I CB -2.336 35.688 38.000 0.040 0.000 1.058 19 I HN 0.180 nan 8.210 nan 0.000 0.410 20 P HA -0.113 nan 4.420 nan 0.000 0.225 20 P C 1.914 179.284 177.300 0.117 0.000 1.156 20 P CA 0.944 64.111 63.100 0.112 0.000 0.787 20 P CB -0.134 31.640 31.700 0.124 0.000 0.802 21 F N 0.464 120.413 119.950 -0.002 0.000 2.293 21 F HA -0.054 4.479 4.527 0.010 0.000 0.297 21 F C 1.789 177.552 175.800 -0.062 0.000 1.089 21 F CA 0.828 58.812 58.000 -0.026 0.000 1.377 21 F CB -0.220 38.772 39.000 -0.015 0.000 1.051 21 F HN -0.180 nan 8.300 nan 0.000 0.511 22 N N -0.476 118.370 118.700 0.244 0.000 2.550 22 N HA -0.110 4.637 4.740 0.011 0.000 0.186 22 N C 1.405 176.892 175.510 -0.038 0.000 1.110 22 N CA 1.371 54.491 53.050 0.116 0.000 0.912 22 N CB -0.136 38.388 38.487 0.062 0.000 0.968 22 N HN 0.151 nan 8.380 nan 0.000 0.448 23 T N 0.009 114.522 114.554 -0.068 0.000 2.857 23 T HA 0.008 4.364 4.350 0.011 0.000 0.266 23 T C 1.706 176.244 174.700 -0.270 0.000 1.048 23 T CA 0.683 62.695 62.100 -0.145 0.000 1.139 23 T CB 0.024 68.869 68.868 -0.038 0.000 0.874 23 T HN 0.185 nan 8.240 nan 0.000 0.455 24 L N 0.300 121.308 121.223 -0.358 0.000 2.084 24 L HA 0.264 4.610 4.340 0.011 0.000 0.202 24 L C 1.683 178.377 176.870 -0.293 0.000 1.074 24 L CA 0.040 54.593 54.840 -0.477 0.000 0.757 24 L CB -0.595 41.059 42.059 -0.674 0.000 0.918 24 L HN 0.183 nan 8.230 nan 0.000 0.444 25 A N -0.115 122.588 122.820 -0.195 0.000 2.448 25 A HA 0.016 4.343 4.320 0.011 0.000 0.239 25 A C 0.727 178.268 177.584 -0.072 0.000 1.080 25 A CA 0.410 52.428 52.037 -0.033 0.000 0.779 25 A CB 0.110 19.216 19.000 0.177 0.000 1.026 25 A HN 0.625 nan 8.150 nan 0.000 0.499 26 D N -1.480 118.892 120.400 -0.047 0.000 2.593 26 D HA -0.236 4.411 4.640 0.011 0.000 0.176 26 D C 0.990 177.230 176.300 -0.101 0.000 1.580 26 D CA 2.475 56.434 54.000 -0.069 0.000 1.831 26 D CB -1.266 39.480 40.800 -0.090 0.000 1.384 26 D HN 0.916 nan 8.370 nan 0.000 0.479 27 H N -1.679 117.185 119.070 -0.343 0.000 2.329 27 H HA -0.018 4.545 4.556 0.011 0.000 0.306 27 H C 1.378 176.256 175.328 -0.749 0.000 1.062 27 H CA 1.377 57.040 56.048 -0.641 0.000 1.364 27 H CB 0.323 29.522 29.762 -0.938 0.000 1.409 27 H HN 0.184 nan 8.280 nan 0.000 0.519 28 Y N -1.142 119.124 120.300 -0.057 0.000 2.432 28 Y HA 0.307 4.864 4.550 0.011 0.000 0.252 28 Y C 0.693 176.552 175.900 -0.068 0.000 1.097 28 Y CA 0.388 58.420 58.100 -0.114 0.000 1.250 28 Y CB 1.213 39.539 38.460 -0.222 0.000 1.245 28 Y HN 0.296 nan 8.280 nan 0.000 0.522 29 G N 1.624 110.446 108.800 0.038 0.000 3.307 29 G HA2 -0.229 3.737 3.960 0.011 0.000 0.686 29 G HA3 -0.229 3.737 3.960 0.011 0.000 0.686 29 G C 0.508 175.444 174.900 0.062 0.000 0.983 29 G CA 0.094 45.223 45.100 0.047 0.000 0.804 29 G HN 0.289 nan 8.290 nan 0.000 0.531 30 E N 1.004 121.267 120.200 0.105 0.000 2.257 30 E HA -0.390 3.966 4.350 0.011 0.000 0.229 30 E C 2.406 179.083 176.600 0.127 0.000 1.089 30 E CA 2.171 58.678 56.400 0.179 0.000 0.947 30 E CB -0.095 29.702 29.700 0.162 0.000 0.808 30 E HN 0.646 nan 8.360 nan 0.000 0.471 31 R N 0.263 120.814 120.500 0.085 0.000 2.143 31 R HA -0.224 4.123 4.340 0.011 0.000 0.239 31 R C 2.586 178.925 176.300 0.066 0.000 1.126 31 R CA 2.231 58.371 56.100 0.068 0.000 0.927 31 R CB -0.626 29.703 30.300 0.048 0.000 0.860 31 R HN 0.341 nan 8.270 nan 0.000 0.433 32 L N -0.104 121.151 121.223 0.054 0.000 2.007 32 L HA -0.090 4.256 4.340 0.011 0.000 0.205 32 L C 2.857 179.722 176.870 -0.009 0.000 1.073 32 L CA 1.223 56.089 54.840 0.043 0.000 0.744 32 L CB -0.832 41.249 42.059 0.038 0.000 0.898 32 L HN 0.326 nan 8.230 nan 0.000 0.435 33 A N 0.242 123.020 122.820 -0.069 0.000 1.954 33 A HA -0.330 3.996 4.320 0.011 0.000 0.222 33 A C 2.423 179.870 177.584 -0.228 0.000 1.199 33 A CA 2.526 54.407 52.037 -0.260 0.000 0.657 33 A CB -0.754 17.998 19.000 -0.413 0.000 0.823 33 A HN 0.405 nan 8.150 nan 0.000 0.463 34 R N -0.733 119.767 120.500 -0.000 0.000 2.075 34 R HA -0.098 4.249 4.340 0.011 0.000 0.226 34 R C 2.270 178.627 176.300 0.095 0.000 1.114 34 R CA 1.428 57.612 56.100 0.140 0.000 0.972 34 R CB -0.276 30.159 30.300 0.225 0.000 0.869 34 R HN 0.737 nan 8.270 nan 0.000 0.437 35 E N 0.087 120.338 120.200 0.085 0.000 2.058 35 E HA -0.312 4.045 4.350 0.011 0.000 0.194 35 E C 1.930 178.603 176.600 0.122 0.000 0.997 35 E CA 1.637 58.104 56.400 0.110 0.000 0.801 35 E CB 0.013 29.790 29.700 0.129 0.000 0.746 35 E HN 0.198 nan 8.360 nan 0.000 0.450 36 Q N 0.874 120.726 119.800 0.087 0.000 2.002 36 Q HA -0.168 4.179 4.340 0.011 0.000 0.204 36 Q C 2.190 178.267 176.000 0.129 0.000 0.988 36 Q CA 1.993 57.861 55.803 0.108 0.000 0.843 36 Q CB -0.547 28.218 28.738 0.045 0.000 0.908 36 Q HN 0.458 nan 8.270 nan 0.000 0.420 37 L N -0.147 121.129 121.223 0.089 0.000 2.187 37 L HA -0.150 4.196 4.340 0.011 0.000 0.213 37 L C 2.328 179.291 176.870 0.154 0.000 1.100 37 L CA 0.927 55.843 54.840 0.125 0.000 0.765 37 L CB -0.831 41.291 42.059 0.106 0.000 0.904 37 L HN 0.312 nan 8.230 nan 0.000 0.437 38 A N -0.153 122.749 122.820 0.137 0.000 1.929 38 A HA -0.139 4.188 4.320 0.011 0.000 0.216 38 A C 2.175 179.868 177.584 0.181 0.000 1.176 38 A CA 1.057 53.179 52.037 0.141 0.000 0.628 38 A CB -0.394 18.673 19.000 0.111 0.000 0.816 38 A HN 0.249 nan 8.150 nan 0.000 0.444 39 L N 0.307 121.630 121.223 0.168 0.000 2.027 39 L HA -0.129 4.217 4.340 0.011 0.000 0.206 39 L C 2.332 179.287 176.870 0.141 0.000 1.074 39 L CA 2.084 57.025 54.840 0.168 0.000 0.745 39 L CB -0.803 41.376 42.059 0.200 0.000 0.898 39 L HN 0.505 nan 8.230 nan 0.000 0.433 40 E N -1.807 118.479 120.200 0.142 0.000 2.106 40 E HA -0.258 4.098 4.350 0.011 0.000 0.192 40 E C 2.054 178.759 176.600 0.175 0.000 0.984 40 E CA 0.983 57.446 56.400 0.105 0.000 0.806 40 E CB -0.300 29.476 29.700 0.127 0.000 0.750 40 E HN 0.573 nan 8.360 nan 0.000 0.458 41 H N 1.297 120.425 119.070 0.097 0.000 2.389 41 H HA -0.110 4.452 4.556 0.010 0.000 0.299 41 H C 2.022 177.380 175.328 0.050 0.000 1.081 41 H CA 1.679 57.775 56.048 0.080 0.000 1.345 41 H CB 0.304 30.121 29.762 0.091 0.000 1.393 41 H HN 0.221 nan 8.280 nan 0.000 0.520 42 E N 0.202 120.467 120.200 0.109 0.000 2.051 42 E HA -0.130 4.226 4.350 0.011 0.000 0.192 42 E C 2.412 178.969 176.600 -0.073 0.000 0.991 42 E CA 1.181 57.604 56.400 0.038 0.000 0.799 42 E CB 0.098 29.852 29.700 0.091 0.000 0.748 42 E HN 0.291 nan 8.360 nan 0.000 0.449 43 S N -0.256 115.400 115.700 -0.072 0.000 2.372 43 S HA -0.224 4.252 4.470 0.011 0.000 0.227 43 S C 1.681 176.043 174.600 -0.397 0.000 1.044 43 S CA 1.670 59.747 58.200 -0.204 0.000 1.050 43 S CB -0.530 62.523 63.200 -0.245 0.000 0.901 43 S HN 0.406 nan 8.310 nan 0.000 0.447 44 Y N 1.788 121.792 120.300 -0.494 0.000 2.293 44 Y HA -0.067 4.489 4.550 0.010 0.000 0.291 44 Y C 2.501 177.915 175.900 -0.809 0.000 1.137 44 Y CA 1.052 58.666 58.100 -0.809 0.000 1.202 44 Y CB -0.243 37.450 38.460 -1.280 0.000 0.990 44 Y HN 0.371 nan 8.280 nan 0.000 0.537 45 E N -0.472 119.472 120.200 -0.427 0.000 2.107 45 E HA -0.178 4.178 4.350 0.011 0.000 0.191 45 E C 2.056 178.628 176.600 -0.048 0.000 0.982 45 E CA 1.274 57.600 56.400 -0.125 0.000 0.809 45 E CB -0.270 29.413 29.700 -0.030 0.000 0.756 45 E HN 0.540 nan 8.360 nan 0.000 0.459 46 M N 0.609 120.157 119.600 -0.087 0.000 2.159 46 M HA -0.069 4.417 4.480 0.011 0.000 0.263 46 M C 2.456 178.724 176.300 -0.052 0.000 1.063 46 M CA 1.578 56.856 55.300 -0.037 0.000 1.110 46 M CB -0.423 32.164 32.600 -0.021 0.000 1.374 46 M HN 0.173 nan 8.290 nan 0.000 0.411 47 G N 0.057 108.771 108.800 -0.144 0.000 2.421 47 G HA2 -0.247 3.719 3.960 0.011 0.000 0.216 47 G HA3 -0.247 3.719 3.960 0.011 0.000 0.216 47 G C 1.340 176.246 174.900 0.010 0.000 1.171 47 G CA 1.077 46.098 45.100 -0.132 0.000 0.775 47 G HN 0.549 nan 8.290 nan 0.000 0.543 48 E N 0.495 120.723 120.200 0.046 0.000 2.077 48 E HA -0.064 4.292 4.350 0.011 0.000 0.193 48 E C 2.749 179.450 176.600 0.168 0.000 0.989 48 E CA 1.064 57.565 56.400 0.168 0.000 0.800 48 E CB -0.280 29.596 29.700 0.292 0.000 0.746 48 E HN 0.332 nan 8.360 nan 0.000 0.452 49 A N 1.708 124.595 122.820 0.112 0.000 1.908 49 A HA -0.264 4.062 4.320 0.011 0.000 0.218 49 A C 2.180 179.820 177.584 0.094 0.000 1.181 49 A CA 2.135 54.229 52.037 0.095 0.000 0.627 49 A CB -0.672 18.368 19.000 0.066 0.000 0.818 49 A HN 0.438 nan 8.150 nan 0.000 0.445 50 R N -2.203 118.346 120.500 0.082 0.000 2.153 50 R HA 0.104 4.451 4.340 0.011 0.000 0.218 50 R C 1.886 178.238 176.300 0.087 0.000 1.072 50 R CA 1.280 57.416 56.100 0.059 0.000 0.990 50 R CB -0.696 29.613 30.300 0.015 0.000 0.889 50 R HN 0.390 nan 8.270 nan 0.000 0.452 51 F N 1.961 121.933 119.950 0.036 0.000 2.084 51 F HA 0.027 4.559 4.527 0.010 0.000 0.296 51 F C 2.266 178.137 175.800 0.119 0.000 1.111 51 F CA 1.388 59.432 58.000 0.074 0.000 1.224 51 F CB 0.003 39.047 39.000 0.074 0.000 0.991 51 F HN -0.163 nan 8.300 nan 0.000 0.471 52 R N 0.387 121.090 120.500 0.337 0.000 2.103 52 R HA -0.232 4.115 4.340 0.011 0.000 0.242 52 R C 2.329 178.703 176.300 0.123 0.000 1.142 52 R CA 1.976 58.202 56.100 0.210 0.000 0.960 52 R CB -0.512 29.870 30.300 0.137 0.000 0.858 52 R HN 0.307 nan 8.270 nan 0.000 0.439 53 K N 0.903 121.352 120.400 0.081 0.000 1.985 53 K HA -0.178 4.148 4.320 0.011 0.000 0.210 53 K C 2.195 178.807 176.600 0.020 0.000 1.047 53 K CA 1.673 57.989 56.287 0.049 0.000 0.932 53 K CB -0.147 32.373 32.500 0.033 0.000 0.716 53 K HN 0.076 nan 8.250 nan 0.000 0.439 54 M N 0.157 119.731 119.600 -0.044 0.000 2.082 54 M HA -0.228 4.259 4.480 0.011 0.000 0.258 54 M C 1.978 178.211 176.300 -0.112 0.000 1.069 54 M CA 1.834 57.067 55.300 -0.112 0.000 1.102 54 M CB -0.300 32.173 32.600 -0.212 0.000 1.336 54 M HN 0.265 nan 8.290 nan 0.000 0.404 55 F N 1.468 121.237 119.950 -0.302 0.000 2.046 55 F HA -0.261 4.272 4.527 0.010 0.000 0.297 55 F C 2.053 177.800 175.800 -0.088 0.000 1.123 55 F CA 2.427 60.292 58.000 -0.225 0.000 1.199 55 F CB -0.660 38.239 39.000 -0.169 0.000 0.972 55 F HN 0.272 nan 8.300 nan 0.000 0.474 56 E N -0.325 120.085 120.200 0.350 0.000 2.171 56 E HA -0.285 4.071 4.350 0.011 0.000 0.197 56 E C 2.331 178.983 176.600 0.087 0.000 0.997 56 E CA 1.205 57.744 56.400 0.231 0.000 0.810 56 E CB -0.286 29.500 29.700 0.145 0.000 0.738 56 E HN 0.421 nan 8.360 nan 0.000 0.467 57 R N 1.064 121.582 120.500 0.031 0.000 2.061 57 R HA -0.165 4.181 4.340 0.011 0.000 0.230 57 R C 2.256 178.530 176.300 -0.043 0.000 1.140 57 R CA 1.581 57.675 56.100 -0.009 0.000 0.940 57 R CB -0.023 30.261 30.300 -0.026 0.000 0.839 57 R HN 0.173 nan 8.270 nan 0.000 0.429 58 Q N 0.200 119.937 119.800 -0.105 0.000 2.135 58 Q HA -0.200 4.146 4.340 0.011 0.000 0.204 58 Q C 2.152 178.068 176.000 -0.140 0.000 0.981 58 Q CA 1.324 57.037 55.803 -0.150 0.000 0.856 58 Q CB -0.105 28.475 28.738 -0.263 0.000 0.902 58 Q HN 0.246 nan 8.270 nan 0.000 0.425 59 L N 0.908 122.049 121.223 -0.137 0.000 2.046 59 L HA -0.137 4.210 4.340 0.011 0.000 0.208 59 L C 0.799 177.658 176.870 -0.018 0.000 1.077 59 L CA 1.650 56.450 54.840 -0.067 0.000 0.747 59 L CB -0.041 42.056 42.059 0.063 0.000 0.896 59 L HN -0.063 nan 8.230 nan 0.000 0.432 60 K N 0.214 120.614 120.400 -0.001 0.000 3.006 60 K HA 0.424 4.751 4.320 0.011 0.000 0.262 60 K C 0.302 176.900 176.600 -0.004 0.000 1.289 60 K CA 0.643 56.933 56.287 0.005 0.000 1.245 60 K CB -0.143 32.367 32.500 0.017 0.000 1.614 60 K HN 0.279 nan 8.250 nan 0.000 0.322 61 A N -0.856 121.957 122.820 -0.011 0.000 2.408 61 A HA 0.271 4.598 4.320 0.011 0.000 0.195 61 A C 0.800 178.383 177.584 -0.001 0.000 2.215 61 A CA 0.057 52.095 52.037 0.001 0.000 1.224 61 A CB -0.464 18.538 19.000 0.002 0.000 0.924 61 A HN 0.386 nan 8.150 nan 0.000 0.450 62 G N 0.553 109.338 108.800 -0.026 0.000 2.338 62 G HA2 -0.224 3.742 3.960 0.011 0.000 0.296 62 G HA3 -0.224 3.742 3.960 0.011 0.000 0.296 62 G C 0.041 174.917 174.900 -0.041 0.000 1.040 62 G CA 0.715 45.789 45.100 -0.044 0.000 1.004 62 G HN 0.688 nan 8.290 nan 0.000 0.509 63 E N -0.905 119.264 120.200 -0.052 0.000 2.758 63 E HA 0.181 4.537 4.350 0.011 0.000 0.215 63 E C 2.006 178.542 176.600 -0.107 0.000 0.985 63 E CA 0.167 56.541 56.400 -0.044 0.000 1.102 63 E CB 0.524 30.211 29.700 -0.021 0.000 1.042 63 E HN 0.367 nan 8.360 nan 0.000 0.480 64 V N 1.127 120.958 119.914 -0.138 0.000 2.324 64 V HA -0.325 3.801 4.120 0.011 0.000 0.250 64 V C 2.526 178.548 176.094 -0.119 0.000 1.060 64 V CA 2.302 64.489 62.300 -0.189 0.000 1.042 64 V CB -0.840 30.910 31.823 -0.121 0.000 0.650 64 V HN 0.354 nan 8.190 nan 0.000 0.450 65 A N -0.226 122.548 122.820 -0.077 0.000 2.019 65 A HA -0.231 4.096 4.320 0.011 0.000 0.219 65 A C 1.904 179.505 177.584 0.028 0.000 1.164 65 A CA 1.917 53.932 52.037 -0.036 0.000 0.644 65 A CB -0.542 18.399 19.000 -0.099 0.000 0.805 65 A HN 0.542 nan 8.150 nan 0.000 0.449 66 D N -0.193 120.211 120.400 0.007 0.000 2.277 66 D HA -0.034 4.613 4.640 0.011 0.000 0.208 66 D C 0.726 177.024 176.300 -0.002 0.000 0.962 66 D CA 0.166 54.184 54.000 0.030 0.000 0.865 66 D CB -0.232 40.578 40.800 0.017 0.000 0.939 66 D HN 0.417 nan 8.370 nan 0.000 0.510 67 N N 0.632 119.296 118.700 -0.060 0.000 2.518 67 N HA 0.064 4.811 4.740 0.011 0.000 0.266 67 N C 0.768 176.311 175.510 0.056 0.000 1.196 67 N CA 0.038 53.053 53.050 -0.059 0.000 0.947 67 N CB 1.387 39.743 38.487 -0.217 0.000 1.098 67 N HN -0.106 nan 8.380 nan 0.000 0.450 68 A N 3.135 126.024 122.820 0.115 0.000 2.259 68 A HA -0.031 4.296 4.320 0.011 0.000 0.212 68 A C 1.762 179.457 177.584 0.184 0.000 1.178 68 A CA 1.549 53.678 52.037 0.152 0.000 0.734 68 A CB -0.385 18.721 19.000 0.176 0.000 0.774 68 A HN 0.760 nan 8.150 nan 0.000 0.481 69 A N -0.891 122.067 122.820 0.230 0.000 2.030 69 A HA 0.462 4.789 4.320 0.011 0.000 0.215 69 A C 2.261 179.953 177.584 0.180 0.000 1.164 69 A CA 1.194 53.382 52.037 0.251 0.000 0.697 69 A CB -0.457 18.799 19.000 0.425 0.000 0.827 69 A HN 0.829 nan 8.150 nan 0.000 0.457 70 A N 0.221 123.122 122.820 0.134 0.000 1.935 70 A HA 0.026 4.353 4.320 0.011 0.000 0.214 70 A C 1.970 179.611 177.584 0.096 0.000 1.178 70 A CA 1.238 53.333 52.037 0.097 0.000 0.640 70 A CB -0.249 18.780 19.000 0.048 0.000 0.825 70 A HN 0.265 nan 8.150 nan 0.000 0.447 71 K N 0.279 120.742 120.400 0.105 0.000 2.032 71 K HA -0.184 4.143 4.320 0.011 0.000 0.218 71 K C -0.378 176.284 176.600 0.103 0.000 1.054 71 K CA 2.097 58.450 56.287 0.110 0.000 0.941 71 K CB -2.138 30.426 32.500 0.107 0.000 0.720 71 K HN 0.450 nan 8.250 nan 0.000 0.449 72 P HA -0.191 nan 4.420 nan 0.000 0.217 72 P C 1.868 179.224 177.300 0.093 0.000 1.151 72 P CA 1.507 64.662 63.100 0.091 0.000 0.849 72 P CB -0.121 31.633 31.700 0.089 0.000 0.787 73 L N -1.954 119.328 121.223 0.098 0.000 2.162 73 L HA -0.007 4.339 4.340 0.011 0.000 0.205 73 L C 2.375 179.279 176.870 0.056 0.000 1.086 73 L CA 1.142 56.038 54.840 0.094 0.000 0.778 73 L CB -0.741 41.386 42.059 0.113 0.000 0.928 73 L HN -0.271 nan 8.230 nan 0.000 0.446 74 I N 1.394 122.000 120.570 0.060 0.000 2.335 74 I HA -0.219 3.957 4.170 0.011 0.000 0.251 74 I C 2.553 178.727 176.117 0.095 0.000 1.129 74 I CA 1.941 63.276 61.300 0.059 0.000 1.402 74 I CB -1.843 36.221 38.000 0.108 0.000 1.069 74 I HN 0.540 nan 8.210 nan 0.000 0.424 75 T N -3.379 111.237 114.554 0.105 0.000 3.088 75 T HA -0.006 4.350 4.350 0.011 0.000 0.259 75 T C 1.606 176.358 174.700 0.087 0.000 1.122 75 T CA 0.960 63.126 62.100 0.109 0.000 1.095 75 T CB -0.391 68.537 68.868 0.100 0.000 0.930 75 T HN 0.197 nan 8.240 nan 0.000 0.508 76 T N 1.852 116.451 114.554 0.075 0.000 3.031 76 T HA 0.328 4.684 4.350 0.011 0.000 0.254 76 T C 1.788 176.521 174.700 0.055 0.000 1.060 76 T CA 0.337 62.480 62.100 0.071 0.000 1.135 76 T CB -0.154 68.767 68.868 0.088 0.000 0.896 76 T HN 0.291 nan 8.240 nan 0.000 0.472 77 L N 0.460 121.700 121.223 0.028 0.000 2.068 77 L HA 0.081 4.427 4.340 0.011 0.000 0.204 77 L C 2.397 179.278 176.870 0.018 0.000 1.076 77 L CA 0.503 55.338 54.840 -0.009 0.000 0.753 77 L CB -0.749 41.258 42.059 -0.088 0.000 0.910 77 L HN 0.157 nan 8.230 nan 0.000 0.439 78 L N 0.851 122.103 121.223 0.049 0.000 2.054 78 L HA -0.196 4.151 4.340 0.011 0.000 0.220 78 L C -0.364 176.559 176.870 0.088 0.000 1.081 78 L CA 2.470 57.363 54.840 0.088 0.000 0.780 78 L CB -1.485 40.676 42.059 0.170 0.000 0.893 78 L HN 0.105 nan 8.230 nan 0.000 0.438 79 P HA -0.155 nan 4.420 nan 0.000 0.215 79 P C 1.338 178.674 177.300 0.059 0.000 1.157 79 P CA 1.509 64.655 63.100 0.075 0.000 0.859 79 P CB -0.102 31.639 31.700 0.068 0.000 0.786 80 K N -1.179 119.249 120.400 0.047 0.000 2.152 80 K HA -0.098 4.229 4.320 0.011 0.000 0.206 80 K C 2.009 178.624 176.600 0.025 0.000 1.048 80 K CA 1.131 57.440 56.287 0.036 0.000 0.933 80 K CB -0.563 31.955 32.500 0.031 0.000 0.721 80 K HN 0.177 nan 8.250 nan 0.000 0.447 81 M N 0.869 120.481 119.600 0.019 0.000 2.134 81 M HA -0.011 4.476 4.480 0.011 0.000 0.262 81 M C 2.242 178.556 176.300 0.025 0.000 1.076 81 M CA 1.246 56.548 55.300 0.003 0.000 1.143 81 M CB -0.478 32.116 32.600 -0.010 0.000 1.346 81 M HN 0.039 nan 8.290 nan 0.000 0.421 82 I N 0.170 120.775 120.570 0.058 0.000 2.248 82 I HA -0.297 3.880 4.170 0.011 0.000 0.248 82 I C 2.477 178.643 176.117 0.083 0.000 1.107 82 I CA 1.272 62.623 61.300 0.086 0.000 1.373 82 I CB -0.669 37.398 38.000 0.112 0.000 1.055 82 I HN 0.231 nan 8.210 nan 0.000 0.418 83 A N 0.891 123.753 122.820 0.069 0.000 1.877 83 A HA -0.251 4.076 4.320 0.011 0.000 0.216 83 A C 2.366 179.990 177.584 0.065 0.000 1.186 83 A CA 1.968 54.047 52.037 0.070 0.000 0.620 83 A CB -0.561 18.474 19.000 0.059 0.000 0.822 83 A HN 0.312 nan 8.150 nan 0.000 0.443 84 R N 0.024 120.549 120.500 0.041 0.000 2.105 84 R HA -0.099 4.248 4.340 0.011 0.000 0.239 84 R C 1.742 178.057 176.300 0.025 0.000 1.135 84 R CA 1.777 57.896 56.100 0.030 0.000 0.967 84 R CB -0.504 29.790 30.300 -0.010 0.000 0.861 84 R HN 0.468 nan 8.270 nan 0.000 0.442 85 I N 0.750 121.308 120.570 -0.019 0.000 2.226 85 I HA -0.225 3.951 4.170 0.011 0.000 0.245 85 I C 1.653 177.699 176.117 -0.119 0.000 1.100 85 I CA 1.619 62.838 61.300 -0.135 0.000 1.374 85 I CB -1.466 36.483 38.000 -0.085 0.000 1.057 85 I HN 0.333 nan 8.210 nan 0.000 0.413 86 N N 0.745 119.507 118.700 0.103 0.000 2.106 86 N HA -0.185 4.561 4.740 0.011 0.000 0.188 86 N C 1.384 177.019 175.510 0.208 0.000 1.029 86 N CA 1.329 54.527 53.050 0.246 0.000 0.848 86 N CB -0.063 38.546 38.487 0.204 0.000 1.007 86 N HN 0.303 nan 8.380 nan 0.000 0.423 87 D N 0.255 120.744 120.400 0.148 0.000 2.106 87 D HA -0.199 4.448 4.640 0.011 0.000 0.191 87 D C 1.390 177.791 176.300 0.169 0.000 0.997 87 D CA 0.825 54.908 54.000 0.138 0.000 0.834 87 D CB -0.325 40.544 40.800 0.116 0.000 0.956 87 D HN 0.355 nan 8.370 nan 0.000 0.448 88 W N 0.781 122.062 121.300 -0.031 0.000 2.317 88 W HA -0.243 4.424 4.660 0.011 0.000 0.318 88 W C 1.785 178.363 176.519 0.098 0.000 1.227 88 W CA 1.267 58.589 57.345 -0.040 0.000 1.269 88 W CB -0.747 28.607 29.460 -0.176 0.000 1.155 88 W HN -0.091 nan 8.180 nan 0.000 0.484 89 F N 1.250 121.272 119.950 0.121 0.000 2.287 89 F HA -0.215 4.318 4.527 0.011 0.000 0.301 89 F C 2.266 178.054 175.800 -0.020 0.000 1.069 89 F CA 1.713 59.747 58.000 0.057 0.000 1.372 89 F CB -1.038 38.062 39.000 0.166 0.000 1.056 89 F HN -0.056 nan 8.300 nan 0.000 0.523 90 E N 0.187 120.468 120.200 0.135 0.000 2.060 90 E HA -0.094 4.263 4.350 0.011 0.000 0.189 90 E C 2.208 178.774 176.600 -0.056 0.000 0.974 90 E CA 0.933 57.362 56.400 0.048 0.000 0.808 90 E CB -0.599 29.141 29.700 0.068 0.000 0.768 90 E HN 0.439 nan 8.360 nan 0.000 0.453 91 E N 1.410 121.559 120.200 -0.085 0.000 2.038 91 E HA -0.147 4.209 4.350 0.011 0.000 0.195 91 E C 2.279 178.749 176.600 -0.217 0.000 1.000 91 E CA 1.248 57.582 56.400 -0.109 0.000 0.803 91 E CB -0.980 28.688 29.700 -0.053 0.000 0.750 91 E HN 0.155 nan 8.360 nan 0.000 0.448 92 V N 1.521 121.187 119.914 -0.414 0.000 2.546 92 V HA -0.288 3.838 4.120 0.011 0.000 0.254 92 V C 2.086 177.887 176.094 -0.490 0.000 1.076 92 V CA 2.196 64.171 62.300 -0.542 0.000 1.087 92 V CB -0.299 30.966 31.823 -0.930 0.000 0.674 92 V HN 0.171 nan 8.190 nan 0.000 0.470 93 K N 0.137 120.319 120.400 -0.363 0.000 2.021 93 K HA 0.163 4.489 4.320 0.011 0.000 0.205 93 K C 2.198 178.687 176.600 -0.185 0.000 1.047 93 K CA 1.198 57.315 56.287 -0.282 0.000 0.943 93 K CB -0.437 31.974 32.500 -0.150 0.000 0.725 93 K HN 0.509 nan 8.250 nan 0.000 0.439 94 A N 1.560 124.301 122.820 -0.132 0.000 2.216 94 A HA -0.090 4.236 4.320 0.011 0.000 0.214 94 A C 0.756 178.283 177.584 -0.095 0.000 1.160 94 A CA 0.665 52.647 52.037 -0.092 0.000 0.725 94 A CB -0.254 18.710 19.000 -0.059 0.000 0.784 94 A HN 0.103 nan 8.150 nan 0.000 0.472 95 K N 0.465 120.789 120.400 -0.128 0.000 2.234 95 K HA 0.361 4.687 4.320 0.011 0.000 0.277 95 K C 0.080 176.610 176.600 -0.115 0.000 1.038 95 K CA -0.790 55.432 56.287 -0.108 0.000 0.888 95 K CB 0.604 33.039 32.500 -0.108 0.000 1.091 95 K HN 0.216 nan 8.250 nan 0.000 0.467 96 R N 2.394 122.843 120.500 -0.085 0.000 2.784 96 R HA 0.278 4.624 4.340 0.011 0.000 0.266 96 R C 0.262 176.513 176.300 -0.081 0.000 1.044 96 R CA 1.878 57.931 56.100 -0.080 0.000 1.151 96 R CB 0.363 30.628 30.300 -0.058 0.000 1.037 96 R HN 0.911 nan 8.270 nan 0.000 0.478 97 G N 1.701 110.453 108.800 -0.080 0.000 2.548 97 G HA2 -0.230 3.737 3.960 0.011 0.000 0.208 97 G HA3 -0.230 3.737 3.960 0.011 0.000 0.208 97 G C -1.200 173.645 174.900 -0.091 0.000 1.308 97 G CA -0.108 44.948 45.100 -0.073 0.000 0.924 97 G HN 0.723 nan 8.290 nan 0.000 0.540 98 K N 0.844 121.198 120.400 -0.077 0.000 2.322 98 K HA 0.428 4.755 4.320 0.011 0.000 0.283 98 K C 0.762 177.301 176.600 -0.101 0.000 1.042 98 K CA -0.314 55.922 56.287 -0.085 0.000 0.958 98 K CB 0.286 32.750 32.500 -0.061 0.000 0.984 98 K HN 0.525 nan 8.250 nan 0.000 0.473 99 R N 4.199 124.615 120.500 -0.140 0.000 2.490 99 R HA 0.186 4.532 4.340 0.011 0.000 0.278 99 R C -2.140 174.124 176.300 -0.060 0.000 1.069 99 R CA -1.706 54.285 56.100 -0.181 0.000 1.080 99 R CB 0.242 30.333 30.300 -0.349 0.000 1.030 99 R HN 0.550 nan 8.270 nan 0.000 0.491 100 P HA -0.109 nan 4.420 nan 0.000 0.264 100 P C 0.636 178.026 177.300 0.151 0.000 1.173 100 P CA 0.472 63.666 63.100 0.156 0.000 0.761 100 P CB 0.523 32.444 31.700 0.368 0.000 0.794 101 T N -0.421 114.188 114.554 0.093 0.000 2.929 101 T HA -0.166 4.191 4.350 0.011 0.000 0.271 101 T C 1.551 176.341 174.700 0.149 0.000 1.085 101 T CA 1.133 63.249 62.100 0.026 0.000 1.125 101 T CB -0.572 68.215 68.868 -0.135 0.000 0.874 101 T HN 0.377 nan 8.240 nan 0.000 0.494 102 A N 0.888 123.886 122.820 0.296 0.000 1.903 102 A HA 0.253 4.580 4.320 0.011 0.000 0.213 102 A C 1.880 179.742 177.584 0.463 0.000 1.185 102 A CA 0.700 52.982 52.037 0.408 0.000 0.628 102 A CB -1.083 18.131 19.000 0.356 0.000 0.830 102 A HN 0.426 nan 8.150 nan 0.000 0.446 103 F N 1.029 121.242 119.950 0.438 0.000 2.048 103 F HA -0.401 4.133 4.527 0.011 0.000 0.296 103 F C 2.498 178.383 175.800 0.141 0.000 1.109 103 F CA 2.786 61.007 58.000 0.369 0.000 1.214 103 F CB -0.452 38.588 39.000 0.066 0.000 0.963 103 F HN 0.431 nan 8.300 nan 0.000 0.491 104 Q N -0.744 119.113 119.800 0.095 0.000 2.133 104 Q HA -0.261 4.085 4.340 0.011 0.000 0.208 104 Q C 2.170 177.956 176.000 -0.355 0.000 0.991 104 Q CA 2.426 58.087 55.803 -0.235 0.000 0.867 104 Q CB -0.430 28.017 28.738 -0.485 0.000 0.911 104 Q HN 0.507 nan 8.270 nan 0.000 0.417 105 F N 0.180 120.070 119.950 -0.101 0.000 2.234 105 F HA -0.019 4.515 4.527 0.011 0.000 0.296 105 F C 1.876 177.746 175.800 0.116 0.000 1.089 105 F CA 0.587 58.505 58.000 -0.138 0.000 1.343 105 F CB -0.219 38.455 39.000 -0.543 0.000 1.040 105 F HN 0.029 nan 8.300 nan 0.000 0.498 106 L N -0.147 121.261 121.223 0.309 0.000 2.633 106 L HA -0.135 4.212 4.340 0.011 0.000 0.235 106 L C 1.833 178.787 176.870 0.141 0.000 1.163 106 L CA 0.490 55.535 54.840 0.341 0.000 0.859 106 L CB -0.443 41.923 42.059 0.513 0.000 0.973 106 L HN 0.158 nan 8.230 nan 0.000 0.451 107 Q N -0.541 119.208 119.800 -0.085 0.000 2.354 107 Q HA -0.080 4.267 4.340 0.011 0.000 0.203 107 Q C 1.958 177.919 176.000 -0.064 0.000 0.933 107 Q CA 0.594 56.231 55.803 -0.278 0.000 0.901 107 Q CB 0.305 28.798 28.738 -0.408 0.000 1.007 107 Q HN 0.338 nan 8.270 nan 0.000 0.495 108 E N 0.377 120.640 120.200 0.104 0.000 2.005 108 E HA -0.129 4.227 4.350 0.011 0.000 0.198 108 E C 0.669 177.343 176.600 0.123 0.000 1.010 108 E CA 0.764 57.268 56.400 0.173 0.000 0.825 108 E CB -0.621 29.301 29.700 0.370 0.000 0.769 108 E HN 0.328 nan 8.360 nan 0.000 0.456 109 I N 0.535 121.199 120.570 0.156 0.000 2.945 109 I HA 0.128 4.305 4.170 0.011 0.000 0.292 109 I C 0.455 176.636 176.117 0.107 0.000 1.093 109 I CA -0.848 60.522 61.300 0.117 0.000 1.336 109 I CB 0.005 38.084 38.000 0.132 0.000 1.435 109 I HN -0.219 nan 8.210 nan 0.000 0.593 110 K N 4.083 124.541 120.400 0.098 0.000 2.355 110 K HA 0.171 4.497 4.320 0.011 0.000 0.270 110 K C -1.558 175.140 176.600 0.164 0.000 1.003 110 K CA -1.012 55.339 56.287 0.107 0.000 0.957 110 K CB 0.124 32.680 32.500 0.094 0.000 0.939 110 K HN 0.488 nan 8.250 nan 0.000 0.482 111 P HA -0.291 nan 4.420 nan 0.000 0.214 111 P C 0.821 178.239 177.300 0.196 0.000 1.163 111 P CA 1.653 64.904 63.100 0.251 0.000 0.889 111 P CB 0.126 31.997 31.700 0.284 0.000 0.790 112 E N 0.774 121.089 120.200 0.193 0.000 2.160 112 E HA -0.188 4.169 4.350 0.011 0.000 0.195 112 E C 2.079 178.836 176.600 0.263 0.000 0.991 112 E CA 1.675 58.216 56.400 0.234 0.000 0.810 112 E CB -1.367 28.489 29.700 0.261 0.000 0.742 112 E HN 0.229 nan 8.360 nan 0.000 0.466 113 A N 1.837 124.801 122.820 0.240 0.000 1.873 113 A HA -0.076 4.251 4.320 0.011 0.000 0.215 113 A C 2.675 180.332 177.584 0.121 0.000 1.186 113 A CA 1.618 53.775 52.037 0.200 0.000 0.616 113 A CB -0.828 18.273 19.000 0.169 0.000 0.823 113 A HN 0.152 nan 8.150 nan 0.000 0.442 114 V N 0.015 120.008 119.914 0.131 0.000 2.287 114 V HA -0.293 3.834 4.120 0.011 0.000 0.248 114 V C 3.070 179.190 176.094 0.044 0.000 1.053 114 V CA 2.089 64.451 62.300 0.103 0.000 1.027 114 V CB -1.305 30.607 31.823 0.148 0.000 0.646 114 V HN 0.629 nan 8.190 nan 0.000 0.447 115 A N -1.056 121.798 122.820 0.055 0.000 1.877 115 A HA -0.281 4.046 4.320 0.011 0.000 0.216 115 A C 2.175 179.729 177.584 -0.049 0.000 1.186 115 A CA 2.214 54.259 52.037 0.013 0.000 0.620 115 A CB -0.797 18.238 19.000 0.059 0.000 0.822 115 A HN 0.623 nan 8.150 nan 0.000 0.443 116 Y N 0.275 120.448 120.300 -0.213 0.000 2.163 116 Y HA -0.130 4.427 4.550 0.011 0.000 0.288 116 Y C 2.024 177.759 175.900 -0.274 0.000 1.136 116 Y CA 1.648 59.511 58.100 -0.394 0.000 1.147 116 Y CB -0.277 37.584 38.460 -0.999 0.000 0.987 116 Y HN 0.253 nan 8.280 nan 0.000 0.509 117 I N -0.744 119.711 120.570 -0.192 0.000 2.454 117 I HA -0.331 3.846 4.170 0.011 0.000 0.254 117 I C 2.083 178.080 176.117 -0.200 0.000 1.156 117 I CA 1.711 62.904 61.300 -0.179 0.000 1.433 117 I CB -0.436 37.543 38.000 -0.034 0.000 1.082 117 I HN 0.259 nan 8.210 nan 0.000 0.432 118 T N 0.911 115.365 114.554 -0.167 0.000 2.770 118 T HA -0.015 4.342 4.350 0.011 0.000 0.258 118 T C 1.922 176.501 174.700 -0.202 0.000 1.039 118 T CA 1.105 63.119 62.100 -0.144 0.000 1.143 118 T CB -0.145 68.662 68.868 -0.102 0.000 0.866 118 T HN 0.200 nan 8.240 nan 0.000 0.428 119 I N 1.016 121.433 120.570 -0.254 0.000 2.118 119 I HA -0.213 3.964 4.170 0.011 0.000 0.241 119 I C 2.772 178.691 176.117 -0.330 0.000 1.070 119 I CA 1.332 62.468 61.300 -0.274 0.000 1.327 119 I CB -0.442 37.387 38.000 -0.285 0.000 1.034 119 I HN 0.131 nan 8.210 nan 0.000 0.405 120 K N 0.877 120.970 120.400 -0.513 0.000 1.984 120 K HA -0.149 4.177 4.320 0.011 0.000 0.209 120 K C 2.176 178.610 176.600 -0.277 0.000 1.046 120 K CA 2.185 58.191 56.287 -0.468 0.000 0.934 120 K CB -0.432 31.640 32.500 -0.712 0.000 0.717 120 K HN 0.208 nan 8.250 nan 0.000 0.438 121 T N 0.606 115.012 114.554 -0.246 0.000 2.665 121 T HA -0.173 4.184 4.350 0.011 0.000 0.268 121 T C 1.899 176.517 174.700 -0.137 0.000 1.035 121 T CA 2.505 64.503 62.100 -0.171 0.000 1.151 121 T CB -0.565 68.221 68.868 -0.136 0.000 0.862 121 T HN 0.631 nan 8.240 nan 0.000 0.438 122 T N 0.826 115.300 114.554 -0.133 0.000 2.904 122 T HA -0.014 4.342 4.350 0.011 0.000 0.267 122 T C 1.962 176.603 174.700 -0.098 0.000 1.059 122 T CA 0.721 62.760 62.100 -0.102 0.000 1.137 122 T CB -0.521 68.290 68.868 -0.095 0.000 0.879 122 T HN 0.146 nan 8.240 nan 0.000 0.467 123 L N 1.260 122.409 121.223 -0.124 0.000 2.187 123 L HA 0.190 4.537 4.340 0.011 0.000 0.213 123 L C 2.643 179.465 176.870 -0.081 0.000 1.100 123 L CA 1.501 56.278 54.840 -0.105 0.000 0.765 123 L CB -1.149 40.829 42.059 -0.135 0.000 0.904 123 L HN 0.458 nan 8.230 nan 0.000 0.437 124 A N -1.781 120.983 122.820 -0.093 0.000 1.831 124 A HA -0.162 4.165 4.320 0.011 0.000 0.213 124 A C 2.366 179.917 177.584 -0.055 0.000 1.223 124 A CA 1.178 53.170 52.037 -0.075 0.000 0.604 124 A CB -1.412 17.533 19.000 -0.092 0.000 0.878 124 A HN 0.495 nan 8.150 nan 0.000 0.450 125 C N -0.832 118.432 119.300 -0.061 0.000 2.366 125 C HA -0.226 4.240 4.460 0.011 0.000 0.271 125 C C 2.602 177.574 174.990 -0.030 0.000 1.152 125 C CA 1.529 60.519 59.018 -0.046 0.000 1.809 125 C CB -1.671 26.039 27.740 -0.050 0.000 2.107 125 C HN 0.584 nan 8.230 nan 0.000 0.455 126 L N 0.875 122.082 121.223 -0.028 0.000 2.027 126 L HA -0.088 4.258 4.340 0.011 0.000 0.206 126 L C 2.857 179.729 176.870 0.003 0.000 1.074 126 L CA 2.626 57.460 54.840 -0.010 0.000 0.745 126 L CB -1.356 40.699 42.059 -0.007 0.000 0.898 126 L HN 0.538 nan 8.230 nan 0.000 0.433 127 T N -5.065 109.491 114.554 0.004 0.000 3.055 127 T HA 0.007 4.363 4.350 0.011 0.000 0.265 127 T C 1.803 176.515 174.700 0.019 0.000 1.111 127 T CA 1.006 63.120 62.100 0.024 0.000 1.118 127 T CB -0.153 68.734 68.868 0.032 0.000 0.909 127 T HN 0.158 nan 8.240 nan 0.000 0.501 128 S N 1.654 117.355 115.700 0.001 0.000 2.288 128 S HA 0.600 5.076 4.470 0.011 0.000 0.191 128 S C 1.517 176.118 174.600 0.002 0.000 1.028 128 S CA 0.155 58.355 58.200 -0.001 0.000 1.030 128 S CB -0.619 62.572 63.200 -0.015 0.000 0.932 128 S HN 0.792 nan 8.310 nan 0.000 0.463 129 A N 0.900 123.716 122.820 -0.007 0.000 2.621 129 A HA 0.500 4.826 4.320 0.011 0.000 0.267 129 A C 0.482 178.062 177.584 -0.007 0.000 1.506 129 A CA -0.060 51.973 52.037 -0.007 0.000 0.873 129 A CB -0.113 18.879 19.000 -0.012 0.000 1.577 129 A HN 0.406 nan 8.150 nan 0.000 0.536 130 D N -1.500 118.893 120.400 -0.010 0.000 2.469 130 D HA 0.006 4.652 4.640 0.011 0.000 0.215 130 D C 0.327 176.615 176.300 -0.021 0.000 1.154 130 D CA -0.087 53.905 54.000 -0.014 0.000 0.832 130 D CB -0.445 40.346 40.800 -0.014 0.000 1.008 130 D HN 0.554 nan 8.370 nan 0.000 0.506 131 N N 0.401 119.088 118.700 -0.020 0.000 2.683 131 N HA -0.048 4.698 4.740 0.011 0.000 0.256 131 N C 0.323 175.818 175.510 -0.025 0.000 1.270 131 N CA 0.095 53.131 53.050 -0.024 0.000 0.954 131 N CB -0.003 38.471 38.487 -0.023 0.000 1.289 131 N HN 0.025 nan 8.380 nan 0.000 0.508 132 T N -1.727 112.813 114.554 -0.024 0.000 3.722 132 T HA -0.039 4.317 4.350 0.011 0.000 0.247 132 T C 0.707 175.394 174.700 -0.022 0.000 1.004 132 T CA -0.561 61.527 62.100 -0.021 0.000 0.947 132 T CB -0.843 68.018 68.868 -0.013 0.000 1.114 132 T HN 0.177 nan 8.240 nan 0.000 0.633 133 T N -0.826 113.712 114.554 -0.026 0.000 2.780 133 T HA 0.338 4.695 4.350 0.011 0.000 0.294 133 T C 1.661 176.346 174.700 -0.024 0.000 0.949 133 T CA -0.374 61.711 62.100 -0.025 0.000 1.074 133 T CB 1.378 70.230 68.868 -0.027 0.000 0.910 133 T HN 0.430 nan 8.240 nan 0.000 0.501 134 V N 1.572 121.473 119.914 -0.021 0.000 2.909 134 V HA -0.232 3.895 4.120 0.011 0.000 0.265 134 V C 1.958 178.032 176.094 -0.033 0.000 1.128 134 V CA 1.470 63.755 62.300 -0.026 0.000 1.149 134 V CB -1.314 30.495 31.823 -0.022 0.000 0.725 134 V HN 0.924 nan 8.190 nan 0.000 0.511 135 Q N 0.550 120.331 119.800 -0.031 0.000 2.250 135 Q HA 0.329 4.675 4.340 0.011 0.000 0.200 135 Q C 2.393 178.375 176.000 -0.030 0.000 0.941 135 Q CA 1.323 57.105 55.803 -0.035 0.000 0.872 135 Q CB -0.236 28.483 28.738 -0.032 0.000 0.965 135 Q HN 0.742 nan 8.270 nan 0.000 0.480 136 A N 0.058 122.862 122.820 -0.028 0.000 1.935 136 A HA -0.022 4.304 4.320 0.011 0.000 0.214 136 A C 2.207 179.773 177.584 -0.030 0.000 1.178 136 A CA 0.638 52.659 52.037 -0.027 0.000 0.640 136 A CB -0.359 18.625 19.000 -0.026 0.000 0.825 136 A HN 0.166 nan 8.150 nan 0.000 0.447 137 V N 0.168 120.063 119.914 -0.032 0.000 2.307 137 V HA -0.225 3.902 4.120 0.011 0.000 0.245 137 V C 3.064 179.137 176.094 -0.035 0.000 1.045 137 V CA 1.881 64.159 62.300 -0.037 0.000 1.024 137 V CB -1.229 30.571 31.823 -0.039 0.000 0.651 137 V HN 0.571 nan 8.190 nan 0.000 0.449 138 A N -0.646 122.155 122.820 -0.032 0.000 1.940 138 A HA -0.262 4.064 4.320 0.011 0.000 0.219 138 A C 2.549 180.127 177.584 -0.010 0.000 1.176 138 A CA 2.349 54.371 52.037 -0.026 0.000 0.631 138 A CB -0.729 18.250 19.000 -0.035 0.000 0.814 138 A HN 0.493 nan 8.150 nan 0.000 0.446 139 S N -0.783 114.910 115.700 -0.012 0.000 2.387 139 S HA 0.068 4.545 4.470 0.011 0.000 0.226 139 S C 2.143 176.741 174.600 -0.003 0.000 1.026 139 S CA 1.325 59.526 58.200 0.002 0.000 0.972 139 S CB -0.435 62.763 63.200 -0.005 0.000 0.814 139 S HN 0.785 nan 8.310 nan 0.000 0.477 140 A N 1.361 124.168 122.820 -0.022 0.000 1.858 140 A HA -0.000 4.326 4.320 0.011 0.000 0.216 140 A C 2.007 179.572 177.584 -0.032 0.000 1.190 140 A CA 1.623 53.638 52.037 -0.037 0.000 0.617 140 A CB -0.834 18.134 19.000 -0.053 0.000 0.827 140 A HN 0.569 nan 8.150 nan 0.000 0.443 141 I N 0.095 120.650 120.570 -0.025 0.000 2.113 141 I HA -0.188 3.989 4.170 0.011 0.000 0.238 141 I C 2.755 178.891 176.117 0.031 0.000 1.070 141 I CA 1.547 62.838 61.300 -0.014 0.000 1.332 141 I CB -0.818 37.172 38.000 -0.017 0.000 1.044 141 I HN 0.336 nan 8.210 nan 0.000 0.402 142 G N 0.493 109.330 108.800 0.061 0.000 2.469 142 G HA2 -0.245 3.722 3.960 0.011 0.000 0.220 142 G HA3 -0.245 3.722 3.960 0.011 0.000 0.220 142 G C 1.838 176.807 174.900 0.116 0.000 1.136 142 G CA 0.672 45.854 45.100 0.137 0.000 0.759 142 G HN 0.142 nan 8.290 nan 0.000 0.562 143 R N 0.607 121.133 120.500 0.043 0.000 2.073 143 R HA 0.127 4.473 4.340 0.011 0.000 0.229 143 R C 2.963 179.241 176.300 -0.037 0.000 1.120 143 R CA 1.228 57.325 56.100 -0.005 0.000 0.967 143 R CB -1.185 29.105 30.300 -0.018 0.000 0.862 143 R HN 0.348 nan 8.270 nan 0.000 0.436 144 A N 0.983 123.792 122.820 -0.020 0.000 1.898 144 A HA -0.119 4.208 4.320 0.011 0.000 0.216 144 A C 2.119 179.711 177.584 0.013 0.000 1.181 144 A CA 1.184 53.220 52.037 -0.002 0.000 0.620 144 A CB -0.385 18.603 19.000 -0.021 0.000 0.819 144 A HN 0.115 nan 8.150 nan 0.000 0.442 145 I N 0.100 120.682 120.570 0.019 0.000 2.286 145 I HA -0.210 3.967 4.170 0.011 0.000 0.248 145 I C 2.294 178.351 176.117 -0.100 0.000 1.115 145 I CA 1.759 63.087 61.300 0.047 0.000 1.392 145 I CB -0.553 37.552 38.000 0.175 0.000 1.065 145 I HN 0.565 nan 8.210 nan 0.000 0.418 146 E N 0.885 120.895 120.200 -0.316 0.000 2.015 146 E HA -0.262 4.095 4.350 0.011 0.000 0.191 146 E C 1.686 177.954 176.600 -0.554 0.000 0.991 146 E CA 1.805 57.717 56.400 -0.815 0.000 0.802 146 E CB -0.096 29.070 29.700 -0.889 0.000 0.759 146 E HN 0.467 nan 8.360 nan 0.000 0.447 147 D N 0.012 120.271 120.400 -0.235 0.000 2.158 147 D HA -0.206 4.440 4.640 0.011 0.000 0.197 147 D C 1.825 178.238 176.300 0.188 0.000 0.995 147 D CA 1.449 55.512 54.000 0.105 0.000 0.846 147 D CB -0.052 40.966 40.800 0.362 0.000 0.941 147 D HN 0.186 nan 8.370 nan 0.000 0.456 148 E N 0.496 120.725 120.200 0.048 0.000 2.072 148 E HA -0.071 4.285 4.350 0.011 0.000 0.191 148 E C 1.878 178.392 176.600 -0.144 0.000 0.985 148 E CA 1.325 57.701 56.400 -0.040 0.000 0.801 148 E CB -0.381 29.320 29.700 0.002 0.000 0.750 148 E HN 0.204 nan 8.360 nan 0.000 0.452 149 A N 1.062 123.767 122.820 -0.191 0.000 1.877 149 A HA -0.189 4.138 4.320 0.011 0.000 0.216 149 A C 2.335 179.642 177.584 -0.462 0.000 1.186 149 A CA 1.867 53.799 52.037 -0.175 0.000 0.620 149 A CB -0.675 18.346 19.000 0.034 0.000 0.822 149 A HN 0.282 nan 8.150 nan 0.000 0.443 150 R N -1.209 118.622 120.500 -1.116 0.000 2.070 150 R HA -0.119 4.228 4.340 0.011 0.000 0.232 150 R C 1.452 177.162 176.300 -0.983 0.000 1.138 150 R CA 2.102 57.164 56.100 -1.731 0.000 0.936 150 R CB -0.424 28.299 30.300 -2.628 0.000 0.839 150 R HN 0.485 nan 8.270 nan 0.000 0.429 151 F N -0.397 119.319 119.950 -0.390 0.000 2.797 151 F HA 0.258 4.792 4.527 0.011 0.000 0.302 151 F C 1.978 177.605 175.800 -0.288 0.000 1.130 151 F CA 0.255 58.112 58.000 -0.238 0.000 1.387 151 F CB 0.364 39.315 39.000 -0.081 0.000 1.107 151 F HN 0.231 nan 8.300 nan 0.000 0.577 152 G N 1.055 109.743 108.800 -0.187 0.000 2.426 152 G HA2 -0.129 3.838 3.960 0.011 0.000 0.214 152 G HA3 -0.129 3.838 3.960 0.011 0.000 0.214 152 G C 1.795 176.587 174.900 -0.179 0.000 1.156 152 G CA 0.245 45.225 45.100 -0.201 0.000 0.802 152 G HN 0.352 nan 8.290 nan 0.000 0.534 153 R N 1.042 121.467 120.500 -0.126 0.000 2.096 153 R HA -0.011 4.336 4.340 0.011 0.000 0.235 153 R C 2.340 178.595 176.300 -0.076 0.000 1.127 153 R CA 1.504 57.561 56.100 -0.070 0.000 0.968 153 R CB -1.000 29.297 30.300 -0.006 0.000 0.861 153 R HN 0.511 nan 8.270 nan 0.000 0.440 154 I N -1.442 119.082 120.570 -0.076 0.000 3.454 154 I HA 0.055 4.231 4.170 0.011 0.000 0.297 154 I C 1.849 177.891 176.117 -0.125 0.000 1.298 154 I CA 0.618 61.902 61.300 -0.027 0.000 1.297 154 I CB -0.039 37.992 38.000 0.051 0.000 1.017 154 I HN 0.173 nan 8.210 nan 0.000 0.528 155 R N 0.536 120.867 120.500 -0.281 0.000 2.756 155 R HA 0.045 4.391 4.340 0.011 0.000 0.170 155 R C 1.161 177.298 176.300 -0.272 0.000 0.800 155 R CA 0.497 56.260 56.100 -0.561 0.000 1.052 155 R CB 0.145 29.855 30.300 -0.984 0.000 1.437 155 R HN 0.303 nan 8.270 nan 0.000 0.607 156 D N 1.350 121.633 120.400 -0.194 0.000 2.149 156 D HA -0.053 4.594 4.640 0.011 0.000 0.206 156 D C 1.016 177.284 176.300 -0.053 0.000 0.967 156 D CA 0.365 54.303 54.000 -0.104 0.000 0.848 156 D CB 0.055 40.804 40.800 -0.085 0.000 0.998 156 D HN 0.028 nan 8.370 nan 0.000 0.474 157 L N 2.216 123.412 121.223 -0.044 0.000 2.468 157 L HA 0.011 4.357 4.340 0.011 0.000 0.253 157 L C 0.326 177.197 176.870 0.001 0.000 1.237 157 L CA -0.370 54.463 54.840 -0.012 0.000 0.823 157 L CB 0.057 42.117 42.059 0.002 0.000 1.124 157 L HN 0.072 nan 8.230 nan 0.000 0.504 158 E N 1.541 121.749 120.200 0.014 0.000 3.160 158 E HA 0.134 4.490 4.350 0.011 0.000 0.219 158 E C -0.538 176.089 176.600 0.046 0.000 1.126 158 E CA 0.675 57.091 56.400 0.026 0.000 0.915 158 E CB -1.012 28.701 29.700 0.022 0.000 0.985 158 E HN 0.725 nan 8.360 nan 0.000 0.536 159 A N 3.347 126.205 122.820 0.063 0.000 2.664 159 A HA 0.233 4.559 4.320 0.011 0.000 0.300 159 A C 0.016 177.696 177.584 0.160 0.000 1.210 159 A CA -0.797 51.314 52.037 0.123 0.000 0.863 159 A CB 0.994 20.056 19.000 0.104 0.000 1.464 159 A HN 0.267 nan 8.150 nan 0.000 0.438 160 K N 0.288 120.787 120.400 0.165 0.000 2.354 160 K HA 0.100 4.427 4.320 0.011 0.000 0.194 160 K C 1.265 177.966 176.600 0.168 0.000 1.045 160 K CA 1.161 57.537 56.287 0.148 0.000 1.026 160 K CB -0.356 32.199 32.500 0.091 0.000 0.866 160 K HN 0.825 nan 8.250 nan 0.000 0.530 161 H N -0.679 118.450 119.070 0.099 0.000 2.492 161 H HA -0.120 4.443 4.556 0.011 0.000 0.296 161 H C 1.467 176.856 175.328 0.101 0.000 1.095 161 H CA 1.922 58.017 56.048 0.078 0.000 1.281 161 H CB -0.222 29.584 29.762 0.072 0.000 1.374 161 H HN 0.274 nan 8.280 nan 0.000 0.545 162 F N 1.446 121.384 119.950 -0.020 0.000 2.084 162 F HA -0.024 4.510 4.527 0.011 0.000 0.296 162 F C 1.790 177.548 175.800 -0.071 0.000 1.111 162 F CA 1.277 59.244 58.000 -0.055 0.000 1.224 162 F CB -0.099 38.904 39.000 0.005 0.000 0.991 162 F HN 0.013 nan 8.300 nan 0.000 0.471 163 K N 0.351 120.742 120.400 -0.014 0.000 2.643 163 K HA -0.104 4.222 4.320 0.011 0.000 0.193 163 K C 1.254 177.756 176.600 -0.163 0.000 1.027 163 K CA 0.543 56.756 56.287 -0.123 0.000 1.033 163 K CB 0.030 32.557 32.500 0.044 0.000 0.827 163 K HN 0.378 nan 8.250 nan 0.000 0.500 164 K N 0.022 120.299 120.400 -0.204 0.000 2.537 164 K HA 0.076 4.403 4.320 0.011 0.000 0.216 164 K C 0.631 177.091 176.600 -0.233 0.000 1.349 164 K CA 0.125 56.309 56.287 -0.171 0.000 0.841 164 K CB 0.460 32.900 32.500 -0.099 0.000 1.659 164 K HN -0.070 nan 8.250 nan 0.000 0.435 165 N N -0.016 118.452 118.700 -0.387 0.000 2.280 165 N HA 0.066 4.813 4.740 0.011 0.000 0.192 165 N C 0.124 175.461 175.510 -0.288 0.000 1.109 165 N CA 0.272 53.104 53.050 -0.364 0.000 0.855 165 N CB 1.478 39.643 38.487 -0.536 0.000 0.974 165 N HN -0.003 nan 8.380 nan 0.000 0.482 166 V N -1.499 118.206 119.914 -0.349 0.000 3.400 166 V HA 0.136 4.262 4.120 0.011 0.000 0.281 166 V C 1.477 177.273 176.094 -0.496 0.000 1.617 166 V CA -0.142 62.016 62.300 -0.237 0.000 1.044 166 V CB 0.584 32.366 31.823 -0.069 0.000 0.858 166 V HN 0.142 nan 8.190 nan 0.000 0.425 167 E N 1.441 121.169 120.200 -0.787 0.000 2.042 167 E HA -0.155 4.201 4.350 0.011 0.000 0.189 167 E C 2.006 178.393 176.600 -0.354 0.000 0.974 167 E CA 1.217 57.099 56.400 -0.863 0.000 0.806 167 E CB 0.256 29.471 29.700 -0.809 0.000 0.769 167 E HN 0.638 nan 8.360 nan 0.000 0.451 168 E N -0.209 119.838 120.200 -0.256 0.000 2.150 168 E HA -0.200 4.157 4.350 0.011 0.000 0.193 168 E C 1.878 178.383 176.600 -0.158 0.000 0.985 168 E CA 0.968 57.270 56.400 -0.164 0.000 0.814 168 E CB 0.206 29.829 29.700 -0.127 0.000 0.752 168 E HN 0.184 nan 8.360 nan 0.000 0.466 169 Q N 0.092 119.803 119.800 -0.148 0.000 2.436 169 Q HA -0.010 4.337 4.340 0.011 0.000 0.209 169 Q C 1.805 177.575 176.000 -0.385 0.000 0.965 169 Q CA 0.503 56.193 55.803 -0.189 0.000 0.910 169 Q CB 0.038 28.779 28.738 0.006 0.000 0.980 169 Q HN 0.315 nan 8.270 nan 0.000 0.491 170 L N -0.024 121.074 121.223 -0.207 0.000 2.127 170 L HA -0.061 4.286 4.340 0.011 0.000 0.203 170 L C 1.185 177.954 176.870 -0.167 0.000 1.080 170 L CA 0.630 55.376 54.840 -0.157 0.000 0.768 170 L CB -0.079 42.013 42.059 0.054 0.000 0.924 170 L HN 0.275 nan 8.230 nan 0.000 0.444 171 N N 0.250 118.869 118.700 -0.135 0.000 2.348 171 N HA -0.191 4.556 4.740 0.011 0.000 0.185 171 N C 1.577 176.996 175.510 -0.152 0.000 1.019 171 N CA 0.953 53.935 53.050 -0.113 0.000 0.880 171 N CB -0.098 38.333 38.487 -0.093 0.000 0.965 171 N HN 0.187 nan 8.380 nan 0.000 0.437 172 K N 0.859 121.131 120.400 -0.213 0.000 1.991 172 K HA 0.076 4.402 4.320 0.011 0.000 0.207 172 K C 0.374 176.810 176.600 -0.274 0.000 1.045 172 K CA 0.708 56.853 56.287 -0.236 0.000 0.937 172 K CB 0.030 32.369 32.500 -0.269 0.000 0.720 172 K HN 0.119 nan 8.250 nan 0.000 0.438 173 R N 1.312 121.605 120.500 -0.346 0.000 2.570 173 R HA 0.095 4.441 4.340 0.011 0.000 0.277 173 R C -0.114 176.069 176.300 -0.195 0.000 1.039 173 R CA -0.091 55.817 56.100 -0.320 0.000 1.065 173 R CB -0.194 29.910 30.300 -0.326 0.000 0.964 173 R HN 0.040 nan 8.270 nan 0.000 0.428 174 V N -1.903 117.898 119.914 -0.187 0.000 2.656 174 V HA 0.902 5.029 4.120 0.011 0.000 0.307 174 V C 0.219 176.335 176.094 0.036 0.000 1.051 174 V CA -0.375 61.866 62.300 -0.098 0.000 0.893 174 V CB 1.544 33.289 31.823 -0.130 0.000 0.999 174 V HN 1.023 nan 8.190 nan 0.000 0.426 175 G N 2.828 111.609 108.800 -0.032 0.000 3.367 175 G HA2 -0.080 3.887 3.960 0.011 0.000 0.686 175 G HA3 -0.080 3.887 3.960 0.011 0.000 0.686 175 G C -0.018 174.844 174.900 -0.064 0.000 1.146 175 G CA -0.090 44.978 45.100 -0.054 0.000 0.913 175 G HN 1.249 nan 8.290 nan 0.000 0.554 176 H N 0.609 119.684 119.070 0.009 0.000 2.407 176 H HA -0.222 4.341 4.556 0.011 0.000 0.293 176 H C 2.712 177.931 175.328 -0.182 0.000 1.122 176 H CA 2.165 58.179 56.048 -0.056 0.000 1.232 176 H CB -0.222 29.501 29.762 -0.065 0.000 1.361 176 H HN 0.427 nan 8.280 nan 0.000 0.498 177 V N 0.253 120.122 119.914 -0.075 0.000 2.283 177 V HA -0.235 3.892 4.120 0.011 0.000 0.243 177 V C 2.176 178.121 176.094 -0.247 0.000 1.039 177 V CA 1.625 63.789 62.300 -0.227 0.000 1.016 177 V CB -0.940 30.683 31.823 -0.334 0.000 0.650 177 V HN 0.297 nan 8.190 nan 0.000 0.449 178 Y N 0.796 121.046 120.300 -0.082 0.000 2.145 178 Y HA -0.204 4.352 4.550 0.010 0.000 0.286 178 Y C 2.600 178.479 175.900 -0.034 0.000 1.145 178 Y CA 1.707 59.767 58.100 -0.067 0.000 1.148 178 Y CB -0.318 38.086 38.460 -0.093 0.000 0.981 178 Y HN 0.137 nan 8.280 nan 0.000 0.507 179 K N 0.362 120.842 120.400 0.134 0.000 2.152 179 K HA -0.233 4.093 4.320 0.011 0.000 0.206 179 K C 1.925 178.592 176.600 0.112 0.000 1.048 179 K CA 1.931 58.327 56.287 0.182 0.000 0.933 179 K CB -0.174 32.483 32.500 0.262 0.000 0.721 179 K HN 0.323 nan 8.250 nan 0.000 0.447 180 K N 0.769 121.033 120.400 -0.227 0.000 2.031 180 K HA 0.007 4.334 4.320 0.011 0.000 0.205 180 K C 1.956 178.380 176.600 -0.293 0.000 1.049 180 K CA 1.470 57.435 56.287 -0.536 0.000 0.939 180 K CB -0.568 31.499 32.500 -0.721 0.000 0.717 180 K HN -0.000 nan 8.250 nan 0.000 0.438 181 A N -0.196 122.543 122.820 -0.135 0.000 2.125 181 A HA -0.013 4.314 4.320 0.011 0.000 0.219 181 A C 1.897 179.514 177.584 0.055 0.000 1.156 181 A CA 1.136 53.147 52.037 -0.043 0.000 0.671 181 A CB -0.776 18.218 19.000 -0.010 0.000 0.794 181 A HN 0.509 nan 8.150 nan 0.000 0.459 182 F N -1.104 118.812 119.950 -0.058 0.000 2.530 182 F HA 0.133 4.667 4.527 0.011 0.000 0.292 182 F C 1.886 177.676 175.800 -0.017 0.000 1.109 182 F CA 0.829 58.821 58.000 -0.013 0.000 1.450 182 F CB 0.076 39.084 39.000 0.013 0.000 1.114 182 F HN 0.055 nan 8.300 nan 0.000 0.560 183 M N 0.082 119.597 119.600 -0.142 0.000 2.388 183 M HA -0.028 4.459 4.480 0.011 0.000 0.265 183 M C 1.937 178.137 176.300 -0.167 0.000 1.088 183 M CA 1.159 56.322 55.300 -0.229 0.000 1.134 183 M CB -1.200 31.241 32.600 -0.264 0.000 1.384 183 M HN 0.245 nan 8.290 nan 0.000 0.447 184 Q N -0.495 119.197 119.800 -0.180 0.000 2.170 184 Q HA -0.106 4.241 4.340 0.011 0.000 0.203 184 Q C 2.168 178.169 176.000 0.001 0.000 0.976 184 Q CA 1.199 57.017 55.803 0.024 0.000 0.858 184 Q CB -0.175 28.562 28.738 -0.001 0.000 0.907 184 Q HN 0.297 nan 8.270 nan 0.000 0.433 185 V N -0.152 119.703 119.914 -0.097 0.000 2.255 185 V HA -0.227 3.900 4.120 0.011 0.000 0.243 185 V C 2.200 178.208 176.094 -0.144 0.000 1.038 185 V CA 1.466 63.697 62.300 -0.116 0.000 1.008 185 V CB -0.535 31.191 31.823 -0.162 0.000 0.645 185 V HN 0.179 nan 8.190 nan 0.000 0.449 186 V N 0.247 119.985 119.914 -0.293 0.000 2.282 186 V HA -0.382 3.744 4.120 0.011 0.000 0.249 186 V C 2.453 178.532 176.094 -0.025 0.000 1.057 186 V CA 2.569 64.752 62.300 -0.196 0.000 1.032 186 V CB -0.796 30.879 31.823 -0.247 0.000 0.645 186 V HN 0.729 nan 8.190 nan 0.000 0.447 187 E N 0.468 120.685 120.200 0.029 0.000 2.048 187 E HA -0.328 4.028 4.350 0.011 0.000 0.202 187 E C 2.213 178.852 176.600 0.064 0.000 1.021 187 E CA 1.904 58.362 56.400 0.096 0.000 0.825 187 E CB -0.353 29.461 29.700 0.190 0.000 0.756 187 E HN 0.561 nan 8.360 nan 0.000 0.454 188 A N 0.884 123.733 122.820 0.049 0.000 1.978 188 A HA -0.212 4.114 4.320 0.011 0.000 0.220 188 A C 1.736 179.337 177.584 0.029 0.000 1.170 188 A CA 1.962 54.023 52.037 0.040 0.000 0.636 188 A CB -0.345 18.675 19.000 0.033 0.000 0.810 188 A HN 0.380 nan 8.150 nan 0.000 0.448 189 D N -1.001 119.411 120.400 0.020 0.000 2.350 189 D HA 0.058 4.705 4.640 0.011 0.000 0.213 189 D C 1.342 177.653 176.300 0.017 0.000 1.031 189 D CA 0.229 54.240 54.000 0.019 0.000 0.861 189 D CB 0.014 40.825 40.800 0.018 0.000 0.926 189 D HN 0.347 nan 8.370 nan 0.000 0.520 190 M N 0.430 120.045 119.600 0.025 0.000 2.618 190 M HA 0.082 4.568 4.480 0.011 0.000 0.240 190 M C 1.740 178.042 176.300 0.003 0.000 1.123 190 M CA 0.440 55.747 55.300 0.012 0.000 1.060 190 M CB 0.046 32.676 32.600 0.050 0.000 1.535 190 M HN 0.062 nan 8.290 nan 0.000 0.507 191 L N -1.582 119.650 121.223 0.014 0.000 2.253 191 L HA 0.031 4.378 4.340 0.011 0.000 0.205 191 L C 2.315 179.188 176.870 0.006 0.000 1.078 191 L CA 0.393 55.242 54.840 0.015 0.000 0.805 191 L CB -0.765 41.310 42.059 0.026 0.000 0.963 191 L HN 0.141 nan 8.230 nan 0.000 0.459 192 S N 0.510 116.212 115.700 0.004 0.000 2.419 192 S HA -0.153 4.324 4.470 0.011 0.000 0.235 192 S C 1.829 176.423 174.600 -0.010 0.000 1.019 192 S CA 1.430 59.630 58.200 0.001 0.000 0.982 192 S CB -0.100 63.102 63.200 0.004 0.000 0.789 192 S HN 0.430 nan 8.310 nan 0.000 0.490 193 K N -0.250 120.135 120.400 -0.025 0.000 2.350 193 K HA 0.280 4.607 4.320 0.011 0.000 0.196 193 K C 0.844 177.424 176.600 -0.034 0.000 1.084 193 K CA 0.479 56.741 56.287 -0.042 0.000 0.967 193 K CB 0.328 32.775 32.500 -0.088 0.000 0.950 193 K HN 0.297 nan 8.250 nan 0.000 0.512 194 G N 2.865 111.651 108.800 -0.025 0.000 2.473 194 G HA2 -0.209 3.757 3.960 0.011 0.000 0.289 194 G HA3 -0.209 3.757 3.960 0.011 0.000 0.289 194 G C 0.256 175.146 174.900 -0.016 0.000 1.084 194 G CA 0.038 45.132 45.100 -0.010 0.000 1.215 194 G HN 0.144 nan 8.290 nan 0.000 0.527 195 L N 1.164 122.374 121.223 -0.022 0.000 1.973 195 L HA 0.139 4.486 4.340 0.011 0.000 0.208 195 L C 2.295 179.170 176.870 0.008 0.000 1.073 195 L CA 1.638 56.468 54.840 -0.017 0.000 0.746 195 L CB -0.294 41.757 42.059 -0.013 0.000 0.891 195 L HN 0.414 nan 8.230 nan 0.000 0.433 196 L N 0.578 121.815 121.223 0.023 0.000 2.855 196 L HA 0.201 4.548 4.340 0.011 0.000 0.257 196 L C 1.609 178.494 176.870 0.026 0.000 1.206 196 L CA 1.020 55.877 54.840 0.029 0.000 1.042 196 L CB -2.200 39.885 42.059 0.043 0.000 1.321 196 L HN 0.633 nan 8.230 nan 0.000 0.417 197 G N 0.659 109.469 108.800 0.016 0.000 5.347 197 G HA2 -0.271 3.695 3.960 0.011 0.000 0.299 197 G HA3 -0.271 3.695 3.960 0.011 0.000 0.299 197 G C 0.775 175.684 174.900 0.015 0.000 1.492 197 G CA 0.232 45.340 45.100 0.013 0.000 0.991 197 G HN 0.784 nan 8.290 nan 0.000 0.749 198 G N -0.319 108.494 108.800 0.022 0.000 4.755 198 G HA2 0.356 4.323 3.960 0.011 0.000 0.220 198 G HA3 0.356 4.323 3.960 0.011 0.000 0.220 198 G C -0.236 174.683 174.900 0.031 0.000 0.675 198 G CA 0.668 45.783 45.100 0.025 0.000 1.040 198 G HN 0.661 nan 8.290 nan 0.000 0.727 199 E N 1.772 121.995 120.200 0.038 0.000 1.802 199 E HA 0.459 4.816 4.350 0.011 0.000 0.265 199 E C 0.800 177.442 176.600 0.070 0.000 1.168 199 E CA -0.183 56.243 56.400 0.042 0.000 1.033 199 E CB 0.934 30.658 29.700 0.040 0.000 1.095 199 E HN 0.431 nan 8.360 nan 0.000 0.436 200 A N 4.044 126.903 122.820 0.065 0.000 2.522 200 A HA -0.104 4.222 4.320 0.011 0.000 0.256 200 A C 0.087 177.745 177.584 0.124 0.000 1.086 200 A CA -0.313 51.783 52.037 0.097 0.000 0.763 200 A CB 0.029 19.074 19.000 0.075 0.000 1.024 200 A HN 0.766 nan 8.150 nan 0.000 0.502 201 W N 4.279 125.567 121.300 -0.020 0.000 2.611 201 W HA 0.032 4.699 4.660 0.011 0.000 0.346 201 W C -0.731 175.801 176.519 0.022 0.000 1.365 201 W CA 0.594 57.924 57.345 -0.025 0.000 1.313 201 W CB 0.192 29.576 29.460 -0.127 0.000 1.351 201 W HN 0.625 nan 8.180 nan 0.000 0.576 202 S N 5.326 120.773 115.700 -0.421 0.000 2.455 202 S HA 0.007 4.484 4.470 0.011 0.000 0.278 202 S C 0.554 174.990 174.600 -0.273 0.000 1.216 202 S CA -0.277 57.776 58.200 -0.246 0.000 1.055 202 S CB 1.076 64.163 63.200 -0.189 0.000 0.939 202 S HN 0.537 nan 8.310 nan 0.000 0.494 203 S N 1.893 117.618 115.700 0.043 0.000 2.540 203 S HA -0.066 4.410 4.470 0.011 0.000 0.272 203 S C 0.527 175.337 174.600 0.351 0.000 1.357 203 S CA 0.273 58.610 58.200 0.229 0.000 1.011 203 S CB 0.111 63.425 63.200 0.190 0.000 0.852 203 S HN 0.797 nan 8.310 nan 0.000 0.535 204 W N 1.237 122.603 121.300 0.111 0.000 2.683 204 W HA 0.285 4.952 4.660 0.011 0.000 0.267 204 W C 0.540 177.114 176.519 0.093 0.000 1.243 204 W CA 0.867 58.234 57.345 0.036 0.000 1.380 204 W CB -0.757 28.692 29.460 -0.019 0.000 1.063 204 W HN 0.882 nan 8.180 nan 0.000 0.599 205 H N 0.809 119.998 119.070 0.200 0.000 3.955 205 H HA -0.158 4.405 4.556 0.011 0.000 0.349 205 H C 1.523 176.905 175.328 0.090 0.000 0.936 205 H CA 0.909 57.023 56.048 0.109 0.000 1.049 205 H CB -0.582 29.224 29.762 0.073 0.000 1.363 205 H HN 0.359 nan 8.280 nan 0.000 0.358 206 K N 2.814 123.285 120.400 0.119 0.000 2.277 206 K HA -0.325 4.002 4.320 0.011 0.000 0.206 206 K C 1.543 178.252 176.600 0.182 0.000 1.044 206 K CA 2.219 58.581 56.287 0.125 0.000 0.932 206 K CB -0.055 32.473 32.500 0.046 0.000 0.726 206 K HN 0.675 nan 8.250 nan 0.000 0.473 207 E N 1.359 121.745 120.200 0.310 0.000 2.017 207 E HA -0.223 4.133 4.350 0.011 0.000 0.193 207 E C 1.506 178.306 176.600 0.333 0.000 0.997 207 E CA 1.813 58.377 56.400 0.274 0.000 0.804 207 E CB -0.022 29.832 29.700 0.257 0.000 0.757 207 E HN 0.423 nan 8.360 nan 0.000 0.448 208 D N 0.228 120.764 120.400 0.226 0.000 2.144 208 D HA -0.115 4.532 4.640 0.011 0.000 0.199 208 D C 1.825 178.155 176.300 0.050 0.000 0.984 208 D CA 0.718 54.798 54.000 0.133 0.000 0.834 208 D CB -0.461 40.187 40.800 -0.253 0.000 0.955 208 D HN 0.040 nan 8.370 nan 0.000 0.465 209 S N -0.452 115.272 115.700 0.040 0.000 2.693 209 S HA -0.020 4.457 4.470 0.011 0.000 0.243 209 S C 1.466 176.124 174.600 0.098 0.000 0.973 209 S CA 0.222 58.494 58.200 0.120 0.000 0.969 209 S CB -0.364 62.951 63.200 0.192 0.000 0.771 209 S HN 0.218 nan 8.310 nan 0.000 0.542 210 I N -1.456 119.161 120.570 0.079 0.000 4.774 210 I HA 0.158 4.335 4.170 0.011 0.000 0.330 210 I C 1.282 177.372 176.117 -0.045 0.000 1.287 210 I CA -0.044 61.254 61.300 -0.003 0.000 1.311 210 I CB 0.063 38.027 38.000 -0.061 0.000 1.315 210 I HN 0.177 nan 8.210 nan 0.000 0.459 211 H N 0.341 119.426 119.070 0.024 0.000 2.428 211 H HA -0.019 4.544 4.556 0.011 0.000 0.296 211 H C 2.198 177.550 175.328 0.040 0.000 1.062 211 H CA 1.485 57.556 56.048 0.039 0.000 1.350 211 H CB 0.146 29.950 29.762 0.070 0.000 1.403 211 H HN 0.013 nan 8.280 nan 0.000 0.533 212 V N -0.134 119.880 119.914 0.167 0.000 2.255 212 V HA -0.155 3.971 4.120 0.011 0.000 0.243 212 V C 2.708 178.842 176.094 0.068 0.000 1.038 212 V CA 1.934 64.314 62.300 0.134 0.000 1.008 212 V CB -1.118 30.800 31.823 0.158 0.000 0.645 212 V HN 0.629 nan 8.190 nan 0.000 0.449 213 G N -0.159 108.676 108.800 0.058 0.000 2.503 213 G HA2 -0.245 3.721 3.960 0.011 0.000 0.221 213 G HA3 -0.245 3.721 3.960 0.011 0.000 0.221 213 G C 1.677 176.564 174.900 -0.022 0.000 1.131 213 G CA 1.433 46.543 45.100 0.015 0.000 0.756 213 G HN 0.357 nan 8.290 nan 0.000 0.572 214 V N 0.647 120.545 119.914 -0.027 0.000 2.307 214 V HA -0.145 3.981 4.120 0.011 0.000 0.245 214 V C 2.803 178.851 176.094 -0.077 0.000 1.045 214 V CA 2.215 64.484 62.300 -0.051 0.000 1.024 214 V CB -0.434 31.355 31.823 -0.056 0.000 0.651 214 V HN 0.374 nan 8.190 nan 0.000 0.449 215 R N 0.117 120.567 120.500 -0.084 0.000 2.080 215 R HA -0.188 4.159 4.340 0.011 0.000 0.236 215 R C 2.260 178.418 176.300 -0.238 0.000 1.137 215 R CA 2.607 58.586 56.100 -0.202 0.000 0.943 215 R CB -1.397 28.757 30.300 -0.244 0.000 0.846 215 R HN 0.547 nan 8.270 nan 0.000 0.431 216 C N 0.308 119.510 119.300 -0.163 0.000 2.398 216 C HA -0.123 4.344 4.460 0.011 0.000 0.276 216 C C 2.584 177.497 174.990 -0.129 0.000 1.222 216 C CA 0.676 59.608 59.018 -0.142 0.000 1.746 216 C CB -1.049 26.646 27.740 -0.075 0.000 2.039 216 C HN 0.504 nan 8.230 nan 0.000 0.470 217 I N 1.350 121.859 120.570 -0.102 0.000 2.118 217 I HA -0.215 3.962 4.170 0.011 0.000 0.241 217 I C 2.480 178.539 176.117 -0.097 0.000 1.070 217 I CA 1.835 63.082 61.300 -0.087 0.000 1.327 217 I CB -1.746 36.214 38.000 -0.067 0.000 1.034 217 I HN 0.544 nan 8.210 nan 0.000 0.405 218 E N 0.612 120.744 120.200 -0.113 0.000 2.049 218 E HA -0.244 4.113 4.350 0.011 0.000 0.198 218 E C 2.309 178.826 176.600 -0.138 0.000 1.007 218 E CA 1.466 57.796 56.400 -0.117 0.000 0.809 218 E CB -0.260 29.357 29.700 -0.139 0.000 0.749 218 E HN 0.475 nan 8.360 nan 0.000 0.450 219 M N 0.693 120.173 119.600 -0.200 0.000 2.080 219 M HA -0.186 4.301 4.480 0.011 0.000 0.260 219 M C 2.593 178.819 176.300 -0.123 0.000 1.068 219 M CA 1.324 56.504 55.300 -0.200 0.000 1.109 219 M CB -0.426 32.010 32.600 -0.272 0.000 1.342 219 M HN 0.177 nan 8.290 nan 0.000 0.405 220 L N 0.483 121.638 121.223 -0.114 0.000 2.012 220 L HA -0.259 4.088 4.340 0.011 0.000 0.210 220 L C 2.314 179.141 176.870 -0.071 0.000 1.073 220 L CA 1.433 56.218 54.840 -0.092 0.000 0.748 220 L CB -0.191 41.809 42.059 -0.098 0.000 0.891 220 L HN 0.230 nan 8.230 nan 0.000 0.431 221 I N 0.085 120.618 120.570 -0.063 0.000 2.315 221 I HA -0.259 3.917 4.170 0.011 0.000 0.248 221 I C 2.410 178.512 176.117 -0.025 0.000 1.117 221 I CA 1.241 62.519 61.300 -0.036 0.000 1.404 221 I CB -0.837 37.144 38.000 -0.032 0.000 1.071 221 I HN 0.269 nan 8.210 nan 0.000 0.419 222 E N 0.427 120.603 120.200 -0.040 0.000 2.031 222 E HA -0.189 4.168 4.350 0.011 0.000 0.193 222 E C 2.330 178.923 176.600 -0.012 0.000 0.994 222 E CA 1.852 58.236 56.400 -0.027 0.000 0.800 222 E CB -0.215 29.458 29.700 -0.045 0.000 0.752 222 E HN 0.584 nan 8.360 nan 0.000 0.447 223 S N -0.616 115.071 115.700 -0.022 0.000 2.406 223 S HA -0.059 4.417 4.470 0.011 0.000 0.228 223 S C 1.082 175.687 174.600 0.008 0.000 1.020 223 S CA 0.908 59.105 58.200 -0.006 0.000 0.965 223 S CB 0.316 63.507 63.200 -0.016 0.000 0.798 223 S HN 0.123 nan 8.310 nan 0.000 0.488 224 T N -0.312 114.241 114.554 -0.001 0.000 3.193 224 T HA 0.523 4.880 4.350 0.011 0.000 0.332 224 T C 0.297 175.019 174.700 0.037 0.000 1.208 224 T CA -0.127 61.989 62.100 0.026 0.000 1.080 224 T CB 1.238 70.095 68.868 -0.017 0.000 1.180 224 T HN 0.242 nan 8.240 nan 0.000 0.469 225 G N 3.476 112.356 108.800 0.132 0.000 3.229 225 G HA2 0.039 4.005 3.960 0.011 0.000 0.214 225 G HA3 0.039 4.005 3.960 0.011 0.000 0.214 225 G C 1.257 176.292 174.900 0.226 0.000 1.256 225 G CA 0.309 45.504 45.100 0.158 0.000 1.042 225 G HN 0.838 nan 8.290 nan 0.000 0.497 226 M N 0.087 119.684 119.600 -0.006 0.000 2.089 226 M HA -0.105 4.382 4.480 0.011 0.000 0.257 226 M C 1.172 177.467 176.300 -0.007 0.000 1.071 226 M CA 1.642 56.773 55.300 -0.281 0.000 1.096 226 M CB -0.005 32.349 32.600 -0.409 0.000 1.330 226 M HN 0.188 nan 8.290 nan 0.000 0.403 227 V N -2.811 117.100 119.914 -0.004 0.000 2.960 227 V HA 0.716 4.843 4.120 0.011 0.000 0.315 227 V C -0.656 175.458 176.094 0.032 0.000 1.087 227 V CA -0.841 61.470 62.300 0.019 0.000 0.982 227 V CB 1.756 33.570 31.823 -0.015 0.000 1.039 227 V HN 0.146 nan 8.190 nan 0.000 0.437 228 S N 2.148 117.869 115.700 0.035 0.000 2.521 228 S HA 0.678 5.154 4.470 0.011 0.000 0.295 228 S C -0.803 173.814 174.600 0.029 0.000 1.098 228 S CA -0.725 57.491 58.200 0.026 0.000 0.999 228 S CB 1.287 64.500 63.200 0.022 0.000 1.034 228 S HN 0.872 nan 8.310 nan 0.000 0.483 229 L N 5.597 126.832 121.223 0.018 0.000 2.342 229 L HA 0.270 4.617 4.340 0.011 0.000 0.285 229 L C 0.525 177.428 176.870 0.054 0.000 1.095 229 L CA -0.475 54.385 54.840 0.033 0.000 0.843 229 L CB 0.199 42.267 42.059 0.015 0.000 1.201 229 L HN 0.714 nan 8.230 nan 0.000 0.445 230 H N 6.258 125.326 119.070 -0.003 0.000 2.975 230 H HA 0.049 4.612 4.556 0.011 0.000 0.303 230 H C -0.139 175.187 175.328 -0.003 0.000 1.023 230 H CA -0.401 55.647 56.048 -0.001 0.000 1.473 230 H CB 0.451 30.213 29.762 -0.001 0.000 1.498 230 H HN 0.524 nan 8.280 nan 0.000 0.549 231 R N 4.285 124.849 120.500 0.107 0.000 2.480 231 R HA 0.121 4.467 4.340 0.011 0.000 0.303 231 R C 0.010 176.435 176.300 0.209 0.000 0.985 231 R CA -0.017 56.152 56.100 0.115 0.000 1.051 231 R CB 0.645 30.955 30.300 0.016 0.000 0.935 231 R HN 0.708 nan 8.270 nan 0.000 0.410 242 E N 0.241 120.436 120.200 -0.008 0.000 2.450 242 E HA 0.811 5.168 4.350 0.011 0.000 0.272 242 E C -0.884 175.711 176.600 -0.008 0.000 0.967 242 E CA -0.760 55.640 56.400 -0.000 0.000 0.818 242 E CB 1.365 31.078 29.700 0.021 0.000 1.401 242 E HN 0.685 nan 8.360 nan 0.000 0.450 243 T N -2.208 112.348 114.554 0.003 0.000 2.838 243 T HA 0.783 5.140 4.350 0.011 0.000 0.292 243 T C 0.176 174.901 174.700 0.042 0.000 1.113 243 T CA -0.857 61.242 62.100 -0.001 0.000 1.008 243 T CB 0.839 69.681 68.868 -0.044 0.000 1.259 243 T HN 0.630 nan 8.240 nan 0.000 0.520 244 I N -1.156 119.432 120.570 0.029 0.000 2.934 244 I HA 0.948 5.125 4.170 0.011 0.000 0.306 244 I C -1.483 174.661 176.117 0.044 0.000 1.110 244 I CA -1.433 59.892 61.300 0.042 0.000 1.019 244 I CB 2.362 40.368 38.000 0.011 0.000 1.227 244 I HN 0.898 nan 8.210 nan 0.000 0.434 245 E N 2.812 123.045 120.200 0.055 0.000 2.412 245 E HA 0.530 4.887 4.350 0.011 0.000 0.279 245 E C -1.394 175.237 176.600 0.052 0.000 0.984 245 E CA -0.964 55.468 56.400 0.055 0.000 0.788 245 E CB 1.476 31.227 29.700 0.085 0.000 1.277 245 E HN 0.658 nan 8.360 nan 0.000 0.455 246 L N 1.369 122.624 121.223 0.053 0.000 2.456 246 L HA 0.569 4.915 4.340 0.011 0.000 0.272 246 L C -0.105 176.825 176.870 0.100 0.000 1.189 246 L CA 0.206 55.088 54.840 0.069 0.000 0.846 246 L CB 0.423 42.523 42.059 0.069 0.000 1.111 246 L HN 0.785 nan 8.230 nan 0.000 0.475 247 A N 6.637 129.552 122.820 0.159 0.000 2.488 247 A HA 0.355 4.682 4.320 0.011 0.000 0.249 247 A C -1.649 176.012 177.584 0.128 0.000 1.083 247 A CA -0.750 51.392 52.037 0.174 0.000 0.768 247 A CB -0.458 18.750 19.000 0.348 0.000 1.017 247 A HN 0.824 nan 8.150 nan 0.000 0.496 248 P HA -0.189 nan 4.420 nan 0.000 0.214 248 P C 0.987 178.279 177.300 -0.015 0.000 1.163 248 P CA 1.660 64.771 63.100 0.019 0.000 0.889 248 P CB 0.153 31.851 31.700 -0.003 0.000 0.790 249 E N -1.971 118.167 120.200 -0.104 0.000 2.171 249 E HA -0.217 4.139 4.350 0.011 0.000 0.197 249 E C 1.852 178.332 176.600 -0.201 0.000 0.997 249 E CA 1.347 57.625 56.400 -0.203 0.000 0.810 249 E CB -0.793 28.694 29.700 -0.355 0.000 0.738 249 E HN 0.412 nan 8.360 nan 0.000 0.467 250 Y N -0.242 120.069 120.300 0.019 0.000 2.231 250 Y HA 0.077 4.633 4.550 0.010 0.000 0.294 250 Y C 2.276 178.197 175.900 0.034 0.000 1.120 250 Y CA 0.729 58.844 58.100 0.025 0.000 1.141 250 Y CB -0.840 37.633 38.460 0.021 0.000 1.022 250 Y HN 0.043 nan 8.280 nan 0.000 0.523 251 A N 0.649 123.580 122.820 0.184 0.000 1.883 251 A HA -0.226 4.101 4.320 0.011 0.000 0.217 251 A C 2.157 179.797 177.584 0.093 0.000 1.186 251 A CA 2.371 54.484 52.037 0.127 0.000 0.624 251 A CB -1.266 17.791 19.000 0.095 0.000 0.822 251 A HN 0.461 nan 8.150 nan 0.000 0.444 252 E N -0.481 119.753 120.200 0.058 0.000 2.401 252 E HA 0.144 4.501 4.350 0.011 0.000 0.199 252 E C 1.966 178.589 176.600 0.039 0.000 1.023 252 E CA 1.734 58.153 56.400 0.032 0.000 0.859 252 E CB -0.943 nan 29.700 nan 0.000 0.780 252 E HN 0.939 nan 8.360 nan 0.000 0.523 253 A N 0.298 123.159 122.820 0.068 0.000 1.861 253 A HA 0.206 4.532 4.320 0.011 0.000 0.212 253 A C 2.372 180.017 177.584 0.101 0.000 1.199 253 A CA 1.192 53.276 52.037 0.080 0.000 0.613 253 A CB -0.147 18.924 19.000 0.118 0.000 0.846 253 A HN 0.420 nan 8.150 nan 0.000 0.446 254 I N 0.604 121.255 120.570 0.134 0.000 2.264 254 I HA -0.255 3.921 4.170 0.011 0.000 0.248 254 I C 2.843 179.050 176.117 0.151 0.000 1.111 254 I CA 1.315 62.717 61.300 0.171 0.000 1.382 254 I CB -0.342 37.787 38.000 0.214 0.000 1.060 254 I HN 0.303 nan 8.210 nan 0.000 0.418 255 A N -0.233 122.642 122.820 0.092 0.000 1.933 255 A HA -0.209 4.118 4.320 0.011 0.000 0.218 255 A C 2.435 180.020 177.584 0.001 0.000 1.175 255 A CA 2.462 54.510 52.037 0.019 0.000 0.628 255 A CB -1.143 17.858 19.000 0.003 0.000 0.814 255 A HN 0.407 nan 8.150 nan 0.000 0.444 256 T N -0.948 113.618 114.554 0.020 0.000 2.737 256 T HA -0.101 4.256 4.350 0.011 0.000 0.265 256 T C 2.165 176.868 174.700 0.005 0.000 1.038 256 T CA 1.660 63.762 62.100 0.003 0.000 1.144 256 T CB -0.190 68.685 68.868 0.011 0.000 0.866 256 T HN 0.473 nan 8.240 nan 0.000 0.434 257 R N 1.722 122.247 120.500 0.042 0.000 2.081 257 R HA 0.132 4.479 4.340 0.011 0.000 0.235 257 R C 2.334 178.647 176.300 0.020 0.000 1.131 257 R CA 1.689 57.818 56.100 0.048 0.000 0.960 257 R CB -0.986 29.373 30.300 0.098 0.000 0.856 257 R HN 0.327 nan 8.270 nan 0.000 0.436 258 A N -0.584 122.278 122.820 0.070 0.000 1.972 258 A HA 0.005 4.332 4.320 0.011 0.000 0.219 258 A C 2.286 179.757 177.584 -0.188 0.000 1.169 258 A CA 1.593 53.660 52.037 0.051 0.000 0.635 258 A CB -1.156 17.960 19.000 0.193 0.000 0.810 258 A HN 0.523 nan 8.150 nan 0.000 0.446 259 G N -0.467 108.259 108.800 -0.122 0.000 2.414 259 G HA2 0.055 4.022 3.960 0.011 0.000 0.215 259 G HA3 0.055 4.022 3.960 0.011 0.000 0.215 259 G C 1.795 176.604 174.900 -0.152 0.000 1.188 259 G CA 1.333 46.350 45.100 -0.137 0.000 0.783 259 G HN 0.740 nan 8.290 nan 0.000 0.537 260 A N 0.493 123.247 122.820 -0.110 0.000 1.883 260 A HA 0.005 4.332 4.320 0.011 0.000 0.217 260 A C 2.375 179.882 177.584 -0.128 0.000 1.186 260 A CA 1.631 53.620 52.037 -0.081 0.000 0.624 260 A CB -0.610 18.366 19.000 -0.039 0.000 0.822 260 A HN 0.293 nan 8.150 nan 0.000 0.444 261 L N -0.423 120.665 121.223 -0.224 0.000 2.081 261 L HA -0.178 4.169 4.340 0.011 0.000 0.212 261 L C 2.671 179.223 176.870 -0.530 0.000 1.080 261 L CA 1.905 56.537 54.840 -0.347 0.000 0.754 261 L CB -0.775 41.018 42.059 -0.443 0.000 0.893 261 L HN 0.410 nan 8.230 nan 0.000 0.433 262 A N -1.551 120.858 122.820 -0.685 0.000 2.259 262 A HA 0.318 4.645 4.320 0.011 0.000 0.208 262 A C 1.898 179.478 177.584 -0.006 0.000 1.201 262 A CA 0.830 52.605 52.037 -0.436 0.000 0.824 262 A CB -0.780 18.021 19.000 -0.332 0.000 0.838 262 A HN 0.416 nan 8.150 nan 0.000 0.485 263 G N -0.509 108.323 108.800 0.054 0.000 3.228 263 G HA2 0.351 4.318 3.960 0.011 0.000 0.245 263 G HA3 0.351 4.318 3.960 0.011 0.000 0.245 263 G C 0.676 175.744 174.900 0.281 0.000 1.051 263 G CA 0.654 45.952 45.100 0.329 0.000 0.809 263 G HN 0.715 nan 8.290 nan 0.000 0.531 264 I N -2.473 118.164 120.570 0.112 0.000 3.947 264 I HA 0.478 4.655 4.170 0.011 0.000 0.327 264 I C 0.459 176.569 176.117 -0.013 0.000 1.519 264 I CA -0.489 60.874 61.300 0.105 0.000 1.122 264 I CB 1.242 39.293 38.000 0.084 0.000 1.146 264 I HN -0.090 nan 8.210 nan 0.000 0.442 265 S N 3.749 119.397 115.700 -0.086 0.000 2.143 265 S HA 0.503 4.980 4.470 0.011 0.000 0.188 265 S C -2.455 171.932 174.600 -0.355 0.000 1.431 265 S CA -1.207 56.906 58.200 -0.146 0.000 1.253 265 S CB -0.033 63.165 63.200 -0.003 0.000 1.137 265 S HN 0.229 nan 8.310 nan 0.000 0.457 266 P HA 0.233 nan 4.420 nan 0.000 0.277 266 P C -0.592 176.168 177.300 -0.901 0.000 1.240 266 P CA -0.473 62.001 63.100 -1.044 0.000 0.798 266 P CB 0.689 31.283 31.700 -1.842 0.000 0.979 267 M N 2.202 121.430 119.600 -0.620 0.000 2.754 267 M HA 0.237 4.724 4.480 0.011 0.000 0.327 267 M C -0.397 175.758 176.300 -0.241 0.000 1.288 267 M CA -0.677 54.414 55.300 -0.348 0.000 1.324 267 M CB -0.419 32.100 32.600 -0.135 0.000 1.169 267 M HN 0.167 nan 8.290 nan 0.000 0.494 268 F N 2.010 121.909 119.950 -0.084 0.000 2.635 268 F HA -0.022 4.512 4.527 0.012 0.000 0.379 268 F C 0.952 176.814 175.800 0.104 0.000 1.094 268 F CA 0.577 58.551 58.000 -0.044 0.000 1.300 268 F CB 0.137 39.175 39.000 0.063 0.000 1.035 268 F HN 0.462 nan 8.300 nan 0.000 0.581 269 Q N 4.135 124.129 119.800 0.324 0.000 2.496 269 Q HA 0.473 4.819 4.340 0.011 0.000 0.286 269 Q C -2.505 173.650 176.000 0.257 0.000 1.103 269 Q CA -2.243 53.744 55.803 0.307 0.000 0.813 269 Q CB 2.043 30.961 28.738 0.299 0.000 1.444 269 Q HN 0.269 nan 8.270 nan 0.000 0.443 270 P HA 0.087 nan 4.420 nan 0.000 0.273 270 P C -0.598 176.626 177.300 -0.127 0.000 1.250 270 P CA -0.244 62.714 63.100 -0.238 0.000 0.793 270 P CB 0.578 31.800 31.700 -0.796 0.000 1.011 271 C N -0.171 119.074 119.300 -0.093 0.000 2.335 271 C HA 0.297 4.764 4.460 0.011 0.000 0.363 271 C C 2.057 177.099 174.990 0.087 0.000 1.198 271 C CA -0.366 58.699 59.018 0.077 0.000 2.279 271 C CB 0.870 28.672 27.740 0.103 0.000 2.334 271 C HN 0.493 nan 8.230 nan 0.000 0.559 272 V N -0.158 119.844 119.914 0.146 0.000 3.578 272 V HA 0.275 4.402 4.120 0.011 0.000 0.290 272 V C 0.271 176.477 176.094 0.186 0.000 1.376 272 V CA 0.213 62.659 62.300 0.242 0.000 1.083 272 V CB -1.098 30.888 31.823 0.272 0.000 0.911 272 V HN 0.735 nan 8.190 nan 0.000 0.433 273 V N -4.831 114.974 119.914 -0.181 0.000 3.102 273 V HA 0.753 4.879 4.120 0.011 0.000 0.312 273 V C -3.062 172.215 176.094 -1.362 0.000 1.135 273 V CA -3.031 58.715 62.300 -0.924 0.000 1.022 273 V CB 1.539 32.812 31.823 -0.916 0.000 1.056 273 V HN -0.001 nan 8.190 nan 0.000 0.436 274 P HA 0.257 nan 4.420 nan 0.000 0.266 274 P C -2.641 174.336 177.300 -0.538 0.000 1.193 274 P CA -0.314 61.838 63.100 -1.580 0.000 0.770 274 P CB -0.220 30.924 31.700 -0.926 0.000 0.836 275 P HA 0.110 nan 4.420 nan 0.000 0.274 275 P C -0.503 176.538 177.300 -0.431 0.000 1.256 275 P CA -0.311 62.622 63.100 -0.278 0.000 0.795 275 P CB 0.425 31.972 31.700 -0.255 0.000 1.038 276 K N 2.485 122.277 120.400 -1.013 0.000 2.383 276 K HA 0.172 4.498 4.320 0.011 0.000 0.286 276 K C -2.256 173.877 176.600 -0.779 0.000 1.051 276 K CA -1.553 53.892 56.287 -1.402 0.000 0.974 276 K CB -0.472 30.926 32.500 -1.837 0.000 0.968 276 K HN 0.266 nan 8.250 nan 0.000 0.475 277 P HA -0.082 nan 4.420 nan 0.000 0.267 277 P C -1.198 175.975 177.300 -0.211 0.000 1.200 277 P CA 0.196 63.181 63.100 -0.192 0.000 0.772 277 P CB 0.335 32.008 31.700 -0.045 0.000 0.855 278 W N 1.422 122.720 121.300 -0.002 0.000 2.351 278 W HA 0.346 5.013 4.660 0.011 0.000 0.311 278 W C 1.131 177.704 176.519 0.089 0.000 1.168 278 W CA 0.261 57.660 57.345 0.089 0.000 1.200 278 W CB 0.714 30.296 29.460 0.204 0.000 1.221 278 W HN 0.365 nan 8.180 nan 0.000 0.519 279 T N -0.870 113.821 114.554 0.228 0.000 3.009 279 T HA 0.451 4.807 4.350 0.011 0.000 0.267 279 T C 0.474 175.144 174.700 -0.049 0.000 0.942 279 T CA 0.280 62.357 62.100 -0.037 0.000 0.883 279 T CB 0.104 68.956 68.868 -0.026 0.000 1.192 279 T HN 0.457 nan 8.240 nan 0.000 0.524 280 G N 1.428 110.385 108.800 0.263 0.000 2.975 280 G HA2 0.543 4.510 3.960 0.011 0.000 0.291 280 G HA3 0.543 4.510 3.960 0.011 0.000 0.291 280 G C 0.263 175.484 174.900 0.536 0.000 1.334 280 G CA -0.274 45.017 45.100 0.317 0.000 0.843 280 G HN 0.262 nan 8.290 nan 0.000 0.548 281 I N -0.894 119.902 120.570 0.377 0.000 3.578 281 I HA 0.234 4.410 4.170 0.011 0.000 0.295 281 I C 0.546 176.870 176.117 0.344 0.000 1.280 281 I CA 0.991 62.464 61.300 0.288 0.000 1.347 281 I CB -1.247 36.884 38.000 0.219 0.000 1.051 281 I HN 0.495 nan 8.210 nan 0.000 0.460 282 T N -3.432 111.372 114.554 0.417 0.000 2.843 282 T HA 0.658 5.015 4.350 0.011 0.000 0.302 282 T C 0.664 175.496 174.700 0.220 0.000 1.232 282 T CA 0.049 62.391 62.100 0.404 0.000 1.009 282 T CB 1.663 70.665 68.868 0.222 0.000 1.254 282 T HN 0.577 nan 8.240 nan 0.000 0.504 283 G N -0.087 108.730 108.800 0.028 0.000 2.241 283 G HA2 -0.032 3.935 3.960 0.011 0.000 0.244 283 G HA3 -0.032 3.935 3.960 0.011 0.000 0.244 283 G C 0.714 175.277 174.900 -0.561 0.000 0.998 283 G CA 0.313 45.307 45.100 -0.177 0.000 0.621 283 G HN 1.477 nan 8.290 nan 0.000 0.519 284 G N -1.212 106.840 108.800 -1.246 0.000 2.653 284 G HA2 0.575 4.541 3.960 0.011 0.000 0.265 284 G HA3 0.575 4.541 3.960 0.011 0.000 0.265 284 G C 1.507 175.429 174.900 -1.631 0.000 1.237 284 G CA 1.646 45.625 45.100 -1.869 0.000 0.946 284 G HN 1.903 nan 8.290 nan 0.000 0.522 285 G N -1.046 106.957 108.800 -1.328 0.000 4.951 285 G HA2 -0.260 3.707 3.960 0.011 0.000 0.295 285 G HA3 -0.260 3.707 3.960 0.011 0.000 0.295 285 G C 0.409 174.753 174.900 -0.926 0.000 1.540 285 G CA 0.561 45.106 45.100 -0.925 0.000 1.044 285 G HN 0.811 nan 8.290 nan 0.000 0.731 286 Y N 0.080 120.118 120.300 -0.437 0.000 2.316 286 Y HA 0.495 5.052 4.550 0.012 0.000 0.324 286 Y C 1.274 176.972 175.900 -0.338 0.000 1.267 286 Y CA -0.319 57.619 58.100 -0.270 0.000 1.311 286 Y CB 0.836 39.259 38.460 -0.062 0.000 1.267 286 Y HN 0.419 nan 8.280 nan 0.000 0.516 287 W N 0.448 121.808 121.300 0.099 0.000 2.588 287 W HA 0.283 4.949 4.660 0.010 0.000 0.277 287 W C 0.944 177.489 176.519 0.043 0.000 1.221 287 W CA 0.510 57.869 57.345 0.023 0.000 1.355 287 W CB -0.280 29.176 29.460 -0.007 0.000 1.083 287 W HN 0.479 nan 8.180 nan 0.000 0.581 288 A N 1.137 124.132 122.820 0.293 0.000 2.429 288 A HA 0.087 4.414 4.320 0.011 0.000 0.242 288 A C 0.168 177.840 177.584 0.147 0.000 1.088 288 A CA 0.117 52.271 52.037 0.195 0.000 0.784 288 A CB -0.058 19.044 19.000 0.169 0.000 1.038 288 A HN 0.292 nan 8.150 nan 0.000 0.501 289 N N 0.227 118.992 118.700 0.107 0.000 2.635 289 N HA 0.345 5.092 4.740 0.011 0.000 0.307 289 N C 0.707 176.253 175.510 0.060 0.000 1.433 289 N CA 0.477 53.576 53.050 0.083 0.000 0.973 289 N CB 0.802 39.333 38.487 0.072 0.000 1.304 289 N HN 0.839 nan 8.380 nan 0.000 0.507 290 G N 0.024 108.852 108.800 0.047 0.000 2.504 290 G HA2 0.053 4.020 3.960 0.011 0.000 0.291 290 G HA3 0.053 4.020 3.960 0.011 0.000 0.291 290 G C 1.372 176.271 174.900 -0.001 0.000 1.345 290 G CA 0.332 45.386 45.100 -0.076 0.000 1.090 290 G HN 0.434 nan 8.290 nan 0.000 0.591 291 R N -0.824 119.628 120.500 -0.080 0.000 2.066 291 R HA 0.042 4.389 4.340 0.011 0.000 0.232 291 R C 1.704 178.149 176.300 0.242 0.000 1.131 291 R CA 1.491 57.658 56.100 0.111 0.000 0.955 291 R CB -0.689 29.706 30.300 0.158 0.000 0.851 291 R HN 0.398 nan 8.270 nan 0.000 0.432 292 R N 1.475 122.226 120.500 0.419 0.000 3.436 292 R HA 0.266 4.612 4.340 0.011 0.000 0.247 292 R C -2.507 174.004 176.300 0.352 0.000 1.434 292 R CA -2.437 53.877 56.100 0.357 0.000 1.543 292 R CB 0.221 30.735 30.300 0.357 0.000 1.289 292 R HN 0.347 nan 8.270 nan 0.000 0.664 293 P HA -0.014 nan 4.420 nan 0.000 0.266 293 P C 0.076 177.494 177.300 0.196 0.000 1.195 293 P CA -0.235 62.980 63.100 0.192 0.000 0.768 293 P CB 0.641 32.424 31.700 0.140 0.000 0.838 294 L N 2.071 123.389 121.223 0.159 0.000 2.426 294 L HA 0.341 4.688 4.340 0.011 0.000 0.271 294 L C 0.573 177.674 176.870 0.385 0.000 1.169 294 L CA -0.006 54.966 54.840 0.220 0.000 0.836 294 L CB 0.026 42.183 42.059 0.163 0.000 1.112 294 L HN 0.423 nan 8.230 nan 0.000 0.465 295 A N 4.400 127.409 122.820 0.315 0.000 2.288 295 A HA 0.346 4.672 4.320 0.011 0.000 0.320 295 A C 0.962 178.526 177.584 -0.033 0.000 1.217 295 A CA -0.554 51.608 52.037 0.210 0.000 0.840 295 A CB 0.903 19.963 19.000 0.101 0.000 1.179 295 A HN 0.897 nan 8.150 nan 0.000 0.504 296 L N 2.240 123.268 121.223 -0.324 0.000 2.129 296 L HA -0.092 4.255 4.340 0.011 0.000 0.212 296 L C -0.084 176.457 176.870 -0.548 0.000 1.087 296 L CA 1.457 55.723 54.840 -0.957 0.000 0.757 296 L CB 0.032 41.625 42.059 -0.777 0.000 0.896 296 L HN 0.524 nan 8.230 nan 0.000 0.434 297 V N -0.175 119.548 119.914 -0.317 0.000 2.588 297 V HA 0.273 4.400 4.120 0.011 0.000 0.304 297 V C -0.039 175.995 176.094 -0.099 0.000 1.042 297 V CA -0.741 61.419 62.300 -0.233 0.000 0.877 297 V CB 1.795 33.403 31.823 -0.357 0.000 0.996 297 V HN 0.133 nan 8.190 nan 0.000 0.425 298 R N 2.343 122.805 120.500 -0.063 0.000 3.701 298 R HA 0.243 4.590 4.340 0.011 0.000 0.210 298 R C 0.545 176.774 176.300 -0.119 0.000 1.598 298 R CA -0.221 55.846 56.100 -0.055 0.000 1.427 298 R CB -0.152 30.118 30.300 -0.050 0.000 1.339 298 R HN 0.883 nan 8.270 nan 0.000 0.720 299 T N -1.616 112.878 114.554 -0.100 0.000 2.868 299 T HA 0.105 4.461 4.350 0.011 0.000 0.292 299 T C 0.272 174.791 174.700 -0.300 0.000 1.028 299 T CA -0.565 61.424 62.100 -0.184 0.000 1.059 299 T CB 1.146 70.002 68.868 -0.020 0.000 0.991 299 T HN 0.359 nan 8.240 nan 0.000 0.531 300 H N 0.946 119.978 119.070 -0.064 0.000 2.597 300 H HA 0.446 5.008 4.556 0.011 0.000 0.303 300 H C 0.086 175.374 175.328 -0.066 0.000 1.057 300 H CA -0.320 55.685 56.048 -0.071 0.000 1.261 300 H CB 0.287 29.967 29.762 -0.137 0.000 1.397 300 H HN 0.863 nan 8.280 nan 0.000 0.461 301 S N 2.092 117.834 115.700 0.069 0.000 3.392 301 S HA -0.173 4.303 4.470 0.011 0.000 0.693 301 S C 1.335 175.938 174.600 0.005 0.000 0.620 301 S CA 0.513 58.731 58.200 0.031 0.000 1.452 301 S CB -0.236 62.973 63.200 0.015 0.000 0.988 301 S HN 0.905 nan 8.310 nan 0.000 0.932 302 K N 3.299 123.708 120.400 0.015 0.000 2.602 302 K HA -0.410 3.916 4.320 0.011 0.000 0.205 302 K C 1.711 178.303 176.600 -0.013 0.000 0.668 302 K CA 2.556 58.850 56.287 0.013 0.000 0.845 302 K CB -0.388 32.123 32.500 0.018 0.000 0.262 302 K HN 0.653 nan 8.250 nan 0.000 1.061 303 K N -1.485 118.899 120.400 -0.028 0.000 3.328 303 K HA -0.374 3.952 4.320 0.011 0.000 0.192 303 K C 1.874 178.407 176.600 -0.113 0.000 0.851 303 K CA 2.485 58.731 56.287 -0.069 0.000 0.751 303 K CB -0.905 31.546 32.500 -0.081 0.000 1.790 303 K HN 0.568 nan 8.250 nan 0.000 0.575 304 A N 0.552 123.311 122.820 -0.102 0.000 1.929 304 A HA -0.051 4.275 4.320 0.011 0.000 0.216 304 A C 2.045 179.627 177.584 -0.003 0.000 1.176 304 A CA 1.380 53.339 52.037 -0.131 0.000 0.628 304 A CB -0.289 18.663 19.000 -0.080 0.000 0.816 304 A HN 0.283 nan 8.150 nan 0.000 0.444 305 L N -1.051 120.213 121.223 0.069 0.000 2.201 305 L HA -0.067 4.280 4.340 0.011 0.000 0.212 305 L C 2.024 178.990 176.870 0.160 0.000 1.105 305 L CA 1.671 56.615 54.840 0.175 0.000 0.775 305 L CB -0.419 41.700 42.059 0.100 0.000 0.913 305 L HN 0.260 nan 8.230 nan 0.000 0.440 306 M N -1.028 118.591 119.600 0.033 0.000 2.419 306 M HA -0.034 4.453 4.480 0.011 0.000 0.264 306 M C 2.163 178.417 176.300 -0.076 0.000 1.082 306 M CA 1.012 56.312 55.300 -0.000 0.000 1.119 306 M CB -0.928 31.651 32.600 -0.035 0.000 1.398 306 M HN 0.293 nan 8.290 nan 0.000 0.453 307 R N -0.678 119.680 120.500 -0.237 0.000 2.127 307 R HA -0.166 4.180 4.340 0.011 0.000 0.238 307 R C 1.679 177.786 176.300 -0.322 0.000 1.134 307 R CA 1.407 57.203 56.100 -0.506 0.000 0.975 307 R CB -0.555 29.034 30.300 -1.186 0.000 0.865 307 R HN 0.420 nan 8.270 nan 0.000 0.447 308 Y N 0.589 120.885 120.300 -0.007 0.000 2.583 308 Y HA -0.087 4.470 4.550 0.011 0.000 0.293 308 Y C 2.216 178.177 175.900 0.103 0.000 1.157 308 Y CA 0.324 58.479 58.100 0.092 0.000 1.315 308 Y CB -0.099 38.415 38.460 0.090 0.000 1.021 308 Y HN 0.054 nan 8.280 nan 0.000 0.536 309 E N 1.003 121.307 120.200 0.173 0.000 2.113 309 E HA -0.246 4.110 4.350 0.011 0.000 0.210 309 E C 0.532 177.223 176.600 0.150 0.000 1.040 309 E CA 2.138 58.623 56.400 0.143 0.000 0.847 309 E CB -0.138 29.606 29.700 0.073 0.000 0.755 309 E HN 0.295 nan 8.360 nan 0.000 0.459 310 D N -0.510 119.966 120.400 0.127 0.000 2.623 310 D HA 0.090 4.736 4.640 0.011 0.000 0.252 310 D C -0.816 175.587 176.300 0.173 0.000 1.294 310 D CA -0.164 53.917 54.000 0.135 0.000 0.824 310 D CB 0.646 41.498 40.800 0.088 0.000 1.070 310 D HN 0.069 nan 8.370 nan 0.000 0.487 311 V N 1.475 121.518 119.914 0.214 0.000 2.614 311 V HA 0.084 4.210 4.120 0.011 0.000 0.291 311 V C -0.790 175.486 176.094 0.304 0.000 1.049 311 V CA -0.359 62.085 62.300 0.240 0.000 1.038 311 V CB 0.906 32.872 31.823 0.238 0.000 0.980 311 V HN 0.096 nan 8.190 nan 0.000 0.481 312 Y N 8.648 129.037 120.300 0.148 0.000 2.504 312 Y HA 0.538 5.094 4.550 0.011 0.000 0.351 312 Y C 0.432 176.433 175.900 0.168 0.000 0.988 312 Y CA -0.857 57.330 58.100 0.145 0.000 1.239 312 Y CB 0.726 39.247 38.460 0.101 0.000 1.128 312 Y HN 0.744 nan 8.280 nan 0.000 0.525 313 M N 7.234 126.765 119.600 -0.114 0.000 3.093 313 M HA 0.337 4.824 4.480 0.011 0.000 0.336 313 M C -2.663 173.619 176.300 -0.030 0.000 1.637 313 M CA -1.533 53.727 55.300 -0.066 0.000 0.543 313 M CB 1.358 34.019 32.600 0.101 0.000 1.571 313 M HN 0.144 nan 8.290 nan 0.000 0.431 314 P HA -0.168 nan 4.420 nan 0.000 0.218 314 P C 0.797 178.106 177.300 0.015 0.000 1.148 314 P CA 1.582 64.605 63.100 -0.128 0.000 0.822 314 P CB 0.205 31.730 31.700 -0.291 0.000 0.784 315 E N -0.209 119.976 120.200 -0.025 0.000 2.152 315 E HA -0.055 4.302 4.350 0.011 0.000 0.192 315 E C 2.224 178.813 176.600 -0.018 0.000 0.983 315 E CA 0.648 57.047 56.400 -0.001 0.000 0.818 315 E CB -0.839 28.858 29.700 -0.005 0.000 0.758 315 E HN 0.154 nan 8.360 nan 0.000 0.467 316 V N 0.595 120.489 119.914 -0.032 0.000 2.358 316 V HA -0.248 3.878 4.120 0.011 0.000 0.246 316 V C 2.047 178.035 176.094 -0.178 0.000 1.047 316 V CA 1.531 63.752 62.300 -0.130 0.000 1.035 316 V CB -0.713 31.035 31.823 -0.125 0.000 0.658 316 V HN 0.175 nan 8.190 nan 0.000 0.452 317 Y N 0.767 121.027 120.300 -0.065 0.000 2.145 317 Y HA -0.168 4.388 4.550 0.011 0.000 0.286 317 Y C 2.561 178.445 175.900 -0.026 0.000 1.145 317 Y CA 1.595 59.672 58.100 -0.038 0.000 1.148 317 Y CB -0.378 38.084 38.460 0.005 0.000 0.981 317 Y HN 0.130 nan 8.280 nan 0.000 0.507 318 K N -0.284 120.198 120.400 0.137 0.000 2.113 318 K HA -0.233 4.093 4.320 0.011 0.000 0.208 318 K C 2.294 178.894 176.600 -0.001 0.000 1.047 318 K CA 1.188 57.520 56.287 0.077 0.000 0.928 318 K CB -0.408 32.132 32.500 0.067 0.000 0.716 318 K HN 0.319 nan 8.250 nan 0.000 0.446 319 A N 1.548 124.330 122.820 -0.063 0.000 1.841 319 A HA -0.134 4.192 4.320 0.011 0.000 0.214 319 A C 2.134 179.606 177.584 -0.187 0.000 1.195 319 A CA 1.258 53.200 52.037 -0.159 0.000 0.611 319 A CB -0.606 18.276 19.000 -0.197 0.000 0.835 319 A HN 0.165 nan 8.150 nan 0.000 0.443 320 I N 0.400 120.860 120.570 -0.183 0.000 2.315 320 I HA -0.315 3.861 4.170 0.011 0.000 0.251 320 I C 2.187 178.310 176.117 0.010 0.000 1.125 320 I CA 1.645 62.846 61.300 -0.166 0.000 1.392 320 I CB -0.489 37.345 38.000 -0.276 0.000 1.065 320 I HN 0.447 nan 8.210 nan 0.000 0.424 321 N N 0.293 119.030 118.700 0.062 0.000 2.173 321 N HA -0.077 4.670 4.740 0.011 0.000 0.184 321 N C 1.874 177.416 175.510 0.054 0.000 1.025 321 N CA 0.684 53.807 53.050 0.122 0.000 0.852 321 N CB 0.139 38.712 38.487 0.143 0.000 0.998 321 N HN 0.115 nan 8.380 nan 0.000 0.427 322 I N 1.716 122.264 120.570 -0.038 0.000 2.226 322 I HA -0.202 3.975 4.170 0.011 0.000 0.245 322 I C 2.466 178.565 176.117 -0.030 0.000 1.100 322 I CA 0.890 62.125 61.300 -0.109 0.000 1.374 322 I CB -1.508 36.334 38.000 -0.263 0.000 1.057 322 I HN 0.108 nan 8.210 nan 0.000 0.413 323 A N 1.374 124.126 122.820 -0.114 0.000 1.845 323 A HA -0.241 4.086 4.320 0.011 0.000 0.215 323 A C 2.144 179.808 177.584 0.132 0.000 1.195 323 A CA 1.878 53.825 52.037 -0.150 0.000 0.616 323 A CB -0.954 17.752 19.000 -0.490 0.000 0.832 323 A HN 0.664 nan 8.150 nan 0.000 0.443 324 Q N -0.985 118.991 119.800 0.293 0.000 2.515 324 Q HA -0.006 4.340 4.340 0.011 0.000 0.212 324 Q C 0.951 177.225 176.000 0.456 0.000 0.970 324 Q CA 1.203 57.365 55.803 0.598 0.000 0.941 324 Q CB -0.465 28.596 28.738 0.538 0.000 0.998 324 Q HN 0.546 nan 8.270 nan 0.000 0.518 325 N N 0.476 119.379 118.700 0.338 0.000 2.336 325 N HA 0.026 4.773 4.740 0.011 0.000 0.189 325 N C -0.749 175.035 175.510 0.456 0.000 1.113 325 N CA 0.134 53.390 53.050 0.342 0.000 0.858 325 N CB 0.466 39.061 38.487 0.180 0.000 0.970 325 N HN 0.103 nan 8.380 nan 0.000 0.471 326 T N 0.781 115.592 114.554 0.428 0.000 2.779 326 T HA 0.395 4.752 4.350 0.011 0.000 0.296 326 T C 0.028 174.782 174.700 0.091 0.000 0.938 326 T CA -0.413 61.836 62.100 0.247 0.000 1.119 326 T CB 0.855 69.891 68.868 0.281 0.000 0.891 326 T HN 0.205 nan 8.240 nan 0.000 0.526 327 A N 4.052 126.736 122.820 -0.226 0.000 2.366 327 A HA 0.616 4.942 4.320 0.011 0.000 0.272 327 A C -0.793 176.428 177.584 -0.604 0.000 1.135 327 A CA -0.635 50.934 52.037 -0.780 0.000 0.804 327 A CB 0.284 18.873 19.000 -0.685 0.000 1.064 327 A HN 0.857 nan 8.150 nan 0.000 0.499 328 W N 0.916 121.859 121.300 -0.594 0.000 2.850 328 W HA 0.674 5.340 4.660 0.011 0.000 0.349 328 W C 0.201 176.537 176.519 -0.304 0.000 1.133 328 W CA -0.323 56.845 57.345 -0.295 0.000 1.117 328 W CB 1.683 31.095 29.460 -0.079 0.000 1.442 328 W HN 0.765 nan 8.180 nan 0.000 0.575 329 K N 0.001 120.473 120.400 0.119 0.000 2.555 329 K HA 0.695 5.022 4.320 0.011 0.000 0.279 329 K C -1.301 175.391 176.600 0.153 0.000 0.986 329 K CA -0.949 55.376 56.287 0.064 0.000 0.880 329 K CB 1.419 33.917 32.500 -0.004 0.000 1.474 329 K HN 0.237 nan 8.250 nan 0.000 0.433 330 I N 1.784 122.445 120.570 0.152 0.000 2.696 330 I HA 0.060 4.237 4.170 0.011 0.000 0.284 330 I C 0.361 176.551 176.117 0.123 0.000 1.129 330 I CA -0.178 61.228 61.300 0.177 0.000 1.410 330 I CB 0.433 38.540 38.000 0.179 0.000 1.399 330 I HN 0.597 nan 8.210 nan 0.000 0.579 331 N N 5.401 124.178 118.700 0.129 0.000 2.521 331 N HA 0.103 4.850 4.740 0.011 0.000 0.236 331 N C 0.765 176.310 175.510 0.058 0.000 1.067 331 N CA 0.027 53.133 53.050 0.094 0.000 0.939 331 N CB 0.515 39.082 38.487 0.132 0.000 1.201 331 N HN 0.498 nan 8.380 nan 0.000 0.511 332 K N 2.532 122.940 120.400 0.014 0.000 1.991 332 K HA -0.160 4.166 4.320 0.011 0.000 0.212 332 K C 1.483 178.046 176.600 -0.063 0.000 1.049 332 K CA 1.541 57.817 56.287 -0.018 0.000 0.932 332 K CB 0.162 32.641 32.500 -0.036 0.000 0.717 332 K HN 0.459 nan 8.250 nan 0.000 0.441 333 K N 0.498 120.793 120.400 -0.175 0.000 2.089 333 K HA -0.179 4.148 4.320 0.011 0.000 0.210 333 K C 2.056 178.624 176.600 -0.053 0.000 1.048 333 K CA 1.660 57.729 56.287 -0.364 0.000 0.926 333 K CB -0.236 31.624 32.500 -1.066 0.000 0.714 333 K HN -0.024 nan 8.250 nan 0.000 0.448 334 V N 1.710 121.697 119.914 0.121 0.000 2.427 334 V HA -0.203 3.924 4.120 0.011 0.000 0.248 334 V C 2.156 178.327 176.094 0.128 0.000 1.051 334 V CA 1.313 63.752 62.300 0.233 0.000 1.048 334 V CB -0.352 31.613 31.823 0.236 0.000 0.666 334 V HN 0.348 nan 8.190 nan 0.000 0.456 335 L N 0.056 121.318 121.223 0.065 0.000 2.083 335 L HA -0.171 4.175 4.340 0.011 0.000 0.209 335 L C 2.591 179.479 176.870 0.030 0.000 1.083 335 L CA 1.614 56.471 54.840 0.027 0.000 0.752 335 L CB -0.498 41.572 42.059 0.018 0.000 0.899 335 L HN 0.377 nan 8.230 nan 0.000 0.433 336 A N -0.580 122.260 122.820 0.033 0.000 1.865 336 A HA -0.264 4.063 4.320 0.011 0.000 0.217 336 A C 2.313 179.941 177.584 0.074 0.000 1.191 336 A CA 2.265 54.325 52.037 0.038 0.000 0.623 336 A CB -1.152 17.856 19.000 0.013 0.000 0.826 336 A HN 0.393 nan 8.150 nan 0.000 0.444 337 V N -0.782 119.199 119.914 0.112 0.000 2.453 337 V HA 0.040 4.167 4.120 0.011 0.000 0.247 337 V C 2.567 178.748 176.094 0.145 0.000 1.048 337 V CA 2.051 64.433 62.300 0.138 0.000 1.049 337 V CB -0.765 31.154 31.823 0.159 0.000 0.672 337 V HN 0.607 nan 8.190 nan 0.000 0.457 338 A N 0.534 123.453 122.820 0.165 0.000 1.877 338 A HA -0.230 4.097 4.320 0.011 0.000 0.216 338 A C 2.074 179.669 177.584 0.019 0.000 1.186 338 A CA 2.057 54.152 52.037 0.096 0.000 0.620 338 A CB -1.006 17.923 19.000 -0.119 0.000 0.822 338 A HN 0.628 nan 8.150 nan 0.000 0.443 339 N N -0.024 118.682 118.700 0.010 0.000 2.094 339 N HA -0.177 4.569 4.740 0.011 0.000 0.191 339 N C 1.899 177.422 175.510 0.022 0.000 1.023 339 N CA 2.191 55.244 53.050 0.005 0.000 0.857 339 N CB -0.442 38.052 38.487 0.012 0.000 1.013 339 N HN 0.578 nan 8.380 nan 0.000 0.426 340 V N -0.988 118.942 119.914 0.028 0.000 2.436 340 V HA 0.145 4.272 4.120 0.011 0.000 0.240 340 V C 2.048 178.043 176.094 -0.166 0.000 1.040 340 V CA 0.602 62.929 62.300 0.045 0.000 1.052 340 V CB -0.711 31.201 31.823 0.150 0.000 0.707 340 V HN 0.124 nan 8.190 nan 0.000 0.469 341 I N 2.401 122.725 120.570 -0.409 0.000 2.623 341 I HA -0.211 3.966 4.170 0.011 0.000 0.261 341 I C 2.267 178.104 176.117 -0.466 0.000 1.204 341 I CA 2.065 62.776 61.300 -0.982 0.000 1.444 341 I CB -0.084 37.541 38.000 -0.626 0.000 1.094 341 I HN 0.722 nan 8.210 nan 0.000 0.451 342 T N -3.406 111.066 114.554 -0.137 0.000 3.129 342 T HA 0.089 4.445 4.350 0.011 0.000 0.251 342 T C 1.465 176.197 174.700 0.054 0.000 1.117 342 T CA -0.046 62.053 62.100 -0.002 0.000 1.034 342 T CB 0.018 68.901 68.868 0.025 0.000 0.968 342 T HN 0.134 nan 8.240 nan 0.000 0.526 343 K N -0.141 120.314 120.400 0.091 0.000 2.367 343 K HA 0.199 4.525 4.320 0.011 0.000 0.194 343 K C -0.062 176.737 176.600 0.332 0.000 1.027 343 K CA -0.315 56.083 56.287 0.186 0.000 1.075 343 K CB 0.028 32.644 32.500 0.192 0.000 0.845 343 K HN 0.409 nan 8.250 nan 0.000 0.529 344 W N 2.043 123.388 121.300 0.075 0.000 2.137 344 W HA 0.071 4.736 4.660 0.008 0.000 0.344 344 W C 1.455 178.001 176.519 0.045 0.000 1.286 344 W CA -0.636 56.751 57.345 0.071 0.000 1.240 344 W CB 0.307 29.824 29.460 0.094 0.000 1.141 344 W HN -0.103 nan 8.180 nan 0.000 0.579 345 K N 0.437 120.981 120.400 0.240 0.000 2.116 345 K HA -0.077 4.250 4.320 0.011 0.000 0.203 345 K C 0.515 177.138 176.600 0.037 0.000 1.052 345 K CA 1.265 57.607 56.287 0.092 0.000 0.952 345 K CB -0.210 32.315 32.500 0.042 0.000 0.729 345 K HN 0.190 nan 8.250 nan 0.000 0.446 346 H N -0.628 118.554 119.070 0.188 0.000 2.792 346 H HA 0.211 4.774 4.556 0.012 0.000 0.298 346 H C -1.172 174.335 175.328 0.299 0.000 1.042 346 H CA -1.155 54.998 56.048 0.174 0.000 1.300 346 H CB 0.715 30.538 29.762 0.100 0.000 1.431 346 H HN 0.078 nan 8.280 nan 0.000 0.496 347 C N 7.074 126.585 119.300 0.352 0.000 2.369 347 C HA 0.311 4.778 4.460 0.011 0.000 0.358 347 C C -0.653 174.431 174.990 0.157 0.000 1.274 347 C CA -1.503 57.666 59.018 0.251 0.000 1.935 347 C CB 0.389 28.203 27.740 0.123 0.000 2.431 347 C HN 0.671 nan 8.230 nan 0.000 0.545 348 P HA -0.011 nan 4.420 nan 0.000 0.225 348 P C 0.246 177.437 177.300 -0.182 0.000 1.156 348 P CA 0.806 63.864 63.100 -0.071 0.000 0.787 348 P CB -0.038 31.574 31.700 -0.147 0.000 0.802 349 V N 1.784 121.586 119.914 -0.187 0.000 2.530 349 V HA 0.132 4.258 4.120 0.011 0.000 0.282 349 V C 0.714 176.771 176.094 -0.061 0.000 1.048 349 V CA -0.325 61.864 62.300 -0.186 0.000 0.997 349 V CB 0.457 32.200 31.823 -0.133 0.000 0.987 349 V HN -0.054 nan 8.190 nan 0.000 0.477 350 E N 3.858 124.019 120.200 -0.065 0.000 2.324 350 E HA 0.110 4.467 4.350 0.011 0.000 0.271 350 E C 0.062 176.672 176.600 0.016 0.000 1.028 350 E CA 0.179 56.566 56.400 -0.021 0.000 0.890 350 E CB -0.044 29.632 29.700 -0.040 0.000 1.004 350 E HN 0.664 nan 8.360 nan 0.000 0.431 351 D N 3.697 124.113 120.400 0.027 0.000 2.828 351 D HA -0.181 4.466 4.640 0.011 0.000 0.241 351 D C -0.608 175.728 176.300 0.060 0.000 1.142 351 D CA 0.455 54.478 54.000 0.037 0.000 0.755 351 D CB -0.386 40.431 40.800 0.030 0.000 1.014 351 D HN 0.301 nan 8.370 nan 0.000 0.420 352 I N 1.124 121.736 120.570 0.070 0.000 2.833 352 I HA 0.177 4.353 4.170 0.011 0.000 0.286 352 I C -1.931 174.229 176.117 0.072 0.000 1.287 352 I CA -1.230 60.127 61.300 0.096 0.000 1.046 352 I CB 0.300 38.388 38.000 0.147 0.000 1.612 352 I HN -0.055 nan 8.210 nan 0.000 0.585 353 P HA -0.221 nan 4.420 nan 0.000 0.299 353 P C -0.669 176.652 177.300 0.035 0.000 1.962 353 P CA 0.518 63.642 63.100 0.040 0.000 1.753 353 P CB 0.422 32.148 31.700 0.043 0.000 0.256 354 A N 1.096 123.930 122.820 0.023 0.000 2.335 354 A HA 0.504 4.830 4.320 0.011 0.000 0.304 354 A C 1.446 179.043 177.584 0.021 0.000 1.118 354 A CA -0.736 51.309 52.037 0.012 0.000 0.757 354 A CB 0.423 19.415 19.000 -0.013 0.000 1.188 354 A HN 0.477 nan 8.150 nan 0.000 0.460 355 I N 0.092 120.682 120.570 0.035 0.000 2.248 355 I HA -0.121 4.055 4.170 0.011 0.000 0.248 355 I C 0.839 176.972 176.117 0.026 0.000 1.107 355 I CA 1.466 62.789 61.300 0.039 0.000 1.373 355 I CB -1.250 36.784 38.000 0.057 0.000 1.055 355 I HN 0.764 nan 8.210 nan 0.000 0.418 356 E N 2.347 122.556 120.200 0.014 0.000 2.207 356 E HA 0.367 4.723 4.350 0.011 0.000 0.270 356 E C -0.122 176.475 176.600 -0.004 0.000 0.927 356 E CA -0.874 55.529 56.400 0.006 0.000 0.799 356 E CB 1.891 31.593 29.700 0.004 0.000 1.172 356 E HN 0.308 nan 8.360 nan 0.000 0.404 357 R N 2.359 122.857 120.500 -0.004 0.000 2.641 357 R HA 0.161 4.508 4.340 0.011 0.000 0.269 357 R C -0.118 176.169 176.300 -0.022 0.000 1.074 357 R CA -0.354 55.739 56.100 -0.012 0.000 1.133 357 R CB 0.775 31.069 30.300 -0.009 0.000 1.029 357 R HN 0.460 nan 8.270 nan 0.000 0.488 358 E N 0.856 121.037 120.200 -0.031 0.000 4.505 358 E HA 0.007 4.364 4.350 0.011 0.000 0.553 358 E C -0.359 176.217 176.600 -0.040 0.000 1.022 358 E CA 0.217 56.594 56.400 -0.037 0.000 3.619 358 E CB 0.192 29.866 29.700 -0.043 0.000 2.034 358 E HN 0.781 nan 8.360 nan 0.000 0.479 359 E N -1.024 119.146 120.200 -0.050 0.000 2.421 359 E HA 0.389 4.745 4.350 0.011 0.000 0.278 359 E C -1.502 175.064 176.600 -0.057 0.000 1.141 359 E CA -0.801 55.570 56.400 -0.049 0.000 0.880 359 E CB 0.441 30.129 29.700 -0.020 0.000 1.381 359 E HN 0.391 nan 8.360 nan 0.000 0.436 360 L N -2.255 118.943 121.223 -0.041 0.000 2.371 360 L HA 0.786 5.132 4.340 0.011 0.000 0.262 360 L C -2.631 174.283 176.870 0.074 0.000 1.006 360 L CA -2.426 52.401 54.840 -0.022 0.000 0.818 360 L CB 2.078 44.082 42.059 -0.091 0.000 1.354 360 L HN 0.397 nan 8.230 nan 0.000 0.415 361 P HA 0.310 nan 4.420 nan 0.000 0.280 361 P C -1.159 176.337 177.300 0.326 0.000 1.386 361 P CA -0.214 62.986 63.100 0.167 0.000 0.899 361 P CB 0.989 32.766 31.700 0.129 0.000 1.098 362 M N 3.171 122.905 119.600 0.222 0.000 2.135 362 M HA 0.267 4.754 4.480 0.011 0.000 0.345 362 M C 0.814 177.087 176.300 -0.046 0.000 1.340 362 M CA -0.163 55.202 55.300 0.107 0.000 1.162 362 M CB 0.064 32.693 32.600 0.048 0.000 1.570 362 M HN 0.016 nan 8.290 nan 0.000 0.454 376 A N 2.558 125.433 122.820 0.091 0.000 4.932 376 A HA -0.237 4.090 4.320 0.011 0.000 0.293 376 A C 1.164 178.833 177.584 0.142 0.000 2.096 376 A CA 1.692 53.796 52.037 0.111 0.000 0.715 376 A CB -1.889 17.188 19.000 0.130 0.000 1.211 376 A HN 1.150 nan 8.150 nan 0.000 0.345 377 W N 2.840 124.153 121.300 0.022 0.000 2.436 377 W HA -0.155 4.511 4.660 0.010 0.000 0.261 377 W C 2.177 178.717 176.519 0.035 0.000 1.222 377 W CA 3.334 60.694 57.345 0.024 0.000 1.191 377 W CB -0.107 29.367 29.460 0.023 0.000 1.132 377 W HN 0.771 nan 8.180 nan 0.000 0.596 378 K N 0.983 121.440 120.400 0.095 0.000 2.044 378 K HA -0.254 4.073 4.320 0.011 0.000 0.210 378 K C 1.925 178.401 176.600 -0.207 0.000 1.049 378 K CA 2.491 58.763 56.287 -0.026 0.000 0.927 378 K CB -1.146 31.387 32.500 0.056 0.000 0.713 378 K HN 0.419 nan 8.250 nan 0.000 0.443 379 R N 0.250 120.654 120.500 -0.160 0.000 2.127 379 R HA 0.279 4.626 4.340 0.011 0.000 0.217 379 R C 2.314 178.470 176.300 -0.240 0.000 1.074 379 R CA 0.797 56.804 56.100 -0.155 0.000 0.991 379 R CB -0.663 29.589 30.300 -0.080 0.000 0.895 379 R HN 0.201 nan 8.270 nan 0.000 0.450 380 A N 1.070 123.697 122.820 -0.322 0.000 2.194 380 A HA -0.036 4.290 4.320 0.011 0.000 0.220 380 A C 2.109 179.381 177.584 -0.521 0.000 1.162 380 A CA 1.691 53.510 52.037 -0.363 0.000 0.674 380 A CB -0.376 18.419 19.000 -0.342 0.000 0.789 380 A HN 0.599 nan 8.150 nan 0.000 0.470 381 A N -1.075 121.357 122.820 -0.647 0.000 2.010 381 A HA 0.542 4.868 4.320 0.011 0.000 0.210 381 A C 2.355 179.898 177.584 -0.069 0.000 1.479 381 A CA 1.067 52.786 52.037 -0.531 0.000 0.748 381 A CB -1.118 17.393 19.000 -0.814 0.000 1.125 381 A HN 1.041 nan 8.150 nan 0.000 0.522 382 A N 0.381 123.176 122.820 -0.043 0.000 1.997 382 A HA 0.050 4.376 4.320 0.011 0.000 0.221 382 A C 2.324 179.922 177.584 0.023 0.000 1.172 382 A CA 2.470 54.524 52.037 0.028 0.000 0.645 382 A CB -0.972 17.987 19.000 -0.068 0.000 0.813 382 A HN 1.070 nan 8.150 nan 0.000 0.454 383 A N -0.097 122.694 122.820 -0.048 0.000 1.821 383 A HA 0.031 4.357 4.320 0.011 0.000 0.215 383 A C 2.333 179.895 177.584 -0.036 0.000 1.214 383 A CA 2.476 54.483 52.037 -0.049 0.000 0.608 383 A CB -1.512 17.443 19.000 -0.076 0.000 0.862 383 A HN 1.246 nan 8.150 nan 0.000 0.448 384 V N -2.757 117.103 119.914 -0.091 0.000 2.439 384 V HA -0.342 3.784 4.120 0.011 0.000 0.253 384 V C 2.202 178.252 176.094 -0.073 0.000 1.074 384 V CA 2.448 64.683 62.300 -0.108 0.000 1.076 384 V CB -1.512 30.201 31.823 -0.184 0.000 0.664 384 V HN 0.502 nan 8.190 nan 0.000 0.461 385 Y N 1.502 121.743 120.300 -0.098 0.000 2.036 385 Y HA -0.117 4.439 4.550 0.010 0.000 0.273 385 Y C 2.985 178.836 175.900 -0.082 0.000 1.135 385 Y CA 2.535 60.580 58.100 -0.092 0.000 1.106 385 Y CB -0.704 37.683 38.460 -0.121 0.000 0.976 385 Y HN 0.141 nan 8.280 nan 0.000 0.483 386 R N 0.265 120.830 120.500 0.108 0.000 2.115 386 R HA -0.218 4.129 4.340 0.011 0.000 0.239 386 R C 2.173 178.481 176.300 0.013 0.000 1.133 386 R CA 1.950 58.063 56.100 0.021 0.000 0.935 386 R CB -0.404 29.890 30.300 -0.010 0.000 0.853 386 R HN 0.296 nan 8.270 nan 0.000 0.433 387 K N 0.350 120.754 120.400 0.006 0.000 2.127 387 K HA -0.224 4.103 4.320 0.011 0.000 0.208 387 K C 1.748 178.348 176.600 -0.000 0.000 1.047 387 K CA 1.503 57.788 56.287 -0.004 0.000 0.927 387 K CB -0.301 32.190 32.500 -0.015 0.000 0.716 387 K HN 0.347 nan 8.250 nan 0.000 0.450 388 D N 1.139 121.542 120.400 0.005 0.000 2.120 388 D HA -0.131 4.515 4.640 0.011 0.000 0.202 388 D C 1.897 178.206 176.300 0.014 0.000 0.972 388 D CA 0.920 54.923 54.000 0.006 0.000 0.837 388 D CB 0.145 40.946 40.800 0.001 0.000 0.989 388 D HN 0.114 nan 8.370 nan 0.000 0.469 389 K N 0.560 120.973 120.400 0.022 0.000 2.044 389 K HA -0.189 4.137 4.320 0.011 0.000 0.210 389 K C 2.056 178.658 176.600 0.003 0.000 1.049 389 K CA 1.624 57.917 56.287 0.011 0.000 0.927 389 K CB -0.209 32.291 32.500 -0.001 0.000 0.713 389 K HN 0.064 nan 8.250 nan 0.000 0.443 390 A N 1.633 124.453 122.820 0.001 0.000 1.902 390 A HA -0.183 4.144 4.320 0.011 0.000 0.217 390 A C 2.223 179.811 177.584 0.007 0.000 1.181 390 A CA 1.553 53.591 52.037 0.001 0.000 0.623 390 A CB -0.618 18.381 19.000 -0.000 0.000 0.818 390 A HN 0.426 nan 8.150 nan 0.000 0.443 391 R N -0.138 120.367 120.500 0.009 0.000 2.066 391 R HA -0.137 4.209 4.340 0.011 0.000 0.232 391 R C 2.214 178.523 176.300 0.015 0.000 1.131 391 R CA 1.874 57.982 56.100 0.013 0.000 0.955 391 R CB -0.309 29.996 30.300 0.009 0.000 0.851 391 R HN 0.495 nan 8.270 nan 0.000 0.432 392 K N -0.126 120.281 120.400 0.013 0.000 2.211 392 K HA -0.074 4.253 4.320 0.011 0.000 0.204 392 K C 1.906 178.514 176.600 0.014 0.000 1.047 392 K CA 1.610 57.906 56.287 0.014 0.000 0.935 392 K CB 0.033 32.540 32.500 0.013 0.000 0.728 392 K HN 0.067 nan 8.250 nan 0.000 0.452 393 S N 0.039 115.745 115.700 0.010 0.000 2.395 393 S HA 0.020 4.496 4.470 0.011 0.000 0.225 393 S C 1.669 176.279 174.600 0.017 0.000 1.027 393 S CA 0.636 58.840 58.200 0.008 0.000 0.965 393 S CB -0.009 63.192 63.200 0.002 0.000 0.812 393 S HN 0.339 nan 8.310 nan 0.000 0.482 394 R N 0.676 121.189 120.500 0.022 0.000 2.090 394 R HA 0.065 4.411 4.340 0.011 0.000 0.228 394 R C 2.477 178.801 176.300 0.040 0.000 1.110 394 R CA 0.882 57.002 56.100 0.033 0.000 0.973 394 R CB -0.225 30.096 30.300 0.035 0.000 0.869 394 R HN 0.109 nan 8.270 nan 0.000 0.440 395 R N 1.396 121.917 120.500 0.035 0.000 2.080 395 R HA -0.099 4.247 4.340 0.011 0.000 0.236 395 R C 2.119 178.447 176.300 0.048 0.000 1.137 395 R CA 1.442 57.566 56.100 0.039 0.000 0.943 395 R CB -0.631 29.689 30.300 0.033 0.000 0.846 395 R HN 0.077 nan 8.270 nan 0.000 0.431 396 I N 0.321 120.916 120.570 0.041 0.000 2.185 396 I HA -0.314 3.862 4.170 0.011 0.000 0.246 396 I C 2.343 178.508 176.117 0.081 0.000 1.088 396 I CA 2.012 63.342 61.300 0.049 0.000 1.347 396 I CB -1.433 36.580 38.000 0.022 0.000 1.041 396 I HN 0.322 nan 8.210 nan 0.000 0.415 397 S N 0.554 116.296 115.700 0.070 0.000 2.371 397 S HA -0.128 4.348 4.470 0.011 0.000 0.224 397 S C 2.160 176.847 174.600 0.145 0.000 1.029 397 S CA 0.976 59.237 58.200 0.103 0.000 0.978 397 S CB -0.319 62.920 63.200 0.066 0.000 0.833 397 S HN 0.446 nan 8.310 nan 0.000 0.466 398 L N 1.328 122.606 121.223 0.092 0.000 2.017 398 L HA -0.061 4.285 4.340 0.011 0.000 0.208 398 L C 2.525 179.426 176.870 0.051 0.000 1.073 398 L CA 1.955 56.833 54.840 0.065 0.000 0.745 398 L CB -0.579 41.506 42.059 0.043 0.000 0.894 398 L HN 0.370 nan 8.230 nan 0.000 0.432 399 E N -0.534 119.703 120.200 0.062 0.000 2.118 399 E HA -0.283 4.073 4.350 0.011 0.000 0.195 399 E C 1.997 178.617 176.600 0.033 0.000 0.992 399 E CA 1.713 58.136 56.400 0.038 0.000 0.804 399 E CB -0.311 29.419 29.700 0.050 0.000 0.741 399 E HN 0.594 nan 8.360 nan 0.000 0.458 400 F N 1.259 121.190 119.950 -0.033 0.000 2.113 400 F HA -0.161 4.371 4.527 0.009 0.000 0.297 400 F C 2.237 177.984 175.800 -0.088 0.000 1.103 400 F CA 1.120 59.094 58.000 -0.044 0.000 1.248 400 F CB 0.026 39.019 39.000 -0.011 0.000 0.999 400 F HN -0.099 nan 8.300 nan 0.000 0.475 401 M N -0.098 119.530 119.600 0.046 0.000 2.279 401 M HA -0.148 4.338 4.480 0.011 0.000 0.264 401 M C 2.157 178.245 176.300 -0.353 0.000 1.062 401 M CA 0.956 56.197 55.300 -0.098 0.000 1.099 401 M CB -1.335 31.370 32.600 0.174 0.000 1.394 401 M HN 0.264 nan 8.290 nan 0.000 0.426 402 L N 0.701 121.790 121.223 -0.223 0.000 2.034 402 L HA -0.060 4.286 4.340 0.011 0.000 0.203 402 L C 0.627 177.331 176.870 -0.277 0.000 1.074 402 L CA 1.586 56.300 54.840 -0.210 0.000 0.748 402 L CB -0.918 41.071 42.059 -0.117 0.000 0.905 402 L HN 0.291 nan 8.230 nan 0.000 0.439 403 E N 0.017 120.056 120.200 -0.269 0.000 2.467 403 E HA -0.038 4.318 4.350 0.011 0.000 0.321 403 E C 0.363 176.696 176.600 -0.445 0.000 1.388 403 E CA -0.036 56.199 56.400 -0.275 0.000 1.508 403 E CB 0.204 29.793 29.700 -0.185 0.000 1.250 403 E HN 0.297 nan 8.360 nan 0.000 0.500 404 Q N -0.944 118.551 119.800 -0.507 0.000 1.527 404 Q HA 0.166 4.512 4.340 0.011 0.000 0.160 404 Q C 1.095 176.776 176.000 -0.532 0.000 0.633 404 Q CA 0.768 56.200 55.803 -0.618 0.000 0.681 404 Q CB -0.217 27.945 28.738 -0.960 0.000 1.163 404 Q HN 0.292 nan 8.270 nan 0.000 0.361 405 A N 0.303 122.799 122.820 -0.541 0.000 2.030 405 A HA 0.080 4.406 4.320 0.011 0.000 0.215 405 A C 1.498 179.020 177.584 -0.103 0.000 1.164 405 A CA 0.963 52.846 52.037 -0.256 0.000 0.697 405 A CB -0.237 18.659 19.000 -0.174 0.000 0.827 405 A HN 0.348 nan 8.150 nan 0.000 0.457 406 N N 0.136 118.730 118.700 -0.177 0.000 2.309 406 N HA -0.141 4.606 4.740 0.011 0.000 0.182 406 N C 1.593 177.004 175.510 -0.164 0.000 1.018 406 N CA 1.390 54.362 53.050 -0.129 0.000 0.876 406 N CB -0.100 38.307 38.487 -0.133 0.000 0.972 406 N HN 0.586 nan 8.380 nan 0.000 0.434 407 K N -0.075 120.143 120.400 -0.304 0.000 2.217 407 K HA 0.022 4.349 4.320 0.011 0.000 0.202 407 K C 0.562 176.816 176.600 -0.577 0.000 1.051 407 K CA 0.912 56.907 56.287 -0.487 0.000 0.952 407 K CB 0.070 32.124 32.500 -0.744 0.000 0.736 407 K HN -0.006 nan 8.250 nan 0.000 0.453 408 F N -0.414 119.498 119.950 -0.064 0.000 2.639 408 F HA 0.378 4.914 4.527 0.014 0.000 0.302 408 F C 1.544 177.403 175.800 0.099 0.000 1.097 408 F CA -0.158 57.812 58.000 -0.051 0.000 1.294 408 F CB 0.058 38.971 39.000 -0.145 0.000 1.027 408 F HN -0.015 nan 8.300 nan 0.000 0.550 409 A N 0.994 123.911 122.820 0.162 0.000 1.884 409 A HA -0.254 4.073 4.320 0.011 0.000 0.219 409 A C 2.144 179.813 177.584 0.141 0.000 1.197 409 A CA 2.324 54.435 52.037 0.123 0.000 0.637 409 A CB -0.591 18.436 19.000 0.045 0.000 0.827 409 A HN 0.360 nan 8.150 nan 0.000 0.450 410 N N -0.576 118.214 118.700 0.150 0.000 2.446 410 N HA -0.011 4.735 4.740 0.011 0.000 0.179 410 N C -0.153 175.413 175.510 0.094 0.000 1.054 410 N CA 0.267 53.368 53.050 0.084 0.000 0.905 410 N CB -0.422 38.069 38.487 0.006 0.000 0.973 410 N HN 0.625 nan 8.380 nan 0.000 0.448 411 H N 1.276 120.397 119.070 0.085 0.000 2.948 411 H HA -0.002 4.560 4.556 0.010 0.000 0.351 411 H C 1.455 176.811 175.328 0.047 0.000 1.079 411 H CA 0.574 56.678 56.048 0.093 0.000 1.407 411 H CB 1.210 31.072 29.762 0.166 0.000 1.373 411 H HN -0.022 nan 8.280 nan 0.000 0.605 412 K N 1.311 121.782 120.400 0.119 0.000 2.097 412 K HA 0.036 4.362 4.320 0.011 0.000 0.206 412 K C -0.037 176.565 176.600 0.004 0.000 1.049 412 K CA 1.237 57.555 56.287 0.052 0.000 0.933 412 K CB 0.296 32.827 32.500 0.051 0.000 0.717 412 K HN 0.670 nan 8.250 nan 0.000 0.442 413 A N 0.235 123.051 122.820 -0.007 0.000 2.608 413 A HA 0.528 4.854 4.320 0.011 0.000 0.292 413 A C -1.195 176.205 177.584 -0.307 0.000 1.066 413 A CA -0.969 50.909 52.037 -0.264 0.000 0.676 413 A CB 0.840 19.524 19.000 -0.527 0.000 1.277 413 A HN 0.277 nan 8.150 nan 0.000 0.413 414 I N -3.227 117.020 120.570 -0.537 0.000 3.145 414 I HA 0.910 5.087 4.170 0.011 0.000 0.313 414 I C -1.076 174.658 176.117 -0.639 0.000 1.122 414 I CA -1.088 59.958 61.300 -0.425 0.000 0.987 414 I CB 2.122 39.793 38.000 -0.549 0.000 1.236 414 I HN 0.687 nan 8.210 nan 0.000 0.453 415 W N 1.191 122.188 121.300 -0.504 0.000 3.029 415 W HA 0.587 5.253 4.660 0.010 0.000 0.339 415 W C -1.893 174.168 176.519 -0.763 0.000 1.198 415 W CA -0.488 56.608 57.345 -0.416 0.000 1.148 415 W CB 2.269 31.632 29.460 -0.161 0.000 1.451 415 W HN 0.300 nan 8.180 nan 0.000 0.564 416 F N 1.792 121.790 119.950 0.080 0.000 2.539 416 F HA 0.354 4.887 4.527 0.010 0.000 0.318 416 F C -2.010 173.593 175.800 -0.328 0.000 1.135 416 F CA -2.381 55.480 58.000 -0.232 0.000 0.915 416 F CB 1.462 40.167 39.000 -0.493 0.000 1.176 416 F HN -0.268 nan 8.300 nan 0.000 0.440 417 P HA 0.187 nan 4.420 nan 0.000 0.275 417 P C -1.459 175.646 177.300 -0.324 0.000 1.228 417 P CA -0.107 62.826 63.100 -0.279 0.000 0.786 417 P CB 1.029 32.354 31.700 -0.624 0.000 0.927 418 Y N 1.703 122.056 120.300 0.089 0.000 2.499 418 Y HA 0.424 4.981 4.550 0.012 0.000 0.347 418 Y C 0.884 176.782 175.900 -0.003 0.000 0.987 418 Y CA -0.099 58.023 58.100 0.036 0.000 1.044 418 Y CB 2.113 40.562 38.460 -0.019 0.000 1.245 418 Y HN 0.459 nan 8.280 nan 0.000 0.461 419 N N 1.114 119.847 118.700 0.055 0.000 3.316 419 N HA 0.598 5.344 4.740 0.011 0.000 0.300 419 N C -1.517 173.911 175.510 -0.137 0.000 1.567 419 N CA -1.017 51.898 53.050 -0.225 0.000 0.821 419 N CB 1.180 39.537 38.487 -0.217 0.000 1.748 419 N HN 0.569 nan 8.380 nan 0.000 0.603 420 M N -1.523 117.950 119.600 -0.211 0.000 2.658 420 M HA 0.541 5.027 4.480 0.011 0.000 0.295 420 M C -1.308 174.968 176.300 -0.040 0.000 1.248 420 M CA -0.960 54.264 55.300 -0.126 0.000 0.843 420 M CB 1.845 34.227 32.600 -0.364 0.000 1.749 420 M HN 0.566 nan 8.290 nan 0.000 0.464 421 D N 0.884 121.326 120.400 0.070 0.000 2.433 421 D HA 0.083 4.730 4.640 0.011 0.000 0.255 421 D C 1.074 177.414 176.300 0.067 0.000 1.226 421 D CA -0.491 53.539 54.000 0.050 0.000 1.015 421 D CB 0.348 41.183 40.800 0.057 0.000 1.091 421 D HN 0.911 nan 8.370 nan 0.000 0.527 422 W N -0.179 121.126 121.300 0.009 0.000 2.468 422 W HA -0.073 4.593 4.660 0.010 0.000 0.262 422 W C 0.696 177.333 176.519 0.198 0.000 1.241 422 W CA 0.059 57.458 57.345 0.091 0.000 1.232 422 W CB -0.669 28.809 29.460 0.030 0.000 1.124 422 W HN 0.204 nan 8.180 nan 0.000 0.597 423 R N 0.631 120.933 120.500 -0.331 0.000 2.276 423 R HA 0.190 4.537 4.340 0.011 0.000 0.196 423 R C 2.057 178.315 176.300 -0.069 0.000 0.961 423 R CA 1.423 57.359 56.100 -0.274 0.000 1.024 423 R CB -0.388 29.639 30.300 -0.456 0.000 0.940 423 R HN 0.351 nan 8.270 nan 0.000 0.480 424 G N -0.233 108.405 108.800 -0.270 0.000 2.284 424 G HA2 -0.238 3.729 3.960 0.011 0.000 0.201 424 G HA3 -0.238 3.729 3.960 0.011 0.000 0.201 424 G C -0.019 174.545 174.900 -0.561 0.000 0.998 424 G CA -0.535 44.061 45.100 -0.840 0.000 0.651 424 G HN 0.183 nan 8.290 nan 0.000 0.489 425 R N 0.455 120.749 120.500 -0.344 0.000 2.640 425 R HA 0.359 4.706 4.340 0.011 0.000 0.270 425 R C 0.160 176.270 176.300 -0.317 0.000 1.024 425 R CA 0.256 56.155 56.100 -0.336 0.000 1.085 425 R CB 0.884 30.959 30.300 -0.377 0.000 0.963 425 R HN 0.097 nan 8.270 nan 0.000 0.426 426 V N 5.126 124.815 119.914 -0.376 0.000 2.406 426 V HA 0.204 4.330 4.120 0.011 0.000 0.272 426 V C -0.680 175.246 176.094 -0.281 0.000 1.043 426 V CA -0.307 61.821 62.300 -0.287 0.000 0.915 426 V CB 0.449 32.054 31.823 -0.363 0.000 0.988 426 V HN 0.544 nan 8.190 nan 0.000 0.466 427 Y N 2.374 122.709 120.300 0.059 0.000 2.409 427 Y HA 0.693 5.250 4.550 0.011 0.000 0.343 427 Y C 0.552 176.505 175.900 0.089 0.000 0.973 427 Y CA -0.666 57.483 58.100 0.082 0.000 1.064 427 Y CB 1.790 40.267 38.460 0.027 0.000 1.207 427 Y HN 0.719 nan 8.280 nan 0.000 0.452 428 A N 2.012 124.862 122.820 0.049 0.000 2.407 428 A HA 0.364 4.690 4.320 0.011 0.000 0.248 428 A C 0.722 178.186 177.584 -0.200 0.000 1.082 428 A CA -0.328 51.411 52.037 -0.496 0.000 0.785 428 A CB 0.326 18.908 19.000 -0.696 0.000 1.020 428 A HN 0.776 nan 8.150 nan 0.000 0.489 429 V N 2.024 121.806 119.914 -0.220 0.000 2.535 429 V HA -0.073 4.054 4.120 0.011 0.000 0.246 429 V C 1.577 177.712 176.094 0.068 0.000 1.045 429 V CA 1.700 63.951 62.300 -0.083 0.000 1.058 429 V CB -0.834 30.871 31.823 -0.196 0.000 0.689 429 V HN 0.983 nan 8.190 nan 0.000 0.461 430 S N 0.045 115.813 115.700 0.115 0.000 2.573 430 S HA 0.142 4.618 4.470 0.011 0.000 0.277 430 S C 0.946 175.673 174.600 0.211 0.000 1.346 430 S CA -0.166 58.198 58.200 0.273 0.000 1.034 430 S CB 0.766 64.166 63.200 0.334 0.000 0.879 430 S HN 0.298 nan 8.310 nan 0.000 0.528 431 M N 0.548 120.324 119.600 0.294 0.000 2.159 431 M HA 0.071 4.558 4.480 0.011 0.000 0.263 431 M C 0.396 176.889 176.300 0.322 0.000 1.063 431 M CA 1.308 56.759 55.300 0.252 0.000 1.110 431 M CB -0.198 32.537 32.600 0.225 0.000 1.374 431 M HN 0.752 nan 8.290 nan 0.000 0.411 432 F N 3.401 123.500 119.950 0.248 0.000 2.361 432 F HA 0.369 4.904 4.527 0.014 0.000 0.364 432 F C -0.120 175.693 175.800 0.021 0.000 1.120 432 F CA -1.196 56.903 58.000 0.165 0.000 1.102 432 F CB 0.238 39.353 39.000 0.191 0.000 1.183 432 F HN 0.145 nan 8.300 nan 0.000 0.476 433 N N 4.841 123.131 118.700 -0.683 0.000 2.934 433 N HA 0.370 5.117 4.740 0.011 0.000 0.253 433 N C -2.923 171.917 175.510 -1.117 0.000 1.466 433 N CA -1.815 50.512 53.050 -1.205 0.000 0.858 433 N CB 1.709 39.646 38.487 -0.917 0.000 1.459 433 N HN 0.089 nan 8.380 nan 0.000 0.532 434 P HA 0.003 nan 4.420 nan 0.000 0.234 434 P C 0.144 177.151 177.300 -0.489 0.000 1.167 434 P CA 1.223 63.758 63.100 -0.943 0.000 0.763 434 P CB 0.060 30.987 31.700 -1.288 0.000 0.835 435 Q N -0.786 118.762 119.800 -0.420 0.000 2.201 435 Q HA 0.283 4.630 4.340 0.011 0.000 0.217 435 Q C 1.100 177.014 176.000 -0.143 0.000 0.860 435 Q CA -0.384 55.272 55.803 -0.246 0.000 0.984 435 Q CB 0.442 29.041 28.738 -0.231 0.000 1.095 435 Q HN 0.141 nan 8.270 nan 0.000 0.477 436 G N 1.456 110.161 108.800 -0.157 0.000 2.531 436 G HA2 0.095 4.062 3.960 0.011 0.000 0.253 436 G HA3 0.095 4.062 3.960 0.011 0.000 0.253 436 G C 0.201 175.093 174.900 -0.013 0.000 1.439 436 G CA -0.488 44.576 45.100 -0.061 0.000 1.056 436 G HN 0.328 nan 8.290 nan 0.000 0.555 437 N N -0.959 117.757 118.700 0.027 0.000 2.328 437 N HA 0.026 4.772 4.740 0.011 0.000 0.277 437 N C 0.809 176.361 175.510 0.070 0.000 1.286 437 N CA 0.279 53.361 53.050 0.054 0.000 0.949 437 N CB 0.123 38.651 38.487 0.068 0.000 1.136 437 N HN 0.413 nan 8.380 nan 0.000 0.550 438 D N -0.781 119.685 120.400 0.109 0.000 2.123 438 D HA -0.173 4.474 4.640 0.011 0.000 0.196 438 D C 1.847 178.257 176.300 0.183 0.000 0.992 438 D CA 1.437 55.538 54.000 0.167 0.000 0.833 438 D CB -0.057 40.873 40.800 0.216 0.000 0.954 438 D HN 0.547 nan 8.370 nan 0.000 0.455 439 M N -0.588 119.077 119.600 0.109 0.000 2.175 439 M HA -0.140 4.347 4.480 0.011 0.000 0.264 439 M C 1.835 178.095 176.300 -0.068 0.000 1.063 439 M CA 1.237 56.454 55.300 -0.139 0.000 1.119 439 M CB -0.076 32.361 32.600 -0.272 0.000 1.377 439 M HN 0.028 nan 8.290 nan 0.000 0.415 440 T N 0.666 115.238 114.554 0.030 0.000 2.777 440 T HA -0.119 4.238 4.350 0.011 0.000 0.266 440 T C 1.699 176.412 174.700 0.021 0.000 1.040 440 T CA 1.200 63.345 62.100 0.074 0.000 1.141 440 T CB -0.051 68.847 68.868 0.051 0.000 0.868 440 T HN 0.405 nan 8.240 nan 0.000 0.444 441 K N 0.388 120.803 120.400 0.025 0.000 2.097 441 K HA -0.022 4.304 4.320 0.011 0.000 0.205 441 K C 2.566 179.242 176.600 0.126 0.000 1.050 441 K CA 1.167 57.481 56.287 0.046 0.000 0.938 441 K CB -0.434 32.111 32.500 0.076 0.000 0.718 441 K HN 0.360 nan 8.250 nan 0.000 0.442 442 G N 1.265 110.160 108.800 0.158 0.000 2.422 442 G HA2 -0.202 3.764 3.960 0.011 0.000 0.218 442 G HA3 -0.202 3.764 3.960 0.011 0.000 0.218 442 G C 1.305 176.306 174.900 0.168 0.000 1.146 442 G CA 0.422 45.647 45.100 0.208 0.000 0.769 442 G HN 0.051 nan 8.290 nan 0.000 0.547 443 L N -0.123 121.171 121.223 0.119 0.000 2.376 443 L HA 0.320 4.667 4.340 0.011 0.000 0.219 443 L C 1.195 178.181 176.870 0.193 0.000 1.133 443 L CA 0.448 55.373 54.840 0.142 0.000 0.816 443 L CB -0.758 41.400 42.059 0.165 0.000 0.933 443 L HN 0.112 nan 8.230 nan 0.000 0.449 444 L N -1.605 119.730 121.223 0.187 0.000 2.325 444 L HA 0.502 4.849 4.340 0.011 0.000 0.278 444 L C 0.276 177.355 176.870 0.348 0.000 1.023 444 L CA -0.089 54.903 54.840 0.254 0.000 0.811 444 L CB 1.912 44.033 42.059 0.102 0.000 1.249 444 L HN -0.117 nan 8.230 nan 0.000 0.431 445 T N 2.049 116.826 114.554 0.370 0.000 2.787 445 T HA 0.588 4.944 4.350 0.011 0.000 0.297 445 T C -1.111 173.589 174.700 -0.000 0.000 1.221 445 T CA -0.553 61.655 62.100 0.180 0.000 1.006 445 T CB 1.096 70.013 68.868 0.081 0.000 1.328 445 T HN 0.301 nan 8.240 nan 0.000 0.509 446 L N 2.324 123.368 121.223 -0.298 0.000 2.334 446 L HA 0.584 4.931 4.340 0.011 0.000 0.277 446 L C 1.588 178.276 176.870 -0.304 0.000 1.075 446 L CA -0.623 53.906 54.840 -0.519 0.000 0.804 446 L CB 1.268 42.938 42.059 -0.648 0.000 1.174 446 L HN 0.919 nan 8.230 nan 0.000 0.438 447 A N 2.473 125.102 122.820 -0.318 0.000 1.854 447 A HA -0.029 4.297 4.320 0.011 0.000 0.214 447 A C 0.963 178.430 177.584 -0.195 0.000 1.192 447 A CA 0.983 52.882 52.037 -0.230 0.000 0.611 447 A CB -0.179 18.658 19.000 -0.271 0.000 0.832 447 A HN 0.567 nan 8.150 nan 0.000 0.442 448 K N 1.677 121.953 120.400 -0.207 0.000 2.110 448 K HA 0.400 4.726 4.320 0.011 0.000 0.260 448 K C 0.442 176.942 176.600 -0.167 0.000 1.126 448 K CA 0.433 56.627 56.287 -0.154 0.000 1.005 448 K CB -0.095 32.331 32.500 -0.122 0.000 1.336 448 K HN 0.406 nan 8.250 nan 0.000 0.369 449 G N 1.353 110.059 108.800 -0.157 0.000 2.543 449 G HA2 0.461 4.427 3.960 0.011 0.000 0.290 449 G HA3 0.461 4.427 3.960 0.011 0.000 0.290 449 G C -0.821 173.995 174.900 -0.139 0.000 1.310 449 G CA -0.402 44.602 45.100 -0.161 0.000 1.025 449 G HN 0.427 nan 8.290 nan 0.000 0.502 450 K N -0.664 119.653 120.400 -0.138 0.000 2.568 450 K HA 0.368 4.695 4.320 0.011 0.000 0.273 450 K C -3.005 173.532 176.600 -0.106 0.000 0.951 450 K CA -1.508 54.714 56.287 -0.108 0.000 0.854 450 K CB 2.442 34.893 32.500 -0.082 0.000 1.424 450 K HN 0.128 nan 8.250 nan 0.000 0.427 451 P HA -0.024 nan 4.420 nan 0.000 0.260 451 P C 0.545 177.837 177.300 -0.013 0.000 1.185 451 P CA 0.333 63.397 63.100 -0.060 0.000 0.763 451 P CB 0.306 31.984 31.700 -0.037 0.000 0.776 452 I N 3.485 124.071 120.570 0.027 0.000 2.151 452 I HA -0.214 3.963 4.170 0.011 0.000 0.243 452 I C 1.059 177.234 176.117 0.096 0.000 1.080 452 I CA 2.089 63.444 61.300 0.091 0.000 1.339 452 I CB -0.736 37.376 38.000 0.186 0.000 1.039 452 I HN 0.674 nan 8.210 nan 0.000 0.409 453 G N 0.018 108.861 108.800 0.071 0.000 2.814 453 G HA2 -0.344 3.622 3.960 0.011 0.000 0.677 453 G HA3 -0.344 3.622 3.960 0.011 0.000 0.677 453 G C 0.444 175.408 174.900 0.108 0.000 1.429 453 G CA 0.179 45.319 45.100 0.067 0.000 0.868 453 G HN 0.475 nan 8.290 nan 0.000 0.553 454 K N 0.031 120.485 120.400 0.089 0.000 2.044 454 K HA -0.176 4.150 4.320 0.011 0.000 0.210 454 K C 2.323 179.026 176.600 0.172 0.000 1.049 454 K CA 2.508 58.865 56.287 0.117 0.000 0.927 454 K CB -0.148 32.386 32.500 0.058 0.000 0.713 454 K HN 0.563 nan 8.250 nan 0.000 0.443 455 E N -0.738 119.547 120.200 0.143 0.000 2.076 455 E HA -0.016 4.341 4.350 0.011 0.000 0.190 455 E C 1.905 178.693 176.600 0.315 0.000 0.979 455 E CA 1.054 57.561 56.400 0.178 0.000 0.807 455 E CB -0.391 29.414 29.700 0.176 0.000 0.761 455 E HN 0.496 nan 8.360 nan 0.000 0.454 456 G N 0.268 109.238 108.800 0.284 0.000 2.469 456 G HA2 -0.335 3.631 3.960 0.011 0.000 0.220 456 G HA3 -0.335 3.631 3.960 0.011 0.000 0.220 456 G C 1.438 176.539 174.900 0.335 0.000 1.136 456 G CA 1.047 46.323 45.100 0.293 0.000 0.759 456 G HN 0.249 nan 8.290 nan 0.000 0.562 457 Y N 0.240 120.635 120.300 0.158 0.000 2.200 457 Y HA -0.133 4.423 4.550 0.011 0.000 0.290 457 Y C 2.446 178.425 175.900 0.132 0.000 1.137 457 Y CA 1.012 59.196 58.100 0.140 0.000 1.163 457 Y CB -0.801 37.718 38.460 0.097 0.000 0.988 457 Y HN 0.297 nan 8.280 nan 0.000 0.518 458 Y N -0.936 119.327 120.300 -0.062 0.000 2.081 458 Y HA -0.331 4.226 4.550 0.011 0.000 0.280 458 Y C 2.006 177.687 175.900 -0.364 0.000 1.163 458 Y CA 2.204 60.100 58.100 -0.339 0.000 1.135 458 Y CB -1.116 37.048 38.460 -0.492 0.000 0.970 458 Y HN 0.177 nan 8.280 nan 0.000 0.498 459 W N -0.317 120.936 121.300 -0.078 0.000 2.402 459 W HA -0.157 4.509 4.660 0.011 0.000 0.286 459 W C 2.287 178.719 176.519 -0.145 0.000 1.221 459 W CA 0.781 58.007 57.345 -0.198 0.000 1.257 459 W CB -0.540 28.880 29.460 -0.066 0.000 1.120 459 W HN 0.222 nan 8.180 nan 0.000 0.551 460 L N 1.531 122.866 121.223 0.186 0.000 2.042 460 L HA -0.198 4.149 4.340 0.011 0.000 0.210 460 L C 2.083 179.076 176.870 0.204 0.000 1.076 460 L CA 2.001 56.991 54.840 0.251 0.000 0.749 460 L CB -0.802 41.468 42.059 0.352 0.000 0.893 460 L HN -0.106 nan 8.230 nan 0.000 0.432 461 K N -0.528 119.889 120.400 0.028 0.000 2.097 461 K HA -0.125 4.202 4.320 0.011 0.000 0.206 461 K C 2.095 178.594 176.600 -0.168 0.000 1.049 461 K CA 1.760 58.029 56.287 -0.029 0.000 0.933 461 K CB -0.324 32.080 32.500 -0.160 0.000 0.717 461 K HN 0.355 nan 8.250 nan 0.000 0.442 462 I N 0.581 121.019 120.570 -0.220 0.000 2.315 462 I HA -0.257 3.919 4.170 0.011 0.000 0.248 462 I C 2.607 178.702 176.117 -0.036 0.000 1.117 462 I CA 1.109 62.325 61.300 -0.140 0.000 1.404 462 I CB -0.394 37.474 38.000 -0.220 0.000 1.071 462 I HN 0.283 nan 8.210 nan 0.000 0.419 463 H N 0.917 119.924 119.070 -0.104 0.000 2.319 463 H HA -0.175 4.388 4.556 0.011 0.000 0.299 463 H C 2.222 177.409 175.328 -0.234 0.000 1.092 463 H CA 1.821 57.800 56.048 -0.115 0.000 1.302 463 H CB -0.170 29.540 29.762 -0.086 0.000 1.373 463 H HN 0.384 nan 8.280 nan 0.000 0.497 464 G N 0.023 108.436 108.800 -0.645 0.000 2.432 464 G HA2 -0.230 3.737 3.960 0.011 0.000 0.219 464 G HA3 -0.230 3.737 3.960 0.011 0.000 0.219 464 G C 1.926 176.570 174.900 -0.426 0.000 1.135 464 G CA 0.951 45.282 45.100 -1.281 0.000 0.767 464 G HN 0.583 nan 8.290 nan 0.000 0.550 465 A N 1.432 124.139 122.820 -0.188 0.000 1.873 465 A HA -0.080 4.246 4.320 0.011 0.000 0.215 465 A C 2.299 179.858 177.584 -0.041 0.000 1.186 465 A CA 1.843 53.912 52.037 0.054 0.000 0.616 465 A CB -0.439 18.623 19.000 0.104 0.000 0.823 465 A HN 0.340 nan 8.150 nan 0.000 0.442 466 N N 0.058 118.729 118.700 -0.049 0.000 2.120 466 N HA -0.149 4.598 4.740 0.011 0.000 0.188 466 N C 1.626 177.085 175.510 -0.085 0.000 1.024 466 N CA 1.625 54.661 53.050 -0.022 0.000 0.852 466 N CB -1.017 37.500 38.487 0.050 0.000 1.003 466 N HN 0.512 nan 8.380 nan 0.000 0.424 467 C N 0.678 119.885 119.300 -0.156 0.000 2.419 467 C HA 0.069 4.536 4.460 0.011 0.000 0.281 467 C C 2.427 177.382 174.990 -0.058 0.000 1.336 467 C CA 0.471 59.449 59.018 -0.067 0.000 1.770 467 C CB -1.299 26.444 27.740 0.004 0.000 1.929 467 C HN 0.463 nan 8.230 nan 0.000 0.509 468 A N -0.735 122.013 122.820 -0.121 0.000 2.251 468 A HA 0.441 4.768 4.320 0.011 0.000 0.209 468 A C 1.844 179.247 177.584 -0.302 0.000 1.187 468 A CA 1.229 53.054 52.037 -0.353 0.000 0.823 468 A CB -0.584 18.258 19.000 -0.263 0.000 0.846 468 A HN 1.089 nan 8.150 nan 0.000 0.486 469 G N -1.655 107.023 108.800 -0.202 0.000 2.199 469 G HA2 -0.237 3.730 3.960 0.011 0.000 0.254 469 G HA3 -0.237 3.730 3.960 0.011 0.000 0.254 469 G C 0.316 175.097 174.900 -0.198 0.000 0.982 469 G CA 0.167 45.165 45.100 -0.170 0.000 0.632 469 G HN 0.794 nan 8.290 nan 0.000 0.529 470 V N 2.979 122.714 119.914 -0.298 0.000 2.229 470 V HA 0.360 4.487 4.120 0.011 0.000 0.245 470 V C 0.886 176.894 176.094 -0.144 0.000 1.243 470 V CA 0.944 63.046 62.300 -0.330 0.000 1.176 470 V CB 0.498 31.914 31.823 -0.679 0.000 1.323 470 V HN 0.596 nan 8.190 nan 0.000 0.499 471 D N 1.807 122.156 120.400 -0.085 0.000 2.525 471 D HA 0.038 4.685 4.640 0.011 0.000 0.231 471 D C 0.733 176.993 176.300 -0.068 0.000 1.216 471 D CA -0.337 53.664 54.000 0.003 0.000 0.813 471 D CB 0.490 41.321 40.800 0.051 0.000 1.108 471 D HN 0.411 nan 8.370 nan 0.000 0.524 472 K N 0.931 121.259 120.400 -0.120 0.000 2.675 472 K HA 0.367 4.693 4.320 0.011 0.000 0.213 472 K C -0.648 175.825 176.600 -0.211 0.000 1.074 472 K CA -0.139 56.042 56.287 -0.176 0.000 1.172 472 K CB 1.540 33.960 32.500 -0.133 0.000 0.927 472 K HN -0.035 nan 8.250 nan 0.000 0.471 473 V N 0.836 120.623 119.914 -0.211 0.000 3.087 473 V HA 0.397 4.523 4.120 0.011 0.000 0.306 473 V C -2.564 173.418 176.094 -0.186 0.000 1.187 473 V CA -2.604 59.584 62.300 -0.187 0.000 0.999 473 V CB 2.361 34.129 31.823 -0.091 0.000 1.049 473 V HN 0.063 nan 8.190 nan 0.000 0.431 474 P HA 0.065 nan 4.420 nan 0.000 0.270 474 P C 0.527 177.968 177.300 0.235 0.000 1.227 474 P CA 0.217 63.335 63.100 0.030 0.000 0.788 474 P CB 0.429 32.197 31.700 0.114 0.000 0.926 475 F N 1.322 121.496 119.950 0.373 0.000 2.091 475 F HA -0.106 4.427 4.527 0.011 0.000 0.299 475 F C -0.244 175.638 175.800 0.136 0.000 1.103 475 F CA 1.652 59.795 58.000 0.238 0.000 1.228 475 F CB -3.172 35.975 39.000 0.246 0.000 0.984 475 F HN 0.355 nan 8.300 nan 0.000 0.477 476 P HA -0.169 nan 4.420 nan 0.000 0.218 476 P C 1.763 179.166 177.300 0.173 0.000 1.148 476 P CA 1.521 64.752 63.100 0.218 0.000 0.822 476 P CB -0.038 31.766 31.700 0.174 0.000 0.784 477 E N -0.259 120.043 120.200 0.171 0.000 2.152 477 E HA -0.144 4.213 4.350 0.011 0.000 0.192 477 E C 1.964 178.670 176.600 0.177 0.000 0.983 477 E CA 0.957 57.442 56.400 0.142 0.000 0.818 477 E CB -0.037 29.721 29.700 0.097 0.000 0.758 477 E HN 0.238 nan 8.360 nan 0.000 0.467 478 R N 0.026 120.642 120.500 0.193 0.000 2.090 478 R HA -0.015 4.332 4.340 0.011 0.000 0.228 478 R C 2.388 178.799 176.300 0.186 0.000 1.110 478 R CA 0.694 56.915 56.100 0.202 0.000 0.973 478 R CB -0.069 30.358 30.300 0.211 0.000 0.869 478 R HN 0.167 nan 8.270 nan 0.000 0.440 479 I N 1.409 122.043 120.570 0.107 0.000 2.252 479 I HA -0.209 3.968 4.170 0.011 0.000 0.245 479 I C 2.255 178.428 176.117 0.094 0.000 1.102 479 I CA 1.358 62.685 61.300 0.044 0.000 1.385 479 I CB -0.716 37.298 38.000 0.024 0.000 1.064 479 I HN 0.019 nan 8.210 nan 0.000 0.414 480 K N 1.118 121.593 120.400 0.125 0.000 2.032 480 K HA -0.237 4.090 4.320 0.011 0.000 0.209 480 K C 2.155 178.833 176.600 0.129 0.000 1.048 480 K CA 1.484 57.841 56.287 0.117 0.000 0.927 480 K CB -0.731 31.843 32.500 0.123 0.000 0.712 480 K HN 0.127 nan 8.250 nan 0.000 0.441 481 F N 0.630 120.617 119.950 0.061 0.000 2.126 481 F HA -0.198 4.336 4.527 0.011 0.000 0.299 481 F C 1.597 177.455 175.800 0.097 0.000 1.096 481 F CA 1.367 59.410 58.000 0.072 0.000 1.255 481 F CB -0.104 38.933 39.000 0.061 0.000 0.997 481 F HN -0.004 nan 8.300 nan 0.000 0.479 482 I N 0.488 121.010 120.570 -0.080 0.000 2.333 482 I HA -0.184 3.993 4.170 0.011 0.000 0.246 482 I C 2.264 178.342 176.117 -0.065 0.000 1.106 482 I CA 1.218 62.438 61.300 -0.133 0.000 1.411 482 I CB -1.439 36.581 38.000 0.032 0.000 1.082 482 I HN 0.251 nan 8.210 nan 0.000 0.420 483 E N 0.756 120.972 120.200 0.027 0.000 2.118 483 E HA -0.241 4.115 4.350 0.011 0.000 0.195 483 E C 1.978 178.601 176.600 0.039 0.000 0.992 483 E CA 1.156 57.605 56.400 0.082 0.000 0.804 483 E CB -0.106 29.639 29.700 0.074 0.000 0.741 483 E HN 0.509 nan 8.360 nan 0.000 0.458 484 E N 0.370 120.552 120.200 -0.030 0.000 2.204 484 E HA -0.099 4.257 4.350 0.011 0.000 0.195 484 E C 1.081 177.614 176.600 -0.111 0.000 0.990 484 E CA 0.543 56.909 56.400 -0.056 0.000 0.821 484 E CB 0.099 29.762 29.700 -0.062 0.000 0.750 484 E HN 0.184 nan 8.360 nan 0.000 0.477 485 N N -0.265 118.321 118.700 -0.190 0.000 2.238 485 N HA -0.026 4.721 4.740 0.011 0.000 0.222 485 N C 0.876 176.288 175.510 -0.162 0.000 1.133 485 N CA 0.061 52.961 53.050 -0.250 0.000 0.854 485 N CB 0.318 38.604 38.487 -0.335 0.000 1.041 485 N HN 0.232 nan 8.380 nan 0.000 0.510 486 H N 1.794 120.802 119.070 -0.104 0.000 2.292 486 H HA -0.188 4.375 4.556 0.011 0.000 0.292 486 H C 1.714 177.040 175.328 -0.003 0.000 1.100 486 H CA 2.147 58.202 56.048 0.011 0.000 1.238 486 H CB 0.417 30.242 29.762 0.105 0.000 1.355 486 H HN 0.048 nan 8.280 nan 0.000 0.484 487 E N -0.168 120.002 120.200 -0.051 0.000 2.150 487 E HA -0.112 4.244 4.350 0.011 0.000 0.193 487 E C 2.094 178.581 176.600 -0.188 0.000 0.985 487 E CA 0.867 57.205 56.400 -0.103 0.000 0.814 487 E CB -0.154 29.529 29.700 -0.029 0.000 0.752 487 E HN 0.483 nan 8.360 nan 0.000 0.466 488 N N 0.022 118.530 118.700 -0.320 0.000 2.084 488 N HA -0.127 4.620 4.740 0.011 0.000 0.190 488 N C 1.917 177.323 175.510 -0.173 0.000 1.030 488 N CA 1.182 53.940 53.050 -0.487 0.000 0.849 488 N CB -0.189 37.514 38.487 -1.307 0.000 1.012 488 N HN 0.227 nan 8.380 nan 0.000 0.423 489 I N 1.011 121.516 120.570 -0.107 0.000 2.179 489 I HA -0.255 3.921 4.170 0.011 0.000 0.242 489 I C 2.191 178.270 176.117 -0.064 0.000 1.088 489 I CA 0.877 62.187 61.300 0.016 0.000 1.357 489 I CB -0.175 37.681 38.000 -0.240 0.000 1.051 489 I HN 0.074 nan 8.210 nan 0.000 0.409 490 M N 0.459 119.978 119.600 -0.134 0.000 2.149 490 M HA -0.174 4.312 4.480 0.011 0.000 0.261 490 M C 2.579 178.877 176.300 -0.004 0.000 1.064 490 M CA 1.998 57.251 55.300 -0.078 0.000 1.102 490 M CB -1.513 31.003 32.600 -0.140 0.000 1.369 490 M HN 0.329 nan 8.290 nan 0.000 0.408 491 A N -0.577 122.244 122.820 0.002 0.000 1.877 491 A HA -0.169 4.158 4.320 0.011 0.000 0.216 491 A C 2.525 180.178 177.584 0.116 0.000 1.186 491 A CA 1.805 53.874 52.037 0.054 0.000 0.620 491 A CB -1.258 17.762 19.000 0.034 0.000 0.822 491 A HN 0.577 nan 8.150 nan 0.000 0.443 492 C N -0.879 118.519 119.300 0.162 0.000 2.422 492 C HA 0.077 4.543 4.460 0.011 0.000 0.279 492 C C 3.261 178.251 174.990 0.000 0.000 1.305 492 C CA 0.690 59.839 59.018 0.218 0.000 1.757 492 C CB -1.394 26.590 27.740 0.407 0.000 1.962 492 C HN 0.692 nan 8.230 nan 0.000 0.499 493 A N 0.465 123.259 122.820 -0.044 0.000 1.897 493 A HA -0.180 4.146 4.320 0.011 0.000 0.215 493 A C 2.224 179.927 177.584 0.199 0.000 1.181 493 A CA 1.844 53.884 52.037 0.005 0.000 0.620 493 A CB -0.491 18.510 19.000 0.002 0.000 0.821 493 A HN 0.671 nan 8.150 nan 0.000 0.443 494 K N -0.548 119.928 120.400 0.128 0.000 2.025 494 K HA -0.001 4.325 4.320 0.011 0.000 0.207 494 K C -0.223 176.468 176.600 0.150 0.000 1.049 494 K CA 1.529 57.895 56.287 0.131 0.000 0.933 494 K CB -0.018 32.546 32.500 0.107 0.000 0.714 494 K HN 0.326 nan 8.250 nan 0.000 0.438 495 S N 1.524 117.320 115.700 0.159 0.000 2.279 495 S HA 0.209 4.686 4.470 0.011 0.000 0.176 495 S C -2.259 172.484 174.600 0.239 0.000 1.554 495 S CA -1.114 57.196 58.200 0.183 0.000 1.242 495 S CB 1.771 65.066 63.200 0.157 0.000 1.163 495 S HN 0.236 nan 8.310 nan 0.000 0.449 496 P HA -0.070 nan 4.420 nan 0.000 0.218 496 P C 1.062 178.653 177.300 0.485 0.000 1.149 496 P CA 0.868 64.160 63.100 0.321 0.000 0.817 496 P CB 0.143 31.895 31.700 0.086 0.000 0.785 497 L N -0.911 120.534 121.223 0.370 0.000 2.492 497 L HA 0.055 4.402 4.340 0.011 0.000 0.223 497 L C 2.649 179.771 176.870 0.420 0.000 1.132 497 L CA 0.806 55.903 54.840 0.429 0.000 0.850 497 L CB -0.495 41.817 42.059 0.422 0.000 0.966 497 L HN 0.020 nan 8.230 nan 0.000 0.454 498 E N 0.259 120.647 120.200 0.312 0.000 2.175 498 E HA -0.068 4.289 4.350 0.011 0.000 0.195 498 E C 1.553 178.281 176.600 0.213 0.000 0.934 498 E CA 0.404 56.944 56.400 0.234 0.000 0.870 498 E CB 0.366 30.171 29.700 0.174 0.000 0.838 498 E HN 0.443 nan 8.360 nan 0.000 0.474 499 N N 0.185 119.029 118.700 0.240 0.000 2.148 499 N HA -0.126 4.621 4.740 0.011 0.000 0.186 499 N C 0.868 176.502 175.510 0.207 0.000 1.031 499 N CA 2.405 55.587 53.050 0.220 0.000 0.848 499 N CB -0.369 38.264 38.487 0.244 0.000 1.005 499 N HN 0.245 nan 8.380 nan 0.000 0.427 500 T N -3.820 110.881 114.554 0.244 0.000 6.500 500 T HA -0.283 4.073 4.350 0.011 0.000 0.302 500 T C 0.756 175.249 174.700 -0.344 0.000 1.706 500 T CA 1.406 63.380 62.100 -0.210 0.000 2.745 500 T CB -2.292 66.479 68.868 -0.162 0.000 2.168 500 T HN 0.550 nan 8.240 nan 0.000 1.110 501 W N 2.199 123.388 121.300 -0.185 0.000 2.363 501 W HA 0.069 4.736 4.660 0.011 0.000 0.296 501 W C 2.172 178.570 176.519 -0.201 0.000 1.212 501 W CA 1.780 59.039 57.345 -0.143 0.000 1.260 501 W CB -0.624 28.839 29.460 0.005 0.000 1.131 501 W HN 0.675 nan 8.180 nan 0.000 0.530 502 W N 0.210 121.507 121.300 -0.006 0.000 2.364 502 W HA -0.111 4.555 4.660 0.010 0.000 0.281 502 W C 1.657 178.005 176.519 -0.286 0.000 1.219 502 W CA 1.480 58.729 57.345 -0.158 0.000 1.220 502 W CB -1.747 27.827 29.460 0.191 0.000 1.127 502 W HN 0.111 nan 8.180 nan 0.000 0.556 503 A N 1.359 123.379 122.820 -1.333 0.000 2.168 503 A HA -0.110 4.216 4.320 0.011 0.000 0.215 503 A C 1.751 178.954 177.584 -0.636 0.000 1.152 503 A CA 1.253 52.539 52.037 -1.251 0.000 0.716 503 A CB -0.584 17.471 19.000 -1.576 0.000 0.794 503 A HN 0.492 nan 8.150 nan 0.000 0.465 504 E N -0.167 119.693 120.200 -0.568 0.000 2.474 504 E HA 0.030 4.387 4.350 0.011 0.000 0.195 504 E C 0.061 176.406 176.600 -0.425 0.000 1.039 504 E CA -0.230 55.923 56.400 -0.412 0.000 0.881 504 E CB 0.187 29.686 29.700 -0.334 0.000 0.970 504 E HN 0.513 nan 8.360 nan 0.000 0.486 505 Q N 0.873 120.350 119.800 -0.537 0.000 2.318 505 Q HA 0.030 4.377 4.340 0.011 0.000 0.222 505 Q C 0.575 176.391 176.000 -0.305 0.000 1.003 505 Q CA 0.019 55.499 55.803 -0.537 0.000 0.936 505 Q CB 0.537 28.742 28.738 -0.888 0.000 1.204 505 Q HN -0.014 nan 8.270 nan 0.000 0.524 506 D N 0.247 120.498 120.400 -0.250 0.000 2.133 506 D HA -0.090 4.557 4.640 0.011 0.000 0.195 506 D C -0.137 176.126 176.300 -0.062 0.000 0.997 506 D CA 1.336 55.255 54.000 -0.135 0.000 0.840 506 D CB 0.211 40.941 40.800 -0.115 0.000 0.947 506 D HN 0.286 nan 8.370 nan 0.000 0.452 507 S N 1.014 116.694 115.700 -0.033 0.000 2.130 507 S HA 0.186 4.663 4.470 0.011 0.000 0.165 507 S C -1.835 172.842 174.600 0.128 0.000 1.677 507 S CA -1.117 57.125 58.200 0.070 0.000 1.227 507 S CB 2.238 65.494 63.200 0.093 0.000 1.115 507 S HN 0.057 nan 8.310 nan 0.000 0.452 508 P HA -0.175 nan 4.420 nan 0.000 0.216 508 P C 0.890 178.333 177.300 0.238 0.000 1.157 508 P CA 1.532 64.711 63.100 0.131 0.000 0.880 508 P CB -0.048 31.575 31.700 -0.129 0.000 0.791 509 F N -0.430 119.708 119.950 0.314 0.000 2.293 509 F HA -0.055 4.479 4.527 0.011 0.000 0.297 509 F C 2.820 178.704 175.800 0.139 0.000 1.089 509 F CA 0.777 58.886 58.000 0.181 0.000 1.377 509 F CB -1.505 37.587 39.000 0.154 0.000 1.051 509 F HN 0.005 nan 8.300 nan 0.000 0.511 510 C N -0.550 118.954 119.300 0.340 0.000 2.446 510 C HA -0.164 4.302 4.460 0.011 0.000 0.277 510 C C 2.701 177.836 174.990 0.243 0.000 1.275 510 C CA 0.423 59.606 59.018 0.275 0.000 1.727 510 C CB -1.226 26.657 27.740 0.239 0.000 2.010 510 C HN 0.496 nan 8.230 nan 0.000 0.486 511 F N 1.382 121.389 119.950 0.096 0.000 2.075 511 F HA -0.138 4.395 4.527 0.010 0.000 0.297 511 F C 2.108 177.980 175.800 0.120 0.000 1.113 511 F CA 1.749 59.806 58.000 0.095 0.000 1.218 511 F CB -0.760 38.253 39.000 0.021 0.000 0.984 511 F HN 0.129 nan 8.300 nan 0.000 0.472 512 L N 0.985 122.214 121.223 0.009 0.000 2.013 512 L HA -0.174 4.173 4.340 0.011 0.000 0.212 512 L C 2.469 179.053 176.870 -0.477 0.000 1.073 512 L CA 2.289 56.826 54.840 -0.504 0.000 0.753 512 L CB -1.403 40.099 42.059 -0.928 0.000 0.890 512 L HN 0.188 nan 8.230 nan 0.000 0.432 513 A N -0.755 122.003 122.820 -0.102 0.000 1.948 513 A HA -0.310 4.017 4.320 0.011 0.000 0.220 513 A C 2.274 179.903 177.584 0.074 0.000 1.177 513 A CA 2.118 54.207 52.037 0.086 0.000 0.636 513 A CB -1.311 17.810 19.000 0.201 0.000 0.815 513 A HN 0.695 nan 8.150 nan 0.000 0.449 514 F N -0.153 119.723 119.950 -0.122 0.000 2.259 514 F HA -0.119 4.414 4.527 0.011 0.000 0.298 514 F C 2.195 177.871 175.800 -0.205 0.000 1.088 514 F CA 1.133 59.070 58.000 -0.105 0.000 1.358 514 F CB -0.615 38.295 39.000 -0.151 0.000 1.040 514 F HN 0.241 nan 8.300 nan 0.000 0.505 515 C N 0.863 119.721 119.300 -0.737 0.000 2.413 515 C HA -0.179 4.287 4.460 0.011 0.000 0.276 515 C C 2.681 177.373 174.990 -0.496 0.000 1.248 515 C CA 1.338 59.867 59.018 -0.815 0.000 1.742 515 C CB -1.710 25.627 27.740 -0.673 0.000 2.017 515 C HN 0.587 nan 8.230 nan 0.000 0.481 516 F N 0.745 120.527 119.950 -0.280 0.000 2.269 516 F HA -0.126 4.408 4.527 0.011 0.000 0.301 516 F C 2.562 178.254 175.800 -0.180 0.000 1.082 516 F CA 0.771 58.654 58.000 -0.196 0.000 1.360 516 F CB -0.258 38.667 39.000 -0.125 0.000 1.041 516 F HN 0.261 nan 8.300 nan 0.000 0.512 517 E N -0.480 119.721 120.200 0.002 0.000 2.122 517 E HA -0.184 4.172 4.350 0.011 0.000 0.190 517 E C 1.829 178.344 176.600 -0.142 0.000 0.977 517 E CA 0.751 57.163 56.400 0.021 0.000 0.820 517 E CB -0.802 28.977 29.700 0.132 0.000 0.770 517 E HN 0.507 nan 8.360 nan 0.000 0.462 518 Y N 1.622 121.645 120.300 -0.462 0.000 2.224 518 Y HA -0.202 4.354 4.550 0.011 0.000 0.289 518 Y C 2.196 177.929 175.900 -0.278 0.000 1.146 518 Y CA 1.736 59.585 58.100 -0.418 0.000 1.182 518 Y CB -0.166 37.756 38.460 -0.896 0.000 0.983 518 Y HN 0.016 nan 8.280 nan 0.000 0.524 519 A N 0.090 122.797 122.820 -0.188 0.000 1.898 519 A HA -0.029 4.297 4.320 0.011 0.000 0.216 519 A C 2.479 179.805 177.584 -0.430 0.000 1.181 519 A CA 1.406 53.294 52.037 -0.248 0.000 0.620 519 A CB -1.675 17.197 19.000 -0.214 0.000 0.819 519 A HN 0.581 nan 8.150 nan 0.000 0.442 520 G N -0.192 108.310 108.800 -0.496 0.000 2.469 520 G HA2 -0.205 3.762 3.960 0.011 0.000 0.219 520 G HA3 -0.205 3.762 3.960 0.011 0.000 0.219 520 G C 1.504 175.867 174.900 -0.894 0.000 1.150 520 G CA 1.459 46.117 45.100 -0.735 0.000 0.763 520 G HN 0.341 nan 8.290 nan 0.000 0.561 521 V N 0.639 120.031 119.914 -0.871 0.000 2.343 521 V HA -0.206 3.921 4.120 0.011 0.000 0.247 521 V C 3.019 178.880 176.094 -0.388 0.000 1.051 521 V CA 1.957 63.905 62.300 -0.587 0.000 1.036 521 V CB -0.454 31.043 31.823 -0.543 0.000 0.654 521 V HN 0.331 nan 8.190 nan 0.000 0.451 522 Q N -0.222 119.379 119.800 -0.333 0.000 2.061 522 Q HA -0.221 4.126 4.340 0.011 0.000 0.204 522 Q C 2.201 178.143 176.000 -0.096 0.000 0.984 522 Q CA 1.935 57.647 55.803 -0.153 0.000 0.846 522 Q CB -0.684 28.050 28.738 -0.007 0.000 0.902 522 Q HN 0.718 nan 8.270 nan 0.000 0.421 523 H N -0.513 118.339 119.070 -0.363 0.000 2.491 523 H HA -0.015 4.548 4.556 0.011 0.000 0.290 523 H C 1.239 176.104 175.328 -0.772 0.000 1.050 523 H CA 1.213 56.939 56.048 -0.538 0.000 1.309 523 H CB 0.116 29.497 29.762 -0.636 0.000 1.392 523 H HN 0.403 nan 8.280 nan 0.000 0.554 524 H N -1.979 117.078 119.070 -0.022 0.000 3.360 524 H HA 0.356 4.919 4.556 0.011 0.000 0.262 524 H C 1.220 176.533 175.328 -0.024 0.000 1.149 524 H CA 0.552 56.605 56.048 0.008 0.000 1.181 524 H CB 1.069 30.908 29.762 0.127 0.000 1.564 524 H HN 0.396 nan 8.280 nan 0.000 0.565 525 G N 1.273 110.049 108.800 -0.040 0.000 2.725 525 G HA2 -0.252 3.715 3.960 0.011 0.000 0.220 525 G HA3 -0.252 3.715 3.960 0.011 0.000 0.220 525 G C 0.694 175.556 174.900 -0.063 0.000 1.357 525 G CA -0.106 44.943 45.100 -0.085 0.000 0.866 525 G HN 0.199 nan 8.290 nan 0.000 0.548 526 L N 0.904 122.075 121.223 -0.087 0.000 2.465 526 L HA 0.041 4.388 4.340 0.011 0.000 0.224 526 L C 2.935 179.822 176.870 0.028 0.000 1.145 526 L CA 1.642 56.451 54.840 -0.051 0.000 0.834 526 L CB -0.458 41.562 42.059 -0.064 0.000 0.944 526 L HN 0.725 nan 8.230 nan 0.000 0.451 527 S N -1.397 114.327 115.700 0.040 0.000 2.515 527 S HA -0.167 4.310 4.470 0.011 0.000 0.231 527 S C 0.781 175.404 174.600 0.039 0.000 0.987 527 S CA -0.221 57.996 58.200 0.029 0.000 0.936 527 S CB -0.667 62.546 63.200 0.022 0.000 0.766 527 S HN 0.386 nan 8.310 nan 0.000 0.528 528 Y N 4.001 124.280 120.300 -0.035 0.000 2.802 528 Y HA 0.123 4.679 4.550 0.011 0.000 0.333 528 Y C 0.312 176.181 175.900 -0.052 0.000 1.244 528 Y CA -0.732 57.342 58.100 -0.043 0.000 1.558 528 Y CB -0.295 38.156 38.460 -0.015 0.000 1.233 528 Y HN 0.187 nan 8.280 nan 0.000 0.547 529 N N 5.722 124.009 118.700 -0.690 0.000 2.405 529 N HA 0.177 4.924 4.740 0.011 0.000 0.260 529 N C -1.473 173.594 175.510 -0.737 0.000 1.152 529 N CA -0.128 52.590 53.050 -0.554 0.000 0.948 529 N CB 0.156 38.399 38.487 -0.406 0.000 1.111 529 N HN 0.659 nan 8.380 nan 0.000 0.485 530 C N 2.872 121.959 119.300 -0.355 0.000 2.507 530 C HA 0.653 5.120 4.460 0.011 0.000 0.319 530 C C 0.908 175.825 174.990 -0.123 0.000 1.208 530 C CA -0.402 58.511 59.018 -0.176 0.000 1.619 530 C CB 0.702 28.494 27.740 0.087 0.000 2.230 530 C HN 0.898 nan 8.230 nan 0.000 0.492 531 S N 3.441 119.078 115.700 -0.105 0.000 2.900 531 S HA 0.196 4.672 4.470 0.011 0.000 0.253 531 S C -0.258 174.264 174.600 -0.129 0.000 1.029 531 S CA -0.254 57.861 58.200 -0.140 0.000 1.096 531 S CB -0.213 62.886 63.200 -0.170 0.000 1.067 531 S HN 0.707 nan 8.310 nan 0.000 0.610 532 L N 4.358 125.546 121.223 -0.057 0.000 2.490 532 L HA 0.371 4.718 4.340 0.011 0.000 0.274 532 L C -2.527 174.252 176.870 -0.153 0.000 1.201 532 L CA -1.173 53.639 54.840 -0.048 0.000 0.869 532 L CB 0.163 42.246 42.059 0.041 0.000 1.123 532 L HN 0.057 nan 8.230 nan 0.000 0.484 533 P HA 0.175 nan 4.420 nan 0.000 0.291 533 P C -1.221 175.827 177.300 -0.419 0.000 1.340 533 P CA -0.253 62.696 63.100 -0.251 0.000 0.799 533 P CB 0.533 32.133 31.700 -0.166 0.000 0.917 534 L N 3.277 124.215 121.223 -0.475 0.000 2.260 534 L HA 0.517 4.863 4.340 0.011 0.000 0.289 534 L C 0.969 177.546 176.870 -0.487 0.000 1.057 534 L CA -0.789 53.643 54.840 -0.680 0.000 0.811 534 L CB 0.954 42.707 42.059 -0.510 0.000 1.184 534 L HN 0.325 nan 8.230 nan 0.000 0.429 535 A N 3.973 126.649 122.820 -0.242 0.000 2.328 535 A HA 0.629 4.956 4.320 0.011 0.000 0.284 535 A C -0.821 176.672 177.584 -0.151 0.000 1.160 535 A CA -0.169 51.819 52.037 -0.081 0.000 0.818 535 A CB 0.068 19.140 19.000 0.119 0.000 1.087 535 A HN 0.502 nan 8.150 nan 0.000 0.504 536 F N 1.594 121.578 119.950 0.058 0.000 2.325 536 F HA 0.327 4.860 4.527 0.011 0.000 0.369 536 F C 0.064 176.090 175.800 0.377 0.000 1.095 536 F CA -0.790 57.184 58.000 -0.044 0.000 1.082 536 F CB 1.619 40.517 39.000 -0.170 0.000 1.289 536 F HN 0.653 nan 8.300 nan 0.000 0.462 537 D N 1.849 122.763 120.400 0.857 0.000 2.217 537 D HA 0.526 5.173 4.640 0.011 0.000 0.243 537 D C 0.345 176.975 176.300 0.549 0.000 1.054 537 D CA -0.187 54.174 54.000 0.601 0.000 0.838 537 D CB 1.427 42.457 40.800 0.383 0.000 1.162 537 D HN 0.610 nan 8.370 nan 0.000 0.472 538 G N 1.060 110.088 108.800 0.380 0.000 2.572 538 G HA2 0.408 4.375 3.960 0.011 0.000 0.261 538 G HA3 0.408 4.375 3.960 0.011 0.000 0.261 538 G C -0.485 174.473 174.900 0.097 0.000 1.197 538 G CA -0.628 44.604 45.100 0.220 0.000 0.870 538 G HN 0.501 nan 8.290 nan 0.000 0.548 539 S N -1.401 114.300 115.700 0.000 0.000 2.528 539 S HA 0.399 4.876 4.470 0.011 0.000 0.303 539 S C -0.088 174.489 174.600 -0.039 0.000 1.123 539 S CA -0.639 57.536 58.200 -0.042 0.000 1.138 539 S CB 0.245 63.366 63.200 -0.132 0.000 0.984 539 S HN 1.202 nan 8.310 nan 0.000 0.474 540 C N 2.289 121.597 119.300 0.013 0.000 4.210 540 C HA -0.159 4.307 4.460 0.011 0.000 0.315 540 C C 1.977 176.989 174.990 0.035 0.000 1.159 540 C CA 0.362 59.390 59.018 0.017 0.000 2.254 540 C CB -3.110 24.611 27.740 -0.032 0.000 1.321 540 C HN 0.986 nan 8.230 nan 0.000 0.647 541 S N 0.907 116.663 115.700 0.094 0.000 2.372 541 S HA -0.186 4.290 4.470 0.011 0.000 0.227 541 S C 2.187 176.890 174.600 0.172 0.000 1.044 541 S CA 2.113 60.420 58.200 0.178 0.000 1.050 541 S CB -0.187 63.155 63.200 0.237 0.000 0.901 541 S HN 1.141 nan 8.310 nan 0.000 0.447 542 G N 1.850 110.693 108.800 0.071 0.000 2.586 542 G HA2 -0.235 3.732 3.960 0.011 0.000 0.218 542 G HA3 -0.235 3.732 3.960 0.011 0.000 0.218 542 G C 1.270 176.131 174.900 -0.064 0.000 1.216 542 G CA 1.340 46.408 45.100 -0.054 0.000 0.786 542 G HN 0.472 nan 8.290 nan 0.000 0.583 543 I N 0.767 121.368 120.570 0.052 0.000 2.361 543 I HA -0.133 4.044 4.170 0.011 0.000 0.251 543 I C 2.900 179.020 176.117 0.006 0.000 1.133 543 I CA 1.086 62.442 61.300 0.093 0.000 1.413 543 I CB -0.451 37.576 38.000 0.044 0.000 1.073 543 I HN 0.243 nan 8.210 nan 0.000 0.424 544 Q N -0.422 119.343 119.800 -0.058 0.000 2.084 544 Q HA -0.218 4.129 4.340 0.011 0.000 0.202 544 Q C 2.244 178.088 176.000 -0.261 0.000 0.978 544 Q CA 1.440 57.146 55.803 -0.162 0.000 0.844 544 Q CB -0.221 28.395 28.738 -0.203 0.000 0.898 544 Q HN 0.629 nan 8.270 nan 0.000 0.426 545 H N -1.139 117.831 119.070 -0.167 0.000 2.395 545 H HA -0.072 4.491 4.556 0.011 0.000 0.299 545 H C 1.871 177.033 175.328 -0.276 0.000 1.070 545 H CA 0.996 56.902 56.048 -0.236 0.000 1.356 545 H CB 0.044 29.670 29.762 -0.226 0.000 1.401 545 H HN 0.221 nan 8.280 nan 0.000 0.524 546 F N 1.192 121.143 119.950 0.003 0.000 2.146 546 F HA -0.123 4.410 4.527 0.011 0.000 0.298 546 F C 2.781 178.498 175.800 -0.139 0.000 1.096 546 F CA 0.745 58.714 58.000 -0.052 0.000 1.275 546 F CB -0.638 38.352 39.000 -0.017 0.000 1.008 546 F HN -0.020 nan 8.300 nan 0.000 0.480 547 S N -0.002 115.730 115.700 0.053 0.000 2.382 547 S HA -0.156 4.320 4.470 0.011 0.000 0.228 547 S C 2.354 176.857 174.600 -0.162 0.000 1.027 547 S CA 1.026 59.192 58.200 -0.056 0.000 0.991 547 S CB -0.690 62.469 63.200 -0.070 0.000 0.823 547 S HN 0.348 nan 8.310 nan 0.000 0.469 548 A N 2.390 125.044 122.820 -0.278 0.000 1.898 548 A HA -0.069 4.257 4.320 0.011 0.000 0.216 548 A C 2.220 179.443 177.584 -0.601 0.000 1.181 548 A CA 1.625 53.388 52.037 -0.456 0.000 0.620 548 A CB -0.691 17.935 19.000 -0.624 0.000 0.819 548 A HN 0.671 nan 8.150 nan 0.000 0.442 549 M N -1.586 117.645 119.600 -0.615 0.000 2.254 549 M HA 0.178 4.665 4.480 0.011 0.000 0.265 549 M C 1.304 177.489 176.300 -0.192 0.000 1.066 549 M CA 1.462 56.504 55.300 -0.429 0.000 1.123 549 M CB -0.382 32.101 32.600 -0.194 0.000 1.388 549 M HN 0.155 nan 8.290 nan 0.000 0.425 550 L N 0.263 121.398 121.223 -0.146 0.000 2.611 550 L HA 0.223 4.569 4.340 0.011 0.000 0.229 550 L C 0.302 177.104 176.870 -0.113 0.000 1.137 550 L CA -0.309 54.461 54.840 -0.117 0.000 0.901 550 L CB -0.063 41.938 42.059 -0.096 0.000 1.098 550 L HN 0.387 nan 8.230 nan 0.000 0.456 551 R N 0.206 120.629 120.500 -0.129 0.000 3.641 551 R HA -0.199 4.148 4.340 0.011 0.000 0.286 551 R C -0.009 176.235 176.300 -0.092 0.000 1.153 551 R CA 0.491 56.526 56.100 -0.107 0.000 0.775 551 R CB -2.617 27.632 30.300 -0.086 0.000 1.215 551 R HN 0.345 nan 8.270 nan 0.000 0.474 552 D N 1.036 121.380 120.400 -0.093 0.000 2.342 552 D HA 0.014 4.660 4.640 0.011 0.000 0.260 552 D C 1.173 177.427 176.300 -0.077 0.000 1.278 552 D CA 0.193 54.145 54.000 -0.080 0.000 0.910 552 D CB 0.512 41.268 40.800 -0.073 0.000 1.079 552 D HN 0.367 nan 8.370 nan 0.000 0.496 553 E N 2.533 122.692 120.200 -0.069 0.000 2.427 553 E HA -0.053 4.303 4.350 0.011 0.000 0.196 553 E C 0.968 177.531 176.600 -0.062 0.000 1.028 553 E CA 0.386 56.747 56.400 -0.064 0.000 0.864 553 E CB 0.419 30.086 29.700 -0.055 0.000 0.813 553 E HN 0.379 nan 8.360 nan 0.000 0.514 554 V N -0.502 119.373 119.914 -0.065 0.000 2.672 554 V HA 0.095 4.222 4.120 0.011 0.000 0.242 554 V C 2.203 178.253 176.094 -0.074 0.000 1.059 554 V CA 1.316 63.576 62.300 -0.067 0.000 1.081 554 V CB 0.205 31.988 31.823 -0.067 0.000 0.752 554 V HN 0.422 nan 8.190 nan 0.000 0.472 555 G N 0.271 109.026 108.800 -0.075 0.000 2.511 555 G HA2 -0.038 3.929 3.960 0.011 0.000 0.217 555 G HA3 -0.038 3.929 3.960 0.011 0.000 0.217 555 G C 1.530 176.383 174.900 -0.078 0.000 1.133 555 G CA 0.846 45.901 45.100 -0.076 0.000 0.792 555 G HN 0.562 nan 8.290 nan 0.000 0.539 556 G N 0.217 108.970 108.800 -0.079 0.000 2.448 556 G HA2 -0.093 3.874 3.960 0.011 0.000 0.218 556 G HA3 -0.093 3.874 3.960 0.011 0.000 0.218 556 G C 1.719 176.571 174.900 -0.079 0.000 1.135 556 G CA 0.703 45.752 45.100 -0.085 0.000 0.784 556 G HN 0.454 nan 8.290 nan 0.000 0.543 557 R N 0.278 120.735 120.500 -0.071 0.000 2.093 557 R HA 0.202 4.549 4.340 0.011 0.000 0.224 557 R C 2.786 179.041 176.300 -0.075 0.000 1.101 557 R CA 1.134 57.197 56.100 -0.062 0.000 0.979 557 R CB -0.258 30.009 30.300 -0.055 0.000 0.877 557 R HN 0.223 nan 8.270 nan 0.000 0.441 558 A N 0.446 123.213 122.820 -0.089 0.000 2.024 558 A HA -0.098 4.228 4.320 0.011 0.000 0.220 558 A C 1.670 179.173 177.584 -0.134 0.000 1.164 558 A CA 1.586 53.555 52.037 -0.113 0.000 0.643 558 A CB -0.206 18.725 19.000 -0.114 0.000 0.806 558 A HN 0.296 nan 8.150 nan 0.000 0.451 559 V N -4.569 115.274 119.914 -0.118 0.000 3.099 559 V HA 0.282 4.409 4.120 0.011 0.000 0.356 559 V C 0.126 176.158 176.094 -0.103 0.000 1.364 559 V CA -0.045 62.179 62.300 -0.127 0.000 1.229 559 V CB -1.127 30.628 31.823 -0.114 0.000 1.227 559 V HN 0.505 nan 8.190 nan 0.000 0.493 560 N N 0.014 118.667 118.700 -0.078 0.000 2.741 560 N HA -0.190 4.556 4.740 0.011 0.000 0.250 560 N C 0.502 175.989 175.510 -0.038 0.000 1.115 560 N CA 1.061 54.095 53.050 -0.027 0.000 0.724 560 N CB -1.048 37.444 38.487 0.008 0.000 1.090 560 N HN 0.467 nan 8.380 nan 0.000 0.558 561 L N -0.028 121.155 121.223 -0.067 0.000 2.478 561 L HA 0.202 4.548 4.340 0.011 0.000 0.223 561 L C 0.959 177.790 176.870 -0.065 0.000 1.140 561 L CA 1.160 55.951 54.840 -0.082 0.000 0.842 561 L CB 0.011 42.007 42.059 -0.106 0.000 0.953 561 L HN 0.230 nan 8.230 nan 0.000 0.452 562 L N 0.257 121.453 121.223 -0.044 0.000 2.354 562 L HA 0.447 4.794 4.340 0.011 0.000 0.269 562 L C -2.149 174.715 176.870 -0.011 0.000 1.005 562 L CA -2.027 52.793 54.840 -0.033 0.000 0.819 562 L CB 1.843 43.882 42.059 -0.035 0.000 1.311 562 L HN -0.181 nan 8.230 nan 0.000 0.423 563 P HA 0.101 nan 4.420 nan 0.000 0.266 563 P C -0.890 176.425 177.300 0.025 0.000 1.195 563 P CA 0.073 63.170 63.100 -0.004 0.000 0.768 563 P CB 1.177 32.872 31.700 -0.009 0.000 0.838 564 S N 1.232 116.972 115.700 0.066 0.000 2.567 564 S HA 0.147 4.623 4.470 0.011 0.000 0.270 564 S C 0.406 175.093 174.600 0.146 0.000 1.152 564 S CA -0.624 57.627 58.200 0.086 0.000 0.835 564 S CB 1.535 64.784 63.200 0.082 0.000 1.115 564 S HN 0.412 nan 8.310 nan 0.000 0.459 565 E N 0.626 120.888 120.200 0.103 0.000 2.442 565 E HA 0.064 4.420 4.350 0.011 0.000 0.195 565 E C 0.531 177.201 176.600 0.117 0.000 1.030 565 E CA 0.357 56.828 56.400 0.118 0.000 0.869 565 E CB 0.471 30.210 29.700 0.064 0.000 0.857 565 E HN 0.434 nan 8.360 nan 0.000 0.505 566 T N -0.152 114.438 114.554 0.061 0.000 2.912 566 T HA 0.360 4.717 4.350 0.011 0.000 0.288 566 T C -0.530 174.055 174.700 -0.192 0.000 1.030 566 T CA -0.810 61.249 62.100 -0.069 0.000 1.020 566 T CB 1.470 70.297 68.868 -0.067 0.000 1.056 566 T HN -0.241 nan 8.240 nan 0.000 0.480 567 V N 5.754 125.396 119.914 -0.453 0.000 2.461 567 V HA 0.320 4.447 4.120 0.011 0.000 0.275 567 V C 0.239 176.145 176.094 -0.312 0.000 1.047 567 V CA -0.696 61.230 62.300 -0.623 0.000 0.955 567 V CB 1.204 32.532 31.823 -0.824 0.000 0.988 567 V HN 0.803 nan 8.190 nan 0.000 0.471 568 Q N 2.937 122.603 119.800 -0.223 0.000 2.327 568 Q HA 0.297 4.644 4.340 0.011 0.000 0.254 568 Q C -0.382 175.493 176.000 -0.209 0.000 0.952 568 Q CA -0.266 55.433 55.803 -0.173 0.000 0.884 568 Q CB 1.120 29.781 28.738 -0.128 0.000 1.224 568 Q HN 0.731 nan 8.270 nan 0.000 0.422 569 D N 2.191 122.475 120.400 -0.195 0.000 2.438 569 D HA 0.142 4.789 4.640 0.011 0.000 0.257 569 D C 0.721 176.864 176.300 -0.262 0.000 1.148 569 D CA -0.392 53.466 54.000 -0.236 0.000 0.902 569 D CB 0.263 40.972 40.800 -0.151 0.000 1.062 569 D HN 0.619 nan 8.370 nan 0.000 0.518 570 I N 3.332 123.678 120.570 -0.374 0.000 2.236 570 I HA -0.376 3.800 4.170 0.011 0.000 0.249 570 I C 0.875 176.855 176.117 -0.228 0.000 1.102 570 I CA 1.675 62.781 61.300 -0.323 0.000 1.365 570 I CB 0.105 37.881 38.000 -0.374 0.000 1.051 570 I HN 0.372 nan 8.210 nan 0.000 0.420 571 Y N 0.677 120.920 120.300 -0.094 0.000 2.242 571 Y HA -0.009 4.547 4.550 0.011 0.000 0.291 571 Y C 2.603 178.445 175.900 -0.098 0.000 1.137 571 Y CA 0.897 58.936 58.100 -0.102 0.000 1.181 571 Y CB -1.662 36.743 38.460 -0.092 0.000 0.989 571 Y HN 0.156 nan 8.280 nan 0.000 0.527 572 G N 0.656 109.479 108.800 0.038 0.000 2.402 572 G HA2 -0.170 3.796 3.960 0.011 0.000 0.216 572 G HA3 -0.170 3.796 3.960 0.011 0.000 0.216 572 G C 1.621 176.496 174.900 -0.041 0.000 1.162 572 G CA 0.934 46.030 45.100 -0.007 0.000 0.777 572 G HN 0.223 nan 8.290 nan 0.000 0.539 573 I N 1.111 121.639 120.570 -0.070 0.000 2.335 573 I HA -0.120 4.057 4.170 0.011 0.000 0.251 573 I C 2.830 178.901 176.117 -0.077 0.000 1.129 573 I CA 0.800 62.053 61.300 -0.079 0.000 1.402 573 I CB -0.979 36.962 38.000 -0.099 0.000 1.069 573 I HN 0.045 nan 8.210 nan 0.000 0.424 574 V N 0.978 120.848 119.914 -0.074 0.000 2.407 574 V HA -0.098 4.029 4.120 0.011 0.000 0.245 574 V C 2.775 178.814 176.094 -0.093 0.000 1.041 574 V CA 1.397 63.643 62.300 -0.090 0.000 1.040 574 V CB -0.909 30.860 31.823 -0.091 0.000 0.671 574 V HN 0.410 nan 8.190 nan 0.000 0.455 575 A N -0.095 122.684 122.820 -0.069 0.000 1.902 575 A HA -0.266 4.060 4.320 0.011 0.000 0.217 575 A C 2.318 179.864 177.584 -0.063 0.000 1.181 575 A CA 2.217 54.210 52.037 -0.073 0.000 0.623 575 A CB -0.493 18.483 19.000 -0.040 0.000 0.818 575 A HN 0.491 nan 8.150 nan 0.000 0.443 576 K N -0.282 120.088 120.400 -0.051 0.000 2.032 576 K HA -0.201 4.126 4.320 0.011 0.000 0.209 576 K C 2.130 178.699 176.600 -0.051 0.000 1.048 576 K CA 1.952 58.213 56.287 -0.043 0.000 0.927 576 K CB -0.183 32.291 32.500 -0.044 0.000 0.712 576 K HN 0.423 nan 8.250 nan 0.000 0.441 577 K N 0.188 120.547 120.400 -0.067 0.000 2.362 577 K HA -0.064 4.263 4.320 0.011 0.000 0.200 577 K C 1.664 178.214 176.600 -0.083 0.000 1.046 577 K CA 0.578 56.821 56.287 -0.074 0.000 0.952 577 K CB 0.255 32.701 32.500 -0.089 0.000 0.753 577 K HN 0.006 nan 8.250 nan 0.000 0.466 578 V N 1.574 121.430 119.914 -0.097 0.000 2.591 578 V HA -0.174 3.953 4.120 0.011 0.000 0.249 578 V C 1.704 177.750 176.094 -0.080 0.000 1.053 578 V CA 1.414 63.640 62.300 -0.124 0.000 1.068 578 V CB -0.308 31.413 31.823 -0.171 0.000 0.689 578 V HN 0.414 nan 8.190 nan 0.000 0.462 579 N N -0.066 118.608 118.700 -0.043 0.000 2.270 579 N HA -0.164 4.582 4.740 0.011 0.000 0.181 579 N C 1.854 177.366 175.510 0.004 0.000 1.016 579 N CA 1.095 54.144 53.050 -0.002 0.000 0.870 579 N CB 0.015 38.507 38.487 0.009 0.000 0.979 579 N HN 0.603 nan 8.380 nan 0.000 0.431 580 E N 1.163 121.354 120.200 -0.015 0.000 2.085 580 E HA -0.124 4.233 4.350 0.011 0.000 0.194 580 E C 1.741 178.341 176.600 -0.001 0.000 0.994 580 E CA 0.980 57.373 56.400 -0.011 0.000 0.801 580 E CB 0.052 29.736 29.700 -0.026 0.000 0.743 580 E HN 0.326 nan 8.360 nan 0.000 0.453 581 I N 0.103 120.665 120.570 -0.013 0.000 3.030 581 I HA -0.126 4.051 4.170 0.011 0.000 0.270 581 I C 1.982 178.126 176.117 0.045 0.000 1.211 581 I CA -0.089 61.212 61.300 0.000 0.000 1.479 581 I CB 0.091 38.065 38.000 -0.043 0.000 1.105 581 I HN 0.173 nan 8.210 nan 0.000 0.447 582 L N 0.577 121.827 121.223 0.043 0.000 2.141 582 L HA -0.168 4.179 4.340 0.011 0.000 0.209 582 L C 2.492 179.436 176.870 0.124 0.000 1.094 582 L CA 1.801 56.710 54.840 0.116 0.000 0.763 582 L CB -0.680 41.442 42.059 0.104 0.000 0.908 582 L HN 0.221 nan 8.230 nan 0.000 0.437 583 Q N -0.808 119.040 119.800 0.079 0.000 2.008 583 Q HA 0.037 4.384 4.340 0.011 0.000 0.196 583 Q C 2.331 178.370 176.000 0.066 0.000 0.973 583 Q CA 1.500 57.343 55.803 0.066 0.000 0.826 583 Q CB -0.963 27.801 28.738 0.043 0.000 0.894 583 Q HN 0.479 nan 8.270 nan 0.000 0.439 584 A N 1.395 124.249 122.820 0.057 0.000 2.148 584 A HA -0.218 4.109 4.320 0.011 0.000 0.222 584 A C 1.266 178.893 177.584 0.073 0.000 1.161 584 A CA 2.035 54.104 52.037 0.054 0.000 0.662 584 A CB -0.302 18.724 19.000 0.043 0.000 0.799 584 A HN 0.235 nan 8.150 nan 0.000 0.466 585 D N -1.418 119.044 120.400 0.105 0.000 2.463 585 D HA 0.256 4.903 4.640 0.011 0.000 0.237 585 D C 2.183 178.537 176.300 0.090 0.000 1.013 585 D CA 0.977 55.052 54.000 0.124 0.000 0.910 585 D CB -0.492 40.450 40.800 0.236 0.000 1.080 585 D HN 0.313 nan 8.370 nan 0.000 0.498 586 A N 0.998 123.876 122.820 0.097 0.000 2.032 586 A HA -0.088 4.238 4.320 0.011 0.000 0.221 586 A C 1.304 178.915 177.584 0.044 0.000 1.165 586 A CA 1.068 53.147 52.037 0.071 0.000 0.645 586 A CB -0.633 18.415 19.000 0.079 0.000 0.807 586 A HN 0.423 nan 8.150 nan 0.000 0.453 587 I N -5.471 115.125 120.570 0.043 0.000 2.917 587 I HA 0.573 4.749 4.170 0.011 0.000 0.292 587 I C -0.348 175.787 176.117 0.030 0.000 1.510 587 I CA -0.384 60.934 61.300 0.031 0.000 0.858 587 I CB 0.542 38.558 38.000 0.026 0.000 1.862 587 I HN 0.036 nan 8.210 nan 0.000 0.615 588 N N 1.655 120.374 118.700 0.032 0.000 3.585 588 N HA 0.113 4.859 4.740 0.011 0.000 0.135 588 N C -0.442 175.090 175.510 0.036 0.000 0.988 588 N CA 0.509 53.578 53.050 0.031 0.000 3.015 588 N CB -0.052 38.455 38.487 0.033 0.000 1.178 588 N HN 0.752 nan 8.380 nan 0.000 0.799 589 G N -1.348 107.473 108.800 0.035 0.000 3.176 589 G HA2 0.532 4.499 3.960 0.011 0.000 0.272 589 G HA3 0.532 4.499 3.960 0.011 0.000 0.272 589 G C -0.606 174.306 174.900 0.020 0.000 1.349 589 G CA -0.266 44.856 45.100 0.037 0.000 0.953 589 G HN 0.045 nan 8.290 nan 0.000 0.559 590 T N 1.066 115.630 114.554 0.016 0.000 2.855 590 T HA 0.284 4.641 4.350 0.011 0.000 0.322 590 T C -0.520 174.174 174.700 -0.011 0.000 1.088 590 T CA 0.408 62.511 62.100 0.004 0.000 1.104 590 T CB 0.538 69.408 68.868 0.004 0.000 0.996 590 T HN 0.362 nan 8.240 nan 0.000 0.549 591 D N 0.399 120.795 120.400 -0.008 0.000 2.450 591 D HA 0.314 4.960 4.640 0.011 0.000 0.238 591 D C 0.162 176.454 176.300 -0.012 0.000 1.020 591 D CA -0.660 53.333 54.000 -0.011 0.000 1.010 591 D CB 1.067 41.864 40.800 -0.005 0.000 1.342 591 D HN 0.369 nan 8.370 nan 0.000 0.530 592 N N 0.610 119.302 118.700 -0.013 0.000 2.148 592 N HA 0.065 4.812 4.740 0.011 0.000 0.212 592 N C 0.138 175.646 175.510 -0.004 0.000 1.340 592 N CA 0.730 53.774 53.050 -0.010 0.000 0.882 592 N CB 0.611 39.092 38.487 -0.010 0.000 1.085 592 N HN 0.465 nan 8.380 nan 0.000 0.437 593 E N -2.084 118.116 120.200 -0.001 0.000 2.415 593 E HA 0.433 4.790 4.350 0.011 0.000 0.271 593 E C -1.568 175.034 176.600 0.003 0.000 1.094 593 E CA -0.629 55.773 56.400 0.002 0.000 0.881 593 E CB 0.783 30.486 29.700 0.005 0.000 1.581 593 E HN 0.247 nan 8.360 nan 0.000 0.460 594 V N -0.756 119.161 119.914 0.005 0.000 3.157 594 V HA 0.441 4.568 4.120 0.011 0.000 0.361 594 V C -0.464 175.634 176.094 0.007 0.000 1.421 594 V CA -0.266 62.038 62.300 0.006 0.000 1.213 594 V CB 0.184 32.010 31.823 0.005 0.000 1.164 594 V HN 0.537 nan 8.190 nan 0.000 0.559 595 V N 0.716 120.635 119.914 0.009 0.000 3.584 595 V HA -0.161 3.965 4.120 0.011 0.000 0.512 595 V C 0.917 177.016 176.094 0.009 0.000 0.682 595 V CA 1.531 63.837 62.300 0.010 0.000 2.064 595 V CB -1.484 30.345 31.823 0.011 0.000 2.486 595 V HN 1.194 nan 8.190 nan 0.000 0.511 596 T N 1.689 116.248 114.554 0.009 0.000 2.482 596 T HA 0.821 5.177 4.350 0.011 0.000 0.211 596 T C -0.213 174.492 174.700 0.008 0.000 0.922 596 T CA 0.055 62.159 62.100 0.008 0.000 1.141 596 T CB 1.577 70.450 68.868 0.008 0.000 2.503 596 T HN 1.232 nan 8.240 nan 0.000 0.487 597 V N 2.128 122.046 119.914 0.007 0.000 2.482 597 V HA 0.495 4.621 4.120 0.011 0.000 0.295 597 V C 0.112 176.210 176.094 0.006 0.000 1.026 597 V CA -0.073 62.230 62.300 0.006 0.000 0.856 597 V CB 0.554 32.380 31.823 0.005 0.000 1.001 597 V HN 1.348 nan 8.190 nan 0.000 0.424 598 T N 0.471 115.029 114.554 0.006 0.000 3.639 598 T HA -0.255 4.102 4.350 0.011 0.000 0.386 598 T C 0.393 175.098 174.700 0.007 0.000 0.764 598 T CA 1.473 63.576 62.100 0.006 0.000 1.954 598 T CB -1.452 67.418 68.868 0.004 0.000 1.755 598 T HN 0.860 nan 8.240 nan 0.000 0.715 599 D N 0.796 121.202 120.400 0.009 0.000 2.306 599 D HA 0.118 4.765 4.640 0.011 0.000 0.239 599 D C 1.716 178.024 176.300 0.013 0.000 1.105 599 D CA 1.053 55.059 54.000 0.011 0.000 0.950 599 D CB 0.092 40.900 40.800 0.013 0.000 1.036 599 D HN 0.674 nan 8.370 nan 0.000 0.428 600 E N -1.492 118.717 120.200 0.015 0.000 2.441 600 E HA 0.082 4.439 4.350 0.011 0.000 0.212 600 E C -0.075 176.535 176.600 0.016 0.000 0.840 600 E CA -0.151 56.260 56.400 0.018 0.000 1.143 600 E CB 0.264 29.979 29.700 0.025 0.000 1.153 600 E HN 0.064 nan 8.360 nan 0.000 0.539 601 N N 1.050 119.759 118.700 0.016 0.000 2.802 601 N HA 0.105 4.852 4.740 0.011 0.000 0.288 601 N C -0.321 175.194 175.510 0.008 0.000 1.268 601 N CA 0.708 53.766 53.050 0.014 0.000 1.035 601 N CB 0.621 39.118 38.487 0.017 0.000 1.353 601 N HN 0.084 nan 8.380 nan 0.000 0.522 602 T N -0.849 113.708 114.554 0.005 0.000 13.341 602 T HA -0.266 4.091 4.350 0.011 0.000 0.419 602 T C 0.777 175.478 174.700 0.002 0.000 1.441 602 T CA 2.051 64.151 62.100 0.001 0.000 2.358 602 T CB -1.274 67.592 68.868 -0.004 0.000 2.804 602 T HN 0.558 nan 8.240 nan 0.000 0.594 603 G N 1.953 110.755 108.800 0.003 0.000 3.748 603 G HA2 0.506 4.473 3.960 0.011 0.000 0.292 603 G HA3 0.506 4.473 3.960 0.011 0.000 0.292 603 G C -0.965 173.938 174.900 0.005 0.000 3.340 603 G CA -0.402 44.700 45.100 0.004 0.000 0.603 603 G HN 0.543 nan 8.290 nan 0.000 0.290 604 E N 0.373 120.577 120.200 0.007 0.000 2.280 604 E HA 0.525 4.881 4.350 0.011 0.000 0.264 604 E C -0.097 176.508 176.600 0.008 0.000 1.064 604 E CA -0.738 55.667 56.400 0.009 0.000 0.900 604 E CB 2.042 31.749 29.700 0.012 0.000 1.123 604 E HN 0.318 nan 8.360 nan 0.000 0.418 605 I N 2.236 122.811 120.570 0.009 0.000 2.778 605 I HA 0.138 4.314 4.170 0.011 0.000 0.285 605 I C -0.209 175.913 176.117 0.008 0.000 1.236 605 I CA 0.010 61.315 61.300 0.008 0.000 1.089 605 I CB -0.176 37.828 38.000 0.007 0.000 1.601 605 I HN 0.516 nan 8.210 nan 0.000 0.573 606 S N 3.311 119.016 115.700 0.009 0.000 3.083 606 S HA 0.424 4.901 4.470 0.011 0.000 0.290 606 S C -1.558 173.047 174.600 0.009 0.000 1.249 606 S CA -0.890 57.315 58.200 0.009 0.000 1.445 606 S CB 1.381 64.587 63.200 0.010 0.000 1.384 606 S HN 0.463 nan 8.310 nan 0.000 0.391 607 E N 0.478 120.684 120.200 0.009 0.000 2.597 607 E HA 0.560 4.916 4.350 0.011 0.000 0.310 607 E C -1.123 175.483 176.600 0.010 0.000 0.970 607 E CA -1.049 55.357 56.400 0.009 0.000 0.819 607 E CB 1.275 30.980 29.700 0.008 0.000 1.267 607 E HN 0.922 nan 8.360 nan 0.000 0.411 608 K N 0.291 120.698 120.400 0.010 0.000 1.884 608 K HA 0.672 4.999 4.320 0.011 0.000 0.250 608 K C -0.747 175.858 176.600 0.009 0.000 1.009 608 K CA -0.813 55.480 56.287 0.010 0.000 0.925 608 K CB 1.056 33.563 32.500 0.013 0.000 1.839 608 K HN 0.208 nan 8.250 nan 0.000 0.735 609 V N 2.003 121.922 119.914 0.008 0.000 2.204 609 V HA 0.204 4.331 4.120 0.011 0.000 0.264 609 V C -0.284 175.814 176.094 0.006 0.000 1.106 609 V CA -0.657 61.646 62.300 0.005 0.000 0.947 609 V CB 0.177 32.002 31.823 0.003 0.000 1.164 609 V HN 0.619 nan 8.190 nan 0.000 0.461 610 K N 4.341 124.745 120.400 0.008 0.000 2.250 610 K HA 0.197 4.523 4.320 0.011 0.000 0.277 610 K C -0.002 176.600 176.600 0.002 0.000 1.091 610 K CA -0.204 56.089 56.287 0.010 0.000 1.046 610 K CB -0.015 32.493 32.500 0.014 0.000 0.982 610 K HN 0.545 nan 8.250 nan 0.000 0.429 611 L N 2.812 124.033 121.223 -0.003 0.000 2.483 611 L HA 0.072 4.419 4.340 0.011 0.000 0.276 611 L C 1.068 177.914 176.870 -0.039 0.000 1.213 611 L CA 0.038 54.864 54.840 -0.023 0.000 0.843 611 L CB 0.525 42.566 42.059 -0.028 0.000 1.107 611 L HN 0.731 nan 8.230 nan 0.000 0.487 612 G N -0.630 108.135 108.800 -0.058 0.000 2.441 612 G HA2 0.371 4.337 3.960 0.011 0.000 0.334 612 G HA3 0.371 4.337 3.960 0.011 0.000 0.334 612 G C 0.927 175.734 174.900 -0.156 0.000 1.161 612 G CA 0.235 45.292 45.100 -0.070 0.000 0.935 612 G HN 0.773 nan 8.290 nan 0.000 0.488 613 T N -0.585 113.861 114.554 -0.181 0.000 2.653 613 T HA -0.297 4.060 4.350 0.011 0.000 0.267 613 T C 1.924 176.479 174.700 -0.240 0.000 1.037 613 T CA 2.023 63.923 62.100 -0.332 0.000 1.159 613 T CB -0.392 68.462 68.868 -0.024 0.000 0.859 613 T HN 0.513 nan 8.240 nan 0.000 0.449 614 K N 1.353 121.697 120.400 -0.092 0.000 2.097 614 K HA 0.130 4.456 4.320 0.011 0.000 0.206 614 K C 2.903 179.471 176.600 -0.054 0.000 1.049 614 K CA 1.175 57.439 56.287 -0.039 0.000 0.933 614 K CB -0.516 31.976 32.500 -0.013 0.000 0.717 614 K HN 0.544 nan 8.250 nan 0.000 0.442 615 A N 1.475 124.246 122.820 -0.082 0.000 1.877 615 A HA -0.145 4.182 4.320 0.011 0.000 0.216 615 A C 2.047 179.584 177.584 -0.079 0.000 1.186 615 A CA 1.191 53.187 52.037 -0.068 0.000 0.620 615 A CB -0.381 18.580 19.000 -0.064 0.000 0.822 615 A HN 0.047 nan 8.150 nan 0.000 0.443 616 L N -0.422 120.698 121.223 -0.171 0.000 1.988 616 L HA -0.074 4.273 4.340 0.011 0.000 0.207 616 L C 3.024 179.939 176.870 0.076 0.000 1.071 616 L CA 2.016 56.770 54.840 -0.143 0.000 0.744 616 L CB -1.880 39.864 42.059 -0.524 0.000 0.893 616 L HN 0.420 nan 8.230 nan 0.000 0.433 617 A N -0.141 122.687 122.820 0.013 0.000 2.139 617 A HA -0.149 4.178 4.320 0.011 0.000 0.221 617 A C 2.378 180.101 177.584 0.231 0.000 1.159 617 A CA 1.699 53.923 52.037 0.312 0.000 0.662 617 A CB -1.094 18.056 19.000 0.249 0.000 0.796 617 A HN 0.486 nan 8.150 nan 0.000 0.463 618 G N -1.005 107.861 108.800 0.110 0.000 2.404 618 G HA2 -0.140 3.827 3.960 0.011 0.000 0.213 618 G HA3 -0.140 3.827 3.960 0.011 0.000 0.213 618 G C 1.551 176.482 174.900 0.051 0.000 1.189 618 G CA 0.801 45.941 45.100 0.067 0.000 0.796 618 G HN 0.633 nan 8.290 nan 0.000 0.532 619 Q N -0.649 119.148 119.800 -0.006 0.000 2.084 619 Q HA -0.136 4.211 4.340 0.011 0.000 0.202 619 Q C 2.327 178.259 176.000 -0.113 0.000 0.978 619 Q CA 1.273 56.982 55.803 -0.157 0.000 0.844 619 Q CB -0.227 28.348 28.738 -0.272 0.000 0.898 619 Q HN 0.707 nan 8.270 nan 0.000 0.426 620 W N 0.950 122.356 121.300 0.178 0.000 2.355 620 W HA -0.130 4.537 4.660 0.011 0.000 0.309 620 W C 1.960 178.611 176.519 0.220 0.000 1.206 620 W CA 0.571 58.070 57.345 0.257 0.000 1.284 620 W CB -0.181 29.436 29.460 0.261 0.000 1.145 620 W HN 0.078 nan 8.180 nan 0.000 0.502 621 L N -0.115 121.337 121.223 0.381 0.000 2.083 621 L HA -0.152 4.194 4.340 0.011 0.000 0.209 621 L C 2.313 179.277 176.870 0.157 0.000 1.083 621 L CA 1.076 56.058 54.840 0.236 0.000 0.752 621 L CB -1.139 41.018 42.059 0.164 0.000 0.899 621 L HN -0.032 nan 8.230 nan 0.000 0.433 622 A N -1.995 120.886 122.820 0.103 0.000 2.250 622 A HA -0.131 4.195 4.320 0.011 0.000 0.208 622 A C 1.577 179.167 177.584 0.011 0.000 1.254 622 A CA 0.595 52.639 52.037 0.012 0.000 0.858 622 A CB -0.571 18.394 19.000 -0.059 0.000 0.820 622 A HN 0.574 nan 8.150 nan 0.000 0.484 623 Y N -1.385 118.907 120.300 -0.012 0.000 2.723 623 Y HA 0.392 4.949 4.550 0.011 0.000 0.272 623 Y C 0.950 176.908 175.900 0.097 0.000 1.142 623 Y CA 0.805 58.911 58.100 0.011 0.000 1.217 623 Y CB 0.587 39.093 38.460 0.078 0.000 1.391 623 Y HN 0.571 nan 8.280 nan 0.000 0.479 624 G N 1.870 110.777 108.800 0.179 0.000 3.026 624 G HA2 -0.130 3.837 3.960 0.011 0.000 0.252 624 G HA3 -0.130 3.837 3.960 0.011 0.000 0.252 624 G C -1.085 173.966 174.900 0.253 0.000 1.070 624 G CA -0.126 45.024 45.100 0.083 0.000 1.183 624 G HN 0.318 nan 8.290 nan 0.000 0.571 625 V N 2.540 122.665 119.914 0.352 0.000 2.397 625 V HA 0.538 4.664 4.120 0.011 0.000 0.262 625 V C 1.345 177.517 176.094 0.129 0.000 1.047 625 V CA 0.837 63.313 62.300 0.294 0.000 1.003 625 V CB 0.198 32.123 31.823 0.170 0.000 1.037 625 V HN 1.079 nan 8.190 nan 0.000 0.480 626 T N 2.706 117.330 114.554 0.117 0.000 2.819 626 T HA 0.395 4.751 4.350 0.011 0.000 0.271 626 T C 1.379 176.090 174.700 0.018 0.000 0.986 626 T CA -0.388 61.742 62.100 0.050 0.000 0.989 626 T CB 1.097 69.989 68.868 0.041 0.000 1.396 626 T HN 0.568 nan 8.240 nan 0.000 0.597 627 R N 0.714 121.220 120.500 0.011 0.000 2.103 627 R HA -0.114 4.233 4.340 0.011 0.000 0.242 627 R C 2.188 178.462 176.300 -0.043 0.000 1.142 627 R CA 2.152 58.257 56.100 0.009 0.000 0.960 627 R CB -1.463 28.863 30.300 0.044 0.000 0.858 627 R HN 0.669 nan 8.270 nan 0.000 0.439 628 S N 0.786 116.467 115.700 -0.031 0.000 2.469 628 S HA -0.054 4.422 4.470 0.011 0.000 0.238 628 S C 1.979 176.544 174.600 -0.060 0.000 0.998 628 S CA 1.127 59.293 58.200 -0.056 0.000 0.957 628 S CB -0.230 62.966 63.200 -0.006 0.000 0.764 628 S HN 0.211 nan 8.310 nan 0.000 0.514 629 V N 2.385 122.278 119.914 -0.036 0.000 2.788 629 V HA -0.036 4.090 4.120 0.011 0.000 0.251 629 V C 2.854 178.846 176.094 -0.169 0.000 1.068 629 V CA 1.699 63.958 62.300 -0.068 0.000 1.090 629 V CB -0.920 30.872 31.823 -0.052 0.000 0.710 629 V HN 0.863 nan 8.190 nan 0.000 0.467 630 T N -3.913 110.535 114.554 -0.178 0.000 3.014 630 T HA 0.048 4.405 4.350 0.011 0.000 0.250 630 T C 1.836 176.369 174.700 -0.278 0.000 1.060 630 T CA 0.126 62.088 62.100 -0.230 0.000 1.040 630 T CB 0.112 68.879 68.868 -0.169 0.000 0.971 630 T HN 0.129 nan 8.240 nan 0.000 0.497 631 K N 1.834 122.009 120.400 -0.374 0.000 2.030 631 K HA -0.258 4.068 4.320 0.011 0.000 0.222 631 K C 2.455 178.732 176.600 -0.538 0.000 1.056 631 K CA 2.269 58.087 56.287 -0.781 0.000 0.957 631 K CB -0.507 31.611 32.500 -0.637 0.000 0.727 631 K HN 0.354 nan 8.250 nan 0.000 0.452 632 R N 0.740 121.050 120.500 -0.316 0.000 2.112 632 R HA -0.118 4.229 4.340 0.011 0.000 0.242 632 R C 2.340 178.563 176.300 -0.129 0.000 1.137 632 R CA 2.611 58.605 56.100 -0.176 0.000 0.944 632 R CB -0.789 29.440 30.300 -0.119 0.000 0.857 632 R HN 0.250 nan 8.270 nan 0.000 0.435 633 S N -0.588 114.972 115.700 -0.233 0.000 2.368 633 S HA -0.105 4.371 4.470 0.011 0.000 0.225 633 S C 1.960 176.456 174.600 -0.174 0.000 1.030 633 S CA 1.382 59.366 58.200 -0.361 0.000 0.999 633 S CB -0.254 62.282 63.200 -1.107 0.000 0.844 633 S HN 0.198 nan 8.310 nan 0.000 0.459 634 V N 1.867 121.703 119.914 -0.130 0.000 2.548 634 V HA -0.103 4.024 4.120 0.011 0.000 0.249 634 V C 2.200 178.346 176.094 0.087 0.000 1.055 634 V CA 1.400 63.721 62.300 0.035 0.000 1.065 634 V CB -0.733 31.199 31.823 0.181 0.000 0.681 634 V HN 0.440 nan 8.190 nan 0.000 0.462 635 M N 0.954 120.593 119.600 0.065 0.000 2.086 635 M HA -0.151 4.336 4.480 0.011 0.000 0.261 635 M C 2.235 178.486 176.300 -0.083 0.000 1.067 635 M CA 2.328 57.650 55.300 0.037 0.000 1.116 635 M CB -0.681 31.935 32.600 0.026 0.000 1.348 635 M HN 0.587 nan 8.290 nan 0.000 0.407 636 T N -1.313 113.248 114.554 0.012 0.000 3.148 636 T HA 0.043 4.399 4.350 0.011 0.000 0.253 636 T C 1.471 176.215 174.700 0.073 0.000 1.134 636 T CA 0.100 62.224 62.100 0.041 0.000 1.051 636 T CB -0.323 68.693 68.868 0.247 0.000 0.959 636 T HN 0.218 nan 8.240 nan 0.000 0.525 637 L N 1.855 123.146 121.223 0.112 0.000 2.012 637 L HA 0.120 4.466 4.340 0.011 0.000 0.210 637 L C 2.732 179.668 176.870 0.110 0.000 1.073 637 L CA 1.998 56.956 54.840 0.197 0.000 0.748 637 L CB -1.021 41.157 42.059 0.199 0.000 0.891 637 L HN 0.363 nan 8.230 nan 0.000 0.431 638 A N -1.952 120.852 122.820 -0.027 0.000 2.172 638 A HA -0.161 4.166 4.320 0.011 0.000 0.216 638 A C 1.301 178.916 177.584 0.052 0.000 1.154 638 A CA 1.089 53.126 52.037 0.001 0.000 0.701 638 A CB -0.831 18.106 19.000 -0.106 0.000 0.789 638 A HN 0.602 nan 8.150 nan 0.000 0.465 639 Y N -1.002 119.371 120.300 0.122 0.000 2.493 639 Y HA 0.394 4.951 4.550 0.011 0.000 0.275 639 Y C 1.759 177.705 175.900 0.076 0.000 1.183 639 Y CA -0.540 57.611 58.100 0.085 0.000 1.258 639 Y CB -0.500 38.020 38.460 0.100 0.000 1.108 639 Y HN 0.387 nan 8.280 nan 0.000 0.521 640 G N -0.434 108.481 108.800 0.193 0.000 2.175 640 G HA2 -0.286 3.680 3.960 0.011 0.000 0.244 640 G HA3 -0.286 3.680 3.960 0.011 0.000 0.244 640 G C 0.441 175.380 174.900 0.065 0.000 0.982 640 G CA 0.281 45.448 45.100 0.112 0.000 0.641 640 G HN 0.350 nan 8.290 nan 0.000 0.527 641 S N 0.761 116.527 115.700 0.111 0.000 2.525 641 S HA 0.490 4.967 4.470 0.011 0.000 0.285 641 S C 0.858 175.324 174.600 -0.223 0.000 1.283 641 S CA 0.433 58.645 58.200 0.020 0.000 1.072 641 S CB 0.454 63.770 63.200 0.193 0.000 0.867 641 S HN 0.408 nan 8.310 nan 0.000 0.492 642 K N 3.066 123.174 120.400 -0.487 0.000 2.270 642 K HA 0.300 4.626 4.320 0.011 0.000 0.248 642 K C 1.347 177.229 176.600 -1.197 0.000 1.076 642 K CA -0.791 55.020 56.287 -0.792 0.000 0.957 642 K CB 0.051 32.203 32.500 -0.581 0.000 1.400 642 K HN 0.721 nan 8.250 nan 0.000 0.573 643 E N 0.360 120.032 120.200 -0.881 0.000 2.070 643 E HA -0.222 4.134 4.350 0.011 0.000 0.197 643 E C 1.806 178.236 176.600 -0.284 0.000 1.004 643 E CA 1.564 57.667 56.400 -0.496 0.000 0.805 643 E CB -0.131 29.349 29.700 -0.365 0.000 0.744 643 E HN 0.401 nan 8.360 nan 0.000 0.451 644 F N 0.763 120.522 119.950 -0.317 0.000 2.069 644 F HA -0.120 4.413 4.527 0.011 0.000 0.298 644 F C 2.053 177.769 175.800 -0.140 0.000 1.113 644 F CA 2.048 59.942 58.000 -0.177 0.000 1.214 644 F CB -0.942 37.964 39.000 -0.157 0.000 0.978 644 F HN 0.027 nan 8.300 nan 0.000 0.474 645 G N 0.061 108.648 108.800 -0.356 0.000 2.505 645 G HA2 -0.318 3.649 3.960 0.011 0.000 0.220 645 G HA3 -0.318 3.649 3.960 0.011 0.000 0.220 645 G C 1.620 176.429 174.900 -0.152 0.000 1.145 645 G CA 1.145 46.059 45.100 -0.310 0.000 0.761 645 G HN 0.380 nan 8.290 nan 0.000 0.571 646 F N 0.750 120.612 119.950 -0.147 0.000 2.171 646 F HA 0.048 4.582 4.527 0.011 0.000 0.300 646 F C 2.598 178.299 175.800 -0.166 0.000 1.090 646 F CA 0.775 58.706 58.000 -0.115 0.000 1.293 646 F CB -0.992 37.978 39.000 -0.050 0.000 1.013 646 F HN 0.108 nan 8.300 nan 0.000 0.486 647 R N 0.085 120.559 120.500 -0.045 0.000 2.117 647 R HA -0.230 4.117 4.340 0.011 0.000 0.243 647 R C 2.122 178.323 176.300 -0.165 0.000 1.143 647 R CA 1.531 57.564 56.100 -0.112 0.000 0.968 647 R CB -0.107 30.080 30.300 -0.188 0.000 0.863 647 R HN 0.154 nan 8.270 nan 0.000 0.444 648 Q N 0.217 119.854 119.800 -0.271 0.000 2.083 648 Q HA -0.096 4.250 4.340 0.011 0.000 0.198 648 Q C 2.004 177.944 176.000 -0.100 0.000 0.969 648 Q CA 1.623 57.299 55.803 -0.213 0.000 0.838 648 Q CB 0.006 28.578 28.738 -0.276 0.000 0.900 648 Q HN 0.445 nan 8.270 nan 0.000 0.436 649 Q N -0.768 119.001 119.800 -0.051 0.000 2.020 649 Q HA -0.115 4.231 4.340 0.011 0.000 0.202 649 Q C 2.102 178.074 176.000 -0.045 0.000 0.982 649 Q CA 1.700 57.488 55.803 -0.024 0.000 0.838 649 Q CB -0.220 28.528 28.738 0.017 0.000 0.899 649 Q HN 0.179 nan 8.270 nan 0.000 0.423 650 V N 1.100 120.985 119.914 -0.048 0.000 2.332 650 V HA -0.267 3.859 4.120 0.011 0.000 0.248 650 V C 2.183 178.246 176.094 -0.053 0.000 1.055 650 V CA 1.589 63.857 62.300 -0.054 0.000 1.038 650 V CB -0.597 31.194 31.823 -0.053 0.000 0.651 650 V HN 0.311 nan 8.190 nan 0.000 0.450 651 L N 0.327 121.511 121.223 -0.065 0.000 1.961 651 L HA -0.181 4.166 4.340 0.011 0.000 0.210 651 L C 2.378 179.200 176.870 -0.080 0.000 1.072 651 L CA 2.165 56.951 54.840 -0.091 0.000 0.749 651 L CB -0.781 41.228 42.059 -0.084 0.000 0.889 651 L HN 0.330 nan 8.230 nan 0.000 0.432 652 E N -0.532 119.631 120.200 -0.063 0.000 2.072 652 E HA -0.188 4.169 4.350 0.011 0.000 0.191 652 E C 1.895 178.473 176.600 -0.037 0.000 0.985 652 E CA 1.472 57.843 56.400 -0.048 0.000 0.801 652 E CB -0.121 29.553 29.700 -0.043 0.000 0.750 652 E HN 0.550 nan 8.360 nan 0.000 0.452 653 D N -0.622 119.756 120.400 -0.037 0.000 2.123 653 D HA -0.056 4.591 4.640 0.011 0.000 0.200 653 D C 1.678 177.971 176.300 -0.011 0.000 0.976 653 D CA 1.291 55.276 54.000 -0.026 0.000 0.831 653 D CB 0.016 40.794 40.800 -0.037 0.000 0.974 653 D HN 0.123 nan 8.370 nan 0.000 0.469 654 T N 0.359 114.900 114.554 -0.022 0.000 3.082 654 T HA 0.105 4.462 4.350 0.011 0.000 0.235 654 T C 1.991 176.660 174.700 -0.052 0.000 0.991 654 T CA -0.117 61.982 62.100 -0.002 0.000 1.220 654 T CB 0.177 69.049 68.868 0.008 0.000 0.909 654 T HN -0.112 nan 8.240 nan 0.000 0.424 655 I N 1.745 122.210 120.570 -0.175 0.000 2.104 655 I HA -0.168 4.008 4.170 0.011 0.000 0.218 655 I C 2.585 178.644 176.117 -0.096 0.000 1.048 655 I CA 1.467 62.599 61.300 -0.279 0.000 1.344 655 I CB -0.896 36.816 38.000 -0.480 0.000 1.116 655 I HN 0.245 nan 8.210 nan 0.000 0.392 656 Q N 0.616 120.362 119.800 -0.091 0.000 2.135 656 Q HA -0.276 4.071 4.340 0.011 0.000 0.218 656 Q C -0.469 175.529 176.000 -0.003 0.000 1.058 656 Q CA 2.913 58.694 55.803 -0.038 0.000 0.926 656 Q CB -2.021 26.693 28.738 -0.040 0.000 1.065 656 Q HN 0.508 nan 8.270 nan 0.000 0.433 657 P HA -0.198 nan 4.420 nan 0.000 0.218 657 P C 0.626 177.959 177.300 0.055 0.000 1.146 657 P CA 2.166 65.281 63.100 0.024 0.000 0.813 657 P CB -0.015 31.699 31.700 0.023 0.000 0.778 658 A N -1.010 121.862 122.820 0.086 0.000 1.943 658 A HA 0.004 4.330 4.320 0.011 0.000 0.213 658 A C 2.108 179.767 177.584 0.125 0.000 1.181 658 A CA 0.600 52.725 52.037 0.146 0.000 0.653 658 A CB -1.110 18.057 19.000 0.279 0.000 0.833 658 A HN 0.028 nan 8.150 nan 0.000 0.451 659 I N 1.003 121.635 120.570 0.103 0.000 2.252 659 I HA -0.177 4.000 4.170 0.011 0.000 0.245 659 I C 1.388 177.536 176.117 0.053 0.000 1.102 659 I CA 1.421 62.772 61.300 0.086 0.000 1.385 659 I CB -0.410 37.628 38.000 0.062 0.000 1.064 659 I HN 0.232 nan 8.210 nan 0.000 0.414 660 D N -0.937 119.486 120.400 0.039 0.000 2.224 660 D HA -0.087 4.560 4.640 0.011 0.000 0.205 660 D C 2.143 178.460 176.300 0.028 0.000 0.965 660 D CA 0.902 54.917 54.000 0.025 0.000 0.852 660 D CB -0.206 40.603 40.800 0.014 0.000 0.947 660 D HN 0.145 nan 8.370 nan 0.000 0.494 661 S N -0.900 114.824 115.700 0.040 0.000 2.650 661 S HA 0.197 4.674 4.470 0.011 0.000 0.219 661 S C 1.682 176.303 174.600 0.035 0.000 0.960 661 S CA 0.788 59.010 58.200 0.037 0.000 0.925 661 S CB -0.509 62.719 63.200 0.047 0.000 0.775 661 S HN 0.381 nan 8.310 nan 0.000 0.525 662 G N 1.527 110.349 108.800 0.037 0.000 2.343 662 G HA2 -0.360 3.607 3.960 0.011 0.000 0.264 662 G HA3 -0.360 3.607 3.960 0.011 0.000 0.264 662 G C 0.585 175.503 174.900 0.030 0.000 0.989 662 G CA 1.059 46.177 45.100 0.030 0.000 0.627 662 G HN 0.578 nan 8.290 nan 0.000 0.549 663 K N 1.169 121.592 120.400 0.038 0.000 3.006 663 K HA 0.527 4.854 4.320 0.011 0.000 0.262 663 K C 0.440 177.074 176.600 0.057 0.000 1.289 663 K CA 0.450 56.755 56.287 0.030 0.000 1.245 663 K CB -0.366 32.147 32.500 0.021 0.000 1.614 663 K HN 0.981 nan 8.250 nan 0.000 0.322 664 G N 1.630 110.459 108.800 0.049 0.000 2.287 664 G HA2 0.238 4.205 3.960 0.011 0.000 0.303 664 G HA3 0.238 4.205 3.960 0.011 0.000 0.303 664 G C -0.731 174.156 174.900 -0.022 0.000 2.212 664 G CA -0.567 44.565 45.100 0.053 0.000 0.928 664 G HN 0.254 nan 8.290 nan 0.000 0.440 665 L N 1.862 123.011 121.223 -0.123 0.000 2.766 665 L HA 0.310 4.656 4.340 0.011 0.000 0.242 665 L C 2.377 179.096 176.870 -0.253 0.000 1.136 665 L CA 0.176 54.939 54.840 -0.127 0.000 0.933 665 L CB 0.061 42.075 42.059 -0.076 0.000 1.241 665 L HN 0.528 nan 8.230 nan 0.000 0.522 666 M N -0.583 118.719 119.600 -0.496 0.000 2.144 666 M HA -0.113 4.374 4.480 0.011 0.000 0.260 666 M C 0.094 176.051 176.300 -0.573 0.000 1.067 666 M CA 1.501 56.433 55.300 -0.614 0.000 1.095 666 M CB -0.798 31.242 32.600 -0.933 0.000 1.365 666 M HN -0.076 nan 8.290 nan 0.000 0.406 667 F N 0.466 120.309 119.950 -0.178 0.000 2.420 667 F HA 0.393 4.927 4.527 0.011 0.000 0.352 667 F C 1.568 177.300 175.800 -0.112 0.000 1.108 667 F CA -0.564 57.322 58.000 -0.192 0.000 1.162 667 F CB -0.092 38.760 39.000 -0.245 0.000 1.118 667 F HN 0.121 nan 8.300 nan 0.000 0.510 668 T N -1.474 113.121 114.554 0.068 0.000 3.114 668 T HA 0.078 4.435 4.350 0.011 0.000 0.240 668 T C 0.607 175.330 174.700 0.037 0.000 0.983 668 T CA 0.091 62.209 62.100 0.031 0.000 1.151 668 T CB -0.098 68.772 68.868 0.003 0.000 0.974 668 T HN 0.320 nan 8.240 nan 0.000 0.442 669 Q N 3.215 123.037 119.800 0.036 0.000 2.560 669 Q HA 0.392 4.739 4.340 0.011 0.000 0.238 669 Q C -1.996 174.018 176.000 0.023 0.000 1.079 669 Q CA -2.748 53.070 55.803 0.026 0.000 0.866 669 Q CB 1.652 30.403 28.738 0.022 0.000 1.153 669 Q HN 0.176 nan 8.270 nan 0.000 0.530 670 P HA -0.182 nan 4.420 nan 0.000 0.216 670 P C 0.218 177.487 177.300 -0.052 0.000 1.150 670 P CA 1.164 64.218 63.100 -0.078 0.000 0.837 670 P CB 0.374 32.010 31.700 -0.106 0.000 0.786 671 N N 0.038 118.732 118.700 -0.011 0.000 2.223 671 N HA -0.158 4.589 4.740 0.011 0.000 0.185 671 N C 2.044 177.582 175.510 0.048 0.000 1.016 671 N CA 1.021 54.078 53.050 0.013 0.000 0.863 671 N CB -0.356 38.143 38.487 0.020 0.000 0.983 671 N HN 0.361 nan 8.380 nan 0.000 0.429 672 Q N 0.460 120.292 119.800 0.054 0.000 2.137 672 Q HA 0.106 4.452 4.340 0.011 0.000 0.198 672 Q C 2.044 178.130 176.000 0.143 0.000 0.960 672 Q CA 0.958 56.811 55.803 0.084 0.000 0.847 672 Q CB 0.027 28.800 28.738 0.057 0.000 0.915 672 Q HN 0.334 nan 8.270 nan 0.000 0.448 673 A N 0.552 123.448 122.820 0.126 0.000 1.908 673 A HA -0.163 4.164 4.320 0.011 0.000 0.218 673 A C 2.185 180.013 177.584 0.407 0.000 1.181 673 A CA 1.740 53.915 52.037 0.229 0.000 0.627 673 A CB -0.859 18.140 19.000 -0.002 0.000 0.818 673 A HN 0.483 nan 8.150 nan 0.000 0.445 674 A N -0.641 122.305 122.820 0.210 0.000 1.897 674 A HA 0.219 4.546 4.320 0.011 0.000 0.215 674 A C 2.412 180.095 177.584 0.165 0.000 1.181 674 A CA 1.665 53.816 52.037 0.189 0.000 0.620 674 A CB -1.347 17.685 19.000 0.054 0.000 0.821 674 A HN 0.732 nan 8.150 nan 0.000 0.443 675 G N -1.373 107.522 108.800 0.157 0.000 2.442 675 G HA2 -0.299 3.667 3.960 0.011 0.000 0.219 675 G HA3 -0.299 3.667 3.960 0.011 0.000 0.219 675 G C 1.524 176.541 174.900 0.196 0.000 1.141 675 G CA 1.404 46.593 45.100 0.147 0.000 0.763 675 G HN 0.570 nan 8.290 nan 0.000 0.554 676 Y N 0.605 120.980 120.300 0.125 0.000 2.092 676 Y HA -0.055 4.501 4.550 0.011 0.000 0.282 676 Y C 2.751 178.685 175.900 0.057 0.000 1.126 676 Y CA 2.045 60.218 58.100 0.121 0.000 1.111 676 Y CB -0.502 38.071 38.460 0.190 0.000 0.987 676 Y HN 0.197 nan 8.280 nan 0.000 0.489 677 M N 1.218 120.812 119.600 -0.009 0.000 2.088 677 M HA -0.219 4.268 4.480 0.011 0.000 0.256 677 M C 2.232 178.385 176.300 -0.244 0.000 1.071 677 M CA 2.437 57.494 55.300 -0.405 0.000 1.097 677 M CB -1.351 30.892 32.600 -0.595 0.000 1.315 677 M HN 0.360 nan 8.290 nan 0.000 0.406 678 A N -0.590 122.200 122.820 -0.049 0.000 2.032 678 A HA -0.253 4.074 4.320 0.011 0.000 0.221 678 A C 2.302 179.981 177.584 0.159 0.000 1.165 678 A CA 2.226 54.324 52.037 0.100 0.000 0.645 678 A CB -0.921 18.161 19.000 0.135 0.000 0.807 678 A HN 0.691 nan 8.150 nan 0.000 0.453 679 K N -0.339 120.093 120.400 0.053 0.000 2.062 679 K HA 0.029 4.356 4.320 0.011 0.000 0.205 679 K C 1.828 178.442 176.600 0.023 0.000 1.051 679 K CA 0.962 57.300 56.287 0.085 0.000 0.941 679 K CB -0.241 32.289 32.500 0.051 0.000 0.719 679 K HN 0.492 nan 8.250 nan 0.000 0.440 680 L N 0.836 121.940 121.223 -0.198 0.000 2.056 680 L HA -0.149 4.197 4.340 0.011 0.000 0.207 680 L C 2.402 179.177 176.870 -0.159 0.000 1.078 680 L CA 1.068 55.757 54.840 -0.251 0.000 0.749 680 L CB -0.444 41.340 42.059 -0.459 0.000 0.901 680 L HN 0.196 nan 8.230 nan 0.000 0.433 681 I N -0.932 119.550 120.570 -0.147 0.000 2.226 681 I HA -0.344 3.833 4.170 0.011 0.000 0.245 681 I C 2.496 178.601 176.117 -0.021 0.000 1.100 681 I CA 1.521 62.728 61.300 -0.155 0.000 1.374 681 I CB -0.449 37.379 38.000 -0.287 0.000 1.057 681 I HN 0.509 nan 8.210 nan 0.000 0.413 682 W N 2.545 123.888 121.300 0.072 0.000 2.358 682 W HA -0.232 4.434 4.660 0.011 0.000 0.303 682 W C 2.296 178.842 176.519 0.044 0.000 1.208 682 W CA 2.046 59.488 57.345 0.162 0.000 1.274 682 W CB -0.155 29.397 29.460 0.154 0.000 1.138 682 W HN 0.264 nan 8.180 nan 0.000 0.515 683 E N 0.695 120.791 120.200 -0.172 0.000 2.012 683 E HA -0.273 4.084 4.350 0.011 0.000 0.197 683 E C 2.434 178.857 176.600 -0.296 0.000 1.007 683 E CA 2.836 59.096 56.400 -0.232 0.000 0.816 683 E CB -0.502 29.151 29.700 -0.078 0.000 0.762 683 E HN 0.202 nan 8.360 nan 0.000 0.451 684 S N 0.389 115.957 115.700 -0.219 0.000 2.353 684 S HA -0.180 4.297 4.470 0.011 0.000 0.222 684 S C 2.213 176.671 174.600 -0.236 0.000 1.035 684 S CA 1.431 59.513 58.200 -0.197 0.000 1.025 684 S CB -0.914 62.188 63.200 -0.162 0.000 0.902 684 S HN 0.247 nan 8.310 nan 0.000 0.440 685 V N 1.448 121.197 119.914 -0.274 0.000 2.594 685 V HA -0.083 4.044 4.120 0.011 0.000 0.253 685 V C 2.586 178.455 176.094 -0.375 0.000 1.069 685 V CA 2.044 64.181 62.300 -0.271 0.000 1.082 685 V CB -0.668 31.019 31.823 -0.227 0.000 0.680 685 V HN 0.663 nan 8.190 nan 0.000 0.469 686 S N -1.066 114.297 115.700 -0.562 0.000 2.515 686 S HA -0.071 4.405 4.470 0.011 0.000 0.231 686 S C 1.577 175.986 174.600 -0.319 0.000 0.987 686 S CA 1.329 59.168 58.200 -0.603 0.000 0.936 686 S CB 0.086 62.768 63.200 -0.864 0.000 0.766 686 S HN 0.725 nan 8.310 nan 0.000 0.528 687 V N -3.133 116.633 119.914 -0.247 0.000 3.570 687 V HA 0.216 4.342 4.120 0.011 0.000 0.257 687 V C 1.846 177.856 176.094 -0.141 0.000 1.272 687 V CA 0.823 63.025 62.300 -0.163 0.000 1.079 687 V CB -0.661 31.082 31.823 -0.133 0.000 0.829 687 V HN 0.207 nan 8.190 nan 0.000 0.454 688 T N 2.474 116.935 114.554 -0.155 0.000 2.701 688 T HA 0.025 4.381 4.350 0.011 0.000 0.263 688 T C 0.921 175.551 174.700 -0.116 0.000 1.040 688 T CA 2.103 64.126 62.100 -0.128 0.000 1.147 688 T CB -0.234 68.555 68.868 -0.131 0.000 0.865 688 T HN 0.818 nan 8.240 nan 0.000 0.426 689 V N 0.767 120.604 119.914 -0.128 0.000 2.289 689 V HA 0.545 4.672 4.120 0.011 0.000 0.272 689 V C 0.754 176.778 176.094 -0.116 0.000 1.026 689 V CA -0.720 61.519 62.300 -0.102 0.000 0.807 689 V CB 0.884 32.662 31.823 -0.074 0.000 1.044 689 V HN 0.068 nan 8.190 nan 0.000 0.443 690 V N 3.458 123.308 119.914 -0.107 0.000 2.500 690 V HA -0.008 4.119 4.120 0.011 0.000 0.243 690 V C 2.844 178.874 176.094 -0.106 0.000 1.039 690 V CA 2.072 64.307 62.300 -0.109 0.000 1.053 690 V CB -0.506 31.260 31.823 -0.095 0.000 0.695 690 V HN 0.892 nan 8.190 nan 0.000 0.463 691 A N 0.583 123.349 122.820 -0.090 0.000 1.927 691 A HA -0.232 4.094 4.320 0.011 0.000 0.220 691 A C 2.396 179.889 177.584 -0.151 0.000 1.185 691 A CA 2.545 54.527 52.037 -0.092 0.000 0.639 691 A CB -0.842 18.129 19.000 -0.049 0.000 0.820 691 A HN 0.581 nan 8.150 nan 0.000 0.451 692 A N -0.554 122.199 122.820 -0.112 0.000 1.828 692 A HA -0.028 4.298 4.320 0.011 0.000 0.215 692 A C 2.200 179.561 177.584 -0.372 0.000 1.203 692 A CA 2.035 53.933 52.037 -0.232 0.000 0.614 692 A CB -1.333 17.689 19.000 0.036 0.000 0.844 692 A HN 0.569 nan 8.150 nan 0.000 0.445 693 V N 0.153 119.964 119.914 -0.172 0.000 2.277 693 V HA -0.361 3.765 4.120 0.011 0.000 0.253 693 V C 2.570 178.605 176.094 -0.099 0.000 1.067 693 V CA 2.725 64.973 62.300 -0.087 0.000 1.047 693 V CB -0.949 30.834 31.823 -0.067 0.000 0.649 693 V HN 0.757 nan 8.190 nan 0.000 0.447 694 E N -0.165 119.964 120.200 -0.120 0.000 2.051 694 E HA -0.182 4.174 4.350 0.011 0.000 0.192 694 E C 2.214 178.751 176.600 -0.106 0.000 0.991 694 E CA 1.288 57.638 56.400 -0.083 0.000 0.799 694 E CB -0.315 29.332 29.700 -0.087 0.000 0.748 694 E HN 0.584 nan 8.360 nan 0.000 0.449 695 A N 0.235 122.901 122.820 -0.256 0.000 2.067 695 A HA -0.116 4.211 4.320 0.011 0.000 0.219 695 A C 2.076 179.498 177.584 -0.270 0.000 1.158 695 A CA 1.053 52.922 52.037 -0.279 0.000 0.661 695 A CB -0.324 18.421 19.000 -0.425 0.000 0.801 695 A HN 0.259 nan 8.150 nan 0.000 0.452 696 M N -0.711 118.655 119.600 -0.390 0.000 2.123 696 M HA -0.116 4.370 4.480 0.011 0.000 0.263 696 M C 1.865 178.131 176.300 -0.057 0.000 1.069 696 M CA 1.513 56.672 55.300 -0.234 0.000 1.133 696 M CB -0.654 31.822 32.600 -0.206 0.000 1.356 696 M HN 0.539 nan 8.290 nan 0.000 0.415 697 N N -0.452 118.239 118.700 -0.015 0.000 2.104 697 N HA -0.230 4.516 4.740 0.011 0.000 0.190 697 N C 1.479 177.022 175.510 0.055 0.000 1.024 697 N CA 1.283 54.345 53.050 0.021 0.000 0.853 697 N CB -0.206 38.307 38.487 0.044 0.000 1.008 697 N HN 0.351 nan 8.380 nan 0.000 0.424 698 W N 2.158 123.413 121.300 -0.075 0.000 2.333 698 W HA -0.100 4.567 4.660 0.011 0.000 0.316 698 W C 1.807 178.312 176.519 -0.023 0.000 1.215 698 W CA 1.161 58.484 57.345 -0.036 0.000 1.278 698 W CB -0.475 28.961 29.460 -0.039 0.000 1.154 698 W HN -0.022 nan 8.180 nan 0.000 0.486 699 L N 0.534 121.851 121.223 0.155 0.000 2.079 699 L HA -0.265 4.081 4.340 0.011 0.000 0.210 699 L C 2.432 179.217 176.870 -0.142 0.000 1.081 699 L CA 1.805 56.628 54.840 -0.027 0.000 0.752 699 L CB -0.785 41.235 42.059 -0.065 0.000 0.896 699 L HN -0.009 nan 8.230 nan 0.000 0.433 700 K N -0.730 119.607 120.400 -0.104 0.000 2.148 700 K HA -0.078 4.249 4.320 0.011 0.000 0.204 700 K C 2.248 178.754 176.600 -0.157 0.000 1.050 700 K CA 1.348 57.569 56.287 -0.109 0.000 0.942 700 K CB -0.089 32.362 32.500 -0.081 0.000 0.724 700 K HN 0.170 nan 8.250 nan 0.000 0.446 701 S N 1.220 116.799 115.700 -0.201 0.000 2.355 701 S HA -0.128 4.349 4.470 0.011 0.000 0.222 701 S C 2.236 176.661 174.600 -0.291 0.000 1.031 701 S CA 1.149 59.222 58.200 -0.213 0.000 0.993 701 S CB -0.291 62.784 63.200 -0.209 0.000 0.859 701 S HN 0.426 nan 8.310 nan 0.000 0.453 702 A N 1.890 124.420 122.820 -0.484 0.000 1.892 702 A HA -0.051 4.276 4.320 0.011 0.000 0.218 702 A C 2.376 179.659 177.584 -0.502 0.000 1.188 702 A CA 2.018 53.655 52.037 -0.667 0.000 0.631 702 A CB -1.253 17.140 19.000 -1.011 0.000 0.822 702 A HN 0.536 nan 8.150 nan 0.000 0.447 703 A N -0.469 122.170 122.820 -0.302 0.000 1.902 703 A HA -0.168 4.159 4.320 0.011 0.000 0.217 703 A C 2.137 179.646 177.584 -0.125 0.000 1.181 703 A CA 2.064 54.010 52.037 -0.151 0.000 0.623 703 A CB -0.510 18.465 19.000 -0.041 0.000 0.818 703 A HN 0.585 nan 8.150 nan 0.000 0.443 704 K N -0.168 120.152 120.400 -0.133 0.000 2.044 704 K HA -0.149 4.178 4.320 0.011 0.000 0.210 704 K C 1.867 178.406 176.600 -0.102 0.000 1.049 704 K CA 1.768 57.992 56.287 -0.105 0.000 0.927 704 K CB -0.367 32.069 32.500 -0.107 0.000 0.713 704 K HN 0.500 nan 8.250 nan 0.000 0.443 705 L N 0.639 121.785 121.223 -0.128 0.000 2.093 705 L HA -0.166 4.180 4.340 0.011 0.000 0.208 705 L C 2.378 179.174 176.870 -0.124 0.000 1.085 705 L CA 0.881 55.645 54.840 -0.126 0.000 0.755 705 L CB -0.367 41.628 42.059 -0.106 0.000 0.904 705 L HN 0.209 nan 8.230 nan 0.000 0.435 706 L N -0.306 120.851 121.223 -0.110 0.000 2.217 706 L HA -0.065 4.282 4.340 0.011 0.000 0.211 706 L C 2.600 179.453 176.870 -0.028 0.000 1.107 706 L CA 0.789 55.596 54.840 -0.057 0.000 0.783 706 L CB -0.459 41.556 42.059 -0.074 0.000 0.919 706 L HN 0.192 nan 8.230 nan 0.000 0.442 707 A N -0.130 122.672 122.820 -0.030 0.000 2.132 707 A HA 0.367 4.693 4.320 0.011 0.000 0.213 707 A C 1.356 178.931 177.584 -0.016 0.000 1.154 707 A CA 0.406 52.441 52.037 -0.003 0.000 0.753 707 A CB -0.315 18.692 19.000 0.011 0.000 0.826 707 A HN 0.242 nan 8.150 nan 0.000 0.469 708 A N 0.448 123.244 122.820 -0.040 0.000 2.445 708 A HA 0.364 4.691 4.320 0.011 0.000 0.242 708 A C 0.244 177.806 177.584 -0.037 0.000 1.075 708 A CA -0.073 51.938 52.037 -0.043 0.000 0.777 708 A CB -0.002 18.960 19.000 -0.064 0.000 1.013 708 A HN 0.456 nan 8.150 nan 0.000 0.493 709 E N 2.244 122.427 120.200 -0.029 0.000 2.035 709 E HA 0.352 4.709 4.350 0.011 0.000 0.271 709 E C -1.054 175.528 176.600 -0.030 0.000 0.953 709 E CA -0.449 55.937 56.400 -0.024 0.000 0.777 709 E CB 0.973 30.663 29.700 -0.016 0.000 1.104 709 E HN 0.493 nan 8.360 nan 0.000 0.408 710 V N 5.921 125.813 119.914 -0.037 0.000 2.405 710 V HA 0.234 4.361 4.120 0.011 0.000 0.264 710 V C -0.820 175.257 176.094 -0.028 0.000 1.048 710 V CA -0.083 62.194 62.300 -0.039 0.000 0.966 710 V CB 0.344 32.135 31.823 -0.053 0.000 1.015 710 V HN 0.564 nan 8.190 nan 0.000 0.477 711 K N 5.001 125.386 120.400 -0.024 0.000 2.206 711 K HA 0.388 4.715 4.320 0.011 0.000 0.264 711 K C -0.572 176.017 176.600 -0.018 0.000 0.967 711 K CA -0.723 55.553 56.287 -0.018 0.000 0.844 711 K CB 1.428 33.918 32.500 -0.016 0.000 1.099 711 K HN 0.712 nan 8.250 nan 0.000 0.441 712 D N 2.379 122.770 120.400 -0.015 0.000 2.458 712 D HA -0.034 4.612 4.640 0.011 0.000 0.243 712 D C 0.400 176.693 176.300 -0.012 0.000 1.146 712 D CA 0.454 54.446 54.000 -0.013 0.000 0.877 712 D CB 0.923 41.717 40.800 -0.010 0.000 1.176 712 D HN 0.387 nan 8.370 nan 0.000 0.461 713 K N 2.676 123.069 120.400 -0.012 0.000 2.442 713 K HA -0.078 4.249 4.320 0.011 0.000 0.198 713 K C 1.394 177.989 176.600 -0.008 0.000 1.042 713 K CA 0.612 56.892 56.287 -0.010 0.000 0.958 713 K CB 0.424 32.918 32.500 -0.010 0.000 0.766 713 K HN 0.337 nan 8.250 nan 0.000 0.474 714 K N 0.002 120.398 120.400 -0.007 0.000 2.107 714 K HA -0.020 4.306 4.320 0.011 0.000 0.211 714 K C 2.369 178.965 176.600 -0.006 0.000 1.024 714 K CA 1.677 57.961 56.287 -0.006 0.000 0.953 714 K CB -0.821 31.676 32.500 -0.005 0.000 0.831 714 K HN 0.161 nan 8.250 nan 0.000 0.454 715 T N -1.644 112.907 114.554 -0.006 0.000 2.995 715 T HA 0.045 4.402 4.350 0.011 0.000 0.269 715 T C 1.474 176.170 174.700 -0.006 0.000 1.091 715 T CA 1.235 63.332 62.100 -0.005 0.000 1.128 715 T CB -0.254 68.612 68.868 -0.005 0.000 0.891 715 T HN 0.489 nan 8.240 nan 0.000 0.492 716 G N 1.901 110.697 108.800 -0.007 0.000 2.148 716 G HA2 -0.281 3.686 3.960 0.011 0.000 0.254 716 G HA3 -0.281 3.686 3.960 0.011 0.000 0.254 716 G C -0.157 174.738 174.900 -0.008 0.000 0.981 716 G CA 0.326 45.421 45.100 -0.008 0.000 0.670 716 G HN 1.090 nan 8.290 nan 0.000 0.528 717 E N -0.088 120.107 120.200 -0.008 0.000 2.319 717 E HA 0.602 4.958 4.350 0.011 0.000 0.268 717 E C -0.075 176.520 176.600 -0.009 0.000 1.050 717 E CA -1.188 55.208 56.400 -0.008 0.000 0.878 717 E CB 0.926 30.622 29.700 -0.006 0.000 1.066 717 E HN 0.112 nan 8.360 nan 0.000 0.406 718 I N 3.889 124.453 120.570 -0.009 0.000 2.436 718 I HA -0.018 4.159 4.170 0.011 0.000 0.289 718 I C 0.755 176.866 176.117 -0.011 0.000 1.083 718 I CA 0.281 61.574 61.300 -0.011 0.000 1.372 718 I CB 0.658 38.652 38.000 -0.010 0.000 1.408 718 I HN 0.703 nan 8.210 nan 0.000 0.516 719 L N 5.295 126.509 121.223 -0.014 0.000 2.162 719 L HA 0.169 4.515 4.340 0.011 0.000 0.205 719 L C 1.198 178.060 176.870 -0.013 0.000 1.086 719 L CA 0.671 55.503 54.840 -0.013 0.000 0.778 719 L CB -0.151 41.898 42.059 -0.016 0.000 0.928 719 L HN 0.489 nan 8.230 nan 0.000 0.446 720 R N 0.436 120.925 120.500 -0.018 0.000 2.533 720 R HA 0.312 4.659 4.340 0.011 0.000 0.288 720 R C -0.969 175.321 176.300 -0.016 0.000 1.039 720 R CA -0.561 55.529 56.100 -0.016 0.000 0.909 720 R CB 1.790 32.075 30.300 -0.025 0.000 1.195 720 R HN -0.046 nan 8.270 nan 0.000 0.438 721 K N 2.380 122.776 120.400 -0.007 0.000 2.149 721 K HA 0.237 4.563 4.320 0.011 0.000 0.245 721 K C 0.083 176.682 176.600 -0.002 0.000 1.024 721 K CA -0.403 55.881 56.287 -0.005 0.000 0.899 721 K CB 0.657 33.157 32.500 -0.000 0.000 1.038 721 K HN 0.377 nan 8.250 nan 0.000 0.496 722 R N 0.336 120.836 120.500 0.001 0.000 2.623 722 R HA 0.044 4.391 4.340 0.011 0.000 0.271 722 R C -0.445 175.868 176.300 0.022 0.000 1.043 722 R CA -0.112 55.992 56.100 0.007 0.000 1.083 722 R CB 0.152 30.459 30.300 0.012 0.000 0.974 722 R HN 0.483 nan 8.270 nan 0.000 0.436 723 C N 1.590 120.909 119.300 0.032 0.000 2.614 723 C HA 0.689 5.155 4.460 0.011 0.000 0.320 723 C C 0.645 175.688 174.990 0.089 0.000 1.200 723 C CA -0.660 58.394 59.018 0.059 0.000 1.700 723 C CB 1.607 29.387 27.740 0.067 0.000 2.275 723 C HN 0.902 nan 8.230 nan 0.000 0.492 724 A N 1.385 124.278 122.820 0.123 0.000 2.246 724 A HA 0.783 5.109 4.320 0.011 0.000 0.291 724 A C -0.652 177.081 177.584 0.249 0.000 1.103 724 A CA -0.235 51.909 52.037 0.177 0.000 0.844 724 A CB 0.281 19.388 19.000 0.178 0.000 1.136 724 A HN 0.788 nan 8.150 nan 0.000 0.500 725 V N 1.723 121.841 119.914 0.341 0.000 2.495 725 V HA 0.463 4.589 4.120 0.011 0.000 0.298 725 V C -0.120 176.325 176.094 0.584 0.000 1.031 725 V CA -0.504 62.072 62.300 0.460 0.000 0.871 725 V CB 1.268 33.402 31.823 0.518 0.000 0.988 725 V HN 1.011 nan 8.190 nan 0.000 0.432 726 H N 3.957 123.311 119.070 0.474 0.000 2.821 726 H HA 0.710 5.272 4.556 0.011 0.000 0.373 726 H C -1.764 173.866 175.328 0.504 0.000 1.165 726 H CA -0.687 55.463 56.048 0.171 0.000 1.154 726 H CB 2.669 32.389 29.762 -0.071 0.000 1.765 726 H HN 0.856 nan 8.280 nan 0.000 0.549 727 W N 2.360 123.129 121.300 -0.885 0.000 3.057 727 W HA 0.523 5.190 4.660 0.011 0.000 0.328 727 W C -2.474 173.688 176.519 -0.594 0.000 1.232 727 W CA -0.856 56.194 57.345 -0.492 0.000 1.187 727 W CB 0.157 29.733 29.460 0.195 0.000 1.417 727 W HN 0.323 nan 8.180 nan 0.000 0.569 728 V N 2.392 122.275 119.914 -0.052 0.000 2.604 728 V HA 0.635 4.762 4.120 0.011 0.000 0.305 728 V C 0.471 176.629 176.094 0.108 0.000 1.043 728 V CA -0.444 61.794 62.300 -0.104 0.000 0.888 728 V CB 1.458 33.252 31.823 -0.048 0.000 0.995 728 V HN 0.721 nan 8.190 nan 0.000 0.429 729 T N 1.844 116.438 114.554 0.067 0.000 2.868 729 T HA 0.266 4.623 4.350 0.011 0.000 0.292 729 T C -1.789 172.941 174.700 0.050 0.000 1.028 729 T CA -1.573 60.576 62.100 0.083 0.000 1.059 729 T CB 1.167 70.080 68.868 0.075 0.000 0.991 729 T HN 0.461 nan 8.240 nan 0.000 0.531 730 P HA -0.104 nan 4.420 nan 0.000 0.220 730 P C 0.931 178.226 177.300 -0.007 0.000 1.144 730 P CA 1.086 64.179 63.100 -0.012 0.000 0.800 730 P CB -0.027 31.622 31.700 -0.084 0.000 0.772 731 D N -1.999 118.399 120.400 -0.003 0.000 2.358 731 D HA 0.105 4.752 4.640 0.011 0.000 0.224 731 D C 1.210 177.529 176.300 0.031 0.000 1.123 731 D CA 0.229 54.230 54.000 0.001 0.000 0.833 731 D CB -0.730 40.056 40.800 -0.025 0.000 0.946 731 D HN 0.188 nan 8.370 nan 0.000 0.505 732 G N 0.415 109.246 108.800 0.051 0.000 2.157 732 G HA2 -0.278 3.688 3.960 0.011 0.000 0.248 732 G HA3 -0.278 3.688 3.960 0.011 0.000 0.248 732 G C -0.207 174.744 174.900 0.086 0.000 0.979 732 G CA -0.017 45.120 45.100 0.061 0.000 0.650 732 G HN 0.402 nan 8.290 nan 0.000 0.529 733 F N 3.938 123.853 119.950 -0.059 0.000 2.444 733 F HA 0.573 5.106 4.527 0.011 0.000 0.360 733 F C -1.649 174.083 175.800 -0.114 0.000 1.106 733 F CA -2.500 55.463 58.000 -0.062 0.000 1.170 733 F CB 1.313 40.245 39.000 -0.114 0.000 1.113 733 F HN 0.009 nan 8.300 nan 0.000 0.521 734 P HA 0.289 nan 4.420 nan 0.000 0.288 734 P C -1.475 175.149 177.300 -1.127 0.000 1.267 734 P CA -0.292 62.294 63.100 -0.857 0.000 0.815 734 P CB 2.342 33.593 31.700 -0.750 0.000 0.989 735 V N 3.392 122.584 119.914 -1.203 0.000 2.709 735 V HA 0.400 4.527 4.120 0.011 0.000 0.308 735 V C -0.645 174.912 176.094 -0.895 0.000 1.062 735 V CA -0.373 61.377 62.300 -0.918 0.000 0.901 735 V CB 2.521 33.628 31.823 -1.193 0.000 1.003 735 V HN 0.614 nan 8.190 nan 0.000 0.425 736 W N 3.784 125.023 121.300 -0.103 0.000 2.424 736 W HA 0.468 5.134 4.660 0.011 0.000 0.318 736 W C -0.195 176.333 176.519 0.014 0.000 1.016 736 W CA -0.581 56.763 57.345 -0.001 0.000 1.268 736 W CB 1.869 31.301 29.460 -0.048 0.000 1.297 736 W HN 0.580 nan 8.180 nan 0.000 0.428 737 Q N 3.406 123.396 119.800 0.317 0.000 2.360 737 Q HA 0.240 4.586 4.340 0.011 0.000 0.254 737 Q C -0.359 175.709 176.000 0.114 0.000 0.975 737 Q CA 0.121 56.055 55.803 0.218 0.000 0.912 737 Q CB 0.841 29.948 28.738 0.615 0.000 1.212 737 Q HN 0.609 nan 8.270 nan 0.000 0.452 738 E N 3.576 123.687 120.200 -0.148 0.000 2.923 738 E HA 0.187 4.544 4.350 0.011 0.000 0.266 738 E C -1.463 175.057 176.600 -0.132 0.000 1.157 738 E CA -0.606 55.767 56.400 -0.044 0.000 0.795 738 E CB 0.228 29.913 29.700 -0.024 0.000 1.454 738 E HN 0.414 nan 8.360 nan 0.000 0.386 739 Y N 1.679 121.971 120.300 -0.012 0.000 2.397 739 Y HA 0.291 4.847 4.550 0.011 0.000 0.335 739 Y C 0.598 176.491 175.900 -0.011 0.000 1.213 739 Y CA 0.070 58.157 58.100 -0.022 0.000 1.391 739 Y CB 0.991 39.465 38.460 0.025 0.000 1.293 739 Y HN 0.252 nan 8.280 nan 0.000 0.557 740 K N 2.215 122.695 120.400 0.133 0.000 2.375 740 K HA 0.353 4.679 4.320 0.011 0.000 0.249 740 K C -0.727 175.908 176.600 0.058 0.000 0.942 740 K CA -1.283 55.045 56.287 0.069 0.000 0.806 740 K CB 1.697 34.209 32.500 0.019 0.000 1.227 740 K HN 0.335 nan 8.250 nan 0.000 0.430 741 K N 1.903 122.324 120.400 0.035 0.000 2.202 741 K HA 0.251 4.577 4.320 0.011 0.000 0.264 741 K C -2.401 174.200 176.600 0.001 0.000 1.010 741 K CA -1.776 54.520 56.287 0.015 0.000 0.940 741 K CB 0.461 32.964 32.500 0.005 0.000 0.983 741 K HN 0.358 nan 8.250 nan 0.000 0.475 742 P HA -0.076 nan 4.420 nan 0.000 0.261 742 P C 0.584 177.872 177.300 -0.021 0.000 1.173 742 P CA 0.052 63.140 63.100 -0.020 0.000 0.760 742 P CB 0.277 31.957 31.700 -0.034 0.000 0.783 743 I N 1.461 122.020 120.570 -0.018 0.000 2.110 743 I HA -0.161 4.016 4.170 0.011 0.000 0.236 743 I C 1.138 177.241 176.117 -0.023 0.000 1.068 743 I CA 1.328 62.619 61.300 -0.016 0.000 1.333 743 I CB -1.442 36.552 38.000 -0.009 0.000 1.054 743 I HN 0.354 nan 8.210 nan 0.000 0.402 744 Q N 0.505 120.287 119.800 -0.030 0.000 2.185 744 Q HA 0.416 4.763 4.340 0.011 0.000 0.225 744 Q C -0.403 175.556 176.000 -0.068 0.000 0.983 744 Q CA -0.638 55.139 55.803 -0.043 0.000 0.950 744 Q CB 0.831 29.544 28.738 -0.042 0.000 1.176 744 Q HN 0.247 nan 8.270 nan 0.000 0.510 745 T N 2.065 116.565 114.554 -0.089 0.000 2.832 745 T HA 0.250 4.606 4.350 0.011 0.000 0.296 745 T C -0.282 174.303 174.700 -0.191 0.000 0.968 745 T CA -0.528 61.499 62.100 -0.121 0.000 1.107 745 T CB 0.349 69.147 68.868 -0.116 0.000 0.916 745 T HN 0.196 nan 8.240 nan 0.000 0.517 746 R N 3.090 123.479 120.500 -0.185 0.000 2.215 746 R HA 0.383 4.729 4.340 0.011 0.000 0.336 746 R C -1.144 174.981 176.300 -0.292 0.000 0.996 746 R CA -0.774 55.185 56.100 -0.234 0.000 0.847 746 R CB 0.623 30.834 30.300 -0.148 0.000 1.127 746 R HN 0.352 nan 8.270 nan 0.000 0.465 747 L N 2.889 123.804 121.223 -0.513 0.000 2.296 747 L HA 0.356 4.702 4.340 0.011 0.000 0.286 747 L C 0.085 176.763 176.870 -0.319 0.000 1.023 747 L CA -0.370 54.170 54.840 -0.499 0.000 0.812 747 L CB 1.240 42.778 42.059 -0.868 0.000 1.223 747 L HN 0.439 nan 8.230 nan 0.000 0.421 748 N N 2.368 121.002 118.700 -0.110 0.000 2.392 748 N HA 0.612 5.358 4.740 0.011 0.000 0.283 748 N C -1.154 174.379 175.510 0.040 0.000 1.003 748 N CA -0.436 52.609 53.050 -0.009 0.000 0.892 748 N CB 1.083 39.563 38.487 -0.011 0.000 1.193 748 N HN 0.459 nan 8.380 nan 0.000 0.487 749 L N 3.423 124.703 121.223 0.094 0.000 2.379 749 L HA 0.273 4.619 4.340 0.011 0.000 0.269 749 L C 1.534 178.374 176.870 -0.050 0.000 1.084 749 L CA -0.913 53.958 54.840 0.051 0.000 0.802 749 L CB 0.888 43.020 42.059 0.121 0.000 1.175 749 L HN 0.535 nan 8.230 nan 0.000 0.448 750 M N 0.994 120.461 119.600 -0.221 0.000 2.115 750 M HA -0.198 4.288 4.480 0.011 0.000 0.258 750 M C 1.688 177.739 176.300 -0.414 0.000 1.071 750 M CA 2.320 57.330 55.300 -0.483 0.000 1.100 750 M CB -0.815 31.186 32.600 -0.998 0.000 1.292 750 M HN 0.520 nan 8.290 nan 0.000 0.415 751 F N -1.136 118.873 119.950 0.099 0.000 2.602 751 F HA 0.232 4.766 4.527 0.011 0.000 0.284 751 F C 1.704 177.634 175.800 0.216 0.000 1.111 751 F CA -0.006 58.075 58.000 0.136 0.000 1.405 751 F CB -0.730 38.342 39.000 0.121 0.000 1.121 751 F HN -0.068 nan 8.300 nan 0.000 0.603 752 L N 0.771 122.191 121.223 0.327 0.000 2.779 752 L HA 0.353 4.700 4.340 0.011 0.000 0.239 752 L C 1.203 178.234 176.870 0.269 0.000 1.245 752 L CA 0.012 55.037 54.840 0.309 0.000 1.064 752 L CB -1.451 40.745 42.059 0.227 0.000 1.350 752 L HN 0.332 nan 8.230 nan 0.000 0.455 753 G N 1.637 110.559 108.800 0.203 0.000 2.622 753 G HA2 -0.326 3.641 3.960 0.011 0.000 0.272 753 G HA3 -0.326 3.641 3.960 0.011 0.000 0.272 753 G C -0.111 174.871 174.900 0.136 0.000 1.308 753 G CA 0.333 45.519 45.100 0.143 0.000 0.919 753 G HN 0.593 nan 8.290 nan 0.000 0.565 754 Q N -0.841 119.019 119.800 0.099 0.000 2.195 754 Q HA 0.851 5.197 4.340 0.011 0.000 0.250 754 Q C -0.294 175.763 176.000 0.095 0.000 0.988 754 Q CA -0.636 55.217 55.803 0.082 0.000 0.911 754 Q CB 1.700 30.431 28.738 -0.012 0.000 1.258 754 Q HN 1.801 nan 8.270 nan 0.000 0.475 755 F N -2.903 116.868 119.950 -0.299 0.000 2.665 755 F HA 0.646 5.180 4.527 0.011 0.000 0.308 755 F C -0.932 174.748 175.800 -0.200 0.000 1.112 755 F CA -1.310 56.490 58.000 -0.334 0.000 0.972 755 F CB 1.170 39.705 39.000 -0.774 0.000 1.295 755 F HN 0.572 nan 8.300 nan 0.000 0.440 756 R N 1.478 121.875 120.500 -0.172 0.000 2.571 756 R HA 0.875 5.222 4.340 0.011 0.000 0.259 756 R C -1.366 174.824 176.300 -0.182 0.000 1.226 756 R CA -0.975 55.003 56.100 -0.203 0.000 1.157 756 R CB 0.609 30.866 30.300 -0.072 0.000 1.220 756 R HN 0.844 nan 8.270 nan 0.000 0.605 757 L N 0.177 121.328 121.223 -0.120 0.000 2.781 757 L HA 0.081 4.427 4.340 0.011 0.000 0.256 757 L C -1.237 175.613 176.870 -0.032 0.000 0.930 757 L CA -0.854 53.955 54.840 -0.051 0.000 0.967 757 L CB 2.057 44.059 42.059 -0.095 0.000 1.551 757 L HN 0.512 nan 8.230 nan 0.000 0.445 758 Q N 2.749 122.552 119.800 0.005 0.000 2.394 758 Q HA 0.111 4.458 4.340 0.011 0.000 0.303 758 Q C -2.254 173.742 176.000 -0.006 0.000 1.117 758 Q CA -0.923 54.883 55.803 0.005 0.000 0.966 758 Q CB -0.131 28.620 28.738 0.022 0.000 1.275 758 Q HN 0.283 nan 8.270 nan 0.000 0.429 759 P HA -0.009 nan 4.420 nan 0.000 0.271 759 P C 0.658 177.957 177.300 -0.002 0.000 1.226 759 P CA 0.215 63.309 63.100 -0.010 0.000 0.765 759 P CB 0.489 32.184 31.700 -0.008 0.000 0.835 760 T N 1.078 115.629 114.554 -0.004 0.000 2.788 760 T HA -0.050 4.307 4.350 0.011 0.000 0.268 760 T C 0.979 175.682 174.700 0.005 0.000 1.044 760 T CA 1.017 63.120 62.100 0.004 0.000 1.139 760 T CB -0.297 68.572 68.868 0.002 0.000 0.867 760 T HN 0.155 nan 8.240 nan 0.000 0.454 761 I N 2.999 123.569 120.570 0.000 0.000 2.304 761 I HA 0.332 4.509 4.170 0.011 0.000 0.291 761 I C 0.628 176.746 176.117 0.002 0.000 1.018 761 I CA -0.775 60.525 61.300 0.001 0.000 1.260 761 I CB 0.899 38.898 38.000 -0.003 0.000 1.390 761 I HN 0.086 nan 8.210 nan 0.000 0.475 762 N N 3.376 122.078 118.700 0.004 0.000 2.069 762 N HA -0.131 4.616 4.740 0.011 0.000 0.191 762 N C 0.873 176.384 175.510 0.002 0.000 1.031 762 N CA 1.359 54.412 53.050 0.005 0.000 0.852 762 N CB -0.126 38.365 38.487 0.007 0.000 1.018 762 N HN 0.542 nan 8.380 nan 0.000 0.423 763 T N 0.301 114.856 114.554 0.001 0.000 4.096 763 T HA 0.025 4.381 4.350 0.011 0.000 0.241 763 T C 0.242 174.940 174.700 -0.003 0.000 0.869 763 T CA 0.295 62.395 62.100 -0.001 0.000 0.909 763 T CB -0.995 67.872 68.868 -0.001 0.000 1.260 763 T HN 0.219 nan 8.240 nan 0.000 0.692 764 N N 1.012 119.710 118.700 -0.003 0.000 2.646 764 N HA 0.172 4.919 4.740 0.011 0.000 0.296 764 N C 0.557 176.064 175.510 -0.005 0.000 1.886 764 N CA -0.327 52.720 53.050 -0.005 0.000 0.855 764 N CB 0.291 38.773 38.487 -0.007 0.000 1.336 764 N HN -0.044 nan 8.380 nan 0.000 0.496 765 K N 0.431 120.829 120.400 -0.004 0.000 3.502 765 K HA 0.215 4.542 4.320 0.011 0.000 0.163 765 K C 0.576 177.173 176.600 -0.005 0.000 1.142 765 K CA 1.029 57.314 56.287 -0.004 0.000 1.539 765 K CB -0.344 32.155 32.500 -0.003 0.000 2.125 765 K HN 0.278 nan 8.250 nan 0.000 0.491 766 D N -1.352 119.045 120.400 -0.006 0.000 4.450 766 D HA -0.335 4.312 4.640 0.011 0.000 0.209 766 D C 0.684 176.978 176.300 -0.009 0.000 0.603 766 D CA 3.833 57.829 54.000 -0.008 0.000 1.127 766 D CB -1.415 39.381 40.800 -0.006 0.000 0.621 766 D HN 0.452 nan 8.370 nan 0.000 0.431 767 S N -1.157 114.539 115.700 -0.008 0.000 6.297 767 S HA 0.014 4.491 4.470 0.011 0.000 0.089 767 S C -1.335 173.263 174.600 -0.003 0.000 1.226 767 S CA 1.331 59.526 58.200 -0.008 0.000 1.326 767 S CB -0.691 62.502 63.200 -0.013 0.000 1.661 767 S HN 0.955 nan 8.310 nan 0.000 0.504 768 E N 1.283 121.483 120.200 -0.000 0.000 7.486 768 E HA -0.123 4.234 4.350 0.011 0.000 0.266 768 E C -1.029 175.581 176.600 0.018 0.000 0.825 768 E CA 0.441 56.844 56.400 0.006 0.000 1.529 768 E CB -0.587 29.114 29.700 0.002 0.000 0.910 768 E HN 0.473 nan 8.360 nan 0.000 0.263 769 I N 3.178 123.763 120.570 0.026 0.000 2.882 769 I HA 0.107 4.283 4.170 0.011 0.000 0.286 769 I C 0.820 176.971 176.117 0.056 0.000 1.139 769 I CA 0.333 61.662 61.300 0.049 0.000 1.379 769 I CB 0.765 38.798 38.000 0.054 0.000 1.410 769 I HN 0.518 nan 8.210 nan 0.000 0.594 770 D N 3.875 124.328 120.400 0.090 0.000 2.485 770 D HA 0.386 5.033 4.640 0.011 0.000 0.229 770 D C 0.755 177.106 176.300 0.086 0.000 1.101 770 D CA -0.402 53.647 54.000 0.081 0.000 0.906 770 D CB 1.303 42.158 40.800 0.091 0.000 1.019 770 D HN 0.581 nan 8.370 nan 0.000 0.516 771 A N 3.804 126.662 122.820 0.064 0.000 1.978 771 A HA -0.236 4.090 4.320 0.011 0.000 0.220 771 A C 1.956 179.559 177.584 0.032 0.000 1.170 771 A CA 1.225 53.289 52.037 0.045 0.000 0.636 771 A CB -0.608 18.407 19.000 0.024 0.000 0.810 771 A HN 0.761 nan 8.150 nan 0.000 0.448 772 H N -0.532 118.514 119.070 -0.039 0.000 2.395 772 H HA 0.006 4.568 4.556 0.011 0.000 0.299 772 H C 1.866 177.135 175.328 -0.099 0.000 1.070 772 H CA 1.815 57.825 56.048 -0.064 0.000 1.356 772 H CB 0.069 29.790 29.762 -0.068 0.000 1.401 772 H HN 0.371 nan 8.280 nan 0.000 0.524 773 K N 0.314 120.717 120.400 0.005 0.000 2.217 773 K HA -0.052 4.274 4.320 0.011 0.000 0.202 773 K C 2.388 178.817 176.600 -0.285 0.000 1.051 773 K CA 0.612 56.753 56.287 -0.245 0.000 0.952 773 K CB 0.189 32.496 32.500 -0.322 0.000 0.736 773 K HN 0.244 nan 8.250 nan 0.000 0.453 774 Q N 0.216 120.007 119.800 -0.015 0.000 2.119 774 Q HA -0.154 4.193 4.340 0.011 0.000 0.201 774 Q C 1.776 177.810 176.000 0.056 0.000 0.972 774 Q CA 1.403 57.291 55.803 0.143 0.000 0.847 774 Q CB 0.043 28.867 28.738 0.142 0.000 0.903 774 Q HN 0.459 nan 8.270 nan 0.000 0.433 775 E N 0.351 120.512 120.200 -0.065 0.000 2.072 775 E HA -0.092 4.264 4.350 0.011 0.000 0.190 775 E C 1.833 178.366 176.600 -0.111 0.000 0.982 775 E CA 1.159 57.495 56.400 -0.107 0.000 0.803 775 E CB 0.175 29.764 29.700 -0.186 0.000 0.755 775 E HN 0.305 nan 8.360 nan 0.000 0.453 776 S N -1.041 114.555 115.700 -0.174 0.000 2.603 776 S HA 0.068 4.545 4.470 0.011 0.000 0.220 776 S C 1.625 176.216 174.600 -0.015 0.000 0.967 776 S CA 0.439 58.570 58.200 -0.115 0.000 0.920 776 S CB 0.782 63.892 63.200 -0.151 0.000 0.773 776 S HN 0.238 nan 8.310 nan 0.000 0.529 777 G N 1.293 110.114 108.800 0.034 0.000 2.727 777 G HA2 0.143 4.110 3.960 0.011 0.000 0.203 777 G HA3 0.143 4.110 3.960 0.011 0.000 0.203 777 G C 1.054 176.130 174.900 0.293 0.000 1.117 777 G CA 0.240 45.467 45.100 0.211 0.000 0.817 777 G HN 0.407 nan 8.290 nan 0.000 0.553 778 I N 2.235 122.965 120.570 0.267 0.000 2.113 778 I HA -0.255 3.922 4.170 0.011 0.000 0.242 778 I C 2.905 179.100 176.117 0.130 0.000 1.057 778 I CA 1.988 63.423 61.300 0.225 0.000 1.314 778 I CB -0.220 37.847 38.000 0.112 0.000 1.022 778 I HN 0.191 nan 8.210 nan 0.000 0.408 779 A N 0.980 123.863 122.820 0.104 0.000 1.845 779 A HA -0.076 4.250 4.320 0.011 0.000 0.215 779 A C 0.132 177.838 177.584 0.203 0.000 1.195 779 A CA 2.059 54.190 52.037 0.156 0.000 0.616 779 A CB -2.277 16.800 19.000 0.130 0.000 0.832 779 A HN 0.458 nan 8.150 nan 0.000 0.443 780 P HA -0.151 nan 4.420 nan 0.000 0.217 780 P C 0.721 177.930 177.300 -0.151 0.000 1.150 780 P CA 1.546 64.632 63.100 -0.023 0.000 0.832 780 P CB -0.427 31.295 31.700 0.036 0.000 0.787 781 N N -1.154 117.587 118.700 0.069 0.000 2.166 781 N HA -0.146 4.600 4.740 0.011 0.000 0.186 781 N C 1.678 177.343 175.510 0.258 0.000 1.019 781 N CA 0.467 53.597 53.050 0.134 0.000 0.856 781 N CB -0.544 38.140 38.487 0.330 0.000 0.993 781 N HN 0.032 nan 8.380 nan 0.000 0.426 782 F N 1.842 121.813 119.950 0.034 0.000 2.113 782 F HA -0.140 4.394 4.527 0.011 0.000 0.297 782 F C 2.030 177.781 175.800 -0.080 0.000 1.103 782 F CA 0.933 58.831 58.000 -0.171 0.000 1.248 782 F CB -0.306 38.330 39.000 -0.606 0.000 0.999 782 F HN -0.211 nan 8.300 nan 0.000 0.475 783 V N -0.494 119.408 119.914 -0.020 0.000 2.343 783 V HA -0.303 3.824 4.120 0.011 0.000 0.247 783 V C 2.393 178.383 176.094 -0.174 0.000 1.051 783 V CA 2.165 64.326 62.300 -0.231 0.000 1.036 783 V CB -1.302 30.339 31.823 -0.305 0.000 0.654 783 V HN 0.331 nan 8.190 nan 0.000 0.451 784 H N 1.504 120.493 119.070 -0.134 0.000 2.353 784 H HA -0.088 4.475 4.556 0.011 0.000 0.300 784 H C 2.707 177.911 175.328 -0.208 0.000 1.090 784 H CA 1.813 57.767 56.048 -0.156 0.000 1.327 784 H CB -0.657 29.032 29.762 -0.122 0.000 1.383 784 H HN 0.658 nan 8.280 nan 0.000 0.508 785 S N 0.358 116.039 115.700 -0.032 0.000 2.442 785 S HA -0.137 4.339 4.470 0.011 0.000 0.236 785 S C 1.833 176.329 174.600 -0.173 0.000 1.007 785 S CA 0.806 58.964 58.200 -0.070 0.000 0.965 785 S CB 0.083 63.355 63.200 0.121 0.000 0.773 785 S HN 0.283 nan 8.310 nan 0.000 0.504 786 Q N 1.820 121.437 119.800 -0.305 0.000 2.062 786 Q HA -0.040 4.307 4.340 0.011 0.000 0.196 786 Q C 1.992 177.772 176.000 -0.368 0.000 0.967 786 Q CA 1.803 57.388 55.803 -0.364 0.000 0.832 786 Q CB -0.866 27.600 28.738 -0.453 0.000 0.899 786 Q HN 0.898 nan 8.270 nan 0.000 0.442 787 D N -0.030 120.106 120.400 -0.440 0.000 2.116 787 D HA -0.168 4.479 4.640 0.011 0.000 0.193 787 D C 1.884 178.132 176.300 -0.085 0.000 0.998 787 D CA 1.959 55.807 54.000 -0.253 0.000 0.836 787 D CB -0.798 39.919 40.800 -0.139 0.000 0.951 787 D HN 0.196 nan 8.370 nan 0.000 0.449 788 G N -0.216 108.484 108.800 -0.167 0.000 2.514 788 G HA2 -0.366 3.601 3.960 0.011 0.000 0.217 788 G HA3 -0.366 3.601 3.960 0.011 0.000 0.217 788 G C 1.806 176.601 174.900 -0.175 0.000 1.198 788 G CA 1.516 46.491 45.100 -0.208 0.000 0.780 788 G HN 0.437 nan 8.290 nan 0.000 0.565 789 S N -0.031 115.574 115.700 -0.157 0.000 2.387 789 S HA -0.286 4.190 4.470 0.011 0.000 0.230 789 S C 2.205 176.782 174.600 -0.039 0.000 1.035 789 S CA 2.092 60.224 58.200 -0.113 0.000 1.014 789 S CB -0.493 62.651 63.200 -0.093 0.000 0.836 789 S HN 0.661 nan 8.310 nan 0.000 0.466 790 H N 0.900 119.912 119.070 -0.098 0.000 2.353 790 H HA 0.032 4.595 4.556 0.011 0.000 0.300 790 H C 2.036 177.402 175.328 0.063 0.000 1.090 790 H CA 1.997 58.035 56.048 -0.018 0.000 1.327 790 H CB -0.773 29.059 29.762 0.117 0.000 1.383 790 H HN 0.431 nan 8.280 nan 0.000 0.508 791 L N 0.133 121.341 121.223 -0.024 0.000 1.994 791 L HA -0.164 4.183 4.340 0.011 0.000 0.208 791 L C 2.634 179.446 176.870 -0.097 0.000 1.071 791 L CA 1.639 56.488 54.840 0.015 0.000 0.745 791 L CB -0.323 41.651 42.059 -0.142 0.000 0.892 791 L HN 0.200 nan 8.230 nan 0.000 0.431 792 R N -0.241 120.163 120.500 -0.158 0.000 2.096 792 R HA -0.215 4.132 4.340 0.011 0.000 0.240 792 R C 2.377 178.605 176.300 -0.120 0.000 1.139 792 R CA 2.024 58.015 56.100 -0.182 0.000 0.952 792 R CB -0.422 29.757 30.300 -0.202 0.000 0.854 792 R HN 0.402 nan 8.270 nan 0.000 0.436 793 K N -0.225 120.128 120.400 -0.078 0.000 2.032 793 K HA -0.113 4.214 4.320 0.011 0.000 0.209 793 K C 2.192 178.799 176.600 0.011 0.000 1.048 793 K CA 1.951 58.223 56.287 -0.026 0.000 0.927 793 K CB -0.195 32.282 32.500 -0.037 0.000 0.712 793 K HN 0.191 nan 8.250 nan 0.000 0.441 794 T N 1.180 115.690 114.554 -0.072 0.000 2.665 794 T HA -0.147 4.209 4.350 0.011 0.000 0.268 794 T C 2.019 176.744 174.700 0.042 0.000 1.035 794 T CA 1.491 63.558 62.100 -0.054 0.000 1.151 794 T CB -0.313 68.377 68.868 -0.296 0.000 0.862 794 T HN -0.044 nan 8.240 nan 0.000 0.438 795 V N 1.141 120.981 119.914 -0.123 0.000 2.255 795 V HA -0.162 3.965 4.120 0.011 0.000 0.247 795 V C 2.692 178.684 176.094 -0.170 0.000 1.051 795 V CA 1.471 63.520 62.300 -0.417 0.000 1.018 795 V CB -0.748 30.685 31.823 -0.651 0.000 0.641 795 V HN 0.323 nan 8.190 nan 0.000 0.445 796 V N -0.893 118.992 119.914 -0.047 0.000 2.407 796 V HA -0.279 3.847 4.120 0.011 0.000 0.248 796 V C 2.061 178.266 176.094 0.183 0.000 1.055 796 V CA 2.182 64.528 62.300 0.077 0.000 1.049 796 V CB -0.699 31.167 31.823 0.071 0.000 0.662 796 V HN 0.757 nan 8.190 nan 0.000 0.455 797 W N 0.974 122.284 121.300 0.016 0.000 2.353 797 W HA -0.253 4.413 4.660 0.011 0.000 0.319 797 W C 2.537 179.123 176.519 0.112 0.000 1.207 797 W CA 2.080 59.444 57.345 0.033 0.000 1.291 797 W CB -0.296 29.178 29.460 0.023 0.000 1.159 797 W HN 0.295 nan 8.180 nan 0.000 0.478 798 A N -0.237 122.781 122.820 0.330 0.000 1.908 798 A HA -0.335 3.991 4.320 0.011 0.000 0.218 798 A C 1.725 179.510 177.584 0.336 0.000 1.181 798 A CA 2.338 54.623 52.037 0.413 0.000 0.627 798 A CB -1.558 17.781 19.000 0.566 0.000 0.818 798 A HN 0.594 nan 8.150 nan 0.000 0.445 799 H N -0.414 118.816 119.070 0.265 0.000 2.423 799 H HA 0.004 4.567 4.556 0.011 0.000 0.297 799 H C 1.882 177.224 175.328 0.023 0.000 1.075 799 H CA 1.974 58.143 56.048 0.202 0.000 1.342 799 H CB 0.022 29.915 29.762 0.217 0.000 1.395 799 H HN 0.645 nan 8.280 nan 0.000 0.530 800 E N -0.657 119.448 120.200 -0.158 0.000 2.127 800 E HA -0.036 4.320 4.350 0.011 0.000 0.191 800 E C 1.786 178.127 176.600 -0.432 0.000 0.964 800 E CA 0.358 56.576 56.400 -0.303 0.000 0.832 800 E CB 0.368 29.942 29.700 -0.210 0.000 0.790 800 E HN 0.233 nan 8.360 nan 0.000 0.465 801 K N 0.045 120.039 120.400 -0.676 0.000 2.243 801 K HA -0.016 4.311 4.320 0.011 0.000 0.201 801 K C 1.143 177.211 176.600 -0.887 0.000 1.051 801 K CA 1.043 56.746 56.287 -0.973 0.000 0.970 801 K CB 0.089 31.569 32.500 -1.700 0.000 0.755 801 K HN 0.240 nan 8.250 nan 0.000 0.465 802 Y N -0.887 119.266 120.300 -0.245 0.000 2.423 802 Y HA 0.279 4.836 4.550 0.011 0.000 0.257 802 Y C 1.222 177.057 175.900 -0.108 0.000 1.087 802 Y CA 0.039 58.055 58.100 -0.139 0.000 1.258 802 Y CB 0.676 39.084 38.460 -0.086 0.000 1.237 802 Y HN 0.193 nan 8.280 nan 0.000 0.517 803 G N 0.901 109.690 108.800 -0.020 0.000 2.136 803 G HA2 -0.242 3.725 3.960 0.011 0.000 0.242 803 G HA3 -0.242 3.725 3.960 0.011 0.000 0.242 803 G C -0.088 174.845 174.900 0.055 0.000 0.989 803 G CA -0.068 45.003 45.100 -0.048 0.000 0.682 803 G HN 0.098 nan 8.290 nan 0.000 0.522 804 I N 0.873 121.516 120.570 0.121 0.000 2.634 804 I HA 0.233 4.409 4.170 0.011 0.000 0.284 804 I C 1.283 177.444 176.117 0.074 0.000 1.124 804 I CA 0.380 61.678 61.300 -0.003 0.000 1.417 804 I CB 0.832 38.751 38.000 -0.136 0.000 1.396 804 I HN 0.531 nan 8.210 nan 0.000 0.571 805 E N 2.099 122.227 120.200 -0.120 0.000 2.572 805 E HA 0.167 4.524 4.350 0.011 0.000 0.220 805 E C -0.113 176.374 176.600 -0.188 0.000 0.945 805 E CA -0.147 56.248 56.400 -0.008 0.000 1.070 805 E CB 0.520 30.271 29.700 0.085 0.000 1.090 805 E HN 0.410 nan 8.360 nan 0.000 0.506 806 S N 0.997 116.396 115.700 -0.501 0.000 2.456 806 S HA 0.557 5.034 4.470 0.011 0.000 0.316 806 S C -1.092 173.111 174.600 -0.662 0.000 1.089 806 S CA -0.612 57.322 58.200 -0.443 0.000 1.101 806 S CB 0.427 63.379 63.200 -0.413 0.000 0.995 806 S HN 0.102 nan 8.310 nan 0.000 0.468 807 F N 1.445 121.340 119.950 -0.091 0.000 2.539 807 F HA 0.639 5.172 4.527 0.011 0.000 0.318 807 F C 0.207 176.042 175.800 0.058 0.000 1.135 807 F CA -0.902 57.079 58.000 -0.030 0.000 0.915 807 F CB 1.507 40.498 39.000 -0.014 0.000 1.176 807 F HN 0.587 nan 8.300 nan 0.000 0.440 808 A N 4.973 127.934 122.820 0.235 0.000 2.260 808 A HA 0.862 5.189 4.320 0.011 0.000 0.314 808 A C -1.088 176.573 177.584 0.129 0.000 1.257 808 A CA -0.493 51.748 52.037 0.341 0.000 0.871 808 A CB 0.339 19.519 19.000 0.300 0.000 1.166 808 A HN 0.795 nan 8.150 nan 0.000 0.522 809 L N 3.126 124.353 121.223 0.005 0.000 2.381 809 L HA 0.525 4.872 4.340 0.011 0.000 0.274 809 L C -1.024 175.623 176.870 -0.372 0.000 0.988 809 L CA -0.335 54.367 54.840 -0.231 0.000 0.824 809 L CB 1.867 43.733 42.059 -0.321 0.000 1.263 809 L HN 0.610 nan 8.230 nan 0.000 0.410 810 I N 3.245 123.537 120.570 -0.463 0.000 2.953 810 I HA 0.339 4.516 4.170 0.011 0.000 0.325 810 I C 0.436 176.163 176.117 -0.651 0.000 1.421 810 I CA -0.074 60.868 61.300 -0.598 0.000 0.845 810 I CB -0.504 37.309 38.000 -0.312 0.000 2.186 810 I HN 0.579 nan 8.210 nan 0.000 0.604 811 H N 0.457 119.282 119.070 -0.408 0.000 4.884 811 H HA -0.242 4.320 4.556 0.011 0.000 0.061 811 H C 0.781 175.874 175.328 -0.393 0.000 0.590 811 H CA 2.008 57.817 56.048 -0.399 0.000 0.961 811 H CB -1.066 28.497 29.762 -0.332 0.000 0.443 811 H HN 0.662 nan 8.280 nan 0.000 0.794 812 D N 0.942 121.229 120.400 -0.189 0.000 2.599 812 D HA 0.356 5.002 4.640 0.011 0.000 0.249 812 D C -0.132 176.085 176.300 -0.138 0.000 1.313 812 D CA 0.388 54.322 54.000 -0.109 0.000 0.815 812 D CB 0.588 41.455 40.800 0.112 0.000 1.077 812 D HN 0.187 nan 8.370 nan 0.000 0.492 813 S N 0.189 115.648 115.700 -0.401 0.000 2.605 813 S HA 0.599 5.075 4.470 0.011 0.000 0.308 813 S C -1.581 172.785 174.600 -0.390 0.000 1.113 813 S CA -0.630 57.478 58.200 -0.153 0.000 1.049 813 S CB 0.285 63.465 63.200 -0.033 0.000 1.001 813 S HN 0.066 nan 8.310 nan 0.000 0.480 814 F N 2.482 122.498 119.950 0.111 0.000 2.482 814 F HA 0.782 5.316 4.527 0.011 0.000 0.331 814 F C 0.879 176.746 175.800 0.112 0.000 1.115 814 F CA -0.673 57.389 58.000 0.104 0.000 0.955 814 F CB 2.095 41.160 39.000 0.108 0.000 1.136 814 F HN 0.657 nan 8.300 nan 0.000 0.452 815 G N 0.700 109.627 108.800 0.212 0.000 2.660 815 G HA2 0.745 4.711 3.960 0.011 0.000 0.294 815 G HA3 0.745 4.711 3.960 0.011 0.000 0.294 815 G C -1.287 173.595 174.900 -0.030 0.000 1.369 815 G CA -0.697 44.426 45.100 0.038 0.000 0.912 815 G HN 0.643 nan 8.290 nan 0.000 0.479 816 T N -0.835 113.626 114.554 -0.155 0.000 2.618 816 T HA 0.581 4.937 4.350 0.011 0.000 0.293 816 T C 0.038 174.592 174.700 -0.243 0.000 1.093 816 T CA -0.624 61.337 62.100 -0.232 0.000 1.061 816 T CB 0.746 69.475 68.868 -0.231 0.000 1.498 816 T HN 0.994 nan 8.240 nan 0.000 0.494 817 I N -0.409 120.022 120.570 -0.231 0.000 2.532 817 I HA 0.428 4.604 4.170 0.011 0.000 0.292 817 I C -2.134 173.913 176.117 -0.116 0.000 1.014 817 I CA -2.371 58.821 61.300 -0.180 0.000 1.340 817 I CB 0.898 38.792 38.000 -0.177 0.000 1.422 817 I HN 0.258 nan 8.210 nan 0.000 0.528 818 P HA -0.287 nan 4.420 nan 0.000 0.217 818 P C 1.430 178.766 177.300 0.060 0.000 1.158 818 P CA 2.501 65.626 63.100 0.041 0.000 0.887 818 P CB 0.030 31.799 31.700 0.115 0.000 0.792 819 A N -1.182 121.652 122.820 0.023 0.000 2.178 819 A HA -0.179 4.147 4.320 0.011 0.000 0.218 819 A C 1.587 179.168 177.584 -0.006 0.000 1.157 819 A CA 1.896 53.947 52.037 0.023 0.000 0.689 819 A CB -0.936 18.060 19.000 -0.008 0.000 0.787 819 A HN 0.121 nan 8.150 nan 0.000 0.465 820 D N -1.545 118.825 120.400 -0.049 0.000 2.449 820 D HA 0.305 4.951 4.640 0.011 0.000 0.210 820 D C 1.908 178.152 176.300 -0.093 0.000 1.094 820 D CA 0.756 54.705 54.000 -0.084 0.000 0.846 820 D CB 0.054 40.771 40.800 -0.139 0.000 1.003 820 D HN 0.325 nan 8.370 nan 0.000 0.504 821 A N 1.068 123.835 122.820 -0.088 0.000 2.024 821 A HA -0.084 4.243 4.320 0.011 0.000 0.220 821 A C 2.233 179.685 177.584 -0.220 0.000 1.164 821 A CA 1.920 53.878 52.037 -0.131 0.000 0.643 821 A CB -0.397 18.422 19.000 -0.301 0.000 0.806 821 A HN 0.216 nan 8.150 nan 0.000 0.451 822 A N 0.099 122.823 122.820 -0.160 0.000 1.930 822 A HA -0.146 4.180 4.320 0.011 0.000 0.217 822 A C 1.847 179.349 177.584 -0.136 0.000 1.175 822 A CA 1.569 53.555 52.037 -0.084 0.000 0.627 822 A CB -0.453 18.620 19.000 0.122 0.000 0.815 822 A HN 0.535 nan 8.150 nan 0.000 0.443 823 N N -0.601 117.963 118.700 -0.227 0.000 2.457 823 N HA -0.034 4.712 4.740 0.011 0.000 0.180 823 N C 1.409 176.672 175.510 -0.412 0.000 1.050 823 N CA 0.833 53.574 53.050 -0.515 0.000 0.906 823 N CB -0.059 38.023 38.487 -0.675 0.000 0.968 823 N HN 0.440 nan 8.380 nan 0.000 0.445 824 L N -0.280 120.833 121.223 -0.184 0.000 2.202 824 L HA 0.167 4.514 4.340 0.011 0.000 0.205 824 L C 1.892 178.624 176.870 -0.229 0.000 1.083 824 L CA 0.923 55.713 54.840 -0.083 0.000 0.790 824 L CB -0.781 41.321 42.059 0.071 0.000 0.942 824 L HN -0.045 nan 8.230 nan 0.000 0.452 825 F N 0.594 120.205 119.950 -0.566 0.000 2.126 825 F HA -0.257 4.277 4.527 0.011 0.000 0.299 825 F C 2.454 177.979 175.800 -0.458 0.000 1.096 825 F CA 2.249 59.699 58.000 -0.917 0.000 1.255 825 F CB -0.125 38.267 39.000 -1.012 0.000 0.997 825 F HN 0.090 nan 8.300 nan 0.000 0.479 826 K N 0.186 120.540 120.400 -0.078 0.000 1.967 826 K HA -0.120 4.207 4.320 0.011 0.000 0.212 826 K C 2.367 178.956 176.600 -0.018 0.000 1.044 826 K CA 1.143 57.417 56.287 -0.022 0.000 0.942 826 K CB -0.680 31.809 32.500 -0.018 0.000 0.726 826 K HN 0.265 nan 8.250 nan 0.000 0.440 827 A N 1.052 123.922 122.820 0.084 0.000 1.915 827 A HA -0.226 4.100 4.320 0.011 0.000 0.220 827 A C 2.259 179.849 177.584 0.010 0.000 1.198 827 A CA 2.247 54.480 52.037 0.327 0.000 0.647 827 A CB -1.212 18.076 19.000 0.480 0.000 0.825 827 A HN 0.327 nan 8.150 nan 0.000 0.456 828 V N -0.441 119.346 119.914 -0.211 0.000 2.469 828 V HA -0.263 3.863 4.120 0.011 0.000 0.251 828 V C 2.526 178.486 176.094 -0.224 0.000 1.064 828 V CA 2.675 64.740 62.300 -0.391 0.000 1.066 828 V CB -0.600 30.819 31.823 -0.674 0.000 0.667 828 V HN 0.652 nan 8.190 nan 0.000 0.461 829 R N -0.466 119.885 120.500 -0.247 0.000 2.127 829 R HA 0.011 4.358 4.340 0.011 0.000 0.217 829 R C 2.203 178.406 176.300 -0.160 0.000 1.074 829 R CA 1.342 57.318 56.100 -0.208 0.000 0.991 829 R CB -0.173 29.980 30.300 -0.246 0.000 0.895 829 R HN 0.631 nan 8.270 nan 0.000 0.450 830 E N -0.097 120.016 120.200 -0.144 0.000 2.204 830 E HA -0.134 4.223 4.350 0.011 0.000 0.194 830 E C 1.710 178.079 176.600 -0.385 0.000 0.989 830 E CA 1.664 57.944 56.400 -0.200 0.000 0.824 830 E CB -0.008 29.633 29.700 -0.099 0.000 0.756 830 E HN 0.447 nan 8.360 nan 0.000 0.477 831 T N -0.544 113.782 114.554 -0.380 0.000 2.937 831 T HA -0.079 4.277 4.350 0.011 0.000 0.260 831 T C 1.956 176.516 174.700 -0.233 0.000 1.051 831 T CA 0.623 62.500 62.100 -0.372 0.000 1.141 831 T CB -0.131 68.592 68.868 -0.242 0.000 0.879 831 T HN -0.040 nan 8.240 nan 0.000 0.459 832 M N 1.725 121.212 119.600 -0.188 0.000 2.073 832 M HA -0.047 4.439 4.480 0.011 0.000 0.258 832 M C 2.162 178.360 176.300 -0.170 0.000 1.070 832 M CA 1.531 56.644 55.300 -0.313 0.000 1.103 832 M CB -0.798 31.617 32.600 -0.308 0.000 1.321 832 M HN 0.161 nan 8.290 nan 0.000 0.405 833 V N 0.227 120.054 119.914 -0.145 0.000 2.261 833 V HA -0.306 3.820 4.120 0.011 0.000 0.246 833 V C 2.262 178.283 176.094 -0.121 0.000 1.047 833 V CA 2.344 64.585 62.300 -0.098 0.000 1.015 833 V CB -0.986 30.775 31.823 -0.103 0.000 0.642 833 V HN 0.536 nan 8.190 nan 0.000 0.446 834 D N -0.329 119.947 120.400 -0.207 0.000 2.123 834 D HA -0.161 4.486 4.640 0.011 0.000 0.196 834 D C 2.201 178.390 176.300 -0.185 0.000 0.992 834 D CA 2.021 55.893 54.000 -0.213 0.000 0.833 834 D CB 0.061 40.653 40.800 -0.346 0.000 0.954 834 D HN 0.448 nan 8.370 nan 0.000 0.455 835 T N -0.080 114.322 114.554 -0.253 0.000 2.622 835 T HA -0.201 4.155 4.350 0.011 0.000 0.266 835 T C 1.783 176.321 174.700 -0.268 0.000 1.047 835 T CA 1.130 63.044 62.100 -0.310 0.000 1.159 835 T CB -0.559 68.015 68.868 -0.491 0.000 0.863 835 T HN 0.200 nan 8.240 nan 0.000 0.422 836 Y N 1.071 121.322 120.300 -0.082 0.000 2.509 836 Y HA 0.087 4.644 4.550 0.011 0.000 0.293 836 Y C 2.405 178.272 175.900 -0.055 0.000 1.133 836 Y CA 0.263 58.327 58.100 -0.060 0.000 1.283 836 Y CB -0.336 38.078 38.460 -0.076 0.000 1.001 836 Y HN 0.288 nan 8.280 nan 0.000 0.555 837 E N -0.823 119.412 120.200 0.058 0.000 2.230 837 E HA -0.041 4.316 4.350 0.011 0.000 0.192 837 E C 1.759 178.362 176.600 0.006 0.000 0.987 837 E CA 0.869 57.281 56.400 0.020 0.000 0.841 837 E CB 0.086 29.777 29.700 -0.015 0.000 0.783 837 E HN 0.119 nan 8.360 nan 0.000 0.481 838 S N -0.740 114.952 115.700 -0.012 0.000 2.575 838 S HA 0.142 4.618 4.470 0.011 0.000 0.215 838 S C -0.277 174.329 174.600 0.010 0.000 0.966 838 S CA 0.216 58.409 58.200 -0.011 0.000 0.911 838 S CB -0.236 62.943 63.200 -0.035 0.000 0.780 838 S HN 0.489 nan 8.310 nan 0.000 0.514 839 C N -0.317 119.003 119.300 0.033 0.000 3.268 839 C HA 0.487 4.954 4.460 0.011 0.000 0.374 839 C C -1.863 173.188 174.990 0.103 0.000 1.126 839 C CA -1.586 57.465 59.018 0.056 0.000 1.162 839 C CB 0.672 28.441 27.740 0.048 0.000 1.503 839 C HN 0.180 nan 8.230 nan 0.000 0.538 840 D N 1.694 122.149 120.400 0.093 0.000 2.380 840 D HA 0.410 5.057 4.640 0.011 0.000 0.230 840 D C 1.366 177.753 176.300 0.146 0.000 1.154 840 D CA 0.057 54.117 54.000 0.100 0.000 0.859 840 D CB 1.708 42.528 40.800 0.034 0.000 1.045 840 D HN 0.908 nan 8.370 nan 0.000 0.495 841 V N 3.005 123.050 119.914 0.219 0.000 2.343 841 V HA -0.219 3.908 4.120 0.011 0.000 0.247 841 V C 2.251 178.541 176.094 0.326 0.000 1.051 841 V CA 1.099 63.588 62.300 0.315 0.000 1.036 841 V CB -0.948 31.128 31.823 0.421 0.000 0.654 841 V HN 0.512 nan 8.190 nan 0.000 0.451 842 L N 0.742 122.055 121.223 0.151 0.000 2.027 842 L HA 0.006 4.352 4.340 0.011 0.000 0.206 842 L C 3.027 179.937 176.870 0.066 0.000 1.074 842 L CA 1.651 56.486 54.840 -0.008 0.000 0.745 842 L CB -0.929 40.884 42.059 -0.410 0.000 0.898 842 L HN 0.404 nan 8.230 nan 0.000 0.433 843 A N -0.618 122.196 122.820 -0.011 0.000 2.015 843 A HA -0.208 4.118 4.320 0.011 0.000 0.219 843 A C 1.885 179.564 177.584 0.158 0.000 1.163 843 A CA 1.741 53.794 52.037 0.026 0.000 0.646 843 A CB -0.401 18.574 19.000 -0.043 0.000 0.806 843 A HN 0.329 nan 8.150 nan 0.000 0.448 844 D N -1.341 119.179 120.400 0.199 0.000 2.149 844 D HA -0.063 4.584 4.640 0.011 0.000 0.201 844 D C 1.539 178.025 176.300 0.310 0.000 0.972 844 D CA 0.783 54.916 54.000 0.223 0.000 0.835 844 D CB -0.307 40.630 40.800 0.227 0.000 0.966 844 D HN 0.387 nan 8.370 nan 0.000 0.476 845 F N 0.763 120.856 119.950 0.239 0.000 2.102 845 F HA -0.223 4.311 4.527 0.011 0.000 0.298 845 F C 2.175 178.124 175.800 0.248 0.000 1.105 845 F CA 1.112 59.293 58.000 0.302 0.000 1.239 845 F CB -0.991 38.172 39.000 0.272 0.000 0.991 845 F HN -0.024 nan 8.300 nan 0.000 0.474 846 Y N 1.442 121.730 120.300 -0.021 0.000 2.030 846 Y HA -0.300 4.257 4.550 0.011 0.000 0.274 846 Y C 2.239 177.703 175.900 -0.728 0.000 1.153 846 Y CA 2.442 60.182 58.100 -0.600 0.000 1.115 846 Y CB -1.063 37.341 38.460 -0.093 0.000 0.969 846 Y HN 0.114 nan 8.280 nan 0.000 0.488 847 D N -0.417 119.946 120.400 -0.062 0.000 2.322 847 D HA -0.219 4.427 4.640 0.011 0.000 0.210 847 D C 1.970 178.159 176.300 -0.184 0.000 0.983 847 D CA 1.413 55.361 54.000 -0.088 0.000 0.902 847 D CB -0.137 40.701 40.800 0.063 0.000 0.905 847 D HN 0.468 nan 8.370 nan 0.000 0.483 848 Q N -1.040 118.642 119.800 -0.197 0.000 2.061 848 Q HA -0.013 4.333 4.340 0.011 0.000 0.195 848 Q C 1.664 177.613 176.000 -0.085 0.000 0.967 848 Q CA 0.936 56.723 55.803 -0.027 0.000 0.829 848 Q CB -0.038 28.804 28.738 0.175 0.000 0.900 848 Q HN 0.527 nan 8.270 nan 0.000 0.450 849 F N -1.834 117.961 119.950 -0.258 0.000 2.619 849 F HA 0.499 5.033 4.527 0.011 0.000 0.293 849 F C 1.694 177.252 175.800 -0.404 0.000 1.119 849 F CA 0.220 58.053 58.000 -0.277 0.000 1.445 849 F CB -0.633 38.159 39.000 -0.347 0.000 1.119 849 F HN 0.047 nan 8.300 nan 0.000 0.573 850 A N 1.152 123.250 122.820 -1.203 0.000 1.869 850 A HA -0.292 4.035 4.320 0.011 0.000 0.218 850 A C 1.737 179.103 177.584 -0.363 0.000 1.203 850 A CA 2.539 53.955 52.037 -1.034 0.000 0.638 850 A CB -1.382 16.849 19.000 -1.281 0.000 0.831 850 A HN 0.553 nan 8.150 nan 0.000 0.450 851 D N -0.804 119.448 120.400 -0.247 0.000 2.036 851 D HA -0.080 4.566 4.640 0.011 0.000 0.236 851 D C 0.806 177.101 176.300 -0.008 0.000 0.976 851 D CA 0.901 54.853 54.000 -0.080 0.000 0.918 851 D CB -0.378 40.387 40.800 -0.058 0.000 1.094 851 D HN 0.431 nan 8.370 nan 0.000 0.459 852 Q N 0.039 119.842 119.800 0.006 0.000 2.443 852 Q HA 0.142 4.488 4.340 0.011 0.000 0.220 852 Q C -0.775 175.275 176.000 0.084 0.000 1.142 852 Q CA 0.014 55.846 55.803 0.049 0.000 1.011 852 Q CB -0.885 27.891 28.738 0.064 0.000 1.467 852 Q HN 0.244 nan 8.270 nan 0.000 0.450 853 L N 1.198 122.469 121.223 0.081 0.000 2.041 853 L HA -0.304 4.043 4.340 0.011 0.000 0.469 853 L C 0.325 177.308 176.870 0.188 0.000 1.003 853 L CA 1.606 56.506 54.840 0.100 0.000 1.241 853 L CB -0.727 41.379 42.059 0.078 0.000 1.215 853 L HN 0.939 nan 8.230 nan 0.000 0.624 854 H N -0.387 118.697 119.070 0.024 0.000 1.803 854 H HA -0.048 4.514 4.556 0.011 0.000 0.116 854 H C 1.025 176.361 175.328 0.014 0.000 0.961 854 H CA 0.600 56.663 56.048 0.026 0.000 0.417 854 H CB 0.295 30.098 29.762 0.068 0.000 0.331 854 H HN 0.693 nan 8.280 nan 0.000 0.214 855 E N 1.795 122.052 120.200 0.094 0.000 4.481 855 E HA -0.120 4.236 4.350 0.011 0.000 0.580 855 E C 1.006 177.602 176.600 -0.007 0.000 1.479 855 E CA 1.403 57.837 56.400 0.055 0.000 3.940 855 E CB -0.212 29.512 29.700 0.039 0.000 0.914 855 E HN 0.469 nan 8.360 nan 0.000 0.301 856 S N -0.969 114.731 115.700 -0.001 0.000 3.525 856 S HA -0.251 4.226 4.470 0.011 0.000 0.629 856 S C 0.223 174.822 174.600 -0.003 0.000 2.621 856 S CA 1.400 59.592 58.200 -0.012 0.000 3.752 856 S CB -0.582 62.596 63.200 -0.037 0.000 0.260 856 S HN 0.509 nan 8.310 nan 0.000 1.214 857 Q N 1.008 120.799 119.800 -0.015 0.000 2.965 857 Q HA 0.521 4.867 4.340 0.011 0.000 0.288 857 Q C -0.471 175.517 176.000 -0.020 0.000 0.974 857 Q CA -0.160 55.644 55.803 0.000 0.000 0.849 857 Q CB 0.853 29.594 28.738 0.006 0.000 1.280 857 Q HN 0.516 nan 8.270 nan 0.000 0.441 858 L N 1.172 122.366 121.223 -0.048 0.000 2.700 858 L HA 0.300 4.647 4.340 0.011 0.000 0.234 858 L C -0.295 176.574 176.870 -0.003 0.000 1.156 858 L CA 0.359 55.139 54.840 -0.099 0.000 0.946 858 L CB 0.486 42.365 42.059 -0.300 0.000 1.216 858 L HN 0.206 nan 8.230 nan 0.000 0.493 859 D N 0.320 120.761 120.400 0.067 0.000 2.736 859 D HA -0.005 4.641 4.640 0.011 0.000 0.228 859 D C 1.006 177.360 176.300 0.090 0.000 1.077 859 D CA 0.396 54.471 54.000 0.126 0.000 1.096 859 D CB 0.190 41.062 40.800 0.120 0.000 1.138 859 D HN -0.011 nan 8.370 nan 0.000 0.461 860 K N 0.380 120.826 120.400 0.078 0.000 2.374 860 K HA 0.136 4.463 4.320 0.011 0.000 0.202 860 K C 0.370 177.013 176.600 0.072 0.000 1.040 860 K CA -0.468 55.851 56.287 0.053 0.000 1.085 860 K CB 0.228 32.740 32.500 0.021 0.000 0.873 860 K HN 0.285 nan 8.250 nan 0.000 0.539 861 M N 4.250 123.924 119.600 0.122 0.000 2.390 861 M HA 0.045 4.532 4.480 0.011 0.000 0.353 861 M C -2.030 174.361 176.300 0.151 0.000 1.623 861 M CA -1.254 54.130 55.300 0.141 0.000 1.065 861 M CB 0.239 32.997 32.600 0.262 0.000 2.025 861 M HN -0.122 nan 8.290 nan 0.000 0.461 862 P HA 0.182 nan 4.420 nan 0.000 0.270 862 P C -1.211 176.270 177.300 0.301 0.000 1.227 862 P CA -0.343 62.870 63.100 0.189 0.000 0.788 862 P CB 0.268 32.088 31.700 0.200 0.000 0.926 863 A N 1.876 124.816 122.820 0.201 0.000 2.340 863 A HA 0.348 4.674 4.320 0.011 0.000 0.268 863 A C 0.519 178.154 177.584 0.085 0.000 1.100 863 A CA -0.717 51.394 52.037 0.123 0.000 0.803 863 A CB -0.311 18.702 19.000 0.022 0.000 1.043 863 A HN 0.573 nan 8.150 nan 0.000 0.488 864 L N 3.346 124.512 121.223 -0.095 0.000 2.593 864 L HA 0.075 4.422 4.340 0.011 0.000 0.287 864 L C -1.385 175.292 176.870 -0.322 0.000 1.243 864 L CA -0.763 53.798 54.840 -0.466 0.000 0.890 864 L CB -0.020 41.764 42.059 -0.458 0.000 1.134 864 L HN 0.584 nan 8.230 nan 0.000 0.502 865 P HA 0.100 nan 4.420 nan 0.000 0.269 865 P C -0.757 176.432 177.300 -0.184 0.000 1.215 865 P CA -0.521 62.454 63.100 -0.208 0.000 0.780 865 P CB 0.754 32.336 31.700 -0.196 0.000 0.898 866 A N 2.605 125.350 122.820 -0.125 0.000 2.407 866 A HA 0.257 4.584 4.320 0.011 0.000 0.248 866 A C 0.337 177.856 177.584 -0.107 0.000 1.082 866 A CA -0.101 51.872 52.037 -0.107 0.000 0.785 866 A CB -0.197 18.756 19.000 -0.078 0.000 1.020 866 A HN 0.407 nan 8.150 nan 0.000 0.489 867 K N 0.684 121.025 120.400 -0.099 0.000 2.126 867 K HA 0.531 4.858 4.320 0.011 0.000 0.257 867 K C 0.879 177.433 176.600 -0.077 0.000 1.007 867 K CA 0.716 56.948 56.287 -0.092 0.000 0.928 867 K CB 0.985 33.435 32.500 -0.084 0.000 1.013 867 K HN 0.818 nan 8.250 nan 0.000 0.473 868 G N 0.152 108.906 108.800 -0.076 0.000 2.641 868 G HA2 0.077 4.044 3.960 0.011 0.000 0.239 868 G HA3 0.077 4.044 3.960 0.011 0.000 0.239 868 G C 0.088 174.952 174.900 -0.059 0.000 1.402 868 G CA -0.500 44.559 45.100 -0.067 0.000 1.046 868 G HN 0.591 nan 8.290 nan 0.000 0.565 869 N N -0.622 118.045 118.700 -0.055 0.000 2.280 869 N HA 0.028 4.774 4.740 0.011 0.000 0.192 869 N C 0.591 176.071 175.510 -0.049 0.000 1.109 869 N CA -0.312 52.709 53.050 -0.048 0.000 0.855 869 N CB 0.424 38.886 38.487 -0.042 0.000 0.974 869 N HN 0.236 nan 8.380 nan 0.000 0.482 870 L N 2.165 123.353 121.223 -0.058 0.000 2.578 870 L HA -0.024 4.322 4.340 0.011 0.000 0.279 870 L C 0.482 177.319 176.870 -0.055 0.000 1.227 870 L CA 0.436 55.240 54.840 -0.061 0.000 0.900 870 L CB -0.015 41.998 42.059 -0.077 0.000 1.144 870 L HN 0.096 nan 8.230 nan 0.000 0.496 871 N N 4.701 123.373 118.700 -0.047 0.000 2.457 871 N HA 0.160 4.906 4.740 0.011 0.000 0.250 871 N C 0.894 176.377 175.510 -0.044 0.000 0.982 871 N CA -0.652 52.374 53.050 -0.040 0.000 0.941 871 N CB 0.625 39.094 38.487 -0.031 0.000 1.120 871 N HN 0.837 nan 8.380 nan 0.000 0.505 872 L N 2.726 123.922 121.223 -0.044 0.000 2.187 872 L HA -0.154 4.193 4.340 0.011 0.000 0.213 872 L C 2.506 179.350 176.870 -0.043 0.000 1.100 872 L CA 0.741 55.553 54.840 -0.047 0.000 0.765 872 L CB -0.331 41.709 42.059 -0.032 0.000 0.904 872 L HN 0.613 nan 8.230 nan 0.000 0.437 873 R N 0.348 120.829 120.500 -0.033 0.000 2.139 873 R HA -0.184 4.163 4.340 0.011 0.000 0.243 873 R C 1.671 177.954 176.300 -0.028 0.000 1.145 873 R CA 1.468 57.551 56.100 -0.027 0.000 0.976 873 R CB -0.755 29.535 30.300 -0.017 0.000 0.866 873 R HN 0.429 nan 8.270 nan 0.000 0.449 874 D N 0.572 120.953 120.400 -0.031 0.000 2.182 874 D HA -0.132 4.514 4.640 0.011 0.000 0.201 874 D C 1.881 178.157 176.300 -0.041 0.000 0.986 874 D CA 0.823 54.804 54.000 -0.031 0.000 0.847 874 D CB -0.300 40.480 40.800 -0.033 0.000 0.942 874 D HN 0.252 nan 8.370 nan 0.000 0.467 875 I N 0.398 120.933 120.570 -0.057 0.000 2.399 875 I HA -0.251 3.925 4.170 0.011 0.000 0.254 875 I C 2.156 178.225 176.117 -0.080 0.000 1.146 875 I CA 0.612 61.865 61.300 -0.078 0.000 1.412 875 I CB -0.156 37.786 38.000 -0.097 0.000 1.076 875 I HN 0.043 nan 8.210 nan 0.000 0.432 876 L N -0.039 121.151 121.223 -0.055 0.000 2.093 876 L HA -0.168 4.178 4.340 0.011 0.000 0.208 876 L C 1.994 178.865 176.870 0.001 0.000 1.085 876 L CA 1.142 55.961 54.840 -0.035 0.000 0.755 876 L CB -0.345 41.709 42.059 -0.009 0.000 0.904 876 L HN 0.147 nan 8.230 nan 0.000 0.435 877 E N -0.566 119.636 120.200 0.004 0.000 2.479 877 E HA 0.027 4.383 4.350 0.011 0.000 0.193 877 E C 0.653 177.260 176.600 0.012 0.000 1.049 877 E CA -0.079 56.339 56.400 0.029 0.000 0.870 877 E CB 0.285 29.997 29.700 0.020 0.000 0.944 877 E HN 0.074 nan 8.360 nan 0.000 0.492 878 S N 0.498 116.181 115.700 -0.028 0.000 2.505 878 S HA 0.032 4.509 4.470 0.011 0.000 0.276 878 S C 0.358 174.918 174.600 -0.066 0.000 1.274 878 S CA -0.474 57.687 58.200 -0.065 0.000 1.053 878 S CB 0.610 63.766 63.200 -0.073 0.000 0.919 878 S HN -0.043 nan 8.310 nan 0.000 0.490 879 D N 3.540 123.823 120.400 -0.196 0.000 2.301 879 D HA 0.131 4.778 4.640 0.011 0.000 0.206 879 D C 0.615 176.840 176.300 -0.125 0.000 0.979 879 D CA 0.797 54.739 54.000 -0.096 0.000 0.874 879 D CB -0.009 40.486 40.800 -0.508 0.000 0.968 879 D HN 0.651 nan 8.370 nan 0.000 0.510 880 F N 0.399 120.407 119.950 0.097 0.000 2.727 880 F HA 0.404 4.938 4.527 0.011 0.000 0.302 880 F C 2.012 177.683 175.800 -0.215 0.000 1.097 880 F CA -0.486 57.470 58.000 -0.074 0.000 1.330 880 F CB -0.454 38.428 39.000 -0.197 0.000 1.084 880 F HN -0.124 nan 8.300 nan 0.000 0.578 881 A N -0.155 122.678 122.820 0.021 0.000 1.897 881 A HA 0.000 4.327 4.320 0.011 0.000 0.215 881 A C 1.674 179.294 177.584 0.059 0.000 1.181 881 A CA 1.363 53.380 52.037 -0.033 0.000 0.620 881 A CB -0.708 18.246 19.000 -0.077 0.000 0.821 881 A HN 0.436 nan 8.150 nan 0.000 0.443 882 F N -2.331 117.548 119.950 -0.118 0.000 2.552 882 F HA -0.413 4.121 4.527 0.011 0.000 0.715 882 F C 1.535 177.212 175.800 -0.205 0.000 0.486 882 F CA 0.524 58.428 58.000 -0.160 0.000 0.717 882 F CB -1.629 37.469 39.000 0.163 0.000 1.598 882 F HN 0.490 nan 8.300 nan 0.000 0.270 883 A N 0.000 122.959 122.820 0.231 0.000 2.254 883 A HA 0.000 4.327 4.320 0.011 0.000 0.244 883 A CA 0.000 52.148 52.037 0.185 0.000 0.836 883 A CB 0.000 19.260 19.000 0.434 0.000 0.831 883 A HN 0.000 nan 8.150 nan 0.000 0.486