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 2pfd_1_A DATA FIRST_RESID 2 DATA SEQUENCE SQLVECVPNF SEGNNQEVID AISQAISQTP GCVLLDVDAG PSTNRTVYTF DATA SEQUENCE VGQPECVVEG ALSAARTASQ LIDXRKHKGE HPRXGALDVC PFIPVRGVSX DATA SEQUENCE DECVLCAKAF GQRLAEELNV PVYLYGEAAQ XPSRQTLPAI RAGEYEALPE DATA SEQUENCE KLKQAEWVPD FGPSSFVPSW GATVTGARKF LIAFNINLLS TKEQAHRIAL DATA SEQUENCE NLREQGRGKD QPGRLKKVQG IGWYLEEKNL AQVSTNLLDF EVTALHTVYE DATA SEQUENCE EARREAQELN LPVVGSQLVG LVPLKALLDA AAFYCDKEKL FVLEEEHRIR DATA SEQUENCE LVVNRLGLDS LAPFDPKERI IEYLVPDSGP EQSLLDASLR AFVREVGARS DATA SEQUENCE AAPGGGSVAA AVAALGAALA SXVGQXTYGR RQFDHLDSTX RRLIPPFHAA DATA SEQUENCE SAQLTSLVDA DARAFAACLG AIKLPKNTPE ERDRRTCALQ EGLRQAVAVP DATA SEQUENCE LKLAETVSQL WPALQELAQC GNLSCLSDLQ VAAKALETGV FGAYFNVLIN DATA SEQUENCE LKDXTDDVFK EKTRHRISSL LQEAKTQAAL VLGSLEARKE 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.621 174.600 0.036 0.000 1.055 2 S CA 0.000 58.217 58.200 0.028 0.000 1.107 2 S CB 0.000 63.213 63.200 0.022 0.000 0.593 3 Q N 1.319 121.142 119.800 0.040 0.000 2.434 3 Q HA -0.115 4.225 4.340 -0.000 0.000 0.288 3 Q C -1.508 174.525 176.000 0.054 0.000 1.372 3 Q CA 0.297 56.128 55.803 0.045 0.000 0.731 3 Q CB -1.137 27.626 28.738 0.042 0.000 1.126 3 Q HN 0.538 nan 8.270 nan 0.000 0.398 4 L N 0.690 121.948 121.223 0.058 0.000 2.290 4 L HA 0.510 4.850 4.340 -0.000 0.000 0.284 4 L C 0.283 177.197 176.870 0.072 0.000 1.078 4 L CA -0.180 54.700 54.840 0.065 0.000 0.815 4 L CB 1.740 43.838 42.059 0.066 0.000 1.162 4 L HN 0.071 nan 8.230 nan 0.000 0.435 5 V N 4.618 124.570 119.914 0.065 0.000 2.487 5 V HA 0.329 4.448 4.120 -0.000 0.000 0.298 5 V C 0.152 176.235 176.094 -0.019 0.000 1.028 5 V CA -0.805 61.526 62.300 0.052 0.000 0.860 5 V CB 2.309 34.180 31.823 0.080 0.000 0.991 5 V HN 0.745 nan 8.190 nan 0.000 0.427 6 E N 3.365 123.537 120.200 -0.045 0.000 2.313 6 E HA 0.462 4.812 4.350 -0.000 0.000 0.272 6 E C -1.206 175.158 176.600 -0.395 0.000 1.038 6 E CA -0.312 55.983 56.400 -0.175 0.000 0.863 6 E CB 1.466 31.117 29.700 -0.081 0.000 1.060 6 E HN 0.750 nan 8.360 nan 0.000 0.402 7 C N 4.485 123.362 119.300 -0.705 0.000 2.599 7 C HA 0.415 4.875 4.460 -0.000 0.000 0.354 7 C C -1.077 173.360 174.990 -0.921 0.000 1.092 7 C CA -0.491 57.895 59.018 -1.053 0.000 1.280 7 C CB 0.192 27.009 27.740 -1.538 0.000 1.829 7 C HN 0.501 nan 8.230 nan 0.000 0.454 8 V N 8.945 128.516 119.914 -0.572 0.000 2.225 8 V HA 0.334 4.454 4.120 -0.000 0.000 0.264 8 V C -1.954 174.028 176.094 -0.186 0.000 1.067 8 V CA -1.041 61.084 62.300 -0.291 0.000 0.903 8 V CB 0.967 32.661 31.823 -0.216 0.000 1.136 8 V HN 0.798 nan 8.190 nan 0.000 0.456 9 P HA 0.030 nan 4.420 nan 0.000 0.267 9 P C -0.304 176.980 177.300 -0.028 0.000 1.209 9 P CA 0.140 63.170 63.100 -0.116 0.000 0.763 9 P CB 0.651 32.306 31.700 -0.075 0.000 0.816 10 N N 3.479 122.107 118.700 -0.119 0.000 2.558 10 N HA 0.199 4.939 4.740 -0.000 0.000 0.233 10 N C -0.983 174.462 175.510 -0.108 0.000 1.038 10 N CA -0.321 52.707 53.050 -0.037 0.000 0.934 10 N CB -0.150 38.321 38.487 -0.028 0.000 1.175 10 N HN 0.223 nan 8.380 nan 0.000 0.512 11 F N 0.744 120.773 119.950 0.132 0.000 2.404 11 F HA 0.174 4.702 4.527 0.001 0.000 0.345 11 F C 1.272 177.063 175.800 -0.014 0.000 1.110 11 F CA -0.475 57.572 58.000 0.079 0.000 1.130 11 F CB 1.225 40.366 39.000 0.234 0.000 1.129 11 F HN 0.186 nan 8.300 nan 0.000 0.500 12 S N 3.479 119.222 115.700 0.073 0.000 3.517 12 S HA -0.027 4.443 4.470 -0.000 0.000 0.284 12 S C 1.500 175.991 174.600 -0.182 0.000 1.260 12 S CA -0.198 57.891 58.200 -0.185 0.000 0.975 12 S CB -0.433 62.477 63.200 -0.483 0.000 1.540 12 S HN 0.813 nan 8.310 nan 0.000 0.506 13 E N 2.997 123.195 120.200 -0.003 0.000 2.276 13 E HA -0.369 3.981 4.350 -0.000 0.000 0.226 13 E C 1.831 178.432 176.600 0.003 0.000 1.090 13 E CA 1.972 58.392 56.400 0.034 0.000 0.930 13 E CB -0.372 29.366 29.700 0.062 0.000 0.791 13 E HN 0.871 nan 8.360 nan 0.000 0.467 14 G N 0.863 109.681 108.800 0.031 0.000 2.855 14 G HA2 -0.477 3.483 3.960 -0.000 0.000 0.231 14 G HA3 -0.477 3.483 3.960 -0.000 0.000 0.231 14 G C 0.380 175.324 174.900 0.074 0.000 1.242 14 G CA 0.892 46.036 45.100 0.074 0.000 0.789 14 G HN 0.758 nan 8.290 nan 0.000 0.517 15 N N -0.354 118.372 118.700 0.043 0.000 2.596 15 N HA 0.027 4.767 4.740 -0.000 0.000 0.274 15 N C -0.731 174.787 175.510 0.013 0.000 1.258 15 N CA 2.004 55.072 53.050 0.029 0.000 0.636 15 N CB -1.431 37.078 38.487 0.036 0.000 0.928 15 N HN 2.258 nan 8.380 nan 0.000 0.540 16 N N 1.333 120.035 118.700 0.003 0.000 6.361 16 N HA 0.033 4.773 4.740 -0.000 0.000 0.121 16 N C 0.631 176.136 175.510 -0.008 0.000 0.988 16 N CA -0.221 52.827 53.050 -0.003 0.000 1.162 16 N CB 0.333 38.819 38.487 -0.001 0.000 1.433 16 N HN 0.089 nan 8.380 nan 0.000 1.190 17 Q N 1.808 121.603 119.800 -0.008 0.000 2.135 17 Q HA -0.336 4.004 4.340 -0.000 0.000 0.218 17 Q C 0.692 176.684 176.000 -0.013 0.000 1.058 17 Q CA 2.906 58.703 55.803 -0.010 0.000 0.926 17 Q CB -0.641 28.092 28.738 -0.009 0.000 1.065 17 Q HN 0.896 nan 8.270 nan 0.000 0.433 18 E N -0.359 119.832 120.200 -0.015 0.000 2.169 18 E HA -0.200 4.150 4.350 -0.000 0.000 0.202 18 E C 2.086 178.666 176.600 -0.033 0.000 1.016 18 E CA 1.677 58.065 56.400 -0.020 0.000 0.817 18 E CB -0.170 29.520 29.700 -0.017 0.000 0.736 18 E HN 0.196 nan 8.360 nan 0.000 0.462 19 V N 0.919 120.812 119.914 -0.035 0.000 2.302 19 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 19 V C 2.196 178.250 176.094 -0.067 0.000 1.036 19 V CA 1.434 63.698 62.300 -0.060 0.000 1.020 19 V CB -0.382 31.407 31.823 -0.057 0.000 0.657 19 V HN 0.203 nan 8.190 nan 0.000 0.453 20 I N 0.683 121.244 120.570 -0.015 0.000 2.058 20 I HA -0.263 3.907 4.170 -0.000 0.000 0.235 20 I C 2.251 178.409 176.117 0.069 0.000 1.053 20 I CA 2.040 63.378 61.300 0.062 0.000 1.313 20 I CB -0.746 37.273 38.000 0.032 0.000 1.039 20 I HN 0.326 nan 8.210 nan 0.000 0.396 21 D N 1.110 121.526 120.400 0.026 0.000 2.309 21 D HA -0.125 4.515 4.640 -0.000 0.000 0.212 21 D C 2.032 178.321 176.300 -0.019 0.000 0.968 21 D CA 1.391 55.401 54.000 0.017 0.000 0.882 21 D CB -0.050 40.752 40.800 0.002 0.000 0.918 21 D HN 0.454 nan 8.370 nan 0.000 0.503 22 A N 0.962 123.753 122.820 -0.049 0.000 1.861 22 A HA -0.015 4.305 4.320 -0.000 0.000 0.212 22 A C 2.321 179.823 177.584 -0.136 0.000 1.199 22 A CA 0.265 52.255 52.037 -0.078 0.000 0.613 22 A CB -0.522 18.433 19.000 -0.074 0.000 0.846 22 A HN 0.070 nan 8.150 nan 0.000 0.446 23 I N 0.660 121.095 120.570 -0.224 0.000 2.118 23 I HA -0.287 3.882 4.170 -0.000 0.000 0.241 23 I C 2.803 178.707 176.117 -0.355 0.000 1.070 23 I CA 1.855 62.905 61.300 -0.416 0.000 1.327 23 I CB -0.230 37.274 38.000 -0.827 0.000 1.034 23 I HN 0.471 nan 8.210 nan 0.000 0.405 24 S N -0.176 115.417 115.700 -0.177 0.000 2.537 24 S HA -0.174 4.296 4.470 -0.000 0.000 0.240 24 S C 1.776 176.347 174.600 -0.048 0.000 0.981 24 S CA 1.071 59.268 58.200 -0.004 0.000 0.948 24 S CB -0.174 63.196 63.200 0.284 0.000 0.759 24 S HN 0.506 nan 8.310 nan 0.000 0.531 25 Q N 0.277 120.029 119.800 -0.080 0.000 2.159 25 Q HA 0.287 4.627 4.340 -0.000 0.000 0.194 25 Q C 2.688 178.627 176.000 -0.101 0.000 0.968 25 Q CA 0.831 56.590 55.803 -0.072 0.000 0.837 25 Q CB -0.456 28.249 28.738 -0.054 0.000 0.920 25 Q HN 0.662 nan 8.270 nan 0.000 0.485 26 A N 1.368 124.119 122.820 -0.114 0.000 1.997 26 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 26 A C 1.964 179.458 177.584 -0.150 0.000 1.172 26 A CA 1.328 53.299 52.037 -0.110 0.000 0.645 26 A CB -0.758 18.182 19.000 -0.101 0.000 0.813 26 A HN 0.504 nan 8.150 nan 0.000 0.454 27 I N -1.708 118.731 120.570 -0.219 0.000 2.439 27 I HA -0.089 4.080 4.170 -0.000 0.000 0.251 27 I C 2.206 178.135 176.117 -0.313 0.000 1.139 27 I CA 1.589 62.682 61.300 -0.346 0.000 1.438 27 I CB 0.074 37.796 38.000 -0.465 0.000 1.085 27 I HN 0.263 nan 8.210 nan 0.000 0.427 28 S N -0.137 115.450 115.700 -0.187 0.000 2.548 28 S HA 0.088 4.558 4.470 -0.000 0.000 0.215 28 S C 1.293 175.842 174.600 -0.084 0.000 0.976 28 S CA 0.103 58.230 58.200 -0.121 0.000 0.908 28 S CB 0.012 63.173 63.200 -0.065 0.000 0.781 28 S HN 0.541 nan 8.310 nan 0.000 0.519 29 Q N 0.976 120.724 119.800 -0.086 0.000 2.204 29 Q HA 0.186 4.525 4.340 -0.000 0.000 0.209 29 Q C -0.590 175.376 176.000 -0.057 0.000 0.861 29 Q CA -0.003 55.766 55.803 -0.058 0.000 0.971 29 Q CB 0.897 29.606 28.738 -0.047 0.000 1.095 29 Q HN 0.223 nan 8.270 nan 0.000 0.486 30 T N 3.064 117.569 114.554 -0.082 0.000 2.744 30 T HA 0.317 4.667 4.350 -0.000 0.000 0.291 30 T C -2.435 172.240 174.700 -0.041 0.000 0.957 30 T CA -1.547 60.513 62.100 -0.066 0.000 1.002 30 T CB 1.019 69.825 68.868 -0.103 0.000 0.919 30 T HN -0.025 nan 8.240 nan 0.000 0.468 31 P HA 0.438 nan 4.420 nan 0.000 0.281 31 P C 0.952 178.261 177.300 0.015 0.000 1.252 31 P CA 0.138 63.238 63.100 -0.000 0.000 0.778 31 P CB 0.754 32.457 31.700 0.005 0.000 0.895 32 G N 1.241 110.055 108.800 0.024 0.000 2.184 32 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.206 32 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.206 32 G C 0.041 174.982 174.900 0.067 0.000 0.995 32 G CA -0.030 45.096 45.100 0.043 0.000 0.651 32 G HN 0.786 nan 8.290 nan 0.000 0.511 33 C N -0.574 118.763 119.300 0.062 0.000 2.848 33 C HA 0.939 5.399 4.460 -0.000 0.000 0.317 33 C C 0.047 175.085 174.990 0.079 0.000 1.260 33 C CA -1.373 57.714 59.018 0.114 0.000 1.656 33 C CB 1.788 29.646 27.740 0.198 0.000 2.174 33 C HN 0.558 nan 8.230 nan 0.000 0.479 34 V N 1.574 121.566 119.914 0.130 0.000 2.577 34 V HA 0.417 4.537 4.120 -0.000 0.000 0.303 34 V C -0.546 175.633 176.094 0.142 0.000 1.042 34 V CA -0.260 62.097 62.300 0.095 0.000 0.872 34 V CB 1.607 33.477 31.823 0.079 0.000 0.998 34 V HN 0.809 nan 8.190 nan 0.000 0.423 35 L N 5.382 126.660 121.223 0.092 0.000 2.369 35 L HA 0.302 4.642 4.340 -0.000 0.000 0.279 35 L C 0.770 177.713 176.870 0.121 0.000 1.108 35 L CA 0.780 55.697 54.840 0.129 0.000 0.852 35 L CB 0.417 42.515 42.059 0.065 0.000 1.169 35 L HN 0.612 nan 8.230 nan 0.000 0.452 36 L N 2.704 124.016 121.223 0.149 0.000 2.408 36 L HA 0.295 4.635 4.340 -0.000 0.000 0.215 36 L C -0.276 176.633 176.870 0.065 0.000 1.081 36 L CA 0.306 55.202 54.840 0.093 0.000 0.840 36 L CB 0.129 42.240 42.059 0.086 0.000 1.002 36 L HN 0.722 nan 8.230 nan 0.000 0.468 37 D N -1.462 118.984 120.400 0.076 0.000 2.785 37 D HA 0.061 4.701 4.640 -0.000 0.000 0.239 37 D C -1.460 174.852 176.300 0.020 0.000 1.142 37 D CA -0.275 53.744 54.000 0.033 0.000 0.734 37 D CB 1.632 42.436 40.800 0.007 0.000 1.820 37 D HN -0.236 nan 8.370 nan 0.000 0.461 38 V N 3.454 123.338 119.914 -0.050 0.000 2.284 38 V HA 0.462 4.582 4.120 -0.000 0.000 0.274 38 V C -0.952 175.010 176.094 -0.220 0.000 1.023 38 V CA -0.589 61.580 62.300 -0.219 0.000 0.808 38 V CB 1.074 32.738 31.823 -0.266 0.000 1.035 38 V HN 0.585 nan 8.190 nan 0.000 0.445 39 D N 6.088 126.368 120.400 -0.200 0.000 2.317 39 D HA 0.520 5.160 4.640 -0.000 0.000 0.252 39 D C -0.198 175.995 176.300 -0.179 0.000 1.174 39 D CA 0.148 54.059 54.000 -0.148 0.000 0.866 39 D CB 1.926 42.667 40.800 -0.098 0.000 1.127 39 D HN 0.785 nan 8.370 nan 0.000 0.467 40 A N 2.752 125.490 122.820 -0.136 0.000 2.350 40 A HA 0.703 5.023 4.320 -0.000 0.000 0.324 40 A C -0.030 177.516 177.584 -0.064 0.000 1.118 40 A CA -0.598 51.374 52.037 -0.109 0.000 0.783 40 A CB 1.808 20.746 19.000 -0.103 0.000 1.236 40 A HN 0.543 nan 8.150 nan 0.000 0.457 41 G N 2.377 111.150 108.800 -0.045 0.000 2.883 41 G HA2 0.525 4.484 3.960 -0.000 0.000 0.285 41 G HA3 0.525 4.484 3.960 -0.000 0.000 0.285 41 G C -2.240 172.656 174.900 -0.007 0.000 1.526 41 G CA -1.332 43.751 45.100 -0.029 0.000 1.062 41 G HN 0.342 nan 8.290 nan 0.000 0.550 42 P HA -0.249 nan 4.420 nan 0.000 0.216 42 P C 2.368 179.676 177.300 0.014 0.000 1.167 42 P CA 2.352 65.457 63.100 0.008 0.000 0.914 42 P CB 0.290 31.992 31.700 0.004 0.000 0.793 43 S N -1.643 114.064 115.700 0.013 0.000 2.428 43 S HA -0.111 4.359 4.470 -0.000 0.000 0.230 43 S C 1.808 176.424 174.600 0.027 0.000 1.014 43 S CA 1.806 60.016 58.200 0.017 0.000 0.957 43 S CB -1.935 61.276 63.200 0.020 0.000 0.784 43 S HN 0.283 nan 8.310 nan 0.000 0.499 44 T N -0.849 113.719 114.554 0.024 0.000 3.023 44 T HA 0.103 4.453 4.350 -0.000 0.000 0.266 44 T C 0.822 175.577 174.700 0.091 0.000 1.093 44 T CA 0.552 62.679 62.100 0.046 0.000 1.129 44 T CB -0.968 67.876 68.868 -0.041 0.000 0.899 44 T HN 0.433 nan 8.240 nan 0.000 0.491 45 N N 2.098 120.842 118.700 0.072 0.000 2.705 45 N HA -0.190 4.550 4.740 -0.000 0.000 0.255 45 N C -0.163 175.460 175.510 0.188 0.000 1.008 45 N CA 0.819 53.943 53.050 0.123 0.000 0.742 45 N CB -0.868 37.688 38.487 0.115 0.000 0.906 45 N HN 0.933 nan 8.380 nan 0.000 0.541 46 R N -2.498 118.063 120.500 0.101 0.000 2.817 46 R HA 0.773 5.113 4.340 -0.000 0.000 0.268 46 R C -1.349 174.970 176.300 0.033 0.000 1.027 46 R CA -0.920 55.231 56.100 0.085 0.000 0.928 46 R CB 1.134 31.497 30.300 0.105 0.000 1.228 46 R HN -0.019 nan 8.270 nan 0.000 0.469 47 T N 1.267 115.856 114.554 0.058 0.000 2.949 47 T HA 0.309 4.659 4.350 -0.000 0.000 0.300 47 T C -0.693 173.995 174.700 -0.021 0.000 0.988 47 T CA -0.708 61.354 62.100 -0.064 0.000 0.993 47 T CB 1.522 70.291 68.868 -0.166 0.000 0.984 47 T HN 0.378 nan 8.240 nan 0.000 0.442 48 V N 4.158 124.015 119.914 -0.096 0.000 2.461 48 V HA 0.384 4.504 4.120 -0.000 0.000 0.275 48 V C -0.722 175.313 176.094 -0.099 0.000 1.047 48 V CA -0.645 61.649 62.300 -0.011 0.000 0.955 48 V CB -0.257 31.544 31.823 -0.036 0.000 0.988 48 V HN 0.737 nan 8.190 nan 0.000 0.471 49 Y N 1.943 122.315 120.300 0.120 0.000 2.387 49 Y HA 0.645 5.195 4.550 -0.001 0.000 0.336 49 Y C 0.680 176.641 175.900 0.102 0.000 1.067 49 Y CA -0.678 57.511 58.100 0.147 0.000 1.114 49 Y CB 2.097 40.711 38.460 0.257 0.000 1.208 49 Y HN 0.592 nan 8.280 nan 0.000 0.458 50 T N 4.728 119.429 114.554 0.245 0.000 2.879 50 T HA 0.678 5.028 4.350 -0.000 0.000 0.290 50 T C -1.306 173.520 174.700 0.209 0.000 0.993 50 T CA -0.717 61.439 62.100 0.092 0.000 0.975 50 T CB 0.476 69.350 68.868 0.010 0.000 0.981 50 T HN 0.460 nan 8.240 nan 0.000 0.439 51 F N 0.930 120.872 119.950 -0.013 0.000 2.678 51 F HA 0.819 5.346 4.527 -0.000 0.000 0.308 51 F C -0.899 174.885 175.800 -0.027 0.000 1.118 51 F CA -1.476 56.519 58.000 -0.009 0.000 0.959 51 F CB 0.631 39.629 39.000 -0.004 0.000 1.305 51 F HN 0.522 nan 8.300 nan 0.000 0.443 52 V N -0.159 119.835 119.914 0.134 0.000 3.229 52 V HA 1.138 5.258 4.120 -0.000 0.000 0.310 52 V C 0.011 176.196 176.094 0.151 0.000 1.206 52 V CA -0.420 61.910 62.300 0.051 0.000 1.051 52 V CB 0.918 32.776 31.823 0.058 0.000 1.183 52 V HN 2.196 nan 8.190 nan 0.000 0.466 53 G N -0.214 108.648 108.800 0.103 0.000 2.357 53 G HA2 0.273 4.233 3.960 -0.000 0.000 0.289 53 G HA3 0.273 4.233 3.960 -0.000 0.000 0.289 53 G C -1.400 173.558 174.900 0.096 0.000 1.302 53 G CA -0.653 44.514 45.100 0.112 0.000 0.936 53 G HN 0.998 nan 8.290 nan 0.000 0.513 54 Q N 1.073 120.927 119.800 0.090 0.000 2.364 54 Q HA 0.376 4.716 4.340 -0.000 0.000 0.267 54 Q C -1.107 174.951 176.000 0.096 0.000 0.999 54 Q CA -0.518 55.333 55.803 0.080 0.000 0.886 54 Q CB 1.078 29.855 28.738 0.066 0.000 1.243 54 Q HN 0.235 nan 8.270 nan 0.000 0.415 55 P HA -0.365 nan 4.420 nan 0.000 0.224 55 P C 0.638 177.997 177.300 0.097 0.000 1.130 55 P CA 2.066 65.219 63.100 0.089 0.000 0.976 55 P CB 0.115 31.850 31.700 0.059 0.000 0.781 56 E N -1.124 119.123 120.200 0.078 0.000 2.170 56 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 56 E C 2.085 178.744 176.600 0.097 0.000 0.981 56 E CA 1.063 57.509 56.400 0.076 0.000 0.830 56 E CB -1.413 28.319 29.700 0.053 0.000 0.775 56 E HN 0.256 nan 8.360 nan 0.000 0.470 57 C N 1.998 121.357 119.300 0.098 0.000 2.432 57 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 57 C C 3.007 178.085 174.990 0.147 0.000 1.249 57 C CA 1.092 60.170 59.018 0.101 0.000 1.725 57 C CB -1.239 26.556 27.740 0.091 0.000 2.028 57 C HN 0.480 nan 8.230 nan 0.000 0.477 58 V N 0.390 120.429 119.914 0.208 0.000 2.332 58 V HA -0.173 3.946 4.120 -0.000 0.000 0.248 58 V C 2.225 178.530 176.094 0.351 0.000 1.055 58 V CA 2.310 64.821 62.300 0.351 0.000 1.038 58 V CB -1.462 30.529 31.823 0.281 0.000 0.651 58 V HN 0.390 nan 8.190 nan 0.000 0.450 59 V N 0.461 120.553 119.914 0.298 0.000 2.324 59 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 59 V C 2.927 179.148 176.094 0.211 0.000 1.060 59 V CA 2.365 64.830 62.300 0.274 0.000 1.042 59 V CB -0.871 31.058 31.823 0.176 0.000 0.650 59 V HN 0.599 nan 8.190 nan 0.000 0.450 60 E N 0.649 120.940 120.200 0.152 0.000 2.013 60 E HA -0.242 4.108 4.350 -0.000 0.000 0.202 60 E C 2.389 179.031 176.600 0.069 0.000 1.018 60 E CA 1.829 58.291 56.400 0.104 0.000 0.834 60 E CB -1.022 28.715 29.700 0.063 0.000 0.770 60 E HN 0.597 nan 8.360 nan 0.000 0.459 61 G N 1.385 110.185 108.800 -0.001 0.000 2.505 61 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.220 61 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.220 61 G C 1.752 176.585 174.900 -0.112 0.000 1.145 61 G CA 2.089 47.073 45.100 -0.192 0.000 0.761 61 G HN 0.411 nan 8.290 nan 0.000 0.571 62 A N 0.980 123.847 122.820 0.079 0.000 1.849 62 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 62 A C 2.366 180.006 177.584 0.093 0.000 1.202 62 A CA 2.373 54.376 52.037 -0.057 0.000 0.629 62 A CB -0.602 18.160 19.000 -0.398 0.000 0.834 62 A HN 0.726 nan 8.150 nan 0.000 0.447 63 L N -1.684 119.752 121.223 0.355 0.000 2.341 63 L HA 0.183 4.523 4.340 -0.000 0.000 0.214 63 L C 2.208 179.230 176.870 0.255 0.000 1.115 63 L CA 1.791 56.953 54.840 0.536 0.000 0.820 63 L CB -1.168 41.188 42.059 0.496 0.000 0.944 63 L HN 0.242 nan 8.230 nan 0.000 0.452 64 S N 0.357 116.141 115.700 0.140 0.000 2.423 64 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 64 S C 2.076 176.704 174.600 0.046 0.000 1.014 64 S CA 1.059 59.295 58.200 0.060 0.000 0.965 64 S CB -0.185 63.012 63.200 -0.005 0.000 0.785 64 S HN 0.581 nan 8.310 nan 0.000 0.495 65 A N 0.425 123.287 122.820 0.071 0.000 2.021 65 A HA 0.551 4.870 4.320 -0.000 0.000 0.216 65 A C 2.276 180.017 177.584 0.262 0.000 1.163 65 A CA 1.095 53.172 52.037 0.067 0.000 0.676 65 A CB -0.829 18.203 19.000 0.053 0.000 0.818 65 A HN 0.658 nan 8.150 nan 0.000 0.453 66 A N 0.971 124.027 122.820 0.393 0.000 1.970 66 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 66 A C 2.144 179.972 177.584 0.406 0.000 1.170 66 A CA 1.191 53.546 52.037 0.530 0.000 0.645 66 A CB -0.396 18.940 19.000 0.560 0.000 0.816 66 A HN 0.649 nan 8.150 nan 0.000 0.447 67 R N -1.143 119.501 120.500 0.240 0.000 2.276 67 R HA 0.044 4.384 4.340 -0.000 0.000 0.203 67 R C 1.091 177.462 176.300 0.118 0.000 1.017 67 R CA 1.563 57.760 56.100 0.160 0.000 1.010 67 R CB -0.674 29.684 30.300 0.097 0.000 0.900 67 R HN 0.258 nan 8.270 nan 0.000 0.469 68 T N 0.464 115.068 114.554 0.084 0.000 3.031 68 T HA 0.212 4.562 4.350 -0.000 0.000 0.254 68 T C 1.920 176.613 174.700 -0.012 0.000 1.060 68 T CA 0.680 62.785 62.100 0.009 0.000 1.135 68 T CB 0.341 69.177 68.868 -0.054 0.000 0.896 68 T HN 0.398 nan 8.240 nan 0.000 0.472 69 A N 2.026 124.845 122.820 -0.002 0.000 2.016 69 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 69 A C 2.504 180.142 177.584 0.089 0.000 1.162 69 A CA 1.616 53.630 52.037 -0.038 0.000 0.662 69 A CB -0.811 18.147 19.000 -0.070 0.000 0.812 69 A HN 0.529 nan 8.150 nan 0.000 0.450 70 S N -0.093 115.788 115.700 0.301 0.000 2.369 70 S HA -0.230 4.240 4.470 -0.000 0.000 0.225 70 S C 1.264 176.002 174.600 0.230 0.000 1.043 70 S CA 1.581 60.060 58.200 0.466 0.000 1.074 70 S CB -0.484 62.960 63.200 0.406 0.000 0.962 70 S HN 0.487 nan 8.310 nan 0.000 0.433 71 Q N 0.716 120.597 119.800 0.135 0.000 2.412 71 Q HA 0.498 4.838 4.340 -0.000 0.000 0.298 71 Q C 0.338 176.360 176.000 0.038 0.000 0.938 71 Q CA 0.117 55.967 55.803 0.079 0.000 0.968 71 Q CB 0.282 29.055 28.738 0.058 0.000 1.187 71 Q HN 0.649 nan 8.270 nan 0.000 0.421 72 L N -1.062 120.175 121.223 0.024 0.000 3.927 72 L HA 0.352 4.692 4.340 -0.000 0.000 0.374 72 L C -0.304 176.546 176.870 -0.034 0.000 1.168 72 L CA 0.236 55.066 54.840 -0.015 0.000 1.318 72 L CB 1.124 43.155 42.059 -0.047 0.000 1.640 72 L HN 0.095 nan 8.230 nan 0.000 0.634 73 I N 0.204 120.751 120.570 -0.037 0.000 2.512 73 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 73 I C -0.988 175.101 176.117 -0.047 0.000 1.069 73 I CA -0.523 60.735 61.300 -0.071 0.000 1.056 73 I CB 2.135 40.044 38.000 -0.152 0.000 1.229 73 I HN -0.061 nan 8.210 nan 0.000 0.429 77 K N 1.450 121.881 120.400 0.052 0.000 2.500 77 K HA 0.160 4.480 4.320 -0.000 0.000 0.206 77 K C -0.634 175.989 176.600 0.038 0.000 1.034 77 K CA -0.042 56.267 56.287 0.037 0.000 1.179 77 K CB 0.343 32.861 32.500 0.030 0.000 0.884 77 K HN 0.104 nan 8.250 nan 0.000 0.493 78 H N 0.633 119.648 119.070 -0.092 0.000 2.457 78 H HA 0.327 4.883 4.556 -0.001 0.000 0.335 78 H C -1.203 174.069 175.328 -0.093 0.000 1.115 78 H CA -0.313 55.665 56.048 -0.116 0.000 1.219 78 H CB 0.922 30.569 29.762 -0.192 0.000 1.471 78 H HN -0.216 nan 8.280 nan 0.000 0.491 79 K N 3.925 123.832 120.400 -0.822 0.000 2.767 79 K HA 0.321 4.641 4.320 -0.000 0.000 0.286 79 K C -1.030 175.270 176.600 -0.499 0.000 1.177 79 K CA -0.225 55.736 56.287 -0.543 0.000 1.078 79 K CB 1.177 33.555 32.500 -0.204 0.000 1.358 79 K HN 0.834 nan 8.250 nan 0.000 0.531 80 G N 0.847 109.325 108.800 -0.536 0.000 2.461 80 G HA2 0.223 4.183 3.960 -0.000 0.000 0.329 80 G HA3 0.223 4.183 3.960 -0.000 0.000 0.329 80 G C -0.228 174.647 174.900 -0.040 0.000 1.170 80 G CA -0.544 44.453 45.100 -0.172 0.000 0.935 80 G HN 0.511 nan 8.290 nan 0.000 0.492 81 E N -0.109 120.102 120.200 0.019 0.000 2.330 81 E HA 0.077 4.427 4.350 -0.000 0.000 0.210 81 E C -0.592 176.089 176.600 0.135 0.000 1.256 81 E CA 0.071 56.502 56.400 0.051 0.000 1.346 81 E CB -0.063 29.662 29.700 0.042 0.000 1.308 81 E HN 0.439 nan 8.360 nan 0.000 0.441 82 H N -0.657 118.420 119.070 0.011 0.000 2.877 82 H HA 0.222 4.778 4.556 -0.000 0.000 0.347 82 H C -2.606 172.739 175.328 0.028 0.000 1.042 82 H CA -2.548 53.511 56.048 0.019 0.000 1.276 82 H CB 1.335 31.110 29.762 0.022 0.000 1.681 82 H HN -0.152 nan 8.280 nan 0.000 0.521 83 P HA -0.110 nan 4.420 nan 0.000 0.188 83 P C -0.010 177.131 177.300 -0.265 0.000 1.353 83 P CA 0.202 63.121 63.100 -0.301 0.000 1.027 83 P CB -0.460 31.053 31.700 -0.311 0.000 1.709 87 A N -1.188 121.228 122.820 -0.673 0.000 2.030 87 A HA 0.585 4.905 4.320 -0.000 0.000 0.215 87 A C 0.892 178.234 177.584 -0.404 0.000 1.164 87 A CA 0.831 52.471 52.037 -0.662 0.000 0.697 87 A CB -0.150 18.252 19.000 -0.998 0.000 0.827 87 A HN 0.672 nan 8.150 nan 0.000 0.457 88 L N 1.012 121.989 121.223 -0.410 0.000 2.366 88 L HA 0.273 4.613 4.340 -0.000 0.000 0.266 88 L C -0.196 176.614 176.870 -0.100 0.000 1.010 88 L CA -0.507 54.148 54.840 -0.309 0.000 0.879 88 L CB 1.010 42.939 42.059 -0.218 0.000 1.228 88 L HN 0.281 nan 8.230 nan 0.000 0.439 89 D N 1.103 121.444 120.400 -0.099 0.000 1.802 89 D HA -0.052 4.588 4.640 -0.000 0.000 0.271 89 D C 0.230 176.533 176.300 0.006 0.000 1.069 89 D CA 0.494 54.480 54.000 -0.023 0.000 0.950 89 D CB 0.473 41.254 40.800 -0.032 0.000 1.260 89 D HN 0.273 nan 8.370 nan 0.000 0.448 90 V N 0.131 120.036 119.914 -0.015 0.000 2.694 90 V HA 0.031 4.151 4.120 -0.000 0.000 0.306 90 V C -0.194 175.938 176.094 0.063 0.000 1.054 90 V CA -0.282 62.030 62.300 0.020 0.000 1.161 90 V CB 0.603 32.360 31.823 -0.111 0.000 0.916 90 V HN 0.523 nan 8.190 nan 0.000 0.490 91 C N 9.605 129.019 119.300 0.191 0.000 2.653 91 C HA 0.723 5.183 4.460 -0.000 0.000 0.291 91 C C -2.443 172.693 174.990 0.243 0.000 1.064 91 C CA -1.362 57.730 59.018 0.124 0.000 1.469 91 C CB 0.517 28.361 27.740 0.174 0.000 1.861 91 C HN 0.995 nan 8.230 nan 0.000 0.434 92 P HA 0.583 nan 4.420 nan 0.000 0.283 92 P C -1.238 175.990 177.300 -0.120 0.000 1.271 92 P CA -0.484 62.727 63.100 0.185 0.000 0.841 92 P CB 1.199 33.002 31.700 0.171 0.000 1.122 93 F N 1.295 121.193 119.950 -0.087 0.000 2.553 93 F HA 0.409 4.936 4.527 0.000 0.000 0.335 93 F C 0.300 176.052 175.800 -0.080 0.000 1.148 93 F CA -0.682 57.252 58.000 -0.109 0.000 0.963 93 F CB 1.134 40.084 39.000 -0.083 0.000 1.217 93 F HN 0.072 nan 8.300 nan 0.000 0.441 94 I N 2.187 122.767 120.570 0.016 0.000 2.603 94 I HA 0.624 4.794 4.170 -0.000 0.000 0.300 94 I C -2.761 173.411 176.117 0.091 0.000 1.017 94 I CA -2.566 58.760 61.300 0.043 0.000 1.098 94 I CB 2.016 40.008 38.000 -0.013 0.000 1.279 94 I HN 0.169 nan 8.210 nan 0.000 0.437 95 P HA 0.248 nan 4.420 nan 0.000 0.277 95 P C 0.077 177.495 177.300 0.197 0.000 1.240 95 P CA -0.202 62.978 63.100 0.134 0.000 0.798 95 P CB 2.401 34.167 31.700 0.110 0.000 0.979 96 V N 1.310 121.315 119.914 0.152 0.000 3.102 96 V HA 0.199 4.318 4.120 -0.000 0.000 0.225 96 V C 0.803 176.955 176.094 0.096 0.000 1.301 96 V CA 0.852 63.239 62.300 0.145 0.000 1.308 96 V CB -0.104 31.796 31.823 0.129 0.000 1.129 96 V HN 0.658 nan 8.190 nan 0.000 0.502 97 R N -0.922 119.627 120.500 0.081 0.000 2.668 97 R HA 0.672 5.012 4.340 -0.000 0.000 0.272 97 R C 0.659 176.993 176.300 0.056 0.000 1.019 97 R CA 0.167 56.306 56.100 0.065 0.000 0.894 97 R CB 1.588 31.919 30.300 0.053 0.000 1.228 97 R HN 0.437 nan 8.270 nan 0.000 0.460 98 G N 1.123 109.951 108.800 0.048 0.000 3.078 98 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.227 98 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.227 98 G C 0.115 175.039 174.900 0.039 0.000 1.306 98 G CA 0.318 45.441 45.100 0.039 0.000 0.841 98 G HN 0.868 nan 8.290 nan 0.000 0.530 99 V N 2.233 122.175 119.914 0.047 0.000 2.572 99 V HA 0.617 4.737 4.120 -0.000 0.000 0.291 99 V C 0.871 176.992 176.094 0.044 0.000 1.039 99 V CA 1.003 63.331 62.300 0.046 0.000 1.055 99 V CB 1.343 33.200 31.823 0.056 0.000 0.969 99 V HN 1.116 nan 8.190 nan 0.000 0.482 103 E N 0.706 120.913 120.200 0.011 0.000 2.028 103 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 103 E C 1.918 178.522 176.600 0.006 0.000 0.988 103 E CA 1.366 57.773 56.400 0.012 0.000 0.799 103 E CB 0.122 29.835 29.700 0.023 0.000 0.755 103 E HN 0.206 nan 8.360 nan 0.000 0.447 104 C N 0.493 119.806 119.300 0.021 0.000 2.403 104 C HA -0.110 4.350 4.460 -0.000 0.000 0.279 104 C C 2.648 177.629 174.990 -0.016 0.000 1.269 104 C CA 0.315 59.352 59.018 0.031 0.000 1.774 104 C CB -0.856 26.920 27.740 0.060 0.000 1.993 104 C HN 0.267 nan 8.230 nan 0.000 0.496 105 V N 0.411 120.313 119.914 -0.020 0.000 2.427 105 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 105 V C 2.397 178.463 176.094 -0.047 0.000 1.051 105 V CA 1.422 63.702 62.300 -0.034 0.000 1.048 105 V CB -0.557 31.255 31.823 -0.017 0.000 0.666 105 V HN 0.472 nan 8.190 nan 0.000 0.456 106 L N -0.601 120.599 121.223 -0.040 0.000 2.240 106 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 106 L C 2.470 179.284 176.870 -0.093 0.000 1.106 106 L CA 1.493 56.308 54.840 -0.043 0.000 0.793 106 L CB -1.158 40.890 42.059 -0.018 0.000 0.927 106 L HN 0.476 nan 8.230 nan 0.000 0.446 107 C N -0.359 118.857 119.300 -0.139 0.000 2.446 107 C HA -0.074 4.386 4.460 -0.000 0.000 0.277 107 C C 3.015 177.705 174.990 -0.500 0.000 1.275 107 C CA 0.549 59.406 59.018 -0.269 0.000 1.727 107 C CB -1.159 26.426 27.740 -0.259 0.000 2.010 107 C HN 0.579 nan 8.230 nan 0.000 0.486 108 A N 0.985 123.529 122.820 -0.459 0.000 1.940 108 A HA -0.178 4.141 4.320 -0.000 0.000 0.219 108 A C 2.158 179.600 177.584 -0.237 0.000 1.176 108 A CA 1.609 53.409 52.037 -0.395 0.000 0.631 108 A CB -0.362 18.531 19.000 -0.178 0.000 0.814 108 A HN 0.565 nan 8.150 nan 0.000 0.446 109 K N -0.071 120.244 120.400 -0.141 0.000 2.097 109 K HA -0.048 4.271 4.320 -0.000 0.000 0.206 109 K C 2.233 178.729 176.600 -0.174 0.000 1.049 109 K CA 1.284 57.536 56.287 -0.058 0.000 0.933 109 K CB -0.672 31.851 32.500 0.038 0.000 0.717 109 K HN 0.480 nan 8.250 nan 0.000 0.442 110 A N 1.137 123.857 122.820 -0.166 0.000 1.832 110 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 110 A C 2.100 179.583 177.584 -0.168 0.000 1.204 110 A CA 1.017 52.973 52.037 -0.134 0.000 0.606 110 A CB -0.879 18.075 19.000 -0.077 0.000 0.849 110 A HN 0.233 nan 8.150 nan 0.000 0.445 111 F N 1.479 121.234 119.950 -0.326 0.000 2.063 111 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 111 F C 2.360 177.967 175.800 -0.321 0.000 1.109 111 F CA 1.663 59.513 58.000 -0.251 0.000 1.212 111 F CB -0.967 37.893 39.000 -0.234 0.000 0.973 111 F HN 0.201 nan 8.300 nan 0.000 0.480 112 G N -0.684 107.757 108.800 -0.599 0.000 2.513 112 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.219 112 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.219 112 G C 1.555 175.676 174.900 -1.298 0.000 1.160 112 G CA 1.008 45.521 45.100 -0.978 0.000 0.767 112 G HN 0.514 nan 8.290 nan 0.000 0.571 113 Q N -0.244 118.797 119.800 -1.265 0.000 1.916 113 Q HA -0.018 4.321 4.340 -0.000 0.000 0.203 113 Q C 2.769 178.583 176.000 -0.311 0.000 0.983 113 Q CA 0.922 56.369 55.803 -0.593 0.000 0.846 113 Q CB -0.127 28.541 28.738 -0.116 0.000 0.909 113 Q HN 0.367 nan 8.270 nan 0.000 0.427 114 R N 0.082 120.435 120.500 -0.246 0.000 2.226 114 R HA -0.201 4.139 4.340 -0.000 0.000 0.246 114 R C 2.233 178.404 176.300 -0.214 0.000 1.161 114 R CA 1.183 57.188 56.100 -0.160 0.000 0.997 114 R CB -0.292 29.959 30.300 -0.081 0.000 0.870 114 R HN 0.304 nan 8.270 nan 0.000 0.465 115 L N -0.210 120.778 121.223 -0.391 0.000 2.022 115 L HA 0.059 4.399 4.340 -0.000 0.000 0.204 115 L C 2.149 178.808 176.870 -0.352 0.000 1.076 115 L CA 1.899 56.470 54.840 -0.449 0.000 0.749 115 L CB -0.718 40.826 42.059 -0.857 0.000 0.903 115 L HN 0.055 nan 8.230 nan 0.000 0.439 116 A N -0.691 121.918 122.820 -0.352 0.000 2.131 116 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 116 A C 2.033 179.512 177.584 -0.175 0.000 1.158 116 A CA 1.694 53.576 52.037 -0.258 0.000 0.665 116 A CB -0.590 18.308 19.000 -0.170 0.000 0.795 116 A HN 0.647 nan 8.150 nan 0.000 0.460 117 E N 0.030 120.141 120.200 -0.148 0.000 2.021 117 E HA -0.120 4.230 4.350 -0.000 0.000 0.189 117 E C 1.587 178.127 176.600 -0.101 0.000 0.980 117 E CA 1.038 57.381 56.400 -0.095 0.000 0.803 117 E CB -0.495 29.165 29.700 -0.068 0.000 0.766 117 E HN 0.756 nan 8.360 nan 0.000 0.449 118 E N 0.231 120.363 120.200 -0.114 0.000 2.516 118 E HA -0.003 4.347 4.350 -0.000 0.000 0.199 118 E C 1.753 178.286 176.600 -0.112 0.000 1.069 118 E CA 0.181 56.527 56.400 -0.090 0.000 0.876 118 E CB 0.250 29.910 29.700 -0.067 0.000 0.843 118 E HN 0.141 nan 8.360 nan 0.000 0.530 119 L N -0.572 120.547 121.223 -0.174 0.000 2.586 119 L HA 0.140 4.479 4.340 -0.000 0.000 0.204 119 L C 0.284 177.036 176.870 -0.196 0.000 1.053 119 L CA -0.084 54.623 54.840 -0.222 0.000 0.856 119 L CB 0.653 42.461 42.059 -0.418 0.000 1.192 119 L HN -0.018 nan 8.230 nan 0.000 0.484 120 N N 1.083 119.663 118.700 -0.200 0.000 2.682 120 N HA -0.113 4.627 4.740 -0.000 0.000 0.269 120 N C -1.199 174.183 175.510 -0.212 0.000 1.193 120 N CA 0.746 53.701 53.050 -0.158 0.000 0.660 120 N CB -0.579 37.853 38.487 -0.092 0.000 0.905 120 N HN 0.149 nan 8.380 nan 0.000 0.558 121 V N -0.559 119.191 119.914 -0.272 0.000 3.120 121 V HA 0.761 4.880 4.120 -0.000 0.000 0.303 121 V C -2.667 173.271 176.094 -0.259 0.000 1.238 121 V CA -1.872 60.235 62.300 -0.322 0.000 1.008 121 V CB 2.154 33.565 31.823 -0.687 0.000 1.064 121 V HN 0.070 nan 8.190 nan 0.000 0.434 122 P HA 0.418 nan 4.420 nan 0.000 0.276 122 P C -0.824 176.186 177.300 -0.483 0.000 1.253 122 P CA 0.070 62.984 63.100 -0.310 0.000 0.766 122 P CB 1.265 32.821 31.700 -0.240 0.000 0.845 123 V N 6.236 125.842 119.914 -0.514 0.000 2.577 123 V HA 0.561 4.681 4.120 -0.000 0.000 0.303 123 V C -1.730 174.139 176.094 -0.374 0.000 1.042 123 V CA -0.767 61.259 62.300 -0.457 0.000 0.872 123 V CB 0.826 32.517 31.823 -0.220 0.000 0.998 123 V HN 0.323 nan 8.190 nan 0.000 0.423 124 Y N 6.303 126.707 120.300 0.173 0.000 2.364 124 Y HA 0.666 5.215 4.550 -0.000 0.000 0.340 124 Y C 0.228 176.274 175.900 0.243 0.000 0.975 124 Y CA -1.452 56.777 58.100 0.215 0.000 1.089 124 Y CB 1.272 39.853 38.460 0.202 0.000 1.192 124 Y HN 0.776 nan 8.280 nan 0.000 0.454 125 L N 2.670 124.132 121.223 0.399 0.000 2.371 125 L HA 0.671 5.010 4.340 -0.000 0.000 0.272 125 L C -0.745 176.321 176.870 0.327 0.000 1.124 125 L CA -0.784 54.249 54.840 0.322 0.000 0.816 125 L CB 0.663 42.870 42.059 0.247 0.000 1.129 125 L HN 0.804 nan 8.230 nan 0.000 0.448 126 Y N 2.028 122.432 120.300 0.173 0.000 2.686 126 Y HA 0.900 5.450 4.550 -0.000 0.000 0.330 126 Y C 0.615 176.578 175.900 0.106 0.000 1.082 126 Y CA -0.182 57.999 58.100 0.136 0.000 1.158 126 Y CB 0.792 39.331 38.460 0.130 0.000 1.333 126 Y HN 1.103 nan 8.280 nan 0.000 0.519 127 G N 1.142 109.893 108.800 -0.082 0.000 2.552 127 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.265 127 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.265 127 G C 0.435 175.257 174.900 -0.130 0.000 1.234 127 G CA 0.371 45.337 45.100 -0.223 0.000 0.944 127 G HN 0.815 nan 8.290 nan 0.000 0.568 128 E N 0.996 121.112 120.200 -0.139 0.000 2.501 128 E HA 0.024 4.374 4.350 -0.000 0.000 0.203 128 E C 2.054 178.618 176.600 -0.060 0.000 1.072 128 E CA 1.441 57.799 56.400 -0.071 0.000 0.885 128 E CB -0.438 29.227 29.700 -0.058 0.000 0.813 128 E HN 0.777 nan 8.360 nan 0.000 0.556 129 A N 1.431 124.200 122.820 -0.084 0.000 2.383 129 A HA 0.457 4.777 4.320 -0.000 0.000 0.225 129 A C 1.033 178.628 177.584 0.019 0.000 1.946 129 A CA 0.393 52.411 52.037 -0.030 0.000 0.739 129 A CB -0.824 18.153 19.000 -0.038 0.000 1.405 129 A HN 0.193 nan 8.150 nan 0.000 0.548 130 A N 0.140 122.994 122.820 0.057 0.000 2.583 130 A HA 0.071 4.391 4.320 -0.000 0.000 0.254 130 A C 0.269 177.885 177.584 0.054 0.000 0.960 130 A CA 0.952 53.044 52.037 0.092 0.000 0.904 130 A CB -0.494 18.584 19.000 0.129 0.000 0.827 130 A HN 0.622 nan 8.150 nan 0.000 0.450 134 S N -1.463 114.231 115.700 -0.009 0.000 2.684 134 S HA 0.219 4.689 4.470 -0.000 0.000 0.268 134 S C 1.305 175.922 174.600 0.027 0.000 1.075 134 S CA -0.495 57.693 58.200 -0.021 0.000 1.184 134 S CB 0.513 63.653 63.200 -0.100 0.000 1.129 134 S HN 0.069 nan 8.310 nan 0.000 0.630 135 R N 1.419 121.956 120.500 0.062 0.000 2.365 135 R HA 0.188 4.528 4.340 -0.000 0.000 0.223 135 R C 2.063 178.471 176.300 0.181 0.000 0.899 135 R CA 0.528 56.705 56.100 0.129 0.000 1.059 135 R CB 0.059 30.445 30.300 0.143 0.000 1.086 135 R HN 0.645 nan 8.270 nan 0.000 0.522 136 Q N 0.191 120.077 119.800 0.143 0.000 2.167 136 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 136 Q C 0.748 176.882 176.000 0.223 0.000 0.970 136 Q CA 1.234 57.138 55.803 0.168 0.000 0.855 136 Q CB -0.281 28.513 28.738 0.094 0.000 0.911 136 Q HN -0.079 nan 8.270 nan 0.000 0.438 137 T N 0.605 115.250 114.554 0.152 0.000 2.737 137 T HA 0.189 4.539 4.350 -0.000 0.000 0.296 137 T C 0.771 175.526 174.700 0.092 0.000 0.922 137 T CA -0.589 61.583 62.100 0.120 0.000 1.079 137 T CB 0.789 69.703 68.868 0.076 0.000 0.892 137 T HN 0.359 nan 8.240 nan 0.000 0.514 138 L N 7.879 129.115 121.223 0.022 0.000 2.017 138 L HA 0.184 4.524 4.340 -0.000 0.000 0.208 138 L C -0.674 176.131 176.870 -0.108 0.000 1.073 138 L CA 1.632 56.368 54.840 -0.173 0.000 0.745 138 L CB -1.124 40.676 42.059 -0.431 0.000 0.894 138 L HN 0.510 nan 8.230 nan 0.000 0.432 139 P HA -0.164 nan 4.420 nan 0.000 0.219 139 P C 1.381 178.667 177.300 -0.024 0.000 1.146 139 P CA 1.864 64.934 63.100 -0.049 0.000 0.808 139 P CB -0.208 31.478 31.700 -0.023 0.000 0.779 140 A N -0.291 122.542 122.820 0.021 0.000 1.898 140 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 140 A C 2.282 179.925 177.584 0.098 0.000 1.181 140 A CA 1.135 53.223 52.037 0.085 0.000 0.620 140 A CB -1.477 17.597 19.000 0.124 0.000 0.819 140 A HN 0.110 nan 8.150 nan 0.000 0.442 141 I N -0.465 120.124 120.570 0.031 0.000 2.226 141 I HA -0.155 4.014 4.170 -0.000 0.000 0.245 141 I C 1.537 177.450 176.117 -0.340 0.000 1.100 141 I CA 0.817 62.029 61.300 -0.146 0.000 1.374 141 I CB -0.117 37.807 38.000 -0.127 0.000 1.057 141 I HN 0.153 nan 8.210 nan 0.000 0.413 142 R N 1.520 121.898 120.500 -0.202 0.000 4.885 142 R HA -0.007 4.333 4.340 -0.000 0.000 0.170 142 R C 0.619 176.796 176.300 -0.205 0.000 2.294 142 R CA 0.180 56.170 56.100 -0.183 0.000 1.799 142 R CB -0.699 29.522 30.300 -0.131 0.000 1.269 142 R HN 0.284 nan 8.270 nan 0.000 0.786 143 A N 1.119 123.731 122.820 -0.347 0.000 3.078 143 A HA 0.144 4.464 4.320 -0.000 0.000 0.258 143 A C 1.274 178.739 177.584 -0.198 0.000 1.971 143 A CA 0.726 52.565 52.037 -0.330 0.000 1.524 143 A CB -0.784 17.810 19.000 -0.676 0.000 0.871 143 A HN 0.695 nan 8.150 nan 0.000 0.609 144 G N 0.293 109.020 108.800 -0.123 0.000 2.171 144 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.238 144 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.238 144 G C 0.113 174.978 174.900 -0.058 0.000 1.039 144 G CA 0.714 45.769 45.100 -0.075 0.000 0.759 144 G HN 2.074 nan 8.290 nan 0.000 0.501 145 E N -3.369 116.793 120.200 -0.063 0.000 3.562 145 E HA -0.484 3.866 4.350 -0.000 0.000 0.277 145 E C 0.981 177.626 176.600 0.074 0.000 1.503 145 E CA 1.178 57.578 56.400 -0.000 0.000 2.178 145 E CB -1.125 28.587 29.700 0.021 0.000 2.019 145 E HN 1.171 nan 8.360 nan 0.000 0.466 146 Y N 1.963 122.266 120.300 0.005 0.000 1.997 146 Y HA -0.213 4.337 4.550 0.000 0.000 0.265 146 Y C 0.912 176.860 175.900 0.081 0.000 1.193 146 Y CA 2.620 60.755 58.100 0.059 0.000 1.106 146 Y CB -0.698 37.819 38.460 0.095 0.000 0.940 146 Y HN 0.488 nan 8.280 nan 0.000 0.494 147 E N 0.044 120.196 120.200 -0.081 0.000 1.791 147 E HA 0.413 4.763 4.350 -0.000 0.000 0.263 147 E C 0.408 176.956 176.600 -0.087 0.000 1.213 147 E CA 0.553 56.866 56.400 -0.144 0.000 0.991 147 E CB 0.218 29.868 29.700 -0.084 0.000 1.068 147 E HN 0.431 nan 8.360 nan 0.000 0.417 148 A N 2.026 124.774 122.820 -0.119 0.000 1.621 148 A HA 0.110 4.430 4.320 -0.000 0.000 0.212 148 A C 1.432 178.897 177.584 -0.199 0.000 1.760 148 A CA -0.293 51.649 52.037 -0.158 0.000 1.251 148 A CB -0.396 18.476 19.000 -0.213 0.000 1.168 148 A HN 0.426 nan 8.150 nan 0.000 0.463 149 L N 1.179 122.204 121.223 -0.330 0.000 2.197 149 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 149 L C -0.873 175.780 176.870 -0.361 0.000 1.095 149 L CA 1.593 56.087 54.840 -0.578 0.000 0.764 149 L CB -1.118 40.211 42.059 -1.217 0.000 0.897 149 L HN 0.338 nan 8.230 nan 0.000 0.436 150 P HA -0.146 nan 4.420 nan 0.000 0.242 150 P C 0.454 177.817 177.300 0.105 0.000 1.198 150 P CA 1.386 64.662 63.100 0.293 0.000 0.756 150 P CB 0.018 31.862 31.700 0.241 0.000 0.911 151 E N -1.871 118.341 120.200 0.021 0.000 2.624 151 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 151 E C 1.448 178.055 176.600 0.012 0.000 0.961 151 E CA -0.394 56.020 56.400 0.024 0.000 1.632 151 E CB -0.423 29.292 29.700 0.024 0.000 2.082 151 E HN -0.055 nan 8.360 nan 0.000 1.040 152 K N 1.364 121.733 120.400 -0.053 0.000 2.262 152 K HA 0.147 4.467 4.320 -0.000 0.000 0.200 152 K C 1.794 178.407 176.600 0.023 0.000 1.049 152 K CA 0.904 57.160 56.287 -0.052 0.000 0.979 152 K CB 0.099 32.419 32.500 -0.299 0.000 0.773 152 K HN 0.196 nan 8.250 nan 0.000 0.474 153 L N -0.594 120.611 121.223 -0.030 0.000 2.660 153 L HA 0.195 4.535 4.340 -0.000 0.000 0.238 153 L C 0.801 177.709 176.870 0.064 0.000 1.161 153 L CA 0.608 55.469 54.840 0.036 0.000 0.937 153 L CB -0.226 41.802 42.059 -0.052 0.000 1.122 153 L HN -0.164 nan 8.230 nan 0.000 0.435 154 K N 0.995 121.440 120.400 0.075 0.000 3.253 154 K HA 0.364 4.684 4.320 -0.000 0.000 0.174 154 K C -0.892 175.762 176.600 0.090 0.000 1.071 154 K CA -0.146 56.185 56.287 0.074 0.000 0.836 154 K CB 0.424 32.960 32.500 0.060 0.000 0.922 154 K HN 0.378 nan 8.250 nan 0.000 0.565 155 Q N 0.176 120.051 119.800 0.124 0.000 2.263 155 Q HA 0.312 4.652 4.340 -0.000 0.000 0.266 155 Q C 0.306 176.359 176.000 0.088 0.000 1.002 155 Q CA -0.311 55.563 55.803 0.119 0.000 0.790 155 Q CB 2.008 30.860 28.738 0.189 0.000 1.272 155 Q HN 0.434 nan 8.270 nan 0.000 0.435 156 A N 2.377 125.221 122.820 0.040 0.000 2.054 156 A HA -0.300 4.020 4.320 -0.000 0.000 0.223 156 A C 1.712 179.281 177.584 -0.025 0.000 1.169 156 A CA 2.307 54.350 52.037 0.009 0.000 0.655 156 A CB -0.203 18.794 19.000 -0.005 0.000 0.812 156 A HN 0.880 nan 8.150 nan 0.000 0.462 157 E N -1.391 118.775 120.200 -0.057 0.000 2.008 157 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 157 E C 1.064 177.523 176.600 -0.235 0.000 0.986 157 E CA 0.925 57.203 56.400 -0.203 0.000 0.807 157 E CB -0.188 29.343 29.700 -0.282 0.000 0.766 157 E HN 0.795 nan 8.360 nan 0.000 0.450 158 W N 1.611 122.909 121.300 -0.003 0.000 3.433 158 W HA 0.190 4.850 4.660 0.000 0.000 0.376 158 W C -0.342 176.220 176.519 0.072 0.000 1.160 158 W CA -0.819 56.525 57.345 -0.001 0.000 1.832 158 W CB 0.381 29.826 29.460 -0.026 0.000 1.011 158 W HN -0.136 nan 8.180 nan 0.000 0.766 159 V N 3.382 123.428 119.914 0.220 0.000 2.539 159 V HA -0.083 4.036 4.120 -0.000 0.000 0.300 159 V C -1.532 174.727 176.094 0.275 0.000 1.019 159 V CA -1.110 61.302 62.300 0.186 0.000 1.160 159 V CB -0.185 31.687 31.823 0.081 0.000 0.901 159 V HN -0.134 nan 8.190 nan 0.000 0.481 160 P HA 0.148 nan 4.420 nan 0.000 0.268 160 P C 0.024 177.400 177.300 0.126 0.000 1.205 160 P CA -0.186 63.074 63.100 0.267 0.000 0.771 160 P CB 0.560 32.210 31.700 -0.082 0.000 0.858 161 D N 0.944 121.447 120.400 0.172 0.000 2.269 161 D HA 0.028 4.668 4.640 -0.000 0.000 0.208 161 D C 0.057 176.219 176.300 -0.231 0.000 0.963 161 D CA 1.439 55.453 54.000 0.022 0.000 0.864 161 D CB -0.199 40.696 40.800 0.158 0.000 0.936 161 D HN 0.318 nan 8.370 nan 0.000 0.505 162 F N -1.163 118.746 119.950 -0.068 0.000 2.626 162 F HA 0.534 5.061 4.527 0.000 0.000 0.311 162 F C 0.460 176.161 175.800 -0.165 0.000 1.088 162 F CA -0.750 57.184 58.000 -0.110 0.000 0.949 162 F CB 2.139 41.060 39.000 -0.131 0.000 1.322 162 F HN -0.050 nan 8.300 nan 0.000 0.461 163 G N 2.533 111.369 108.800 0.060 0.000 2.850 163 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.686 163 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.686 163 G C -2.518 172.348 174.900 -0.057 0.000 1.164 163 G CA -1.125 43.946 45.100 -0.048 0.000 0.826 163 G HN 0.470 nan 8.290 nan 0.000 0.586 164 P HA -0.109 nan 4.420 nan 0.000 0.225 164 P C 1.322 178.611 177.300 -0.018 0.000 0.928 164 P CA 2.261 65.343 63.100 -0.030 0.000 1.055 164 P CB 0.037 31.721 31.700 -0.026 0.000 0.635 165 S N -4.546 111.149 115.700 -0.009 0.000 2.708 165 S HA 0.094 4.563 4.470 -0.000 0.000 0.214 165 S C 0.148 174.758 174.600 0.016 0.000 0.820 165 S CA -0.294 57.912 58.200 0.010 0.000 1.439 165 S CB -0.356 62.861 63.200 0.028 0.000 1.275 165 S HN 0.189 nan 8.310 nan 0.000 0.588 166 S N 1.263 116.973 115.700 0.016 0.000 2.603 166 S HA 0.685 5.154 4.470 -0.000 0.000 0.268 166 S C -0.995 173.679 174.600 0.124 0.000 1.317 166 S CA 0.006 58.246 58.200 0.066 0.000 1.012 166 S CB 0.324 63.552 63.200 0.046 0.000 0.926 166 S HN 0.267 nan 8.310 nan 0.000 0.539 167 F N 3.411 123.374 119.950 0.023 0.000 2.458 167 F HA 0.600 5.127 4.527 -0.000 0.000 0.336 167 F C -0.666 175.168 175.800 0.058 0.000 1.114 167 F CA -1.394 56.633 58.000 0.044 0.000 0.987 167 F CB 1.249 40.269 39.000 0.035 0.000 1.130 167 F HN 0.252 nan 8.300 nan 0.000 0.458 168 V N 8.226 128.512 119.914 0.619 0.000 2.513 168 V HA 0.349 4.468 4.120 -0.000 0.000 0.299 168 V C -1.633 174.624 176.094 0.271 0.000 1.035 168 V CA -1.415 61.077 62.300 0.321 0.000 0.889 168 V CB 1.685 33.680 31.823 0.287 0.000 0.988 168 V HN 0.601 nan 8.190 nan 0.000 0.440 169 P HA -0.117 nan 4.420 nan 0.000 0.215 169 P C 1.014 178.437 177.300 0.205 0.000 1.157 169 P CA 1.580 64.709 63.100 0.048 0.000 0.868 169 P CB 0.171 31.882 31.700 0.018 0.000 0.788 170 S N -3.877 111.952 115.700 0.216 0.000 2.614 170 S HA 0.128 4.598 4.470 -0.000 0.000 0.230 170 S C 0.266 175.019 174.600 0.256 0.000 0.952 170 S CA -0.627 57.688 58.200 0.191 0.000 0.949 170 S CB -0.479 62.806 63.200 0.142 0.000 0.786 170 S HN 0.215 nan 8.310 nan 0.000 0.478 171 W N 0.172 121.583 121.300 0.185 0.000 3.029 171 W HA 0.605 5.265 4.660 -0.000 0.000 0.339 171 W C -0.559 176.150 176.519 0.317 0.000 1.198 171 W CA -0.823 56.631 57.345 0.181 0.000 1.148 171 W CB 1.931 31.471 29.460 0.134 0.000 1.451 171 W HN 0.045 nan 8.180 nan 0.000 0.564 172 G N 1.937 111.091 108.800 0.590 0.000 5.077 172 G HA2 0.530 4.489 3.960 -0.000 0.000 0.230 172 G HA3 0.530 4.489 3.960 -0.000 0.000 0.230 172 G C -0.258 174.873 174.900 0.385 0.000 0.924 172 G CA 0.448 45.842 45.100 0.489 0.000 0.770 172 G HN 1.316 nan 8.290 nan 0.000 0.512 173 A N -0.773 122.343 122.820 0.493 0.000 2.556 173 A HA 0.251 4.571 4.320 -0.000 0.000 0.682 173 A C 0.060 177.883 177.584 0.400 0.000 0.218 173 A CA 0.576 52.788 52.037 0.293 0.000 0.079 173 A CB -1.202 17.931 19.000 0.220 0.000 3.949 173 A HN 1.297 nan 8.150 nan 0.000 0.546 174 T N 0.037 114.741 114.554 0.249 0.000 2.923 174 T HA 0.671 5.021 4.350 -0.000 0.000 0.311 174 T C -0.462 174.363 174.700 0.209 0.000 1.183 174 T CA 0.113 62.374 62.100 0.269 0.000 1.020 174 T CB 1.677 70.757 68.868 0.353 0.000 1.165 174 T HN 2.169 nan 8.240 nan 0.000 0.482 175 V N 0.401 120.466 119.914 0.252 0.000 2.409 175 V HA 0.732 4.852 4.120 -0.000 0.000 0.290 175 V C 0.073 176.396 176.094 0.382 0.000 1.017 175 V CA -0.531 61.962 62.300 0.321 0.000 0.841 175 V CB 0.960 32.950 31.823 0.279 0.000 1.003 175 V HN 0.817 nan 8.190 nan 0.000 0.426 176 T N 3.746 118.531 114.554 0.385 0.000 2.824 176 T HA 0.899 5.249 4.350 -0.000 0.000 0.277 176 T C 0.469 175.412 174.700 0.405 0.000 0.975 176 T CA 0.609 62.974 62.100 0.441 0.000 0.966 176 T CB 1.381 70.456 68.868 0.345 0.000 1.054 176 T HN 1.634 nan 8.240 nan 0.000 0.533 177 G N -0.728 108.219 108.800 0.245 0.000 2.324 177 G HA2 0.548 4.507 3.960 -0.000 0.000 0.293 177 G HA3 0.548 4.507 3.960 -0.000 0.000 0.293 177 G C -2.079 172.769 174.900 -0.088 0.000 1.297 177 G CA -0.135 44.889 45.100 -0.127 0.000 0.853 177 G HN 0.893 nan 8.290 nan 0.000 0.535 178 A N -0.238 122.436 122.820 -0.242 0.000 2.427 178 A HA 0.937 5.257 4.320 -0.000 0.000 0.298 178 A C -0.065 177.424 177.584 -0.158 0.000 1.036 178 A CA -0.122 51.856 52.037 -0.099 0.000 0.701 178 A CB 1.396 20.380 19.000 -0.026 0.000 1.250 178 A HN 1.410 nan 8.150 nan 0.000 0.412 179 R N 0.720 121.176 120.500 -0.073 0.000 3.076 179 R HA 0.814 5.154 4.340 -0.000 0.000 0.239 179 R C -0.460 175.852 176.300 0.020 0.000 1.392 179 R CA -0.970 55.112 56.100 -0.030 0.000 1.044 179 R CB 0.599 30.910 30.300 0.019 0.000 1.389 179 R HN 0.412 nan 8.270 nan 0.000 0.498 180 K N 0.095 120.523 120.400 0.047 0.000 2.107 180 K HA 0.206 4.526 4.320 -0.000 0.000 0.251 180 K C -1.011 175.681 176.600 0.155 0.000 1.012 180 K CA -0.601 55.742 56.287 0.093 0.000 0.920 180 K CB 0.386 32.927 32.500 0.068 0.000 1.033 180 K HN 0.443 nan 8.250 nan 0.000 0.478 181 F N 3.197 123.211 119.950 0.107 0.000 2.529 181 F HA 0.256 4.783 4.527 -0.001 0.000 0.365 181 F C -0.544 175.346 175.800 0.150 0.000 1.102 181 F CA -0.331 57.751 58.000 0.136 0.000 1.271 181 F CB 0.315 39.442 39.000 0.211 0.000 1.120 181 F HN 0.378 nan 8.300 nan 0.000 0.579 182 L N 7.667 128.982 121.223 0.154 0.000 2.341 182 L HA 0.653 4.992 4.340 -0.000 0.000 0.278 182 L C -1.423 175.615 176.870 0.281 0.000 1.005 182 L CA -0.382 54.577 54.840 0.199 0.000 0.818 182 L CB 1.111 43.186 42.059 0.027 0.000 1.259 182 L HN 0.527 nan 8.230 nan 0.000 0.418 183 I N 4.599 125.344 120.570 0.291 0.000 2.441 183 I HA 0.607 4.777 4.170 -0.000 0.000 0.295 183 I C 0.150 176.361 176.117 0.158 0.000 0.994 183 I CA -0.884 60.552 61.300 0.227 0.000 1.144 183 I CB 1.948 40.015 38.000 0.111 0.000 1.314 183 I HN 0.796 nan 8.210 nan 0.000 0.445 184 A N 6.473 129.380 122.820 0.145 0.000 2.279 184 A HA 0.578 4.898 4.320 -0.000 0.000 0.306 184 A C -1.018 176.720 177.584 0.256 0.000 1.300 184 A CA -0.031 52.093 52.037 0.144 0.000 0.925 184 A CB -0.003 19.049 19.000 0.088 0.000 1.152 184 A HN 0.494 nan 8.150 nan 0.000 0.544 185 F N 3.187 123.160 119.950 0.038 0.000 2.529 185 F HA 0.515 5.042 4.527 -0.001 0.000 0.320 185 F C -0.864 174.965 175.800 0.048 0.000 1.118 185 F CA -1.673 56.353 58.000 0.045 0.000 0.915 185 F CB 1.945 40.974 39.000 0.048 0.000 1.161 185 F HN 0.538 nan 8.300 nan 0.000 0.445 186 N N 6.129 124.725 118.700 -0.172 0.000 2.314 186 N HA 0.529 5.269 4.740 -0.000 0.000 0.304 186 N C -1.047 174.191 175.510 -0.452 0.000 1.073 186 N CA -0.386 52.530 53.050 -0.224 0.000 0.822 186 N CB 2.488 40.956 38.487 -0.031 0.000 1.280 186 N HN 0.430 nan 8.380 nan 0.000 0.489 187 I N 1.454 121.846 120.570 -0.297 0.000 2.389 187 I HA 0.251 4.421 4.170 -0.000 0.000 0.288 187 I C -0.355 175.701 176.117 -0.101 0.000 0.999 187 I CA -0.821 60.341 61.300 -0.230 0.000 1.129 187 I CB 1.228 39.096 38.000 -0.220 0.000 1.288 187 I HN 0.127 nan 8.210 nan 0.000 0.444 188 N N 7.171 125.837 118.700 -0.055 0.000 2.401 188 N HA 0.373 5.113 4.740 -0.000 0.000 0.255 188 N C -0.720 174.761 175.510 -0.049 0.000 1.110 188 N CA 0.007 53.033 53.050 -0.040 0.000 0.949 188 N CB 1.093 39.573 38.487 -0.012 0.000 1.110 188 N HN 0.478 nan 8.380 nan 0.000 0.490 189 L N 2.342 123.522 121.223 -0.073 0.000 2.307 189 L HA 0.342 4.682 4.340 -0.000 0.000 0.284 189 L C 1.204 178.019 176.870 -0.092 0.000 1.023 189 L CA -0.505 54.290 54.840 -0.076 0.000 0.810 189 L CB 1.721 43.736 42.059 -0.074 0.000 1.231 189 L HN 0.375 nan 8.230 nan 0.000 0.423 190 L N 2.798 123.980 121.223 -0.069 0.000 2.747 190 L HA 0.013 4.353 4.340 -0.000 0.000 0.248 190 L C 1.122 177.950 176.870 -0.070 0.000 1.191 190 L CA 0.030 54.828 54.840 -0.071 0.000 1.003 190 L CB -0.567 41.466 42.059 -0.042 0.000 1.235 190 L HN 0.820 nan 8.230 nan 0.000 0.426 191 S N -2.376 113.276 115.700 -0.081 0.000 2.666 191 S HA 0.323 4.793 4.470 -0.000 0.000 0.230 191 S C 0.394 174.963 174.600 -0.052 0.000 1.146 191 S CA -0.238 57.931 58.200 -0.052 0.000 1.162 191 S CB 1.302 64.481 63.200 -0.035 0.000 1.085 191 S HN 0.124 nan 8.310 nan 0.000 0.514 192 T N -1.297 113.251 114.554 -0.010 0.000 2.908 192 T HA 0.429 4.778 4.350 -0.000 0.000 0.290 192 T C 0.603 175.347 174.700 0.074 0.000 1.034 192 T CA -0.669 61.461 62.100 0.050 0.000 1.010 192 T CB 1.619 70.529 68.868 0.070 0.000 1.068 192 T HN 0.708 nan 8.240 nan 0.000 0.481 193 K N 1.454 121.959 120.400 0.175 0.000 2.113 193 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 193 K C 1.658 178.339 176.600 0.136 0.000 1.047 193 K CA 2.198 58.593 56.287 0.180 0.000 0.928 193 K CB -0.042 32.598 32.500 0.234 0.000 0.716 193 K HN 0.684 nan 8.250 nan 0.000 0.446 194 E N 0.471 120.734 120.200 0.105 0.000 2.031 194 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 194 E C 2.186 178.857 176.600 0.118 0.000 0.994 194 E CA 1.688 58.149 56.400 0.101 0.000 0.800 194 E CB -0.020 29.718 29.700 0.065 0.000 0.752 194 E HN 0.350 nan 8.360 nan 0.000 0.447 195 Q N 0.087 119.934 119.800 0.077 0.000 2.030 195 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 195 Q C 2.309 178.342 176.000 0.054 0.000 0.986 195 Q CA 1.564 57.398 55.803 0.053 0.000 0.843 195 Q CB -0.358 28.396 28.738 0.026 0.000 0.904 195 Q HN 0.316 nan 8.270 nan 0.000 0.420 196 A N 0.703 123.556 122.820 0.056 0.000 1.903 196 A HA -0.314 4.006 4.320 -0.000 0.000 0.219 196 A C 1.836 179.470 177.584 0.083 0.000 1.191 196 A CA 2.201 54.268 52.037 0.049 0.000 0.638 196 A CB -1.028 18.001 19.000 0.047 0.000 0.823 196 A HN 0.539 nan 8.150 nan 0.000 0.451 197 H N -0.537 118.561 119.070 0.047 0.000 2.387 197 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 197 H C 2.183 177.532 175.328 0.035 0.000 1.090 197 H CA 1.899 57.980 56.048 0.055 0.000 1.332 197 H CB -0.138 29.667 29.762 0.070 0.000 1.386 197 H HN 0.505 nan 8.280 nan 0.000 0.516 198 R N 0.434 120.949 120.500 0.024 0.000 2.096 198 R HA -0.145 4.195 4.340 -0.000 0.000 0.229 198 R C 2.281 178.531 176.300 -0.082 0.000 1.134 198 R CA 2.175 58.253 56.100 -0.036 0.000 0.917 198 R CB -0.579 29.732 30.300 0.018 0.000 0.832 198 R HN 0.425 nan 8.270 nan 0.000 0.430 199 I N 1.000 121.541 120.570 -0.047 0.000 2.147 199 I HA -0.377 3.793 4.170 -0.000 0.000 0.245 199 I C 2.567 178.638 176.117 -0.077 0.000 1.059 199 I CA 1.758 63.026 61.300 -0.053 0.000 1.320 199 I CB -0.504 37.469 38.000 -0.044 0.000 1.021 199 I HN 0.468 nan 8.210 nan 0.000 0.415 200 A N 0.396 123.154 122.820 -0.103 0.000 1.930 200 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 200 A C 2.242 179.740 177.584 -0.143 0.000 1.175 200 A CA 1.206 53.176 52.037 -0.111 0.000 0.627 200 A CB -0.694 18.245 19.000 -0.101 0.000 0.815 200 A HN 0.412 nan 8.150 nan 0.000 0.443 201 L N -0.371 120.716 121.223 -0.227 0.000 2.191 201 L HA -0.186 4.153 4.340 -0.000 0.000 0.212 201 L C 2.134 178.948 176.870 -0.092 0.000 1.103 201 L CA 1.368 56.099 54.840 -0.182 0.000 0.769 201 L CB -0.448 41.485 42.059 -0.210 0.000 0.908 201 L HN 0.514 nan 8.230 nan 0.000 0.438 202 N N -0.799 117.854 118.700 -0.079 0.000 2.333 202 N HA -0.039 4.701 4.740 -0.000 0.000 0.178 202 N C 1.778 177.266 175.510 -0.038 0.000 1.018 202 N CA 0.499 53.520 53.050 -0.048 0.000 0.882 202 N CB 0.185 38.647 38.487 -0.041 0.000 0.984 202 N HN 0.258 nan 8.380 nan 0.000 0.434 203 L N 1.238 122.436 121.223 -0.042 0.000 2.071 203 L HA 0.023 4.362 4.340 -0.000 0.000 0.201 203 L C 1.020 177.878 176.870 -0.021 0.000 1.076 203 L CA 0.291 55.115 54.840 -0.027 0.000 0.755 203 L CB -0.471 41.574 42.059 -0.024 0.000 0.915 203 L HN 0.187 nan 8.230 nan 0.000 0.445 204 R N 1.124 121.609 120.500 -0.026 0.000 2.698 204 R HA -0.112 4.228 4.340 -0.000 0.000 0.266 204 R C 0.926 177.220 176.300 -0.010 0.000 1.026 204 R CA 0.268 56.360 56.100 -0.013 0.000 1.102 204 R CB 0.334 30.625 30.300 -0.015 0.000 0.978 204 R HN 0.189 nan 8.270 nan 0.000 0.436 205 E N 1.133 121.332 120.200 -0.000 0.000 2.150 205 E HA -0.258 4.091 4.350 -0.000 0.000 0.193 205 E C 1.607 178.208 176.600 0.002 0.000 0.985 205 E CA 0.943 57.343 56.400 0.001 0.000 0.814 205 E CB 0.160 29.864 29.700 0.006 0.000 0.752 205 E HN 0.802 nan 8.360 nan 0.000 0.466 206 Q N 0.084 119.886 119.800 0.004 0.000 2.297 206 Q HA -0.017 4.322 4.340 -0.000 0.000 0.204 206 Q C 0.813 176.815 176.000 0.003 0.000 0.962 206 Q CA 0.753 56.561 55.803 0.008 0.000 0.879 206 Q CB 0.000 28.747 28.738 0.014 0.000 0.947 206 Q HN 0.348 nan 8.270 nan 0.000 0.462 207 G N 1.175 109.972 108.800 -0.006 0.000 2.692 207 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.248 207 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.248 207 G C -0.857 174.038 174.900 -0.008 0.000 1.340 207 G CA -0.146 44.946 45.100 -0.012 0.000 0.896 207 G HN 0.447 nan 8.290 nan 0.000 0.570 208 R N 1.462 121.958 120.500 -0.007 0.000 2.459 208 R HA 0.434 4.773 4.340 -0.000 0.000 0.301 208 R C 1.333 177.642 176.300 0.016 0.000 1.286 208 R CA 1.064 57.167 56.100 0.006 0.000 1.046 208 R CB -0.403 29.901 30.300 0.005 0.000 1.071 208 R HN 2.096 nan 8.270 nan 0.000 0.512 209 G N 2.485 111.299 108.800 0.024 0.000 2.512 209 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.254 209 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.254 209 G C 0.280 175.191 174.900 0.018 0.000 1.199 209 G CA -0.258 44.856 45.100 0.024 0.000 0.941 209 G HN 0.404 nan 8.290 nan 0.000 0.569 210 K N 0.967 121.376 120.400 0.016 0.000 2.696 210 K HA 0.155 4.475 4.320 -0.000 0.000 0.169 210 K C 0.942 177.548 176.600 0.010 0.000 1.126 210 K CA 0.400 56.695 56.287 0.013 0.000 1.251 210 K CB -0.960 31.547 32.500 0.012 0.000 1.753 210 K HN 0.761 nan 8.250 nan 0.000 0.480 211 D N 2.112 122.517 120.400 0.008 0.000 2.982 211 D HA -0.186 4.454 4.640 -0.000 0.000 0.222 211 D C -0.272 176.032 176.300 0.005 0.000 1.124 211 D CA 1.177 55.181 54.000 0.006 0.000 0.810 211 D CB 0.021 40.824 40.800 0.006 0.000 1.152 211 D HN 0.334 nan 8.370 nan 0.000 0.538 212 Q N 1.989 121.791 119.800 0.004 0.000 2.166 212 Q HA -0.092 4.247 4.340 -0.000 0.000 0.284 212 Q C -2.516 173.484 176.000 0.000 0.000 1.102 212 Q CA -0.429 55.375 55.803 0.002 0.000 0.572 212 Q CB -0.570 28.169 28.738 0.002 0.000 0.861 212 Q HN 0.451 nan 8.270 nan 0.000 0.330 213 P HA 0.157 nan 4.420 nan 0.000 0.272 213 P C 0.586 177.881 177.300 -0.007 0.000 1.254 213 P CA 0.518 63.617 63.100 -0.002 0.000 0.795 213 P CB 0.297 31.996 31.700 -0.001 0.000 1.022 214 G N 0.126 108.920 108.800 -0.010 0.000 2.504 214 G HA2 0.128 4.087 3.960 -0.000 0.000 0.257 214 G HA3 0.128 4.087 3.960 -0.000 0.000 0.257 214 G C 0.976 175.868 174.900 -0.012 0.000 1.451 214 G CA -0.344 44.747 45.100 -0.015 0.000 1.059 214 G HN 0.378 nan 8.290 nan 0.000 0.550 215 R N -1.318 119.173 120.500 -0.014 0.000 2.062 215 R HA 0.176 4.516 4.340 -0.000 0.000 0.218 215 R C 0.663 176.956 176.300 -0.013 0.000 1.161 215 R CA 0.032 56.125 56.100 -0.012 0.000 0.994 215 R CB -0.534 29.758 30.300 -0.013 0.000 0.888 215 R HN 0.262 nan 8.270 nan 0.000 0.442 216 L N 3.169 124.384 121.223 -0.013 0.000 2.410 216 L HA 0.149 4.489 4.340 -0.000 0.000 0.273 216 L C 0.209 177.073 176.870 -0.010 0.000 1.144 216 L CA -0.186 54.645 54.840 -0.014 0.000 0.863 216 L CB 0.280 42.333 42.059 -0.010 0.000 1.140 216 L HN -0.090 nan 8.230 nan 0.000 0.463 217 K N 3.647 124.039 120.400 -0.013 0.000 2.185 217 K HA 0.159 4.479 4.320 -0.000 0.000 0.271 217 K C 0.398 176.996 176.600 -0.004 0.000 1.013 217 K CA -0.575 55.707 56.287 -0.009 0.000 0.943 217 K CB 0.716 33.207 32.500 -0.014 0.000 0.998 217 K HN 0.441 nan 8.250 nan 0.000 0.468 218 K N -0.713 119.690 120.400 0.004 0.000 3.020 218 K HA -0.162 4.158 4.320 -0.000 0.000 0.266 218 K C -0.612 176.004 176.600 0.026 0.000 1.067 218 K CA 0.472 56.767 56.287 0.014 0.000 0.780 218 K CB -1.897 30.607 32.500 0.007 0.000 1.220 218 K HN 0.342 nan 8.250 nan 0.000 0.483 219 V N 1.461 121.390 119.914 0.024 0.000 2.409 219 V HA 0.250 4.370 4.120 -0.000 0.000 0.291 219 V C 0.382 176.494 176.094 0.030 0.000 1.020 219 V CA -0.579 61.743 62.300 0.037 0.000 0.848 219 V CB 1.761 33.605 31.823 0.035 0.000 0.990 219 V HN 0.271 nan 8.190 nan 0.000 0.430 220 Q N 3.915 123.737 119.800 0.037 0.000 2.377 220 Q HA 0.848 5.188 4.340 -0.000 0.000 0.271 220 Q C -0.401 175.614 176.000 0.026 0.000 1.077 220 Q CA -0.237 55.582 55.803 0.027 0.000 0.820 220 Q CB 2.682 31.437 28.738 0.029 0.000 1.347 220 Q HN 0.911 nan 8.270 nan 0.000 0.444 221 G N 1.765 110.574 108.800 0.016 0.000 2.322 221 G HA2 0.433 4.392 3.960 -0.000 0.000 0.295 221 G HA3 0.433 4.392 3.960 -0.000 0.000 0.295 221 G C -1.410 173.502 174.900 0.019 0.000 1.369 221 G CA -0.228 44.879 45.100 0.012 0.000 0.821 221 G HN 1.003 nan 8.290 nan 0.000 0.536 222 I N -3.120 117.477 120.570 0.044 0.000 3.493 222 I HA 0.947 5.117 4.170 -0.000 0.000 0.315 222 I C 0.194 176.428 176.117 0.196 0.000 1.202 222 I CA -1.232 60.147 61.300 0.132 0.000 0.943 222 I CB 1.668 39.807 38.000 0.232 0.000 1.349 222 I HN 1.038 nan 8.210 nan 0.000 0.480 223 G N 0.591 109.637 108.800 0.410 0.000 2.367 223 G HA2 0.521 4.481 3.960 -0.000 0.000 0.314 223 G HA3 0.521 4.481 3.960 -0.000 0.000 0.314 223 G C -1.751 173.419 174.900 0.449 0.000 1.130 223 G CA -0.469 44.853 45.100 0.371 0.000 0.864 223 G HN 0.772 nan 8.290 nan 0.000 0.486 224 W N 2.103 123.463 121.300 0.099 0.000 3.025 224 W HA 0.585 5.244 4.660 -0.001 0.000 0.343 224 W C -2.457 174.139 176.519 0.128 0.000 1.246 224 W CA -1.133 56.272 57.345 0.099 0.000 1.178 224 W CB 2.070 31.569 29.460 0.066 0.000 1.463 224 W HN 0.467 nan 8.180 nan 0.000 0.578 225 Y N 3.735 123.618 120.300 -0.695 0.000 2.330 225 Y HA 0.366 4.916 4.550 -0.001 0.000 0.324 225 Y C -0.863 174.687 175.900 -0.584 0.000 1.093 225 Y CA -0.844 56.970 58.100 -0.476 0.000 1.103 225 Y CB 1.225 39.477 38.460 -0.346 0.000 1.183 225 Y HN 0.201 nan 8.280 nan 0.000 0.433 226 L N 6.218 127.409 121.223 -0.053 0.000 2.433 226 L HA 0.078 4.418 4.340 -0.000 0.000 0.275 226 L C 0.986 177.961 176.870 0.175 0.000 1.128 226 L CA 0.043 54.900 54.840 0.029 0.000 0.875 226 L CB 0.797 42.877 42.059 0.035 0.000 1.171 226 L HN 0.787 nan 8.230 nan 0.000 0.463 227 E N 2.564 122.794 120.200 0.050 0.000 2.028 227 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 227 E C 1.745 178.370 176.600 0.043 0.000 0.988 227 E CA 1.642 58.046 56.400 0.007 0.000 0.799 227 E CB 0.068 29.724 29.700 -0.074 0.000 0.755 227 E HN 0.792 nan 8.360 nan 0.000 0.447 228 E N 0.402 120.623 120.200 0.034 0.000 2.274 228 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 228 E C 1.480 178.104 176.600 0.040 0.000 0.996 228 E CA 0.825 57.243 56.400 0.030 0.000 0.840 228 E CB 0.049 29.763 29.700 0.024 0.000 0.772 228 E HN -0.062 nan 8.360 nan 0.000 0.491 229 K N 0.204 120.635 120.400 0.053 0.000 2.361 229 K HA 0.083 4.403 4.320 -0.000 0.000 0.194 229 K C 0.268 176.895 176.600 0.045 0.000 1.032 229 K CA 0.261 56.569 56.287 0.036 0.000 1.048 229 K CB 0.148 32.658 32.500 0.018 0.000 0.842 229 K HN 0.078 nan 8.250 nan 0.000 0.526 230 N N 0.171 118.947 118.700 0.127 0.000 2.818 230 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 230 N C -1.159 174.334 175.510 -0.028 0.000 1.108 230 N CA 0.400 53.581 53.050 0.220 0.000 0.745 230 N CB -1.193 37.365 38.487 0.118 0.000 1.104 230 N HN 0.179 nan 8.380 nan 0.000 0.557 231 L N -0.310 120.762 121.223 -0.252 0.000 2.362 231 L HA 0.859 5.199 4.340 -0.000 0.000 0.275 231 L C 0.228 176.663 176.870 -0.725 0.000 0.998 231 L CA -0.471 54.130 54.840 -0.398 0.000 0.820 231 L CB 1.502 43.462 42.059 -0.165 0.000 1.270 231 L HN 0.121 nan 8.230 nan 0.000 0.415 232 A N 4.288 126.687 122.820 -0.701 0.000 2.272 232 A HA 0.734 5.053 4.320 -0.000 0.000 0.275 232 A C -0.659 176.799 177.584 -0.210 0.000 1.096 232 A CA -0.253 51.454 52.037 -0.550 0.000 0.822 232 A CB 0.543 19.331 19.000 -0.353 0.000 1.088 232 A HN 0.773 nan 8.150 nan 0.000 0.495 233 Q N -0.417 119.352 119.800 -0.052 0.000 2.295 233 Q HA 0.405 4.745 4.340 -0.000 0.000 0.268 233 Q C -1.719 174.335 176.000 0.089 0.000 1.010 233 Q CA -0.687 55.142 55.803 0.043 0.000 0.856 233 Q CB 2.467 31.298 28.738 0.155 0.000 1.349 233 Q HN 0.468 nan 8.270 nan 0.000 0.412 234 V N 2.103 122.028 119.914 0.018 0.000 2.338 234 V HA 0.162 4.282 4.120 -0.000 0.000 0.255 234 V C 0.104 176.193 176.094 -0.009 0.000 1.082 234 V CA -0.088 62.218 62.300 0.010 0.000 0.951 234 V CB 0.741 32.539 31.823 -0.043 0.000 1.102 234 V HN 0.645 nan 8.190 nan 0.000 0.489 235 S N 4.835 120.559 115.700 0.040 0.000 2.452 235 S HA 0.669 5.139 4.470 -0.000 0.000 0.284 235 S C 0.168 174.761 174.600 -0.011 0.000 1.171 235 S CA -0.258 57.940 58.200 -0.004 0.000 1.064 235 S CB 0.651 63.820 63.200 -0.051 0.000 0.967 235 S HN 0.934 nan 8.310 nan 0.000 0.484 236 T N 2.252 116.810 114.554 0.007 0.000 2.901 236 T HA 0.570 4.920 4.350 -0.000 0.000 0.293 236 T C -1.198 173.553 174.700 0.086 0.000 1.084 236 T CA -1.108 61.020 62.100 0.047 0.000 1.008 236 T CB 1.309 70.222 68.868 0.075 0.000 1.170 236 T HN 0.500 nan 8.240 nan 0.000 0.509 237 N N 1.220 119.968 118.700 0.079 0.000 2.442 237 N HA 0.426 5.166 4.740 -0.000 0.000 0.274 237 N C -1.324 174.251 175.510 0.108 0.000 1.002 237 N CA -0.558 52.549 53.050 0.094 0.000 0.910 237 N CB 1.571 40.093 38.487 0.059 0.000 1.244 237 N HN 0.473 nan 8.380 nan 0.000 0.492 238 L N 2.784 124.089 121.223 0.137 0.000 2.369 238 L HA 0.213 4.553 4.340 -0.000 0.000 0.279 238 L C 1.694 178.647 176.870 0.138 0.000 1.108 238 L CA 0.242 55.159 54.840 0.128 0.000 0.852 238 L CB 0.539 42.676 42.059 0.130 0.000 1.169 238 L HN 0.483 nan 8.230 nan 0.000 0.452 239 L N 1.917 123.201 121.223 0.101 0.000 2.418 239 L HA 0.127 4.467 4.340 -0.000 0.000 0.218 239 L C 0.104 177.035 176.870 0.101 0.000 1.125 239 L CA 0.621 55.519 54.840 0.096 0.000 0.835 239 L CB 0.178 42.276 42.059 0.064 0.000 0.953 239 L HN 0.664 nan 8.230 nan 0.000 0.454 240 D N -1.091 119.359 120.400 0.084 0.000 2.312 240 D HA 0.033 4.672 4.640 -0.000 0.000 0.229 240 D C 0.470 176.747 176.300 -0.038 0.000 1.337 240 D CA -0.521 53.486 54.000 0.011 0.000 0.964 240 D CB 0.524 41.292 40.800 -0.054 0.000 1.456 240 D HN 0.079 nan 8.370 nan 0.000 0.547 241 F N 1.682 121.625 119.950 -0.013 0.000 2.664 241 F HA 0.139 4.666 4.527 0.000 0.000 0.297 241 F C 1.382 177.141 175.800 -0.069 0.000 1.164 241 F CA 0.400 58.363 58.000 -0.062 0.000 1.472 241 F CB 0.008 38.953 39.000 -0.091 0.000 1.108 241 F HN 0.112 nan 8.300 nan 0.000 0.596 242 E N 1.171 121.083 120.200 -0.481 0.000 2.140 242 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 242 E C 2.446 178.944 176.600 -0.170 0.000 0.973 242 E CA 1.129 57.322 56.400 -0.345 0.000 0.829 242 E CB -0.357 29.095 29.700 -0.414 0.000 0.781 242 E HN 0.489 nan 8.360 nan 0.000 0.466 243 V N 0.908 120.737 119.914 -0.142 0.000 2.273 243 V HA -0.038 4.082 4.120 -0.000 0.000 0.242 243 V C 1.264 177.309 176.094 -0.081 0.000 1.035 243 V CA 1.214 63.460 62.300 -0.090 0.000 1.013 243 V CB -0.370 31.412 31.823 -0.068 0.000 0.652 243 V HN 0.057 nan 8.190 nan 0.000 0.452 244 T N 1.277 115.787 114.554 -0.073 0.000 2.770 244 T HA 0.724 5.074 4.350 -0.000 0.000 0.283 244 T C -0.060 174.575 174.700 -0.109 0.000 0.988 244 T CA 0.031 62.078 62.100 -0.089 0.000 0.957 244 T CB 1.382 70.219 68.868 -0.051 0.000 0.930 244 T HN 0.549 nan 8.240 nan 0.000 0.443 245 A N 2.939 125.617 122.820 -0.237 0.000 2.272 245 A HA 0.553 4.872 4.320 -0.000 0.000 0.275 245 A C 1.558 178.950 177.584 -0.320 0.000 1.096 245 A CA -0.550 51.289 52.037 -0.329 0.000 0.822 245 A CB 0.151 18.736 19.000 -0.692 0.000 1.088 245 A HN 0.961 nan 8.150 nan 0.000 0.495 246 L N -0.498 120.572 121.223 -0.255 0.000 2.191 246 L HA -0.194 4.145 4.340 -0.000 0.000 0.212 246 L C 2.324 179.130 176.870 -0.107 0.000 1.103 246 L CA 2.241 56.934 54.840 -0.245 0.000 0.769 246 L CB -0.471 41.399 42.059 -0.316 0.000 0.908 246 L HN 1.100 nan 8.230 nan 0.000 0.438 247 H N -3.469 115.598 119.070 -0.006 0.000 2.431 247 H HA -0.027 4.529 4.556 -0.000 0.000 0.295 247 H C 2.089 177.454 175.328 0.062 0.000 1.038 247 H CA 1.076 57.184 56.048 0.100 0.000 1.360 247 H CB -0.890 28.856 29.762 -0.027 0.000 1.433 247 H HN 0.158 nan 8.280 nan 0.000 0.536 248 T N -0.967 113.277 114.554 -0.516 0.000 2.962 248 T HA -0.082 4.268 4.350 -0.000 0.000 0.270 248 T C 1.972 176.644 174.700 -0.048 0.000 1.088 248 T CA 0.829 62.789 62.100 -0.232 0.000 1.127 248 T CB -0.714 67.963 68.868 -0.320 0.000 0.883 248 T HN 0.177 nan 8.240 nan 0.000 0.493 249 V N 0.687 120.611 119.914 0.016 0.000 2.221 249 V HA -0.114 4.006 4.120 -0.000 0.000 0.240 249 V C 2.119 178.333 176.094 0.199 0.000 1.041 249 V CA 1.745 64.125 62.300 0.134 0.000 0.991 249 V CB -0.851 31.123 31.823 0.252 0.000 0.634 249 V HN 0.470 nan 8.190 nan 0.000 0.450 250 Y N 1.202 121.648 120.300 0.244 0.000 2.002 250 Y HA -0.325 4.225 4.550 -0.000 0.000 0.268 250 Y C 2.656 178.649 175.900 0.154 0.000 1.177 250 Y CA 2.424 60.654 58.100 0.216 0.000 1.111 250 Y CB -0.327 38.342 38.460 0.349 0.000 0.952 250 Y HN 0.277 nan 8.280 nan 0.000 0.491 251 E N -0.022 120.367 120.200 0.314 0.000 2.267 251 E HA -0.215 4.135 4.350 -0.000 0.000 0.197 251 E C 1.999 178.628 176.600 0.048 0.000 0.998 251 E CA 1.404 57.929 56.400 0.208 0.000 0.830 251 E CB -0.149 29.754 29.700 0.338 0.000 0.751 251 E HN 0.581 nan 8.360 nan 0.000 0.491 252 E N 0.489 120.702 120.200 0.022 0.000 2.042 252 E HA 0.042 4.392 4.350 -0.000 0.000 0.189 252 E C 1.910 178.477 176.600 -0.054 0.000 0.974 252 E CA 1.178 57.572 56.400 -0.010 0.000 0.806 252 E CB -0.304 29.395 29.700 -0.003 0.000 0.769 252 E HN 0.121 nan 8.360 nan 0.000 0.451 253 A N 1.430 124.199 122.820 -0.085 0.000 1.948 253 A HA -0.229 4.090 4.320 -0.000 0.000 0.220 253 A C 2.161 179.643 177.584 -0.170 0.000 1.177 253 A CA 1.604 53.567 52.037 -0.124 0.000 0.636 253 A CB -0.557 18.353 19.000 -0.150 0.000 0.815 253 A HN 0.095 nan 8.150 nan 0.000 0.449 254 R N -0.313 120.033 120.500 -0.258 0.000 2.112 254 R HA -0.183 4.156 4.340 -0.000 0.000 0.242 254 R C 2.341 178.579 176.300 -0.104 0.000 1.137 254 R CA 2.159 58.120 56.100 -0.232 0.000 0.944 254 R CB -0.598 29.549 30.300 -0.254 0.000 0.857 254 R HN 0.644 nan 8.270 nan 0.000 0.435 255 R N 0.087 120.550 120.500 -0.060 0.000 2.062 255 R HA -0.125 4.214 4.340 -0.000 0.000 0.231 255 R C 2.225 178.505 176.300 -0.034 0.000 1.136 255 R CA 1.236 57.319 56.100 -0.028 0.000 0.948 255 R CB -0.406 29.889 30.300 -0.007 0.000 0.845 255 R HN 0.099 nan 8.270 nan 0.000 0.430 256 E N 0.568 120.743 120.200 -0.041 0.000 2.200 256 E HA -0.275 4.075 4.350 -0.000 0.000 0.211 256 E C 1.691 178.267 176.600 -0.040 0.000 1.048 256 E CA 2.166 58.543 56.400 -0.040 0.000 0.851 256 E CB -0.199 29.472 29.700 -0.050 0.000 0.747 256 E HN 0.428 nan 8.360 nan 0.000 0.462 257 A N -0.369 122.419 122.820 -0.053 0.000 1.943 257 A HA -0.059 4.261 4.320 -0.000 0.000 0.213 257 A C 1.921 179.484 177.584 -0.036 0.000 1.181 257 A CA 0.988 52.995 52.037 -0.049 0.000 0.653 257 A CB -0.261 18.697 19.000 -0.070 0.000 0.833 257 A HN 0.271 nan 8.150 nan 0.000 0.451 258 Q N -0.316 119.463 119.800 -0.034 0.000 2.541 258 Q HA -0.092 4.248 4.340 -0.000 0.000 0.215 258 Q C 1.259 177.251 176.000 -0.013 0.000 0.977 258 Q CA 0.958 56.749 55.803 -0.020 0.000 0.934 258 Q CB -0.021 28.708 28.738 -0.014 0.000 0.988 258 Q HN 0.738 nan 8.270 nan 0.000 0.521 259 E N -0.006 120.185 120.200 -0.015 0.000 2.318 259 E HA 0.000 4.350 4.350 -0.000 0.000 0.193 259 E C 0.862 177.457 176.600 -0.009 0.000 0.998 259 E CA 0.492 56.886 56.400 -0.010 0.000 0.859 259 E CB 0.448 30.142 29.700 -0.010 0.000 0.812 259 E HN 0.283 nan 8.360 nan 0.000 0.492 260 L N -0.279 120.937 121.223 -0.012 0.000 2.906 260 L HA 0.292 4.632 4.340 -0.000 0.000 0.255 260 L C -0.321 176.543 176.870 -0.009 0.000 1.166 260 L CA -0.237 54.597 54.840 -0.009 0.000 0.977 260 L CB -0.160 41.894 42.059 -0.009 0.000 1.313 260 L HN 0.031 nan 8.230 nan 0.000 0.549 261 N N 1.556 120.249 118.700 -0.011 0.000 2.727 261 N HA -0.159 4.581 4.740 -0.000 0.000 0.251 261 N C -0.883 174.619 175.510 -0.012 0.000 1.040 261 N CA 0.091 53.135 53.050 -0.010 0.000 0.712 261 N CB -1.015 37.469 38.487 -0.006 0.000 0.912 261 N HN 0.295 nan 8.380 nan 0.000 0.545 262 L N 0.055 121.267 121.223 -0.019 0.000 2.385 262 L HA 0.641 4.981 4.340 -0.000 0.000 0.273 262 L C -2.160 174.692 176.870 -0.029 0.000 0.990 262 L CA -1.904 52.922 54.840 -0.023 0.000 0.821 262 L CB 1.670 43.713 42.059 -0.026 0.000 1.279 262 L HN -0.158 nan 8.230 nan 0.000 0.412 263 P HA 0.161 nan 4.420 nan 0.000 0.280 263 P C -0.657 176.620 177.300 -0.038 0.000 1.244 263 P CA -0.271 62.813 63.100 -0.026 0.000 0.784 263 P CB 1.695 33.385 31.700 -0.017 0.000 0.913 264 V N 4.347 124.234 119.914 -0.044 0.000 2.407 264 V HA 0.153 4.273 4.120 -0.000 0.000 0.278 264 V C 0.858 176.955 176.094 0.004 0.000 1.037 264 V CA -0.388 61.880 62.300 -0.053 0.000 0.900 264 V CB 1.564 33.306 31.823 -0.135 0.000 0.983 264 V HN 0.474 nan 8.190 nan 0.000 0.459 265 V N 3.478 123.403 119.914 0.018 0.000 2.294 265 V HA 0.870 4.990 4.120 -0.000 0.000 0.258 265 V C 0.588 176.725 176.094 0.072 0.000 1.080 265 V CA 0.341 62.665 62.300 0.040 0.000 1.128 265 V CB -0.483 31.346 31.823 0.009 0.000 1.323 265 V HN 1.352 nan 8.190 nan 0.000 0.498 266 G N 2.601 111.499 108.800 0.165 0.000 2.525 266 G HA2 0.109 4.069 3.960 -0.000 0.000 0.248 266 G HA3 0.109 4.069 3.960 -0.000 0.000 0.248 266 G C -0.015 174.985 174.900 0.167 0.000 1.238 266 G CA 0.476 45.678 45.100 0.169 0.000 0.926 266 G HN 2.452 nan 8.290 nan 0.000 0.574 267 S N -1.450 114.287 115.700 0.060 0.000 2.636 267 S HA 0.682 5.152 4.470 -0.000 0.000 0.266 267 S C -1.108 173.531 174.600 0.064 0.000 1.147 267 S CA 0.475 58.677 58.200 0.004 0.000 0.815 267 S CB 1.753 64.938 63.200 -0.025 0.000 1.119 267 S HN 2.218 nan 8.310 nan 0.000 0.470 268 Q N 0.610 120.469 119.800 0.099 0.000 2.309 268 Q HA 0.664 5.004 4.340 -0.000 0.000 0.273 268 Q C -1.858 174.337 176.000 0.325 0.000 1.040 268 Q CA -0.993 54.922 55.803 0.185 0.000 0.834 268 Q CB 1.559 30.375 28.738 0.130 0.000 1.345 268 Q HN 0.717 nan 8.270 nan 0.000 0.414 269 L N 2.214 123.623 121.223 0.310 0.000 2.326 269 L HA 0.531 4.871 4.340 -0.000 0.000 0.278 269 L C -0.608 176.390 176.870 0.212 0.000 1.092 269 L CA -0.968 54.042 54.840 0.283 0.000 0.810 269 L CB 1.710 43.890 42.059 0.201 0.000 1.153 269 L HN 0.500 nan 8.230 nan 0.000 0.439 270 V N 3.219 123.235 119.914 0.170 0.000 2.357 270 V HA 0.763 4.883 4.120 -0.000 0.000 0.284 270 V C 0.645 176.791 176.094 0.086 0.000 1.018 270 V CA 0.362 62.728 62.300 0.111 0.000 0.841 270 V CB 0.597 32.470 31.823 0.083 0.000 0.991 270 V HN 1.066 nan 8.190 nan 0.000 0.437 271 G N 5.055 113.893 108.800 0.063 0.000 2.499 271 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.232 271 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.232 271 G C -0.744 174.194 174.900 0.063 0.000 1.251 271 G CA -0.246 44.882 45.100 0.046 0.000 0.917 271 G HN 0.700 nan 8.290 nan 0.000 0.580 272 L N -0.141 121.136 121.223 0.090 0.000 2.334 272 L HA 0.787 5.127 4.340 -0.000 0.000 0.275 272 L C 0.472 177.459 176.870 0.195 0.000 1.036 272 L CA -1.049 53.859 54.840 0.113 0.000 0.807 272 L CB 1.699 43.831 42.059 0.122 0.000 1.231 272 L HN 0.767 nan 8.230 nan 0.000 0.438 273 V N 3.169 123.113 119.914 0.050 0.000 2.680 273 V HA 0.649 4.769 4.120 -0.000 0.000 0.309 273 V C -2.475 173.414 176.094 -0.342 0.000 1.052 273 V CA -2.177 60.039 62.300 -0.139 0.000 0.908 273 V CB 2.691 34.452 31.823 -0.103 0.000 1.001 273 V HN 0.526 nan 8.190 nan 0.000 0.431 274 P HA 0.250 nan 4.420 nan 0.000 0.279 274 P C 0.485 177.521 177.300 -0.440 0.000 1.239 274 P CA -0.342 62.377 63.100 -0.634 0.000 0.789 274 P CB 1.176 32.292 31.700 -0.974 0.000 0.933 275 L N 4.018 125.106 121.223 -0.225 0.000 1.990 275 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 275 L C 2.194 178.983 176.870 -0.135 0.000 1.072 275 L CA 2.067 56.834 54.840 -0.122 0.000 0.755 275 L CB -0.966 41.115 42.059 0.037 0.000 0.889 275 L HN 0.332 nan 8.230 nan 0.000 0.432 276 K N -0.746 119.589 120.400 -0.108 0.000 2.034 276 K HA -0.284 4.036 4.320 -0.000 0.000 0.214 276 K C 2.011 178.562 176.600 -0.081 0.000 1.051 276 K CA 1.775 58.056 56.287 -0.009 0.000 0.931 276 K CB -0.476 32.129 32.500 0.175 0.000 0.715 276 K HN 0.519 nan 8.250 nan 0.000 0.446 277 A N 1.445 123.984 122.820 -0.468 0.000 1.909 277 A HA -0.239 4.081 4.320 -0.000 0.000 0.221 277 A C 2.035 179.499 177.584 -0.201 0.000 1.223 277 A CA 2.545 54.261 52.037 -0.535 0.000 0.658 277 A CB -0.826 17.570 19.000 -1.008 0.000 0.831 277 A HN 0.488 nan 8.150 nan 0.000 0.462 278 L N -3.316 117.781 121.223 -0.209 0.000 2.592 278 L HA 0.399 4.739 4.340 -0.000 0.000 0.227 278 L C 1.739 178.589 176.870 -0.034 0.000 1.127 278 L CA 0.813 55.581 54.840 -0.120 0.000 0.884 278 L CB -0.169 41.785 42.059 -0.174 0.000 1.065 278 L HN 0.247 nan 8.230 nan 0.000 0.457 279 L N -0.486 120.726 121.223 -0.018 0.000 2.375 279 L HA 0.051 4.391 4.340 -0.000 0.000 0.215 279 L C 1.670 178.579 176.870 0.065 0.000 1.108 279 L CA 0.551 55.409 54.840 0.030 0.000 0.830 279 L CB -0.073 42.008 42.059 0.036 0.000 0.959 279 L HN 0.312 nan 8.230 nan 0.000 0.457 280 D N 0.234 120.686 120.400 0.088 0.000 2.091 280 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 280 D C 2.187 178.563 176.300 0.126 0.000 0.980 280 D CA 1.254 55.326 54.000 0.120 0.000 0.831 280 D CB -0.156 40.742 40.800 0.163 0.000 0.987 280 D HN 0.270 nan 8.370 nan 0.000 0.460 281 A N 1.936 124.869 122.820 0.189 0.000 1.894 281 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 281 A C 2.380 180.048 177.584 0.140 0.000 1.237 281 A CA 3.479 55.644 52.037 0.214 0.000 0.660 281 A CB -1.235 17.913 19.000 0.246 0.000 0.835 281 A HN 0.283 nan 8.150 nan 0.000 0.461 282 A N -0.535 122.375 122.820 0.149 0.000 1.859 282 A HA -0.020 4.299 4.320 -0.000 0.000 0.218 282 A C 2.607 180.255 177.584 0.106 0.000 1.209 282 A CA 3.316 55.441 52.037 0.145 0.000 0.639 282 A CB -1.429 17.621 19.000 0.083 0.000 0.835 282 A HN 1.549 nan 8.150 nan 0.000 0.450 283 A N -1.787 121.075 122.820 0.071 0.000 2.024 283 A HA -0.067 4.252 4.320 -0.000 0.000 0.220 283 A C 2.002 179.591 177.584 0.008 0.000 1.164 283 A CA 1.820 53.885 52.037 0.047 0.000 0.643 283 A CB -0.719 18.315 19.000 0.057 0.000 0.806 283 A HN 0.836 nan 8.150 nan 0.000 0.451 284 F N -0.401 119.408 119.950 -0.235 0.000 2.113 284 F HA -0.158 4.369 4.527 -0.000 0.000 0.297 284 F C 1.908 177.484 175.800 -0.374 0.000 1.103 284 F CA 1.451 59.190 58.000 -0.436 0.000 1.248 284 F CB -0.653 37.739 39.000 -1.015 0.000 0.999 284 F HN 0.313 nan 8.300 nan 0.000 0.475 285 Y N -0.583 119.505 120.300 -0.355 0.000 2.574 285 Y HA -0.144 4.406 4.550 -0.000 0.000 0.294 285 Y C 2.403 178.145 175.900 -0.264 0.000 1.142 285 Y CA 0.792 58.654 58.100 -0.396 0.000 1.314 285 Y CB -0.673 37.686 38.460 -0.168 0.000 0.991 285 Y HN 0.182 nan 8.280 nan 0.000 0.555 286 C N -1.606 117.649 119.300 -0.074 0.000 2.525 286 C HA -0.064 4.396 4.460 -0.000 0.000 0.291 286 C C 2.479 177.429 174.990 -0.067 0.000 1.351 286 C CA -0.191 58.810 59.018 -0.029 0.000 1.771 286 C CB -0.537 27.215 27.740 0.021 0.000 2.177 286 C HN 0.508 nan 8.230 nan 0.000 0.510 287 D N 2.123 122.458 120.400 -0.108 0.000 2.106 287 D HA -0.228 4.411 4.640 -0.000 0.000 0.191 287 D C 2.067 178.276 176.300 -0.152 0.000 0.997 287 D CA 2.151 56.090 54.000 -0.102 0.000 0.834 287 D CB -0.037 40.712 40.800 -0.085 0.000 0.956 287 D HN 0.665 nan 8.370 nan 0.000 0.448 288 K N 0.400 120.610 120.400 -0.316 0.000 2.211 288 K HA 0.018 4.338 4.320 -0.000 0.000 0.201 288 K C 1.888 178.387 176.600 -0.169 0.000 1.052 288 K CA 0.783 56.895 56.287 -0.292 0.000 0.973 288 K CB -0.100 32.087 32.500 -0.522 0.000 0.766 288 K HN -0.074 nan 8.250 nan 0.000 0.466 289 E N 1.096 121.211 120.200 -0.141 0.000 2.502 289 E HA 0.054 4.404 4.350 -0.000 0.000 0.194 289 E C -0.805 175.779 176.600 -0.026 0.000 1.062 289 E CA -0.030 56.338 56.400 -0.054 0.000 0.867 289 E CB 0.044 29.733 29.700 -0.019 0.000 0.888 289 E HN 0.207 nan 8.360 nan 0.000 0.510 290 K N 0.042 120.422 120.400 -0.033 0.000 3.393 290 K HA -0.206 4.114 4.320 -0.000 0.000 0.272 290 K C -0.960 175.660 176.600 0.033 0.000 1.004 290 K CA 0.270 56.556 56.287 -0.002 0.000 0.764 290 K CB -1.560 30.941 32.500 0.002 0.000 1.373 290 K HN 0.097 nan 8.250 nan 0.000 0.458 291 L N -2.436 118.817 121.223 0.050 0.000 2.216 291 L HA 0.863 5.202 4.340 -0.000 0.000 0.260 291 L C -0.388 176.598 176.870 0.194 0.000 1.036 291 L CA -0.950 53.953 54.840 0.104 0.000 0.914 291 L CB 0.390 42.491 42.059 0.070 0.000 1.501 291 L HN -0.012 nan 8.230 nan 0.000 0.485 292 F N 0.959 120.922 119.950 0.021 0.000 2.828 292 F HA 0.727 5.254 4.527 0.000 0.000 0.355 292 F C -1.564 174.239 175.800 0.005 0.000 1.200 292 F CA -1.075 56.927 58.000 0.003 0.000 1.062 292 F CB 1.402 40.405 39.000 0.005 0.000 1.351 292 F HN 0.169 nan 8.300 nan 0.000 0.504 293 V N 8.168 127.960 119.914 -0.203 0.000 2.357 293 V HA 0.265 4.385 4.120 -0.000 0.000 0.281 293 V C 0.673 176.592 176.094 -0.292 0.000 1.015 293 V CA -0.427 61.723 62.300 -0.249 0.000 0.827 293 V CB 1.082 32.867 31.823 -0.063 0.000 1.018 293 V HN 0.951 nan 8.190 nan 0.000 0.432 294 L N 1.545 122.464 121.223 -0.507 0.000 2.071 294 L HA 0.271 4.610 4.340 -0.000 0.000 0.201 294 L C 1.324 178.050 176.870 -0.240 0.000 1.076 294 L CA 1.098 55.659 54.840 -0.465 0.000 0.755 294 L CB 0.426 42.067 42.059 -0.697 0.000 0.915 294 L HN 0.718 nan 8.230 nan 0.000 0.445 295 E N 0.500 120.558 120.200 -0.237 0.000 2.360 295 E HA -0.100 4.250 4.350 -0.000 0.000 0.269 295 E C 0.766 177.332 176.600 -0.057 0.000 1.022 295 E CA 0.364 56.675 56.400 -0.147 0.000 0.887 295 E CB 1.244 30.760 29.700 -0.306 0.000 0.990 295 E HN 0.242 nan 8.360 nan 0.000 0.426 296 E N 3.960 124.168 120.200 0.014 0.000 2.038 296 E HA -0.325 4.025 4.350 -0.000 0.000 0.195 296 E C 1.483 178.132 176.600 0.081 0.000 1.000 296 E CA 1.623 58.057 56.400 0.057 0.000 0.803 296 E CB -0.058 29.690 29.700 0.080 0.000 0.750 296 E HN 0.773 nan 8.360 nan 0.000 0.448 297 E N 0.196 120.438 120.200 0.070 0.000 2.086 297 E HA -0.345 4.005 4.350 -0.000 0.000 0.205 297 E C 1.968 178.670 176.600 0.170 0.000 1.027 297 E CA 2.064 58.533 56.400 0.115 0.000 0.830 297 E CB -0.561 29.183 29.700 0.073 0.000 0.751 297 E HN 0.608 nan 8.360 nan 0.000 0.456 298 H N -0.246 118.829 119.070 0.009 0.000 2.422 298 H HA -0.037 4.519 4.556 -0.000 0.000 0.298 298 H C 2.445 177.761 175.328 -0.020 0.000 1.098 298 H CA 1.054 57.091 56.048 -0.018 0.000 1.315 298 H CB 0.086 29.817 29.762 -0.051 0.000 1.382 298 H HN 0.207 nan 8.280 nan 0.000 0.523 299 R N 0.069 120.643 120.500 0.122 0.000 2.115 299 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 299 R C 2.011 178.340 176.300 0.048 0.000 1.111 299 R CA 1.004 57.144 56.100 0.066 0.000 0.976 299 R CB -0.114 30.221 30.300 0.059 0.000 0.870 299 R HN 0.213 nan 8.270 nan 0.000 0.445 300 I N 0.742 121.348 120.570 0.061 0.000 2.252 300 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 300 I C 2.637 178.758 176.117 0.005 0.000 1.102 300 I CA 1.211 62.528 61.300 0.029 0.000 1.385 300 I CB -0.311 37.719 38.000 0.050 0.000 1.064 300 I HN 0.049 nan 8.210 nan 0.000 0.414 301 R N 0.500 121.019 120.500 0.031 0.000 2.091 301 R HA -0.224 4.116 4.340 -0.000 0.000 0.238 301 R C 2.292 178.554 176.300 -0.064 0.000 1.136 301 R CA 1.703 57.798 56.100 -0.008 0.000 0.959 301 R CB -0.414 29.878 30.300 -0.013 0.000 0.856 301 R HN 0.298 nan 8.270 nan 0.000 0.437 302 L N 0.232 121.419 121.223 -0.061 0.000 1.948 302 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 302 L C 2.218 179.005 176.870 -0.139 0.000 1.074 302 L CA 1.821 56.604 54.840 -0.095 0.000 0.753 302 L CB -0.729 41.299 42.059 -0.052 0.000 0.888 302 L HN 0.097 nan 8.230 nan 0.000 0.432 303 V N -0.762 119.101 119.914 -0.085 0.000 2.982 303 V HA -0.191 3.929 4.120 -0.000 0.000 0.265 303 V C 2.101 178.074 176.094 -0.202 0.000 1.122 303 V CA 1.543 63.787 62.300 -0.093 0.000 1.143 303 V CB -0.200 31.630 31.823 0.012 0.000 0.726 303 V HN 0.366 nan 8.190 nan 0.000 0.507 304 V N 0.703 120.488 119.914 -0.215 0.000 2.251 304 V HA -0.215 3.905 4.120 -0.000 0.000 0.233 304 V C 2.446 178.394 176.094 -0.243 0.000 1.041 304 V CA 2.259 64.393 62.300 -0.277 0.000 1.000 304 V CB -0.924 30.780 31.823 -0.198 0.000 0.643 304 V HN 0.744 nan 8.190 nan 0.000 0.460 305 N N 0.289 118.878 118.700 -0.185 0.000 2.165 305 N HA -0.304 4.436 4.740 -0.000 0.000 0.198 305 N C 1.915 177.285 175.510 -0.232 0.000 0.999 305 N CA 1.930 54.877 53.050 -0.171 0.000 0.893 305 N CB -0.149 38.258 38.487 -0.134 0.000 1.025 305 N HN 0.322 nan 8.380 nan 0.000 0.456 306 R N 0.309 120.604 120.500 -0.342 0.000 2.092 306 R HA -0.025 4.315 4.340 -0.000 0.000 0.231 306 R C 1.863 177.870 176.300 -0.489 0.000 1.119 306 R CA 0.769 56.562 56.100 -0.511 0.000 0.970 306 R CB -0.425 29.215 30.300 -1.100 0.000 0.864 306 R HN 0.422 nan 8.270 nan 0.000 0.440 307 L N -0.270 120.657 121.223 -0.492 0.000 2.700 307 L HA 0.323 4.663 4.340 -0.000 0.000 0.234 307 L C 0.731 177.345 176.870 -0.427 0.000 1.156 307 L CA -0.013 54.389 54.840 -0.729 0.000 0.946 307 L CB -0.028 41.737 42.059 -0.490 0.000 1.216 307 L HN 0.121 nan 8.230 nan 0.000 0.493 308 G N 1.401 110.049 108.800 -0.254 0.000 2.306 308 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.274 308 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.274 308 G C 0.742 175.582 174.900 -0.100 0.000 0.890 308 G CA 0.315 45.340 45.100 -0.125 0.000 1.298 308 G HN 0.417 nan 8.290 nan 0.000 0.445 309 L N -0.239 120.892 121.223 -0.152 0.000 2.395 309 L HA 0.105 4.445 4.340 -0.000 0.000 0.218 309 L C 0.839 177.701 176.870 -0.014 0.000 1.130 309 L CA 0.957 55.710 54.840 -0.144 0.000 0.826 309 L CB 0.018 41.800 42.059 -0.461 0.000 0.941 309 L HN 0.542 nan 8.230 nan 0.000 0.451 310 D N -1.565 118.836 120.400 0.002 0.000 2.485 310 D HA 0.140 4.779 4.640 -0.000 0.000 0.229 310 D C 0.560 176.880 176.300 0.033 0.000 1.101 310 D CA -0.129 53.907 54.000 0.061 0.000 0.906 310 D CB 1.059 41.903 40.800 0.073 0.000 1.019 310 D HN 0.043 nan 8.370 nan 0.000 0.516 311 S N 0.694 116.418 115.700 0.040 0.000 2.658 311 S HA 0.096 4.566 4.470 -0.000 0.000 0.277 311 S C 1.142 175.762 174.600 0.034 0.000 1.078 311 S CA -0.401 57.816 58.200 0.028 0.000 1.124 311 S CB 0.003 63.217 63.200 0.023 0.000 1.016 311 S HN 0.304 nan 8.310 nan 0.000 0.543 312 L N 1.273 122.524 121.223 0.048 0.000 2.609 312 L HA 0.726 5.066 4.340 -0.000 0.000 0.230 312 L C 0.655 177.556 176.870 0.051 0.000 1.087 312 L CA 0.510 55.379 54.840 0.049 0.000 0.874 312 L CB 0.908 43.002 42.059 0.058 0.000 1.114 312 L HN 0.546 nan 8.230 nan 0.000 0.488 313 A N -0.214 122.642 122.820 0.060 0.000 2.522 313 A HA 0.566 4.886 4.320 -0.000 0.000 0.294 313 A C -2.859 174.769 177.584 0.074 0.000 1.001 313 A CA -0.721 51.349 52.037 0.056 0.000 0.642 313 A CB 0.292 19.325 19.000 0.054 0.000 1.326 313 A HN -0.183 nan 8.150 nan 0.000 0.435 314 P HA 0.491 nan 4.420 nan 0.000 0.276 314 P C -0.937 176.436 177.300 0.122 0.000 1.244 314 P CA -0.126 63.024 63.100 0.083 0.000 0.801 314 P CB 0.478 32.207 31.700 0.049 0.000 1.006 315 F N 1.644 121.587 119.950 -0.012 0.000 2.293 315 F HA 0.229 4.756 4.527 0.000 0.000 0.370 315 F C -0.008 175.773 175.800 -0.031 0.000 1.090 315 F CA -0.734 57.253 58.000 -0.022 0.000 1.133 315 F CB 0.217 39.199 39.000 -0.030 0.000 1.360 315 F HN 0.091 nan 8.300 nan 0.000 0.489 316 D N 8.579 128.761 120.400 -0.364 0.000 2.393 316 D HA 0.200 4.839 4.640 -0.000 0.000 0.232 316 D C -1.779 174.244 176.300 -0.462 0.000 1.192 316 D CA -2.425 51.410 54.000 -0.276 0.000 0.882 316 D CB 1.499 42.193 40.800 -0.176 0.000 1.038 316 D HN 0.254 nan 8.370 nan 0.000 0.499 317 P HA -0.073 nan 4.420 nan 0.000 0.225 317 P C 1.082 178.194 177.300 -0.313 0.000 1.156 317 P CA 0.546 63.412 63.100 -0.389 0.000 0.787 317 P CB 0.278 31.919 31.700 -0.098 0.000 0.802 318 K N 0.009 120.334 120.400 -0.124 0.000 2.574 318 K HA -0.107 4.212 4.320 -0.000 0.000 0.193 318 K C 1.560 178.149 176.600 -0.018 0.000 1.035 318 K CA 0.824 57.129 56.287 0.030 0.000 0.982 318 K CB 0.016 32.552 32.500 0.060 0.000 0.795 318 K HN 0.064 nan 8.250 nan 0.000 0.491 319 E N -1.113 119.007 120.200 -0.132 0.000 2.679 319 E HA 0.050 4.399 4.350 -0.000 0.000 0.221 319 E C 0.790 177.286 176.600 -0.173 0.000 0.928 319 E CA -0.072 56.258 56.400 -0.116 0.000 1.296 319 E CB 0.578 30.212 29.700 -0.109 0.000 1.235 319 E HN 0.063 nan 8.360 nan 0.000 0.622 320 R N -0.039 120.282 120.500 -0.298 0.000 2.250 320 R HA 0.336 4.675 4.340 -0.000 0.000 0.194 320 R C 0.932 177.110 176.300 -0.203 0.000 0.927 320 R CA 0.100 56.004 56.100 -0.327 0.000 1.052 320 R CB 0.543 30.398 30.300 -0.742 0.000 1.055 320 R HN 0.095 nan 8.270 nan 0.000 0.537 321 I N 1.761 122.193 120.570 -0.231 0.000 2.395 321 I HA 0.097 4.267 4.170 -0.000 0.000 0.289 321 I C 1.813 177.903 176.117 -0.045 0.000 1.023 321 I CA -0.230 60.961 61.300 -0.181 0.000 1.350 321 I CB 1.217 38.973 38.000 -0.406 0.000 1.409 321 I HN -0.139 nan 8.210 nan 0.000 0.507 322 I N 3.687 124.250 120.570 -0.012 0.000 2.113 322 I HA -0.232 3.938 4.170 -0.000 0.000 0.238 322 I C 1.930 178.106 176.117 0.098 0.000 1.070 322 I CA 1.594 62.924 61.300 0.049 0.000 1.332 322 I CB -0.220 37.817 38.000 0.062 0.000 1.044 322 I HN 0.667 nan 8.210 nan 0.000 0.402 323 E N 0.068 120.341 120.200 0.121 0.000 2.393 323 E HA -0.224 4.126 4.350 -0.000 0.000 0.201 323 E C 1.575 178.316 176.600 0.235 0.000 1.025 323 E CA 1.247 57.745 56.400 0.164 0.000 0.856 323 E CB -0.175 29.622 29.700 0.161 0.000 0.771 323 E HN 0.532 nan 8.360 nan 0.000 0.526 324 Y N -1.247 119.043 120.300 -0.016 0.000 2.441 324 Y HA 0.185 4.735 4.550 -0.001 0.000 0.288 324 Y C 1.771 177.663 175.900 -0.014 0.000 1.118 324 Y CA -0.215 57.876 58.100 -0.016 0.000 1.215 324 Y CB -0.362 38.083 38.460 -0.024 0.000 1.118 324 Y HN -0.018 nan 8.280 nan 0.000 0.547 325 L N -0.483 120.836 121.223 0.160 0.000 2.012 325 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 325 L C 0.882 177.791 176.870 0.066 0.000 1.073 325 L CA 1.412 56.302 54.840 0.083 0.000 0.748 325 L CB -0.071 42.022 42.059 0.057 0.000 0.891 325 L HN 0.101 nan 8.230 nan 0.000 0.431 326 V N -0.780 119.175 119.914 0.068 0.000 2.266 326 V HA 0.452 4.572 4.120 -0.000 0.000 0.266 326 V C -2.407 173.711 176.094 0.040 0.000 1.036 326 V CA -1.969 60.362 62.300 0.052 0.000 0.828 326 V CB 0.452 32.311 31.823 0.059 0.000 1.081 326 V HN -0.030 nan 8.190 nan 0.000 0.449 327 P HA 0.146 nan 4.420 nan 0.000 0.271 327 P C -0.426 176.874 177.300 0.000 0.000 1.238 327 P CA 0.213 63.306 63.100 -0.012 0.000 0.794 327 P CB 0.372 32.048 31.700 -0.040 0.000 0.959 328 D N -0.470 119.925 120.400 -0.008 0.000 2.622 328 D HA 0.045 4.685 4.640 -0.000 0.000 0.262 328 D C 0.375 176.674 176.300 -0.001 0.000 1.189 328 D CA -0.299 53.703 54.000 0.004 0.000 0.985 328 D CB 0.173 40.979 40.800 0.009 0.000 0.994 328 D HN 0.254 nan 8.370 nan 0.000 0.513 329 S N 1.095 116.796 115.700 0.001 0.000 2.325 329 S HA 0.309 4.779 4.470 -0.000 0.000 0.213 329 S C 1.457 176.062 174.600 0.008 0.000 1.031 329 S CA 0.650 58.850 58.200 0.000 0.000 0.984 329 S CB -0.646 62.554 63.200 0.001 0.000 0.939 329 S HN 0.871 nan 8.310 nan 0.000 0.438 330 G N 1.880 110.688 108.800 0.014 0.000 2.428 330 G HA2 0.118 4.078 3.960 -0.000 0.000 0.202 330 G HA3 0.118 4.078 3.960 -0.000 0.000 0.202 330 G C -3.044 171.867 174.900 0.019 0.000 1.247 330 G CA -0.490 44.621 45.100 0.018 0.000 1.020 330 G HN 0.698 nan 8.290 nan 0.000 0.529 331 P HA 0.579 nan 4.420 nan 0.000 0.296 331 P C -0.348 176.966 177.300 0.023 0.000 1.306 331 P CA 0.003 63.116 63.100 0.021 0.000 0.818 331 P CB 1.277 32.990 31.700 0.022 0.000 0.969 332 E N 0.281 120.494 120.200 0.021 0.000 8.696 332 E HA -0.191 4.159 4.350 -0.000 0.000 0.467 332 E C -0.482 176.131 176.600 0.021 0.000 1.149 332 E CA 0.483 56.897 56.400 0.023 0.000 1.997 332 E CB -0.773 28.944 29.700 0.029 0.000 1.008 332 E HN 0.596 nan 8.360 nan 0.000 0.278 333 Q N 0.166 119.978 119.800 0.020 0.000 2.317 333 Q HA 0.429 4.769 4.340 -0.000 0.000 0.229 333 Q C 0.327 176.339 176.000 0.020 0.000 0.984 333 Q CA -0.243 55.570 55.803 0.016 0.000 0.911 333 Q CB 1.111 29.857 28.738 0.013 0.000 1.217 333 Q HN 0.450 nan 8.270 nan 0.000 0.501 334 S N 0.041 115.748 115.700 0.011 0.000 2.592 334 S HA 0.141 4.611 4.470 -0.000 0.000 0.271 334 S C 0.903 175.514 174.600 0.019 0.000 1.326 334 S CA -0.461 57.745 58.200 0.011 0.000 1.024 334 S CB 0.375 63.569 63.200 -0.011 0.000 0.921 334 S HN 0.558 nan 8.310 nan 0.000 0.527 335 L N 4.295 125.541 121.223 0.038 0.000 2.141 335 L HA 0.003 4.342 4.340 -0.000 0.000 0.209 335 L C 2.271 179.136 176.870 -0.009 0.000 1.094 335 L CA 0.934 55.816 54.840 0.070 0.000 0.763 335 L CB -0.542 41.629 42.059 0.185 0.000 0.908 335 L HN 0.685 nan 8.230 nan 0.000 0.437 336 L N -0.151 121.030 121.223 -0.070 0.000 2.283 336 L HA -0.290 4.050 4.340 -0.000 0.000 0.217 336 L C 1.419 178.242 176.870 -0.079 0.000 1.104 336 L CA 1.124 55.893 54.840 -0.119 0.000 0.772 336 L CB -0.465 41.534 42.059 -0.100 0.000 0.899 336 L HN 0.433 nan 8.230 nan 0.000 0.439 337 D N -0.849 119.528 120.400 -0.038 0.000 2.369 337 D HA 0.203 4.842 4.640 -0.000 0.000 0.211 337 D C 0.631 176.928 176.300 -0.005 0.000 1.077 337 D CA 0.291 54.276 54.000 -0.024 0.000 0.842 337 D CB 0.599 41.389 40.800 -0.017 0.000 0.947 337 D HN 0.211 nan 8.370 nan 0.000 0.509 338 A N 0.987 123.815 122.820 0.013 0.000 2.324 338 A HA 0.510 4.830 4.320 -0.000 0.000 0.330 338 A C 0.574 178.184 177.584 0.044 0.000 1.165 338 A CA -0.552 51.504 52.037 0.031 0.000 0.813 338 A CB 0.959 19.988 19.000 0.048 0.000 1.197 338 A HN 0.060 nan 8.150 nan 0.000 0.484 339 S N 1.240 116.962 115.700 0.038 0.000 2.536 339 S HA -0.033 4.437 4.470 -0.000 0.000 0.290 339 S C 1.168 175.811 174.600 0.072 0.000 1.302 339 S CA 0.297 58.520 58.200 0.039 0.000 1.037 339 S CB -0.040 63.179 63.200 0.032 0.000 0.804 339 S HN 1.337 nan 8.310 nan 0.000 0.506 340 L N 1.723 122.982 121.223 0.061 0.000 1.978 340 L HA -0.187 4.153 4.340 -0.000 0.000 0.218 340 L C 2.805 179.748 176.870 0.121 0.000 1.075 340 L CA 2.410 57.310 54.840 0.100 0.000 0.767 340 L CB -0.856 41.242 42.059 0.065 0.000 0.890 340 L HN 0.906 nan 8.230 nan 0.000 0.434 341 R N -0.858 119.683 120.500 0.070 0.000 2.113 341 R HA -0.264 4.076 4.340 -0.000 0.000 0.244 341 R C 2.129 178.459 176.300 0.050 0.000 1.142 341 R CA 1.804 57.933 56.100 0.048 0.000 0.953 341 R CB -0.522 29.795 30.300 0.029 0.000 0.860 341 R HN 0.599 nan 8.270 nan 0.000 0.438 342 A N 0.500 123.360 122.820 0.066 0.000 1.865 342 A HA -0.223 4.096 4.320 -0.000 0.000 0.217 342 A C 1.995 179.630 177.584 0.086 0.000 1.191 342 A CA 1.513 53.588 52.037 0.063 0.000 0.623 342 A CB -0.958 18.084 19.000 0.070 0.000 0.826 342 A HN 0.515 nan 8.150 nan 0.000 0.444 343 F N 0.662 120.607 119.950 -0.010 0.000 2.043 343 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 343 F C 2.449 178.241 175.800 -0.013 0.000 1.121 343 F CA 2.382 60.375 58.000 -0.012 0.000 1.199 343 F CB -0.671 38.323 39.000 -0.011 0.000 0.968 343 F HN 0.136 nan 8.300 nan 0.000 0.478 344 V N 1.878 121.733 119.914 -0.099 0.000 2.255 344 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 344 V C 1.696 177.683 176.094 -0.179 0.000 1.051 344 V CA 1.991 64.179 62.300 -0.188 0.000 1.018 344 V CB -0.570 31.229 31.823 -0.039 0.000 0.641 344 V HN 0.398 nan 8.190 nan 0.000 0.445 345 R N 0.290 120.733 120.500 -0.095 0.000 4.263 345 R HA 0.209 4.549 4.340 -0.000 0.000 0.248 345 R C 0.715 176.964 176.300 -0.084 0.000 1.796 345 R CA 0.483 56.539 56.100 -0.075 0.000 1.518 345 R CB 0.170 30.448 30.300 -0.036 0.000 1.342 345 R HN 0.656 nan 8.270 nan 0.000 0.706 346 E N -0.101 120.013 120.200 -0.144 0.000 3.777 346 E HA -0.103 4.247 4.350 -0.000 0.000 0.247 346 E C 1.478 177.964 176.600 -0.191 0.000 1.256 346 E CA 0.702 57.017 56.400 -0.140 0.000 1.786 346 E CB -0.520 29.105 29.700 -0.124 0.000 1.722 346 E HN -0.039 nan 8.360 nan 0.000 0.810 347 V N 0.881 120.598 119.914 -0.328 0.000 2.277 347 V HA -0.143 3.977 4.120 -0.000 0.000 0.253 347 V C 1.790 177.770 176.094 -0.189 0.000 1.067 347 V CA 2.805 64.923 62.300 -0.303 0.000 1.047 347 V CB -1.422 30.141 31.823 -0.433 0.000 0.649 347 V HN 0.336 nan 8.190 nan 0.000 0.447 348 G N -0.264 108.435 108.800 -0.169 0.000 3.061 348 G HA2 0.441 4.401 3.960 -0.000 0.000 0.208 348 G HA3 0.441 4.401 3.960 -0.000 0.000 0.208 348 G C 0.570 175.418 174.900 -0.086 0.000 1.175 348 G CA 0.435 45.468 45.100 -0.112 0.000 0.812 348 G HN 1.152 nan 8.290 nan 0.000 0.523 349 A N -0.031 122.736 122.820 -0.089 0.000 2.327 349 A HA 0.501 4.821 4.320 -0.000 0.000 0.255 349 A C 1.395 178.946 177.584 -0.055 0.000 1.099 349 A CA -0.503 51.497 52.037 -0.061 0.000 0.801 349 A CB 0.208 19.176 19.000 -0.054 0.000 1.062 349 A HN 0.242 nan 8.150 nan 0.000 0.496 350 R N 0.535 121.013 120.500 -0.037 0.000 2.446 350 R HA -0.064 4.276 4.340 -0.000 0.000 0.209 350 R C 0.546 176.829 176.300 -0.029 0.000 1.175 350 R CA 0.761 56.843 56.100 -0.029 0.000 1.154 350 R CB -1.091 29.199 30.300 -0.016 0.000 0.824 350 R HN 0.728 nan 8.270 nan 0.000 0.485 351 S N -0.981 114.690 115.700 -0.048 0.000 2.507 351 S HA 0.084 4.554 4.470 -0.000 0.000 0.299 351 S C 1.313 175.863 174.600 -0.082 0.000 1.214 351 S CA -0.064 58.099 58.200 -0.062 0.000 1.137 351 S CB 1.529 64.673 63.200 -0.093 0.000 1.009 351 S HN 0.342 nan 8.310 nan 0.000 0.512 352 A N 4.278 127.067 122.820 -0.052 0.000 2.015 352 A HA 0.264 4.583 4.320 -0.000 0.000 0.219 352 A C 2.153 179.529 177.584 -0.348 0.000 1.163 352 A CA 1.246 53.231 52.037 -0.087 0.000 0.646 352 A CB -1.168 17.888 19.000 0.092 0.000 0.806 352 A HN 1.219 nan 8.150 nan 0.000 0.448 353 A N 0.743 123.399 122.820 -0.274 0.000 1.881 353 A HA 0.198 4.517 4.320 -0.000 0.000 0.208 353 A C -1.021 176.348 177.584 -0.359 0.000 1.264 353 A CA 0.818 52.635 52.037 -0.366 0.000 0.629 353 A CB -1.690 17.269 19.000 -0.068 0.000 0.906 353 A HN 0.459 nan 8.150 nan 0.000 0.476 354 P HA 0.449 nan 4.420 nan 0.000 0.270 354 P C 0.006 177.195 177.300 -0.184 0.000 1.223 354 P CA 0.950 63.967 63.100 -0.139 0.000 0.785 354 P CB 0.692 32.325 31.700 -0.112 0.000 0.923 355 G N -1.039 107.680 108.800 -0.135 0.000 2.326 355 G HA2 0.410 4.370 3.960 -0.000 0.000 0.413 355 G HA3 0.410 4.370 3.960 -0.000 0.000 0.413 355 G C 0.165 175.026 174.900 -0.065 0.000 1.444 355 G CA 0.422 45.449 45.100 -0.121 0.000 1.002 355 G HN 0.754 nan 8.290 nan 0.000 0.649 356 G N 0.228 109.010 108.800 -0.031 0.000 3.133 356 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.357 356 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.357 356 G C 2.141 177.079 174.900 0.064 0.000 1.229 356 G CA 2.619 47.731 45.100 0.020 0.000 1.018 356 G HN 2.475 nan 8.290 nan 0.000 0.635 357 G N -0.230 108.604 108.800 0.057 0.000 2.499 357 G HA2 0.003 3.963 3.960 -0.000 0.000 0.221 357 G HA3 0.003 3.963 3.960 -0.000 0.000 0.221 357 G C 2.016 176.963 174.900 0.079 0.000 1.109 357 G CA 2.171 47.317 45.100 0.076 0.000 0.749 357 G HN 1.108 nan 8.290 nan 0.000 0.568 358 S N -0.810 114.935 115.700 0.075 0.000 2.371 358 S HA -0.055 4.415 4.470 -0.000 0.000 0.219 358 S C 2.499 177.210 174.600 0.184 0.000 1.040 358 S CA 1.147 59.423 58.200 0.126 0.000 0.958 358 S CB -0.431 62.857 63.200 0.147 0.000 0.860 358 S HN 0.392 nan 8.310 nan 0.000 0.487 359 V N 2.247 122.263 119.914 0.171 0.000 2.594 359 V HA -0.024 4.096 4.120 -0.000 0.000 0.253 359 V C 2.230 178.411 176.094 0.146 0.000 1.069 359 V CA 2.040 64.453 62.300 0.189 0.000 1.082 359 V CB -1.270 30.616 31.823 0.104 0.000 0.680 359 V HN 0.504 nan 8.190 nan 0.000 0.469 360 A N 0.830 123.728 122.820 0.130 0.000 1.849 360 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 360 A C 2.623 180.266 177.584 0.098 0.000 1.202 360 A CA 3.092 55.207 52.037 0.129 0.000 0.629 360 A CB -1.547 17.535 19.000 0.138 0.000 0.834 360 A HN 1.139 nan 8.150 nan 0.000 0.447 361 A N -0.493 122.376 122.820 0.082 0.000 1.892 361 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 361 A C 2.538 180.138 177.584 0.027 0.000 1.188 361 A CA 2.774 54.838 52.037 0.045 0.000 0.631 361 A CB -1.132 17.887 19.000 0.032 0.000 0.822 361 A HN 1.236 nan 8.150 nan 0.000 0.447 362 A N -0.656 122.191 122.820 0.045 0.000 1.897 362 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 362 A C 2.193 179.796 177.584 0.033 0.000 1.181 362 A CA 1.650 53.690 52.037 0.006 0.000 0.620 362 A CB -0.970 18.036 19.000 0.009 0.000 0.821 362 A HN 0.535 nan 8.150 nan 0.000 0.443 363 V N 0.029 119.987 119.914 0.073 0.000 2.392 363 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 363 V C 2.917 179.037 176.094 0.044 0.000 1.059 363 V CA 1.967 64.306 62.300 0.066 0.000 1.051 363 V CB -1.466 30.410 31.823 0.089 0.000 0.658 363 V HN 0.581 nan 8.190 nan 0.000 0.455 364 A N 0.002 122.844 122.820 0.037 0.000 1.929 364 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 364 A C 2.378 179.956 177.584 -0.011 0.000 1.176 364 A CA 1.666 53.710 52.037 0.012 0.000 0.628 364 A CB -0.602 18.403 19.000 0.008 0.000 0.816 364 A HN 0.570 nan 8.150 nan 0.000 0.444 365 A N -0.741 122.069 122.820 -0.016 0.000 1.968 365 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 365 A C 1.914 179.481 177.584 -0.028 0.000 1.169 365 A CA 1.137 53.155 52.037 -0.032 0.000 0.638 365 A CB -0.354 18.613 19.000 -0.054 0.000 0.812 365 A HN 0.354 nan 8.150 nan 0.000 0.446 366 L N -0.123 121.090 121.223 -0.018 0.000 2.131 366 L HA -0.104 4.235 4.340 -0.000 0.000 0.210 366 L C 2.569 179.429 176.870 -0.017 0.000 1.092 366 L CA 1.868 56.700 54.840 -0.014 0.000 0.759 366 L CB -1.842 40.219 42.059 0.004 0.000 0.903 366 L HN 0.423 nan 8.230 nan 0.000 0.435 367 G N -0.807 107.986 108.800 -0.012 0.000 2.453 367 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.215 367 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.215 367 G C 1.738 176.611 174.900 -0.045 0.000 1.201 367 G CA 1.084 46.172 45.100 -0.021 0.000 0.784 367 G HN 0.483 nan 8.290 nan 0.000 0.545 368 A N 1.297 124.111 122.820 -0.010 0.000 1.873 368 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 368 A C 2.855 180.429 177.584 -0.016 0.000 1.193 368 A CA 2.803 54.878 52.037 0.063 0.000 0.629 368 A CB -1.050 18.019 19.000 0.115 0.000 0.826 368 A HN 1.001 nan 8.150 nan 0.000 0.447 369 A N -0.683 122.127 122.820 -0.015 0.000 1.940 369 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 369 A C 2.191 179.741 177.584 -0.057 0.000 1.176 369 A CA 1.625 53.652 52.037 -0.017 0.000 0.631 369 A CB -0.603 18.386 19.000 -0.018 0.000 0.814 369 A HN 0.491 nan 8.150 nan 0.000 0.446 370 L N -0.889 120.284 121.223 -0.084 0.000 2.017 370 L HA -0.216 4.123 4.340 -0.000 0.000 0.208 370 L C 3.120 179.877 176.870 -0.188 0.000 1.073 370 L CA 1.316 56.094 54.840 -0.103 0.000 0.745 370 L CB -0.454 41.555 42.059 -0.084 0.000 0.894 370 L HN 0.431 nan 8.230 nan 0.000 0.432 371 A N -0.991 121.619 122.820 -0.351 0.000 1.902 371 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 371 A C 1.777 179.035 177.584 -0.543 0.000 1.181 371 A CA 1.310 52.949 52.037 -0.663 0.000 0.623 371 A CB -0.652 17.439 19.000 -1.515 0.000 0.818 371 A HN 0.408 nan 8.150 nan 0.000 0.443 375 G N 0.852 109.608 108.800 -0.074 0.000 2.446 375 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 375 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 375 G C 0.705 175.614 174.900 0.015 0.000 1.168 375 G CA 1.076 46.153 45.100 -0.039 0.000 0.771 375 G HN 0.583 nan 8.290 nan 0.000 0.551 379 Y N 1.320 121.665 120.300 0.075 0.000 2.630 379 Y HA 0.697 5.247 4.550 -0.000 0.000 0.337 379 Y C 1.102 177.100 175.900 0.163 0.000 1.051 379 Y CA 0.811 58.980 58.100 0.116 0.000 1.121 379 Y CB 1.213 39.734 38.460 0.103 0.000 1.299 379 Y HN 0.291 nan 8.280 nan 0.000 0.498 380 G N 2.798 110.991 108.800 -1.011 0.000 2.602 380 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.310 380 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.310 380 G C -0.082 174.682 174.900 -0.226 0.000 1.183 380 G CA 0.353 45.109 45.100 -0.573 0.000 0.979 380 G HN 0.991 nan 8.290 nan 0.000 0.545 381 R N 1.509 121.948 120.500 -0.102 0.000 4.048 381 R HA -0.142 4.198 4.340 -0.000 0.000 0.110 381 R C 1.364 177.569 176.300 -0.158 0.000 0.432 381 R CA 1.015 57.053 56.100 -0.103 0.000 0.770 381 R CB -0.093 30.157 30.300 -0.083 0.000 1.125 381 R HN 0.761 nan 8.270 nan 0.000 0.220 382 R N 3.143 123.554 120.500 -0.149 0.000 2.767 382 R HA -0.265 4.075 4.340 -0.000 0.000 0.264 382 R C 1.081 177.237 176.300 -0.240 0.000 0.987 382 R CA 1.742 57.751 56.100 -0.151 0.000 1.114 382 R CB 0.321 30.557 30.300 -0.107 0.000 0.976 382 R HN 0.984 nan 8.270 nan 0.000 0.437 383 Q N 0.465 120.142 119.800 -0.205 0.000 7.504 383 Q HA -0.236 4.104 4.340 -0.000 0.000 0.351 383 Q C 0.016 175.854 176.000 -0.270 0.000 1.218 383 Q CA 1.515 57.164 55.803 -0.257 0.000 0.535 383 Q CB -1.822 26.643 28.738 -0.455 0.000 0.214 383 Q HN 0.642 nan 8.270 nan 0.000 0.881 384 F N 2.011 121.827 119.950 -0.224 0.000 2.773 384 F HA 0.189 4.716 4.527 -0.000 0.000 0.304 384 F C 0.960 176.464 175.800 -0.493 0.000 1.129 384 F CA -0.010 57.758 58.000 -0.387 0.000 1.378 384 F CB 0.240 39.127 39.000 -0.187 0.000 1.095 384 F HN 0.185 nan 8.300 nan 0.000 0.565 385 D N -0.086 120.181 120.400 -0.221 0.000 2.133 385 D HA -0.259 4.381 4.640 -0.000 0.000 0.192 385 D C 2.054 178.290 176.300 -0.108 0.000 1.001 385 D CA 1.667 55.593 54.000 -0.123 0.000 0.844 385 D CB -0.612 40.159 40.800 -0.049 0.000 0.944 385 D HN 0.469 nan 8.370 nan 0.000 0.447 386 H N -0.381 118.733 119.070 0.073 0.000 2.560 386 H HA 0.007 4.563 4.556 -0.000 0.000 0.283 386 H C 1.350 176.711 175.328 0.055 0.000 1.028 386 H CA 0.566 56.647 56.048 0.055 0.000 1.221 386 H CB -0.213 29.581 29.762 0.053 0.000 1.363 386 H HN 0.244 nan 8.280 nan 0.000 0.594 387 L N 0.122 121.320 121.223 -0.042 0.000 2.858 387 L HA 0.108 4.448 4.340 -0.000 0.000 0.251 387 L C 1.753 178.632 176.870 0.014 0.000 1.149 387 L CA 0.090 54.942 54.840 0.019 0.000 0.955 387 L CB 0.520 42.568 42.059 -0.018 0.000 1.289 387 L HN 0.053 nan 8.230 nan 0.000 0.542 388 D N 0.354 120.765 120.400 0.018 0.000 2.133 388 D HA -0.230 4.410 4.640 -0.000 0.000 0.195 388 D C 2.254 178.572 176.300 0.029 0.000 0.997 388 D CA 1.940 55.980 54.000 0.066 0.000 0.840 388 D CB 0.295 41.123 40.800 0.047 0.000 0.947 388 D HN 0.326 nan 8.370 nan 0.000 0.452 389 S N -0.843 114.863 115.700 0.010 0.000 2.359 389 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 389 S C 1.348 175.919 174.600 -0.048 0.000 1.035 389 S CA 1.281 59.470 58.200 -0.019 0.000 1.018 389 S CB -1.404 61.798 63.200 0.002 0.000 0.876 389 S HN 0.359 nan 8.310 nan 0.000 0.448 393 R N 1.154 121.502 120.500 -0.254 0.000 2.119 393 R HA -0.001 4.339 4.340 -0.000 0.000 0.222 393 R C 1.239 177.478 176.300 -0.102 0.000 1.088 393 R CA 1.549 57.563 56.100 -0.144 0.000 0.984 393 R CB 0.256 30.505 30.300 -0.085 0.000 0.884 393 R HN 0.093 nan 8.270 nan 0.000 0.447 394 L N -3.023 118.153 121.223 -0.078 0.000 2.749 394 L HA 0.313 4.653 4.340 -0.000 0.000 0.242 394 L C 1.532 178.473 176.870 0.118 0.000 1.103 394 L CA 0.437 55.281 54.840 0.008 0.000 0.906 394 L CB -0.421 41.678 42.059 0.066 0.000 1.228 394 L HN -0.051 nan 8.230 nan 0.000 0.517 395 I N 1.241 121.847 120.570 0.059 0.000 2.194 395 I HA -0.173 3.997 4.170 -0.000 0.000 0.246 395 I C -0.259 175.972 176.117 0.189 0.000 1.093 395 I CA 1.568 62.947 61.300 0.133 0.000 1.355 395 I CB -1.236 36.797 38.000 0.056 0.000 1.046 395 I HN 0.265 nan 8.210 nan 0.000 0.413 396 P HA -0.134 nan 4.420 nan 0.000 0.208 396 P C -1.243 176.127 177.300 0.116 0.000 1.195 396 P CA 1.930 65.121 63.100 0.153 0.000 0.927 396 P CB -1.479 30.290 31.700 0.116 0.000 0.778 397 P HA -0.232 nan 4.420 nan 0.000 0.219 397 P C 1.459 178.672 177.300 -0.146 0.000 1.153 397 P CA 1.714 64.734 63.100 -0.134 0.000 0.865 397 P CB -0.655 30.869 31.700 -0.292 0.000 0.788 398 F N -1.316 118.640 119.950 0.010 0.000 2.060 398 F HA -0.172 4.355 4.527 -0.000 0.000 0.295 398 F C 3.051 178.863 175.800 0.021 0.000 1.120 398 F CA 1.434 59.431 58.000 -0.004 0.000 1.205 398 F CB -1.198 37.803 39.000 0.001 0.000 0.986 398 F HN 0.037 nan 8.300 nan 0.000 0.470 399 H N 0.456 119.638 119.070 0.185 0.000 2.289 399 H HA -0.245 4.311 4.556 -0.000 0.000 0.294 399 H C 2.155 177.504 175.328 0.034 0.000 1.095 399 H CA 1.842 57.938 56.048 0.081 0.000 1.256 399 H CB -0.240 29.561 29.762 0.065 0.000 1.359 399 H HN 0.293 nan 8.280 nan 0.000 0.487 400 A N 1.117 123.959 122.820 0.035 0.000 1.873 400 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 400 A C 2.745 180.283 177.584 -0.076 0.000 1.186 400 A CA 1.807 53.812 52.037 -0.053 0.000 0.616 400 A CB -1.094 17.920 19.000 0.023 0.000 0.823 400 A HN 0.604 nan 8.150 nan 0.000 0.442 401 A N -0.469 122.320 122.820 -0.053 0.000 1.902 401 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 401 A C 2.467 180.016 177.584 -0.059 0.000 1.181 401 A CA 2.264 54.263 52.037 -0.065 0.000 0.623 401 A CB -1.061 17.887 19.000 -0.087 0.000 0.818 401 A HN 0.687 nan 8.150 nan 0.000 0.443 402 S N 0.071 115.747 115.700 -0.041 0.000 2.369 402 S HA -0.188 4.282 4.470 -0.000 0.000 0.225 402 S C 2.203 176.742 174.600 -0.100 0.000 1.043 402 S CA 2.242 60.408 58.200 -0.056 0.000 1.074 402 S CB -0.668 62.502 63.200 -0.050 0.000 0.962 402 S HN 1.029 nan 8.310 nan 0.000 0.433 403 A N 0.623 123.349 122.820 -0.157 0.000 1.978 403 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 403 A C 2.225 179.746 177.584 -0.105 0.000 1.170 403 A CA 1.877 53.824 52.037 -0.151 0.000 0.636 403 A CB -0.952 17.927 19.000 -0.201 0.000 0.810 403 A HN 0.792 nan 8.150 nan 0.000 0.448 404 Q N -0.609 119.137 119.800 -0.090 0.000 2.119 404 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 404 Q C 1.877 177.844 176.000 -0.055 0.000 0.972 404 Q CA 1.307 57.071 55.803 -0.066 0.000 0.847 404 Q CB -0.170 28.532 28.738 -0.059 0.000 0.903 404 Q HN 0.708 nan 8.270 nan 0.000 0.433 405 L N -0.631 120.557 121.223 -0.058 0.000 2.131 405 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 405 L C 2.397 179.234 176.870 -0.054 0.000 1.087 405 L CA 1.153 55.965 54.840 -0.047 0.000 0.767 405 L CB -0.407 41.625 42.059 -0.044 0.000 0.917 405 L HN 0.163 nan 8.230 nan 0.000 0.441 406 T N -0.995 113.515 114.554 -0.074 0.000 2.759 406 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 406 T C 2.109 176.756 174.700 -0.087 0.000 1.042 406 T CA 1.805 63.847 62.100 -0.096 0.000 1.140 406 T CB -0.217 68.586 68.868 -0.109 0.000 0.864 406 T HN 0.419 nan 8.240 nan 0.000 0.455 407 S N 0.757 116.415 115.700 -0.070 0.000 2.453 407 S HA 0.069 4.538 4.470 -0.000 0.000 0.231 407 S C 1.956 176.536 174.600 -0.034 0.000 1.005 407 S CA 0.400 58.568 58.200 -0.053 0.000 0.949 407 S CB -0.531 62.640 63.200 -0.047 0.000 0.774 407 S HN 0.492 nan 8.310 nan 0.000 0.510 408 L N 1.163 122.369 121.223 -0.028 0.000 2.362 408 L HA -0.018 4.322 4.340 -0.000 0.000 0.219 408 L C 2.385 179.256 176.870 0.003 0.000 1.134 408 L CA 0.440 55.277 54.840 -0.006 0.000 0.807 408 L CB -0.546 41.513 42.059 -0.000 0.000 0.927 408 L HN 0.244 nan 8.230 nan 0.000 0.447 409 V N -0.127 119.776 119.914 -0.018 0.000 2.324 409 V HA -0.344 3.775 4.120 -0.000 0.000 0.250 409 V C 2.069 178.173 176.094 0.017 0.000 1.060 409 V CA 2.020 64.315 62.300 -0.008 0.000 1.042 409 V CB -0.489 31.283 31.823 -0.085 0.000 0.650 409 V HN 0.457 nan 8.190 nan 0.000 0.450 410 D N 0.318 120.719 120.400 0.002 0.000 2.096 410 D HA -0.095 4.544 4.640 -0.000 0.000 0.200 410 D C 2.263 178.584 176.300 0.035 0.000 0.980 410 D CA 1.759 55.769 54.000 0.017 0.000 0.860 410 D CB -0.947 39.855 40.800 0.003 0.000 1.005 410 D HN 0.328 nan 8.370 nan 0.000 0.449 411 A N 0.998 123.834 122.820 0.027 0.000 1.913 411 A HA -0.412 3.908 4.320 -0.000 0.000 0.236 411 A C 1.952 179.571 177.584 0.057 0.000 1.760 411 A CA 3.229 55.288 52.037 0.037 0.000 0.740 411 A CB -1.524 17.493 19.000 0.028 0.000 0.847 411 A HN 0.416 nan 8.150 nan 0.000 0.508 412 D N -1.066 119.370 120.400 0.059 0.000 2.092 412 D HA -0.017 4.623 4.640 -0.000 0.000 0.193 412 D C 2.043 178.408 176.300 0.108 0.000 0.994 412 D CA 2.356 56.403 54.000 0.078 0.000 0.828 412 D CB -0.347 40.491 40.800 0.064 0.000 0.963 412 D HN 0.505 nan 8.370 nan 0.000 0.450 413 A N -0.007 122.870 122.820 0.095 0.000 1.930 413 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 413 A C 2.292 179.967 177.584 0.152 0.000 1.175 413 A CA 1.535 53.647 52.037 0.125 0.000 0.627 413 A CB -0.624 18.431 19.000 0.091 0.000 0.815 413 A HN 0.231 nan 8.150 nan 0.000 0.443 414 R N -0.457 120.104 120.500 0.103 0.000 2.070 414 R HA -0.093 4.246 4.340 -0.000 0.000 0.232 414 R C 2.440 178.793 176.300 0.088 0.000 1.138 414 R CA 1.450 57.599 56.100 0.082 0.000 0.936 414 R CB -0.494 29.839 30.300 0.055 0.000 0.839 414 R HN 0.437 nan 8.270 nan 0.000 0.429 415 A N 0.850 123.727 122.820 0.095 0.000 1.870 415 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 415 A C 2.057 179.705 177.584 0.108 0.000 1.224 415 A CA 1.945 54.036 52.037 0.090 0.000 0.650 415 A CB -1.192 17.868 19.000 0.100 0.000 0.836 415 A HN 0.558 nan 8.150 nan 0.000 0.454 416 F N 0.875 120.835 119.950 0.017 0.000 2.091 416 F HA -0.180 4.346 4.527 -0.001 0.000 0.299 416 F C 2.521 178.327 175.800 0.011 0.000 1.103 416 F CA 1.641 59.650 58.000 0.015 0.000 1.228 416 F CB -0.502 38.509 39.000 0.019 0.000 0.984 416 F HN 0.252 nan 8.300 nan 0.000 0.477 417 A N -0.130 122.709 122.820 0.032 0.000 1.969 417 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 417 A C 2.331 179.849 177.584 -0.109 0.000 1.169 417 A CA 1.435 53.436 52.037 -0.060 0.000 0.635 417 A CB -1.373 17.662 19.000 0.058 0.000 0.810 417 A HN 0.498 nan 8.150 nan 0.000 0.445 418 A N -1.325 121.455 122.820 -0.066 0.000 1.930 418 A HA -0.078 4.241 4.320 -0.000 0.000 0.215 418 A C 2.236 179.759 177.584 -0.100 0.000 1.176 418 A CA 1.378 53.379 52.037 -0.060 0.000 0.632 418 A CB -1.127 17.860 19.000 -0.022 0.000 0.819 418 A HN 0.539 nan 8.150 nan 0.000 0.445 419 C N -1.017 118.199 119.300 -0.140 0.000 2.429 419 C HA -0.068 4.392 4.460 -0.000 0.000 0.277 419 C C 2.606 177.459 174.990 -0.229 0.000 1.262 419 C CA 1.258 60.177 59.018 -0.165 0.000 1.733 419 C CB -1.295 26.348 27.740 -0.162 0.000 2.010 419 C HN 0.723 nan 8.230 nan 0.000 0.483 420 L N 1.606 122.613 121.223 -0.360 0.000 2.056 420 L HA 0.100 4.440 4.340 -0.000 0.000 0.207 420 L C 2.359 179.123 176.870 -0.177 0.000 1.078 420 L CA 2.569 57.206 54.840 -0.338 0.000 0.749 420 L CB -1.270 40.508 42.059 -0.470 0.000 0.901 420 L HN 0.277 nan 8.230 nan 0.000 0.433 421 G N -0.786 107.931 108.800 -0.138 0.000 2.442 421 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 421 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 421 G C 1.550 176.409 174.900 -0.068 0.000 1.141 421 G CA 0.924 45.975 45.100 -0.082 0.000 0.763 421 G HN 0.684 nan 8.290 nan 0.000 0.554 422 A N 1.066 123.841 122.820 -0.075 0.000 1.835 422 A HA 0.031 4.351 4.320 -0.000 0.000 0.215 422 A C 2.372 179.920 177.584 -0.060 0.000 1.199 422 A CA 1.340 53.341 52.037 -0.060 0.000 0.615 422 A CB -0.572 18.392 19.000 -0.060 0.000 0.838 422 A HN 0.314 nan 8.150 nan 0.000 0.444 423 I N -0.323 120.202 120.570 -0.076 0.000 2.143 423 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 423 I C 2.162 178.249 176.117 -0.051 0.000 1.068 423 I CA 2.122 63.383 61.300 -0.065 0.000 1.326 423 I CB -0.205 37.746 38.000 -0.082 0.000 1.028 423 I HN 0.318 nan 8.210 nan 0.000 0.412 424 K N 1.255 121.621 120.400 -0.056 0.000 2.630 424 K HA 0.090 4.410 4.320 -0.000 0.000 0.204 424 K C 0.028 176.609 176.600 -0.031 0.000 1.024 424 K CA 0.254 56.517 56.287 -0.041 0.000 1.157 424 K CB -0.294 32.180 32.500 -0.044 0.000 0.899 424 K HN 0.179 nan 8.250 nan 0.000 0.501 425 L N 1.350 122.555 121.223 -0.031 0.000 2.296 425 L HA 0.296 4.636 4.340 -0.000 0.000 0.286 425 L C -1.634 175.224 176.870 -0.020 0.000 1.023 425 L CA -2.360 52.465 54.840 -0.025 0.000 0.812 425 L CB 1.302 43.345 42.059 -0.027 0.000 1.223 425 L HN 0.122 nan 8.230 nan 0.000 0.421 426 P HA -0.232 nan 4.420 nan 0.000 0.241 426 P C -0.618 176.675 177.300 -0.013 0.000 0.811 426 P CA 1.196 64.288 63.100 -0.013 0.000 1.119 426 P CB 0.150 31.844 31.700 -0.010 0.000 0.732 427 K N -4.192 116.201 120.400 -0.011 0.000 9.935 427 K HA -0.045 4.275 4.320 -0.000 0.000 1.120 427 K C -0.157 176.438 176.600 -0.009 0.000 0.941 427 K CA 0.045 56.325 56.287 -0.011 0.000 0.774 427 K CB -0.808 31.686 32.500 -0.011 0.000 1.424 427 K HN 0.359 nan 8.250 nan 0.000 0.593 428 N N -1.730 116.965 118.700 -0.008 0.000 1.900 428 N HA -0.177 4.562 4.740 -0.000 0.000 0.204 428 N C -0.433 175.073 175.510 -0.006 0.000 1.591 428 N CA 1.870 54.916 53.050 -0.007 0.000 3.865 428 N CB -0.972 37.512 38.487 -0.006 0.000 0.830 428 N HN 0.779 nan 8.380 nan 0.000 0.485 429 T N 2.322 116.872 114.554 -0.006 0.000 2.910 429 T HA 0.368 4.717 4.350 -0.000 0.000 0.293 429 T C -1.342 173.355 174.700 -0.005 0.000 1.015 429 T CA -0.991 61.106 62.100 -0.005 0.000 1.094 429 T CB 1.985 70.850 68.868 -0.004 0.000 0.968 429 T HN 0.039 nan 8.240 nan 0.000 0.521 430 P HA -0.161 nan 4.420 nan 0.000 0.216 430 P C 1.225 178.522 177.300 -0.005 0.000 1.150 430 P CA 1.258 64.356 63.100 -0.005 0.000 0.843 430 P CB 0.163 31.861 31.700 -0.004 0.000 0.787 431 E N 0.424 120.621 120.200 -0.004 0.000 2.085 431 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 431 E C 1.058 177.654 176.600 -0.006 0.000 0.994 431 E CA 0.897 57.295 56.400 -0.004 0.000 0.801 431 E CB -0.029 29.669 29.700 -0.004 0.000 0.743 431 E HN 0.230 nan 8.360 nan 0.000 0.453 432 E N -0.662 119.535 120.200 -0.006 0.000 3.588 432 E HA 0.082 4.432 4.350 -0.000 0.000 0.213 432 E C 0.285 176.879 176.600 -0.009 0.000 1.168 432 E CA -0.240 56.156 56.400 -0.008 0.000 1.254 432 E CB 0.499 30.195 29.700 -0.008 0.000 1.302 432 E HN -0.027 nan 8.360 nan 0.000 0.429 433 R N 0.327 120.821 120.500 -0.009 0.000 2.493 433 R HA 0.111 4.451 4.340 -0.000 0.000 0.177 433 R C 0.681 176.974 176.300 -0.011 0.000 0.861 433 R CA 0.763 56.857 56.100 -0.010 0.000 1.083 433 R CB -0.100 30.195 30.300 -0.009 0.000 1.328 433 R HN 0.115 nan 8.270 nan 0.000 0.615 434 D N 0.403 120.798 120.400 -0.009 0.000 2.392 434 D HA -0.024 4.616 4.640 -0.000 0.000 0.228 434 D C 1.224 177.518 176.300 -0.010 0.000 1.003 434 D CA 0.654 54.649 54.000 -0.009 0.000 0.917 434 D CB 0.254 41.050 40.800 -0.007 0.000 0.890 434 D HN 0.197 nan 8.370 nan 0.000 0.532 435 R N -0.250 120.244 120.500 -0.010 0.000 2.257 435 R HA 0.158 4.497 4.340 -0.000 0.000 0.195 435 R C 2.069 178.361 176.300 -0.013 0.000 0.921 435 R CA -0.201 55.893 56.100 -0.010 0.000 1.069 435 R CB 0.467 30.762 30.300 -0.008 0.000 1.115 435 R HN -0.132 nan 8.270 nan 0.000 0.571 436 R N -0.049 120.443 120.500 -0.015 0.000 2.073 436 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 436 R C 1.638 177.925 176.300 -0.022 0.000 1.134 436 R CA 2.122 58.211 56.100 -0.019 0.000 0.952 436 R CB -0.631 29.658 30.300 -0.018 0.000 0.850 436 R HN 0.126 nan 8.270 nan 0.000 0.433 437 T N 0.341 114.883 114.554 -0.020 0.000 2.635 437 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 437 T C 2.031 176.716 174.700 -0.026 0.000 1.040 437 T CA 1.769 63.855 62.100 -0.023 0.000 1.156 437 T CB -0.632 68.225 68.868 -0.020 0.000 0.863 437 T HN 0.615 nan 8.240 nan 0.000 0.430 438 C N 1.528 120.815 119.300 -0.021 0.000 2.413 438 C HA 0.104 4.564 4.460 -0.000 0.000 0.277 438 C C 2.958 177.934 174.990 -0.023 0.000 1.265 438 C CA 1.105 60.110 59.018 -0.021 0.000 1.752 438 C CB -1.592 26.140 27.740 -0.014 0.000 1.998 438 C HN 0.614 nan 8.230 nan 0.000 0.489 439 A N -0.079 122.727 122.820 -0.023 0.000 1.975 439 A HA 0.116 4.435 4.320 -0.000 0.000 0.215 439 A C 2.039 179.603 177.584 -0.033 0.000 1.170 439 A CA 1.281 53.303 52.037 -0.025 0.000 0.656 439 A CB -0.690 18.297 19.000 -0.022 0.000 0.821 439 A HN 0.620 nan 8.150 nan 0.000 0.449 440 L N -0.345 120.855 121.223 -0.037 0.000 2.046 440 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 440 L C 2.292 179.131 176.870 -0.051 0.000 1.077 440 L CA 2.528 57.340 54.840 -0.045 0.000 0.747 440 L CB -0.993 41.040 42.059 -0.043 0.000 0.896 440 L HN 0.401 nan 8.230 nan 0.000 0.432 441 Q N -0.131 119.638 119.800 -0.053 0.000 2.030 441 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 441 Q C 2.287 178.241 176.000 -0.077 0.000 0.986 441 Q CA 1.891 57.651 55.803 -0.071 0.000 0.843 441 Q CB -0.387 28.311 28.738 -0.067 0.000 0.904 441 Q HN 0.502 nan 8.270 nan 0.000 0.420 442 E N -0.698 119.470 120.200 -0.053 0.000 2.265 442 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 442 E C 1.503 178.083 176.600 -0.033 0.000 0.996 442 E CA 0.879 57.256 56.400 -0.038 0.000 0.832 442 E CB -0.254 29.435 29.700 -0.019 0.000 0.756 442 E HN 0.472 nan 8.360 nan 0.000 0.491 443 G N 1.658 110.434 108.800 -0.040 0.000 2.705 443 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.214 443 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.214 443 G C 1.639 176.518 174.900 -0.035 0.000 1.321 443 G CA 1.089 46.166 45.100 -0.038 0.000 0.826 443 G HN 0.266 nan 8.290 nan 0.000 0.595 444 L N -0.094 121.101 121.223 -0.047 0.000 2.082 444 L HA -0.308 4.032 4.340 -0.000 0.000 0.223 444 L C 2.989 179.824 176.870 -0.058 0.000 1.086 444 L CA 1.972 56.783 54.840 -0.047 0.000 0.793 444 L CB -0.794 41.222 42.059 -0.071 0.000 0.896 444 L HN 0.219 nan 8.230 nan 0.000 0.441 445 R N 0.015 120.458 120.500 -0.095 0.000 2.191 445 R HA -0.304 4.036 4.340 -0.000 0.000 0.248 445 R C 2.387 178.692 176.300 0.009 0.000 1.127 445 R CA 2.687 58.736 56.100 -0.086 0.000 0.943 445 R CB -0.564 29.703 30.300 -0.056 0.000 0.891 445 R HN 0.590 nan 8.270 nan 0.000 0.439 446 Q N -0.816 118.995 119.800 0.018 0.000 2.020 446 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 446 Q C 2.231 178.259 176.000 0.048 0.000 0.982 446 Q CA 1.504 57.332 55.803 0.040 0.000 0.838 446 Q CB -0.244 28.514 28.738 0.033 0.000 0.899 446 Q HN 0.430 nan 8.270 nan 0.000 0.423 447 A N 0.575 123.419 122.820 0.040 0.000 1.927 447 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 447 A C 2.365 179.984 177.584 0.059 0.000 1.185 447 A CA 1.895 53.968 52.037 0.060 0.000 0.639 447 A CB -0.993 18.041 19.000 0.057 0.000 0.820 447 A HN 0.237 nan 8.150 nan 0.000 0.451 448 V N -0.496 119.445 119.914 0.044 0.000 2.244 448 V HA -0.205 3.915 4.120 -0.000 0.000 0.244 448 V C 3.069 179.213 176.094 0.083 0.000 1.042 448 V CA 1.949 64.285 62.300 0.059 0.000 1.006 448 V CB -1.255 30.602 31.823 0.056 0.000 0.641 448 V HN 0.652 nan 8.190 nan 0.000 0.446 449 A N -0.213 122.667 122.820 0.100 0.000 1.997 449 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 449 A C 2.444 180.069 177.584 0.067 0.000 1.172 449 A CA 2.396 54.493 52.037 0.100 0.000 0.645 449 A CB -0.797 18.265 19.000 0.104 0.000 0.813 449 A HN 0.531 nan 8.150 nan 0.000 0.454 450 V N -0.351 119.599 119.914 0.060 0.000 2.255 450 V HA -0.056 4.063 4.120 -0.000 0.000 0.243 450 V C -0.275 175.846 176.094 0.046 0.000 1.038 450 V CA 2.033 64.362 62.300 0.049 0.000 1.008 450 V CB -1.342 30.510 31.823 0.049 0.000 0.645 450 V HN 0.390 nan 8.190 nan 0.000 0.449 451 P HA -0.181 nan 4.420 nan 0.000 0.216 451 P C 2.218 179.543 177.300 0.042 0.000 1.157 451 P CA 1.921 65.052 63.100 0.052 0.000 0.880 451 P CB -0.299 31.436 31.700 0.059 0.000 0.791 452 L N -0.270 120.980 121.223 0.045 0.000 1.990 452 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 452 L C 2.089 178.975 176.870 0.026 0.000 1.072 452 L CA 2.262 57.126 54.840 0.040 0.000 0.755 452 L CB -1.238 40.856 42.059 0.059 0.000 0.889 452 L HN -0.040 nan 8.230 nan 0.000 0.432 453 K N 0.111 120.526 120.400 0.025 0.000 2.001 453 K HA -0.230 4.090 4.320 -0.000 0.000 0.214 453 K C 2.177 178.777 176.600 0.001 0.000 1.050 453 K CA 1.798 58.091 56.287 0.010 0.000 0.934 453 K CB -1.110 31.397 32.500 0.011 0.000 0.718 453 K HN 0.385 nan 8.250 nan 0.000 0.443 454 L N 0.796 122.023 121.223 0.007 0.000 2.103 454 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 454 L C 2.015 178.881 176.870 -0.008 0.000 1.080 454 L CA 2.522 57.363 54.840 0.001 0.000 0.764 454 L CB -1.054 41.016 42.059 0.020 0.000 0.890 454 L HN 0.192 nan 8.230 nan 0.000 0.435 455 A N -0.732 122.090 122.820 0.005 0.000 1.823 455 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 455 A C 1.998 179.575 177.584 -0.010 0.000 1.225 455 A CA 1.240 53.279 52.037 0.003 0.000 0.604 455 A CB -0.838 18.172 19.000 0.018 0.000 0.878 455 A HN 0.517 nan 8.150 nan 0.000 0.450 456 E N -0.576 119.622 120.200 -0.004 0.000 2.196 456 E HA -0.324 4.026 4.350 -0.000 0.000 0.222 456 E C 2.146 178.724 176.600 -0.037 0.000 1.072 456 E CA 2.258 58.651 56.400 -0.012 0.000 0.902 456 E CB -1.156 28.538 29.700 -0.010 0.000 0.780 456 E HN 0.698 nan 8.360 nan 0.000 0.467 457 T N 0.296 114.821 114.554 -0.048 0.000 2.737 457 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 457 T C 2.027 176.649 174.700 -0.129 0.000 1.038 457 T CA 1.638 63.693 62.100 -0.076 0.000 1.144 457 T CB -0.309 68.521 68.868 -0.064 0.000 0.866 457 T HN 0.068 nan 8.240 nan 0.000 0.434 458 V N 1.252 121.080 119.914 -0.145 0.000 2.515 458 V HA -0.032 4.088 4.120 -0.000 0.000 0.250 458 V C 2.687 178.527 176.094 -0.422 0.000 1.058 458 V CA 2.378 64.518 62.300 -0.267 0.000 1.064 458 V CB -0.778 30.910 31.823 -0.224 0.000 0.675 458 V HN 0.703 nan 8.190 nan 0.000 0.461 459 S N -1.174 114.403 115.700 -0.206 0.000 2.474 459 S HA -0.213 4.257 4.470 -0.000 0.000 0.235 459 S C 1.856 176.446 174.600 -0.016 0.000 0.997 459 S CA 1.749 59.926 58.200 -0.038 0.000 0.949 459 S CB -0.238 63.021 63.200 0.099 0.000 0.766 459 S HN 0.783 nan 8.310 nan 0.000 0.517 460 Q N -0.514 119.217 119.800 -0.115 0.000 2.331 460 Q HA 0.161 4.501 4.340 -0.000 0.000 0.203 460 Q C 1.371 177.277 176.000 -0.157 0.000 0.944 460 Q CA 0.563 56.309 55.803 -0.094 0.000 0.892 460 Q CB 0.052 28.724 28.738 -0.109 0.000 0.983 460 Q HN 0.413 nan 8.270 nan 0.000 0.482 461 L N -1.288 119.756 121.223 -0.298 0.000 2.313 461 L HA -0.071 4.269 4.340 -0.000 0.000 0.214 461 L C 1.358 178.134 176.870 -0.156 0.000 1.119 461 L CA 1.200 55.804 54.840 -0.394 0.000 0.809 461 L CB -1.016 40.774 42.059 -0.449 0.000 0.933 461 L HN 0.331 nan 8.230 nan 0.000 0.449 462 W N 1.451 122.742 121.300 -0.017 0.000 2.289 462 W HA -0.277 4.383 4.660 -0.000 0.000 0.331 462 W C 0.074 176.608 176.519 0.025 0.000 1.283 462 W CA 1.315 58.674 57.345 0.023 0.000 1.252 462 W CB -1.762 27.698 29.460 0.001 0.000 1.153 462 W HN 0.152 nan 8.180 nan 0.000 0.467 463 P HA -0.167 nan 4.420 nan 0.000 0.217 463 P C 1.177 178.547 177.300 0.118 0.000 1.150 463 P CA 2.783 65.967 63.100 0.140 0.000 0.832 463 P CB -0.418 31.327 31.700 0.075 0.000 0.787 464 A N -0.158 122.702 122.820 0.066 0.000 1.930 464 A HA -0.132 4.187 4.320 -0.000 0.000 0.217 464 A C 2.246 179.997 177.584 0.278 0.000 1.175 464 A CA 1.245 53.327 52.037 0.076 0.000 0.627 464 A CB -1.636 17.293 19.000 -0.118 0.000 0.815 464 A HN 0.164 nan 8.150 nan 0.000 0.443 465 L N -0.331 121.141 121.223 0.415 0.000 2.042 465 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 465 L C 2.499 179.531 176.870 0.269 0.000 1.076 465 L CA 2.690 57.821 54.840 0.486 0.000 0.749 465 L CB -0.583 41.779 42.059 0.505 0.000 0.893 465 L HN 0.513 nan 8.230 nan 0.000 0.432 466 Q N -0.176 119.767 119.800 0.238 0.000 2.084 466 Q HA -0.275 4.065 4.340 -0.000 0.000 0.202 466 Q C 2.234 178.297 176.000 0.104 0.000 0.978 466 Q CA 2.251 58.145 55.803 0.151 0.000 0.844 466 Q CB -0.243 28.570 28.738 0.125 0.000 0.898 466 Q HN 0.703 nan 8.270 nan 0.000 0.426 467 E N -0.949 119.314 120.200 0.105 0.000 2.158 467 E HA -0.136 4.213 4.350 -0.000 0.000 0.191 467 E C 1.737 178.378 176.600 0.068 0.000 0.982 467 E CA 0.654 57.098 56.400 0.073 0.000 0.823 467 E CB -0.084 29.654 29.700 0.063 0.000 0.766 467 E HN 0.401 nan 8.360 nan 0.000 0.468 468 L N 0.630 121.911 121.223 0.097 0.000 2.201 468 L HA 0.053 4.392 4.340 -0.000 0.000 0.212 468 L C 2.070 178.955 176.870 0.024 0.000 1.105 468 L CA 1.850 56.726 54.840 0.060 0.000 0.775 468 L CB -0.383 41.723 42.059 0.079 0.000 0.913 468 L HN 0.168 nan 8.230 nan 0.000 0.440 469 A N -1.533 121.314 122.820 0.045 0.000 2.067 469 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 469 A C 2.051 179.648 177.584 0.022 0.000 1.156 469 A CA 0.676 52.731 52.037 0.030 0.000 0.683 469 A CB -0.279 18.753 19.000 0.052 0.000 0.808 469 A HN 0.515 nan 8.150 nan 0.000 0.455 470 Q N 0.328 120.144 119.800 0.027 0.000 1.916 470 Q HA -0.113 4.226 4.340 -0.000 0.000 0.203 470 Q C 2.200 178.210 176.000 0.016 0.000 0.983 470 Q CA 1.712 57.528 55.803 0.023 0.000 0.846 470 Q CB -1.124 27.630 28.738 0.026 0.000 0.909 470 Q HN 0.848 nan 8.270 nan 0.000 0.427 471 C N -1.489 117.819 119.300 0.013 0.000 1.519 471 C HA 0.772 5.232 4.460 -0.000 0.000 0.102 471 C C 1.054 176.021 174.990 -0.038 0.000 2.907 471 C CA 0.072 59.092 59.018 0.004 0.000 1.855 471 C CB -0.612 27.140 27.740 0.019 0.000 2.468 471 C HN 0.800 nan 8.230 nan 0.000 0.256 472 G N 2.352 111.091 108.800 -0.102 0.000 3.313 472 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.563 472 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.563 472 G C 0.088 174.876 174.900 -0.186 0.000 1.037 472 G CA 0.465 45.470 45.100 -0.159 0.000 0.848 472 G HN 1.321 nan 8.290 nan 0.000 0.416 473 N N 0.563 119.048 118.700 -0.357 0.000 1.020 473 N HA -0.317 4.422 4.740 -0.000 0.000 0.149 473 N C 1.514 176.988 175.510 -0.060 0.000 0.363 473 N CA 2.825 55.703 53.050 -0.286 0.000 0.952 473 N CB -0.489 37.920 38.487 -0.131 0.000 1.603 473 N HN 1.662 nan 8.380 nan 0.000 0.475 474 L N -3.189 118.031 121.223 -0.004 0.000 1.455 474 L HA -0.105 4.235 4.340 -0.000 0.000 0.477 474 L C 1.146 178.038 176.870 0.035 0.000 0.852 474 L CA 0.830 55.686 54.840 0.026 0.000 2.245 474 L CB -1.405 40.690 42.059 0.059 0.000 1.468 474 L HN 0.337 nan 8.230 nan 0.000 0.523 475 S N -0.794 114.939 115.700 0.054 0.000 2.561 475 S HA 0.022 4.492 4.470 -0.000 0.000 0.225 475 S C 1.095 175.714 174.600 0.030 0.000 0.977 475 S CA 0.829 59.059 58.200 0.050 0.000 0.926 475 S CB -0.431 62.812 63.200 0.071 0.000 0.769 475 S HN 0.627 nan 8.310 nan 0.000 0.533 476 C N 1.232 120.541 119.300 0.015 0.000 2.688 476 C HA 0.378 4.838 4.460 -0.000 0.000 0.297 476 C C 1.896 176.882 174.990 -0.006 0.000 1.308 476 C CA -0.727 58.290 59.018 -0.000 0.000 1.726 476 C CB -1.792 25.937 27.740 -0.017 0.000 1.982 476 C HN 0.525 nan 8.230 nan 0.000 0.604 477 L N 2.623 123.847 121.223 0.002 0.000 1.976 477 L HA -0.263 4.077 4.340 -0.000 0.000 0.223 477 L C 2.892 179.764 176.870 0.002 0.000 1.081 477 L CA 2.839 57.680 54.840 0.003 0.000 0.784 477 L CB -0.752 41.313 42.059 0.011 0.000 0.896 477 L HN 0.518 nan 8.230 nan 0.000 0.438 478 S N -0.900 114.803 115.700 0.006 0.000 2.401 478 S HA -0.361 4.109 4.470 -0.000 0.000 0.236 478 S C 1.821 176.421 174.600 0.001 0.000 1.058 478 S CA 1.980 60.183 58.200 0.006 0.000 1.151 478 S CB -1.259 61.945 63.200 0.007 0.000 1.049 478 S HN 0.609 nan 8.310 nan 0.000 0.432 479 D N 1.163 121.559 120.400 -0.007 0.000 2.182 479 D HA -0.044 4.596 4.640 -0.000 0.000 0.201 479 D C 2.042 178.324 176.300 -0.029 0.000 0.986 479 D CA 0.919 54.908 54.000 -0.017 0.000 0.847 479 D CB -0.285 40.501 40.800 -0.024 0.000 0.942 479 D HN 0.293 nan 8.370 nan 0.000 0.467 480 L N 1.109 122.315 121.223 -0.028 0.000 2.072 480 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 480 L C 2.454 179.324 176.870 0.001 0.000 1.079 480 L CA 1.307 56.128 54.840 -0.033 0.000 0.752 480 L CB -0.865 41.176 42.059 -0.030 0.000 0.906 480 L HN 0.098 nan 8.230 nan 0.000 0.436 481 Q N -0.809 118.998 119.800 0.012 0.000 2.030 481 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 481 Q C 2.158 178.180 176.000 0.036 0.000 0.986 481 Q CA 1.718 57.538 55.803 0.028 0.000 0.843 481 Q CB -0.551 28.200 28.738 0.022 0.000 0.904 481 Q HN 0.319 nan 8.270 nan 0.000 0.420 482 V N 1.644 121.572 119.914 0.023 0.000 2.282 482 V HA -0.339 3.781 4.120 -0.000 0.000 0.249 482 V C 2.457 178.569 176.094 0.031 0.000 1.057 482 V CA 1.973 64.288 62.300 0.026 0.000 1.032 482 V CB -1.271 30.560 31.823 0.014 0.000 0.645 482 V HN 0.452 nan 8.190 nan 0.000 0.447 483 A N 0.088 122.914 122.820 0.009 0.000 1.865 483 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 483 A C 2.469 180.082 177.584 0.049 0.000 1.191 483 A CA 2.585 54.618 52.037 -0.007 0.000 0.623 483 A CB -1.021 17.936 19.000 -0.072 0.000 0.826 483 A HN 0.620 nan 8.150 nan 0.000 0.444 484 A N -0.735 122.141 122.820 0.094 0.000 1.865 484 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 484 A C 2.132 179.853 177.584 0.227 0.000 1.191 484 A CA 2.024 54.188 52.037 0.212 0.000 0.623 484 A CB -0.450 18.662 19.000 0.187 0.000 0.826 484 A HN 0.331 nan 8.150 nan 0.000 0.444 485 K N -0.275 120.213 120.400 0.146 0.000 2.147 485 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 485 K C 2.197 178.883 176.600 0.143 0.000 1.049 485 K CA 1.300 57.670 56.287 0.139 0.000 0.936 485 K CB -0.648 31.904 32.500 0.087 0.000 0.722 485 K HN 0.478 nan 8.250 nan 0.000 0.446 486 A N 0.708 123.593 122.820 0.107 0.000 1.872 486 A HA -0.090 4.230 4.320 -0.000 0.000 0.214 486 A C 2.229 179.873 177.584 0.101 0.000 1.187 486 A CA 0.966 53.056 52.037 0.089 0.000 0.614 486 A CB -0.489 18.541 19.000 0.051 0.000 0.826 486 A HN 0.174 nan 8.150 nan 0.000 0.442 487 L N -0.098 121.172 121.223 0.078 0.000 2.127 487 L HA -0.200 4.140 4.340 -0.000 0.000 0.211 487 L C 2.461 179.431 176.870 0.167 0.000 1.089 487 L CA 1.971 56.822 54.840 0.018 0.000 0.757 487 L CB -0.455 41.479 42.059 -0.209 0.000 0.899 487 L HN 0.599 nan 8.230 nan 0.000 0.434 488 E N -0.398 119.995 120.200 0.323 0.000 2.051 488 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 488 E C 2.199 179.041 176.600 0.403 0.000 0.991 488 E CA 1.799 58.446 56.400 0.412 0.000 0.799 488 E CB -0.031 29.898 29.700 0.383 0.000 0.748 488 E HN 0.509 nan 8.360 nan 0.000 0.449 489 T N -1.816 112.940 114.554 0.337 0.000 2.995 489 T HA 0.027 4.377 4.350 -0.000 0.000 0.269 489 T C 1.838 176.717 174.700 0.299 0.000 1.091 489 T CA 1.139 63.455 62.100 0.361 0.000 1.128 489 T CB -0.363 68.622 68.868 0.194 0.000 0.891 489 T HN 0.246 nan 8.240 nan 0.000 0.492 490 G N 1.623 110.544 108.800 0.202 0.000 2.514 490 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.217 490 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.217 490 G C 1.642 176.620 174.900 0.130 0.000 1.198 490 G CA 1.491 46.674 45.100 0.138 0.000 0.780 490 G HN 0.525 nan 8.290 nan 0.000 0.565 491 V N 0.170 120.150 119.914 0.110 0.000 2.407 491 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 491 V C 2.457 178.520 176.094 -0.052 0.000 1.055 491 V CA 1.626 63.944 62.300 0.030 0.000 1.049 491 V CB -0.794 31.041 31.823 0.021 0.000 0.662 491 V HN 0.288 nan 8.190 nan 0.000 0.455 492 F N 1.717 121.642 119.950 -0.043 0.000 2.046 492 F HA -0.100 4.427 4.527 -0.000 0.000 0.297 492 F C 2.588 178.216 175.800 -0.288 0.000 1.123 492 F CA 2.100 59.954 58.000 -0.243 0.000 1.199 492 F CB -1.180 37.793 39.000 -0.044 0.000 0.972 492 F HN 0.202 nan 8.300 nan 0.000 0.474 493 G N -0.434 108.557 108.800 0.317 0.000 2.529 493 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.219 493 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.219 493 G C 1.843 176.877 174.900 0.222 0.000 1.177 493 G CA 1.295 46.627 45.100 0.387 0.000 0.773 493 G HN 0.529 nan 8.290 nan 0.000 0.573 494 A N 0.199 123.091 122.820 0.121 0.000 1.859 494 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 494 A C 2.178 179.792 177.584 0.049 0.000 1.198 494 A CA 2.059 54.142 52.037 0.076 0.000 0.629 494 A CB -1.036 17.994 19.000 0.050 0.000 0.830 494 A HN 0.604 nan 8.150 nan 0.000 0.446 495 Y N -0.278 119.919 120.300 -0.171 0.000 1.977 495 Y HA -0.366 4.184 4.550 -0.000 0.000 0.264 495 Y C 2.130 177.958 175.900 -0.119 0.000 1.167 495 Y CA 2.578 60.537 58.100 -0.236 0.000 1.102 495 Y CB -0.764 37.416 38.460 -0.467 0.000 0.948 495 Y HN 0.315 nan 8.280 nan 0.000 0.489 496 F N 0.263 120.295 119.950 0.136 0.000 2.091 496 F HA -0.309 4.218 4.527 -0.000 0.000 0.299 496 F C 2.220 177.984 175.800 -0.060 0.000 1.103 496 F CA 1.853 59.861 58.000 0.014 0.000 1.228 496 F CB -0.874 38.212 39.000 0.144 0.000 0.984 496 F HN 0.136 nan 8.300 nan 0.000 0.477 497 N N 0.051 118.868 118.700 0.195 0.000 2.223 497 N HA -0.124 4.616 4.740 -0.000 0.000 0.185 497 N C 1.687 177.224 175.510 0.046 0.000 1.016 497 N CA 1.081 54.203 53.050 0.121 0.000 0.863 497 N CB -0.162 38.400 38.487 0.125 0.000 0.983 497 N HN 0.019 nan 8.380 nan 0.000 0.429 498 V N 0.603 120.512 119.914 -0.007 0.000 2.229 498 V HA -0.207 3.912 4.120 -0.000 0.000 0.243 498 V C 2.087 178.145 176.094 -0.059 0.000 1.042 498 V CA 1.291 63.574 62.300 -0.029 0.000 1.000 498 V CB -0.882 30.912 31.823 -0.049 0.000 0.637 498 V HN 0.161 nan 8.190 nan 0.000 0.446 499 L N -0.167 120.962 121.223 -0.158 0.000 1.980 499 L HA -0.299 4.041 4.340 -0.000 0.000 0.232 499 L C 2.402 179.248 176.870 -0.040 0.000 1.092 499 L CA 2.603 57.365 54.840 -0.131 0.000 0.808 499 L CB -0.806 41.121 42.059 -0.220 0.000 0.908 499 L HN 0.288 nan 8.230 nan 0.000 0.442 500 I N -0.805 119.762 120.570 -0.005 0.000 2.290 500 I HA -0.424 3.746 4.170 -0.000 0.000 0.253 500 I C 1.989 178.113 176.117 0.012 0.000 1.112 500 I CA 1.974 63.285 61.300 0.018 0.000 1.377 500 I CB -0.144 37.880 38.000 0.040 0.000 1.060 500 I HN 0.480 nan 8.210 nan 0.000 0.428 501 N N 0.234 118.939 118.700 0.008 0.000 2.173 501 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 501 N C 1.624 177.119 175.510 -0.025 0.000 1.025 501 N CA 0.858 53.908 53.050 -0.001 0.000 0.852 501 N CB -0.163 38.328 38.487 0.006 0.000 0.998 501 N HN 0.138 nan 8.380 nan 0.000 0.427 502 L N 1.665 122.871 121.223 -0.028 0.000 2.357 502 L HA -0.198 4.142 4.340 -0.000 0.000 0.220 502 L C 1.951 178.804 176.870 -0.028 0.000 1.123 502 L CA 1.338 56.157 54.840 -0.036 0.000 0.782 502 L CB -0.306 41.747 42.059 -0.010 0.000 0.910 502 L HN 0.160 nan 8.230 nan 0.000 0.442 503 K N -0.126 120.264 120.400 -0.017 0.000 2.032 503 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 503 K C 0.409 176.999 176.600 -0.017 0.000 1.048 503 K CA 1.397 57.678 56.287 -0.009 0.000 0.927 503 K CB -0.356 32.144 32.500 -0.000 0.000 0.712 503 K HN 0.441 nan 8.250 nan 0.000 0.441 507 D N 1.233 121.624 120.400 -0.015 0.000 2.648 507 D HA -0.026 4.614 4.640 -0.000 0.000 0.097 507 D C 0.119 176.454 176.300 0.059 0.000 0.901 507 D CA 0.129 54.139 54.000 0.018 0.000 0.973 507 D CB -0.979 39.818 40.800 -0.005 0.000 0.689 507 D HN 0.529 nan 8.370 nan 0.000 0.461 508 D N -0.027 120.403 120.400 0.049 0.000 2.149 508 D HA -0.104 4.535 4.640 -0.000 0.000 0.198 508 D C 2.288 178.640 176.300 0.086 0.000 0.990 508 D CA 1.513 55.547 54.000 0.057 0.000 0.839 508 D CB 0.106 40.928 40.800 0.036 0.000 0.948 508 D HN 0.389 nan 8.370 nan 0.000 0.460 509 V N 1.181 121.148 119.914 0.088 0.000 2.215 509 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 509 V C 2.152 178.333 176.094 0.145 0.000 1.047 509 V CA 1.935 64.288 62.300 0.088 0.000 0.999 509 V CB -1.114 30.753 31.823 0.072 0.000 0.635 509 V HN 0.142 nan 8.190 nan 0.000 0.450 510 F N 0.938 120.892 119.950 0.006 0.000 2.063 510 F HA -0.342 4.185 4.527 -0.000 0.000 0.297 510 F C 2.521 178.328 175.800 0.013 0.000 1.099 510 F CA 2.386 60.392 58.000 0.009 0.000 1.220 510 F CB -0.150 38.854 39.000 0.007 0.000 0.972 510 F HN 0.070 nan 8.300 nan 0.000 0.487 511 K N 0.187 120.829 120.400 0.403 0.000 1.974 511 K HA -0.326 3.994 4.320 -0.000 0.000 0.229 511 K C 1.980 178.684 176.600 0.175 0.000 1.038 511 K CA 1.845 58.272 56.287 0.233 0.000 1.034 511 K CB -0.934 31.627 32.500 0.101 0.000 0.742 511 K HN 0.369 nan 8.250 nan 0.000 0.446 512 E N 1.389 121.658 120.200 0.114 0.000 2.217 512 E HA -0.362 3.988 4.350 -0.000 0.000 0.219 512 E C 2.091 178.747 176.600 0.094 0.000 1.070 512 E CA 2.074 58.525 56.400 0.085 0.000 0.889 512 E CB -0.102 29.629 29.700 0.051 0.000 0.768 512 E HN 0.257 nan 8.360 nan 0.000 0.465 513 K N -0.578 119.869 120.400 0.078 0.000 2.009 513 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 513 K C 2.209 178.859 176.600 0.083 0.000 1.049 513 K CA 2.121 58.438 56.287 0.051 0.000 0.929 513 K CB -0.250 32.237 32.500 -0.022 0.000 0.714 513 K HN 0.148 nan 8.250 nan 0.000 0.440 514 T N 0.787 115.396 114.554 0.092 0.000 2.746 514 T HA -0.166 4.183 4.350 -0.000 0.000 0.267 514 T C 1.822 176.588 174.700 0.110 0.000 1.039 514 T CA 1.658 63.822 62.100 0.107 0.000 1.142 514 T CB -0.282 68.730 68.868 0.239 0.000 0.866 514 T HN 0.359 nan 8.240 nan 0.000 0.444 515 R N 0.325 120.898 120.500 0.122 0.000 2.113 515 R HA -0.217 4.123 4.340 -0.000 0.000 0.244 515 R C 2.425 178.800 176.300 0.126 0.000 1.142 515 R CA 1.933 58.092 56.100 0.097 0.000 0.953 515 R CB -0.464 29.897 30.300 0.101 0.000 0.860 515 R HN 0.570 nan 8.270 nan 0.000 0.438 516 H N -0.423 118.675 119.070 0.048 0.000 2.343 516 H HA -0.045 4.511 4.556 -0.000 0.000 0.303 516 H C 2.045 177.395 175.328 0.038 0.000 1.068 516 H CA 1.576 57.651 56.048 0.044 0.000 1.359 516 H CB 0.097 29.876 29.762 0.027 0.000 1.402 516 H HN 0.087 nan 8.280 nan 0.000 0.515 517 R N 1.072 121.620 120.500 0.080 0.000 2.096 517 R HA -0.142 4.198 4.340 -0.000 0.000 0.240 517 R C 2.391 178.676 176.300 -0.025 0.000 1.139 517 R CA 1.622 57.728 56.100 0.010 0.000 0.952 517 R CB -1.212 29.111 30.300 0.038 0.000 0.854 517 R HN 0.384 nan 8.270 nan 0.000 0.436 518 I N 0.595 121.178 120.570 0.022 0.000 2.163 518 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 518 I C 1.898 178.067 176.117 0.087 0.000 1.085 518 I CA 2.090 63.424 61.300 0.058 0.000 1.347 518 I CB -0.584 37.450 38.000 0.055 0.000 1.044 518 I HN 0.404 nan 8.210 nan 0.000 0.408 519 S N 0.017 115.765 115.700 0.080 0.000 2.368 519 S HA -0.191 4.279 4.470 -0.000 0.000 0.224 519 S C 2.154 176.657 174.600 -0.161 0.000 1.029 519 S CA 1.267 59.486 58.200 0.031 0.000 0.988 519 S CB -1.406 61.838 63.200 0.073 0.000 0.838 519 S HN 0.630 nan 8.310 nan 0.000 0.462 520 S N 3.567 119.137 115.700 -0.217 0.000 2.368 520 S HA -0.150 4.320 4.470 -0.000 0.000 0.226 520 S C 1.889 176.402 174.600 -0.145 0.000 1.044 520 S CA 1.579 59.654 58.200 -0.209 0.000 1.062 520 S CB -1.185 61.873 63.200 -0.236 0.000 0.931 520 S HN 0.466 nan 8.310 nan 0.000 0.440 521 L N 0.658 121.821 121.223 -0.100 0.000 2.042 521 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 521 L C 2.685 179.492 176.870 -0.105 0.000 1.076 521 L CA 1.304 56.112 54.840 -0.052 0.000 0.749 521 L CB -0.702 41.351 42.059 -0.010 0.000 0.893 521 L HN 0.288 nan 8.230 nan 0.000 0.432 522 L N -0.206 120.892 121.223 -0.208 0.000 2.017 522 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 522 L C 2.645 179.269 176.870 -0.410 0.000 1.073 522 L CA 1.870 56.447 54.840 -0.437 0.000 0.745 522 L CB -0.520 41.085 42.059 -0.758 0.000 0.894 522 L HN 0.269 nan 8.230 nan 0.000 0.432 523 Q N 0.218 119.826 119.800 -0.320 0.000 2.045 523 Q HA -0.310 4.030 4.340 -0.000 0.000 0.206 523 Q C 2.226 178.091 176.000 -0.225 0.000 0.991 523 Q CA 2.514 58.168 55.803 -0.249 0.000 0.851 523 Q CB -0.579 28.044 28.738 -0.192 0.000 0.911 523 Q HN 0.680 nan 8.270 nan 0.000 0.418 524 E N -0.806 119.276 120.200 -0.197 0.000 2.085 524 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 524 E C 1.796 178.175 176.600 -0.367 0.000 0.994 524 E CA 1.197 57.463 56.400 -0.224 0.000 0.801 524 E CB -0.341 29.284 29.700 -0.125 0.000 0.743 524 E HN 0.481 nan 8.360 nan 0.000 0.453 525 A N 1.444 124.127 122.820 -0.228 0.000 1.865 525 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 525 A C 2.078 179.476 177.584 -0.312 0.000 1.191 525 A CA 2.034 53.965 52.037 -0.178 0.000 0.623 525 A CB -0.507 18.530 19.000 0.062 0.000 0.826 525 A HN 0.201 nan 8.150 nan 0.000 0.444 526 K N -0.787 119.467 120.400 -0.243 0.000 2.020 526 K HA -0.171 4.149 4.320 -0.000 0.000 0.212 526 K C 2.294 178.788 176.600 -0.177 0.000 1.050 526 K CA 2.162 58.364 56.287 -0.143 0.000 0.929 526 K CB -0.556 31.869 32.500 -0.125 0.000 0.714 526 K HN 0.764 nan 8.250 nan 0.000 0.443 527 T N -0.750 113.666 114.554 -0.231 0.000 2.770 527 T HA -0.155 4.195 4.350 -0.000 0.000 0.263 527 T C 2.034 176.552 174.700 -0.303 0.000 1.039 527 T CA 0.910 62.882 62.100 -0.215 0.000 1.142 527 T CB -0.286 68.472 68.868 -0.183 0.000 0.868 527 T HN 0.044 nan 8.240 nan 0.000 0.435 528 Q N 1.924 121.416 119.800 -0.513 0.000 2.002 528 Q HA 0.059 4.399 4.340 -0.000 0.000 0.204 528 Q C 2.599 178.229 176.000 -0.617 0.000 0.988 528 Q CA 2.105 57.493 55.803 -0.692 0.000 0.843 528 Q CB -1.166 26.765 28.738 -1.346 0.000 0.908 528 Q HN 0.633 nan 8.270 nan 0.000 0.420 529 A N 0.278 122.646 122.820 -0.754 0.000 1.971 529 A HA -0.261 4.059 4.320 -0.000 0.000 0.222 529 A C 2.185 179.699 177.584 -0.117 0.000 1.182 529 A CA 2.317 54.172 52.037 -0.303 0.000 0.649 529 A CB -1.300 17.645 19.000 -0.092 0.000 0.818 529 A HN 0.530 nan 8.150 nan 0.000 0.458 530 A N 0.480 123.216 122.820 -0.140 0.000 1.824 530 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 530 A C 2.168 179.719 177.584 -0.056 0.000 1.209 530 A CA 1.703 53.696 52.037 -0.074 0.000 0.614 530 A CB -1.073 17.880 19.000 -0.078 0.000 0.852 530 A HN 0.866 nan 8.150 nan 0.000 0.447 531 L N -0.629 120.548 121.223 -0.076 0.000 2.043 531 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 531 L C 2.303 179.162 176.870 -0.017 0.000 1.075 531 L CA 1.728 56.541 54.840 -0.046 0.000 0.752 531 L CB -1.746 40.281 42.059 -0.054 0.000 0.891 531 L HN 0.183 nan 8.230 nan 0.000 0.432 532 V N 1.032 120.940 119.914 -0.010 0.000 2.222 532 V HA -0.368 3.752 4.120 -0.000 0.000 0.252 532 V C 2.743 178.857 176.094 0.033 0.000 1.060 532 V CA 2.561 64.886 62.300 0.042 0.000 1.027 532 V CB -0.747 31.137 31.823 0.102 0.000 0.644 532 V HN 0.377 nan 8.190 nan 0.000 0.448 533 L N 0.096 121.335 121.223 0.027 0.000 2.043 533 L HA -0.168 4.171 4.340 -0.000 0.000 0.212 533 L C 2.521 179.398 176.870 0.012 0.000 1.075 533 L CA 1.835 56.689 54.840 0.022 0.000 0.752 533 L CB -1.126 40.945 42.059 0.020 0.000 0.891 533 L HN 0.524 nan 8.230 nan 0.000 0.432 534 G N -0.892 107.909 108.800 0.002 0.000 2.701 534 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.215 534 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.215 534 G C 1.562 176.465 174.900 0.006 0.000 1.297 534 G CA 1.072 46.171 45.100 -0.001 0.000 0.807 534 G HN 0.410 nan 8.290 nan 0.000 0.608 535 S N 0.873 116.577 115.700 0.007 0.000 2.406 535 S HA -0.262 4.208 4.470 -0.000 0.000 0.242 535 S C 2.332 176.940 174.600 0.014 0.000 1.079 535 S CA 1.799 60.006 58.200 0.012 0.000 1.133 535 S CB -0.654 62.558 63.200 0.019 0.000 1.005 535 S HN 0.310 nan 8.310 nan 0.000 0.443 536 L N 1.055 122.288 121.223 0.017 0.000 1.989 536 L HA -0.195 4.144 4.340 -0.000 0.000 0.211 536 L C 2.784 179.662 176.870 0.013 0.000 1.071 536 L CA 1.833 56.682 54.840 0.016 0.000 0.749 536 L CB -0.648 41.422 42.059 0.018 0.000 0.890 536 L HN 0.252 nan 8.230 nan 0.000 0.431 537 E N 0.610 120.817 120.200 0.012 0.000 2.049 537 E HA -0.263 4.086 4.350 -0.000 0.000 0.198 537 E C 2.043 178.649 176.600 0.009 0.000 1.007 537 E CA 1.886 58.292 56.400 0.010 0.000 0.809 537 E CB -0.326 29.379 29.700 0.008 0.000 0.749 537 E HN 0.384 nan 8.360 nan 0.000 0.450 538 A N -0.042 122.783 122.820 0.008 0.000 2.172 538 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 538 A C 2.124 179.713 177.584 0.010 0.000 1.154 538 A CA 1.492 53.533 52.037 0.007 0.000 0.701 538 A CB -0.521 18.483 19.000 0.006 0.000 0.789 538 A HN 0.209 nan 8.150 nan 0.000 0.465 539 R N 0.556 121.063 120.500 0.012 0.000 2.055 539 R HA 0.013 4.353 4.340 -0.000 0.000 0.228 539 R C 0.520 176.830 176.300 0.016 0.000 1.143 539 R CA 0.937 57.046 56.100 0.015 0.000 0.945 539 R CB -0.398 29.912 30.300 0.016 0.000 0.841 539 R HN 0.279 nan 8.270 nan 0.000 0.429 540 K N 2.546 122.955 120.400 0.015 0.000 3.072 540 K HA -0.203 4.116 4.320 -0.000 0.000 0.240 540 K C -0.488 176.121 176.600 0.015 0.000 1.210 540 K CA 1.023 57.319 56.287 0.015 0.000 1.234 540 K CB -0.675 31.832 32.500 0.013 0.000 1.244 540 K HN 0.523 nan 8.250 nan 0.000 0.500 541 E N 0.000 120.211 120.200 0.018 0.000 2.725 541 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 541 E CA 0.000 56.410 56.400 0.017 0.000 0.976 541 E CB 0.000 29.712 29.700 0.020 0.000 0.812 541 E HN 0.000 nan 8.360 nan 0.000 0.440