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_C 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 0.035 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 1.326 121.150 119.800 0.039 0.000 2.408 3 Q HA -0.114 4.225 4.340 -0.000 0.000 0.284 3 Q C -1.535 174.497 176.000 0.053 0.000 1.345 3 Q CA 0.294 56.124 55.803 0.044 0.000 0.713 3 Q CB -1.126 27.637 28.738 0.041 0.000 1.122 3 Q HN 0.536 nan 8.270 nan 0.000 0.394 4 L N 0.717 121.974 121.223 0.057 0.000 2.276 4 L HA 0.511 4.850 4.340 -0.000 0.000 0.286 4 L C 0.267 177.180 176.870 0.071 0.000 1.061 4 L CA -0.207 54.672 54.840 0.064 0.000 0.807 4 L CB 1.764 43.862 42.059 0.065 0.000 1.177 4 L HN 0.072 nan 8.230 nan 0.000 0.429 5 V N 4.649 124.600 119.914 0.062 0.000 2.444 5 V HA 0.318 4.438 4.120 -0.000 0.000 0.294 5 V C 0.191 176.271 176.094 -0.022 0.000 1.022 5 V CA -0.806 61.524 62.300 0.050 0.000 0.850 5 V CB 2.234 34.104 31.823 0.078 0.000 0.992 5 V HN 0.741 nan 8.190 nan 0.000 0.426 6 E N 3.444 123.617 120.200 -0.046 0.000 2.313 6 E HA 0.446 4.796 4.350 -0.000 0.000 0.272 6 E C -1.111 175.254 176.600 -0.392 0.000 1.038 6 E CA -0.303 55.991 56.400 -0.177 0.000 0.863 6 E CB 1.411 31.058 29.700 -0.088 0.000 1.060 6 E HN 0.762 nan 8.360 nan 0.000 0.402 7 C N 4.519 123.398 119.300 -0.702 0.000 2.599 7 C HA 0.416 4.875 4.460 -0.000 0.000 0.354 7 C C -1.069 173.377 174.990 -0.906 0.000 1.092 7 C CA -0.517 57.877 59.018 -1.041 0.000 1.280 7 C CB 0.127 26.946 27.740 -1.534 0.000 1.829 7 C HN 0.492 nan 8.230 nan 0.000 0.454 8 V N 8.934 128.516 119.914 -0.553 0.000 2.225 8 V HA 0.339 4.459 4.120 -0.000 0.000 0.264 8 V C -1.940 174.055 176.094 -0.164 0.000 1.067 8 V CA -1.028 61.109 62.300 -0.271 0.000 0.903 8 V CB 0.884 32.584 31.823 -0.205 0.000 1.136 8 V HN 0.802 nan 8.190 nan 0.000 0.456 9 P HA 0.041 nan 4.420 nan 0.000 0.267 9 P C -0.290 177.012 177.300 0.003 0.000 1.209 9 P CA 0.108 63.155 63.100 -0.088 0.000 0.763 9 P CB 0.652 32.330 31.700 -0.036 0.000 0.816 10 N N 3.510 122.152 118.700 -0.096 0.000 2.558 10 N HA 0.195 4.935 4.740 -0.000 0.000 0.233 10 N C -0.969 174.489 175.510 -0.086 0.000 1.038 10 N CA -0.312 52.725 53.050 -0.021 0.000 0.934 10 N CB -0.180 38.295 38.487 -0.020 0.000 1.175 10 N HN 0.230 nan 8.380 nan 0.000 0.512 11 F N 0.704 120.732 119.950 0.131 0.000 2.404 11 F HA 0.171 4.698 4.527 -0.000 0.000 0.345 11 F C 1.276 177.067 175.800 -0.015 0.000 1.110 11 F CA -0.458 57.589 58.000 0.077 0.000 1.130 11 F CB 1.212 40.351 39.000 0.232 0.000 1.129 11 F HN 0.176 nan 8.300 nan 0.000 0.500 12 S N 3.451 119.191 115.700 0.067 0.000 3.517 12 S HA -0.030 4.440 4.470 -0.000 0.000 0.284 12 S C 1.508 175.995 174.600 -0.188 0.000 1.260 12 S CA -0.191 57.895 58.200 -0.189 0.000 0.975 12 S CB -0.432 62.470 63.200 -0.496 0.000 1.540 12 S HN 0.809 nan 8.310 nan 0.000 0.506 13 E N 2.956 123.154 120.200 -0.003 0.000 2.301 13 E HA -0.366 3.984 4.350 -0.000 0.000 0.224 13 E C 1.850 178.455 176.600 0.007 0.000 1.092 13 E CA 1.881 58.302 56.400 0.035 0.000 0.913 13 E CB -0.366 29.373 29.700 0.065 0.000 0.776 13 E HN 0.877 nan 8.360 nan 0.000 0.465 14 G N 0.923 109.744 108.800 0.035 0.000 2.934 14 G HA2 -0.482 3.477 3.960 -0.000 0.000 0.231 14 G HA3 -0.482 3.477 3.960 -0.000 0.000 0.231 14 G C 0.398 175.343 174.900 0.075 0.000 1.235 14 G CA 0.929 46.075 45.100 0.078 0.000 0.812 14 G HN 0.740 nan 8.290 nan 0.000 0.521 15 N N -0.388 118.338 118.700 0.044 0.000 2.596 15 N HA 0.025 4.765 4.740 -0.000 0.000 0.274 15 N C -0.730 174.788 175.510 0.013 0.000 1.258 15 N CA 2.000 55.067 53.050 0.029 0.000 0.636 15 N CB -1.436 37.073 38.487 0.036 0.000 0.928 15 N HN 2.254 nan 8.380 nan 0.000 0.540 16 N N 1.353 120.054 118.700 0.002 0.000 6.361 16 N HA 0.033 4.773 4.740 -0.000 0.000 0.121 16 N C 0.626 176.130 175.510 -0.009 0.000 0.988 16 N CA -0.217 52.831 53.050 -0.003 0.000 1.162 16 N CB 0.330 38.816 38.487 -0.001 0.000 1.433 16 N HN 0.089 nan 8.380 nan 0.000 1.190 17 Q N 1.815 121.610 119.800 -0.009 0.000 2.114 17 Q HA -0.337 4.002 4.340 -0.000 0.000 0.218 17 Q C 0.698 176.690 176.000 -0.014 0.000 1.064 17 Q CA 2.914 58.711 55.803 -0.011 0.000 0.926 17 Q CB -0.679 28.054 28.738 -0.009 0.000 1.067 17 Q HN 0.898 nan 8.270 nan 0.000 0.439 18 E N -0.365 119.826 120.200 -0.016 0.000 2.197 18 E HA -0.202 4.148 4.350 -0.000 0.000 0.205 18 E C 2.078 178.658 176.600 -0.034 0.000 1.029 18 E CA 1.671 58.059 56.400 -0.021 0.000 0.828 18 E CB -0.174 29.516 29.700 -0.018 0.000 0.737 18 E HN 0.197 nan 8.360 nan 0.000 0.464 19 V N 0.888 120.780 119.914 -0.036 0.000 2.302 19 V HA -0.207 3.913 4.120 -0.000 0.000 0.243 19 V C 2.192 178.245 176.094 -0.069 0.000 1.036 19 V CA 1.418 63.681 62.300 -0.061 0.000 1.020 19 V CB -0.374 31.415 31.823 -0.057 0.000 0.657 19 V HN 0.200 nan 8.190 nan 0.000 0.453 20 I N 0.694 121.253 120.570 -0.018 0.000 2.058 20 I HA -0.265 3.904 4.170 -0.000 0.000 0.235 20 I C 2.235 178.388 176.117 0.060 0.000 1.053 20 I CA 2.038 63.372 61.300 0.055 0.000 1.313 20 I CB -0.744 37.274 38.000 0.029 0.000 1.039 20 I HN 0.326 nan 8.210 nan 0.000 0.396 21 D N 1.100 121.512 120.400 0.021 0.000 2.309 21 D HA -0.121 4.519 4.640 -0.000 0.000 0.212 21 D C 2.023 178.309 176.300 -0.023 0.000 0.968 21 D CA 1.376 55.383 54.000 0.013 0.000 0.882 21 D CB -0.044 40.755 40.800 -0.000 0.000 0.918 21 D HN 0.456 nan 8.370 nan 0.000 0.503 22 A N 0.947 123.734 122.820 -0.054 0.000 1.861 22 A HA -0.010 4.310 4.320 -0.000 0.000 0.212 22 A C 2.317 179.817 177.584 -0.141 0.000 1.199 22 A CA 0.240 52.228 52.037 -0.082 0.000 0.613 22 A CB -0.516 18.438 19.000 -0.076 0.000 0.846 22 A HN 0.067 nan 8.150 nan 0.000 0.446 23 I N 0.671 121.103 120.570 -0.230 0.000 2.118 23 I HA -0.296 3.874 4.170 -0.000 0.000 0.241 23 I C 2.808 178.707 176.117 -0.363 0.000 1.070 23 I CA 1.886 62.932 61.300 -0.424 0.000 1.327 23 I CB -0.249 37.241 38.000 -0.849 0.000 1.034 23 I HN 0.471 nan 8.210 nan 0.000 0.405 24 S N -0.176 115.407 115.700 -0.195 0.000 2.537 24 S HA -0.182 4.287 4.470 -0.000 0.000 0.240 24 S C 1.781 176.346 174.600 -0.059 0.000 0.981 24 S CA 1.118 59.304 58.200 -0.023 0.000 0.948 24 S CB -0.189 63.171 63.200 0.267 0.000 0.759 24 S HN 0.508 nan 8.310 nan 0.000 0.531 25 Q N 0.205 119.953 119.800 -0.087 0.000 2.159 25 Q HA 0.290 4.630 4.340 -0.000 0.000 0.194 25 Q C 2.680 178.617 176.000 -0.104 0.000 0.968 25 Q CA 0.825 56.582 55.803 -0.076 0.000 0.837 25 Q CB -0.433 28.271 28.738 -0.057 0.000 0.920 25 Q HN 0.667 nan 8.270 nan 0.000 0.485 26 A N 1.344 124.093 122.820 -0.118 0.000 1.986 26 A HA -0.219 4.100 4.320 -0.000 0.000 0.220 26 A C 1.961 179.453 177.584 -0.153 0.000 1.171 26 A CA 1.277 53.246 52.037 -0.113 0.000 0.640 26 A CB -0.727 18.211 19.000 -0.103 0.000 0.811 26 A HN 0.497 nan 8.150 nan 0.000 0.451 27 I N -1.689 118.746 120.570 -0.225 0.000 2.439 27 I HA -0.092 4.078 4.170 -0.000 0.000 0.251 27 I C 2.230 178.157 176.117 -0.317 0.000 1.139 27 I CA 1.577 62.665 61.300 -0.353 0.000 1.438 27 I CB 0.071 37.783 38.000 -0.480 0.000 1.085 27 I HN 0.263 nan 8.210 nan 0.000 0.427 28 S N -0.120 115.465 115.700 -0.191 0.000 2.548 28 S HA 0.072 4.542 4.470 -0.000 0.000 0.215 28 S C 1.332 175.882 174.600 -0.084 0.000 0.976 28 S CA 0.168 58.295 58.200 -0.122 0.000 0.908 28 S CB 0.005 63.165 63.200 -0.067 0.000 0.781 28 S HN 0.544 nan 8.310 nan 0.000 0.519 29 Q N 0.912 120.660 119.800 -0.086 0.000 2.204 29 Q HA 0.180 4.519 4.340 -0.000 0.000 0.209 29 Q C -0.553 175.414 176.000 -0.056 0.000 0.861 29 Q CA 0.008 55.776 55.803 -0.057 0.000 0.971 29 Q CB 0.852 29.561 28.738 -0.048 0.000 1.095 29 Q HN 0.225 nan 8.270 nan 0.000 0.486 30 T N 3.161 117.668 114.554 -0.080 0.000 2.743 30 T HA 0.302 4.652 4.350 -0.000 0.000 0.293 30 T C -2.426 172.252 174.700 -0.037 0.000 0.945 30 T CA -1.511 60.552 62.100 -0.062 0.000 1.030 30 T CB 0.960 69.770 68.868 -0.098 0.000 0.912 30 T HN -0.025 nan 8.240 nan 0.000 0.483 31 P HA 0.430 nan 4.420 nan 0.000 0.276 31 P C 0.956 178.266 177.300 0.017 0.000 1.235 31 P CA 0.157 63.258 63.100 0.002 0.000 0.772 31 P CB 0.730 32.434 31.700 0.006 0.000 0.871 32 G N 1.244 110.060 108.800 0.026 0.000 2.184 32 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.206 32 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.206 32 G C 0.028 174.970 174.900 0.071 0.000 0.995 32 G CA -0.041 45.087 45.100 0.046 0.000 0.651 32 G HN 0.796 nan 8.290 nan 0.000 0.511 33 C N -0.598 118.742 119.300 0.068 0.000 2.848 33 C HA 0.935 5.395 4.460 -0.000 0.000 0.317 33 C C 0.024 175.066 174.990 0.087 0.000 1.260 33 C CA -1.387 57.705 59.018 0.123 0.000 1.656 33 C CB 1.797 29.667 27.740 0.216 0.000 2.174 33 C HN 0.567 nan 8.230 nan 0.000 0.479 34 V N 1.703 121.699 119.914 0.136 0.000 2.531 34 V HA 0.416 4.536 4.120 -0.000 0.000 0.301 34 V C -0.490 175.692 176.094 0.145 0.000 1.034 34 V CA -0.268 62.091 62.300 0.098 0.000 0.865 34 V CB 1.593 33.464 31.823 0.081 0.000 0.995 34 V HN 0.822 nan 8.190 nan 0.000 0.424 35 L N 5.409 126.689 121.223 0.095 0.000 2.385 35 L HA 0.289 4.628 4.340 -0.000 0.000 0.281 35 L C 0.784 177.726 176.870 0.121 0.000 1.106 35 L CA 0.798 55.715 54.840 0.128 0.000 0.856 35 L CB 0.376 42.472 42.059 0.062 0.000 1.186 35 L HN 0.612 nan 8.230 nan 0.000 0.453 36 L N 2.717 124.029 121.223 0.149 0.000 2.408 36 L HA 0.294 4.634 4.340 -0.000 0.000 0.215 36 L C -0.282 176.628 176.870 0.066 0.000 1.081 36 L CA 0.299 55.195 54.840 0.094 0.000 0.840 36 L CB 0.123 42.234 42.059 0.086 0.000 1.002 36 L HN 0.724 nan 8.230 nan 0.000 0.468 37 D N -1.430 119.017 120.400 0.078 0.000 2.706 37 D HA 0.050 4.690 4.640 -0.000 0.000 0.229 37 D C -1.452 174.862 176.300 0.024 0.000 1.145 37 D CA -0.274 53.747 54.000 0.035 0.000 0.746 37 D CB 1.565 42.371 40.800 0.009 0.000 2.093 37 D HN -0.234 nan 8.370 nan 0.000 0.473 38 V N 3.535 123.422 119.914 -0.045 0.000 2.284 38 V HA 0.464 4.584 4.120 -0.000 0.000 0.274 38 V C -0.904 175.059 176.094 -0.219 0.000 1.023 38 V CA -0.579 61.593 62.300 -0.213 0.000 0.808 38 V CB 1.067 32.737 31.823 -0.256 0.000 1.035 38 V HN 0.584 nan 8.190 nan 0.000 0.445 39 D N 6.100 126.381 120.400 -0.199 0.000 2.317 39 D HA 0.519 5.158 4.640 -0.000 0.000 0.252 39 D C -0.219 175.974 176.300 -0.178 0.000 1.174 39 D CA 0.143 54.055 54.000 -0.147 0.000 0.866 39 D CB 1.921 42.663 40.800 -0.097 0.000 1.127 39 D HN 0.788 nan 8.370 nan 0.000 0.467 40 A N 2.776 125.515 122.820 -0.135 0.000 2.350 40 A HA 0.698 5.018 4.320 -0.000 0.000 0.324 40 A C -0.054 177.492 177.584 -0.063 0.000 1.118 40 A CA -0.601 51.371 52.037 -0.109 0.000 0.783 40 A CB 1.819 20.756 19.000 -0.104 0.000 1.236 40 A HN 0.541 nan 8.150 nan 0.000 0.457 41 G N 2.487 111.260 108.800 -0.045 0.000 2.866 41 G HA2 0.527 4.487 3.960 -0.000 0.000 0.291 41 G HA3 0.527 4.487 3.960 -0.000 0.000 0.291 41 G C -2.231 172.665 174.900 -0.007 0.000 1.476 41 G CA -1.359 43.724 45.100 -0.028 0.000 1.048 41 G HN 0.342 nan 8.290 nan 0.000 0.542 42 P HA -0.250 nan 4.420 nan 0.000 0.216 42 P C 2.361 179.669 177.300 0.014 0.000 1.167 42 P CA 2.357 65.462 63.100 0.008 0.000 0.914 42 P CB 0.289 31.991 31.700 0.004 0.000 0.793 43 S N -1.685 114.023 115.700 0.012 0.000 2.428 43 S HA -0.106 4.363 4.470 -0.000 0.000 0.230 43 S C 1.801 176.416 174.600 0.026 0.000 1.014 43 S CA 1.763 59.973 58.200 0.016 0.000 0.957 43 S CB -1.907 61.305 63.200 0.020 0.000 0.784 43 S HN 0.285 nan 8.310 nan 0.000 0.499 44 T N -0.895 113.674 114.554 0.024 0.000 3.023 44 T HA 0.098 4.448 4.350 -0.000 0.000 0.266 44 T C 0.833 175.588 174.700 0.091 0.000 1.093 44 T CA 0.570 62.697 62.100 0.046 0.000 1.129 44 T CB -0.970 67.874 68.868 -0.040 0.000 0.899 44 T HN 0.433 nan 8.240 nan 0.000 0.491 45 N N 2.068 120.811 118.700 0.072 0.000 2.705 45 N HA -0.189 4.551 4.740 -0.000 0.000 0.255 45 N C -0.173 175.451 175.510 0.191 0.000 1.008 45 N CA 0.848 53.971 53.050 0.122 0.000 0.742 45 N CB -0.885 37.667 38.487 0.108 0.000 0.906 45 N HN 0.940 nan 8.380 nan 0.000 0.541 46 R N -2.512 118.049 120.500 0.103 0.000 2.781 46 R HA 0.767 5.106 4.340 -0.000 0.000 0.269 46 R C -1.376 174.944 176.300 0.032 0.000 1.025 46 R CA -0.916 55.237 56.100 0.088 0.000 0.914 46 R CB 1.131 31.496 30.300 0.109 0.000 1.236 46 R HN -0.021 nan 8.270 nan 0.000 0.465 47 T N 1.326 115.912 114.554 0.054 0.000 2.890 47 T HA 0.310 4.660 4.350 -0.000 0.000 0.295 47 T C -0.677 174.006 174.700 -0.030 0.000 0.993 47 T CA -0.706 61.349 62.100 -0.074 0.000 0.979 47 T CB 1.517 70.275 68.868 -0.182 0.000 0.967 47 T HN 0.382 nan 8.240 nan 0.000 0.441 48 V N 4.155 124.011 119.914 -0.097 0.000 2.461 48 V HA 0.379 4.499 4.120 -0.000 0.000 0.275 48 V C -0.716 175.318 176.094 -0.099 0.000 1.047 48 V CA -0.644 61.649 62.300 -0.013 0.000 0.955 48 V CB -0.302 31.501 31.823 -0.033 0.000 0.988 48 V HN 0.735 nan 8.190 nan 0.000 0.471 49 Y N 1.960 122.334 120.300 0.124 0.000 2.387 49 Y HA 0.649 5.199 4.550 -0.000 0.000 0.336 49 Y C 0.677 176.642 175.900 0.110 0.000 1.067 49 Y CA -0.680 57.509 58.100 0.149 0.000 1.114 49 Y CB 2.091 40.702 38.460 0.252 0.000 1.208 49 Y HN 0.594 nan 8.280 nan 0.000 0.458 50 T N 4.739 119.444 114.554 0.251 0.000 2.879 50 T HA 0.675 5.025 4.350 -0.000 0.000 0.290 50 T C -1.302 173.530 174.700 0.220 0.000 0.993 50 T CA -0.719 61.443 62.100 0.102 0.000 0.975 50 T CB 0.497 69.374 68.868 0.015 0.000 0.981 50 T HN 0.458 nan 8.240 nan 0.000 0.439 51 F N 0.954 120.897 119.950 -0.012 0.000 2.654 51 F HA 0.835 5.361 4.527 -0.000 0.000 0.308 51 F C -0.905 174.880 175.800 -0.025 0.000 1.108 51 F CA -1.465 56.530 58.000 -0.008 0.000 0.957 51 F CB 0.645 39.643 39.000 -0.004 0.000 1.309 51 F HN 0.523 nan 8.300 nan 0.000 0.446 52 V N -0.326 119.659 119.914 0.118 0.000 3.229 52 V HA 1.138 5.258 4.120 -0.000 0.000 0.310 52 V C -0.008 176.168 176.094 0.137 0.000 1.206 52 V CA -0.460 61.862 62.300 0.037 0.000 1.051 52 V CB 0.923 32.777 31.823 0.051 0.000 1.183 52 V HN 2.212 nan 8.190 nan 0.000 0.466 53 G N -0.253 108.605 108.800 0.095 0.000 2.357 53 G HA2 0.270 4.230 3.960 -0.000 0.000 0.289 53 G HA3 0.270 4.230 3.960 -0.000 0.000 0.289 53 G C -1.397 173.559 174.900 0.093 0.000 1.302 53 G CA -0.617 44.548 45.100 0.108 0.000 0.936 53 G HN 1.006 nan 8.290 nan 0.000 0.513 54 Q N 1.050 120.903 119.800 0.089 0.000 2.364 54 Q HA 0.386 4.726 4.340 -0.000 0.000 0.267 54 Q C -1.107 174.949 176.000 0.093 0.000 0.999 54 Q CA -0.536 55.313 55.803 0.078 0.000 0.886 54 Q CB 1.067 29.844 28.738 0.064 0.000 1.243 54 Q HN 0.236 nan 8.270 nan 0.000 0.415 55 P HA -0.362 nan 4.420 nan 0.000 0.224 55 P C 0.636 177.990 177.300 0.090 0.000 1.130 55 P CA 2.057 65.207 63.100 0.083 0.000 0.976 55 P CB 0.113 31.846 31.700 0.055 0.000 0.781 56 E N -1.142 119.102 120.200 0.073 0.000 2.230 56 E HA -0.078 4.271 4.350 -0.000 0.000 0.192 56 E C 2.082 178.738 176.600 0.093 0.000 0.987 56 E CA 1.043 57.485 56.400 0.071 0.000 0.841 56 E CB -1.404 28.326 29.700 0.050 0.000 0.783 56 E HN 0.253 nan 8.360 nan 0.000 0.481 57 C N 1.946 121.303 119.300 0.095 0.000 2.432 57 C HA -0.099 4.361 4.460 -0.000 0.000 0.277 57 C C 2.998 178.077 174.990 0.148 0.000 1.249 57 C CA 1.053 60.131 59.018 0.100 0.000 1.725 57 C CB -1.178 26.616 27.740 0.090 0.000 2.028 57 C HN 0.482 nan 8.230 nan 0.000 0.477 58 V N 0.302 120.341 119.914 0.207 0.000 2.332 58 V HA -0.167 3.952 4.120 -0.000 0.000 0.248 58 V C 2.217 178.523 176.094 0.354 0.000 1.055 58 V CA 2.276 64.786 62.300 0.350 0.000 1.038 58 V CB -1.445 30.540 31.823 0.269 0.000 0.651 58 V HN 0.387 nan 8.190 nan 0.000 0.450 59 V N 0.461 120.550 119.914 0.291 0.000 2.332 59 V HA -0.228 3.891 4.120 -0.000 0.000 0.248 59 V C 2.927 179.141 176.094 0.201 0.000 1.055 59 V CA 2.356 64.811 62.300 0.259 0.000 1.038 59 V CB -0.864 31.055 31.823 0.160 0.000 0.651 59 V HN 0.594 nan 8.190 nan 0.000 0.450 60 E N 0.667 120.956 120.200 0.148 0.000 2.013 60 E HA -0.238 4.112 4.350 -0.000 0.000 0.202 60 E C 2.391 179.031 176.600 0.068 0.000 1.018 60 E CA 1.816 58.277 56.400 0.101 0.000 0.834 60 E CB -1.035 28.703 29.700 0.063 0.000 0.770 60 E HN 0.593 nan 8.360 nan 0.000 0.459 61 G N 1.427 110.229 108.800 0.003 0.000 2.513 61 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 61 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 61 G C 1.757 176.587 174.900 -0.117 0.000 1.160 61 G CA 2.160 47.148 45.100 -0.187 0.000 0.767 61 G HN 0.414 nan 8.290 nan 0.000 0.571 62 A N 0.960 123.824 122.820 0.073 0.000 1.859 62 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 62 A C 2.368 179.999 177.584 0.078 0.000 1.198 62 A CA 2.417 54.411 52.037 -0.072 0.000 0.629 62 A CB -0.604 18.136 19.000 -0.433 0.000 0.830 62 A HN 0.745 nan 8.150 nan 0.000 0.446 63 L N -1.729 119.696 121.223 0.337 0.000 2.341 63 L HA 0.190 4.530 4.340 -0.000 0.000 0.214 63 L C 2.197 179.218 176.870 0.252 0.000 1.115 63 L CA 1.781 56.939 54.840 0.529 0.000 0.820 63 L CB -1.163 41.193 42.059 0.496 0.000 0.944 63 L HN 0.239 nan 8.230 nan 0.000 0.452 64 S N 0.361 116.143 115.700 0.137 0.000 2.423 64 S HA -0.025 4.445 4.470 -0.000 0.000 0.231 64 S C 2.064 176.690 174.600 0.044 0.000 1.014 64 S CA 1.059 59.294 58.200 0.058 0.000 0.965 64 S CB -0.179 63.017 63.200 -0.008 0.000 0.785 64 S HN 0.584 nan 8.310 nan 0.000 0.495 65 A N 0.340 123.201 122.820 0.068 0.000 2.081 65 A HA 0.574 4.894 4.320 -0.000 0.000 0.214 65 A C 2.255 180.001 177.584 0.270 0.000 1.158 65 A CA 1.052 53.128 52.037 0.065 0.000 0.724 65 A CB -0.781 18.244 19.000 0.042 0.000 0.826 65 A HN 0.649 nan 8.150 nan 0.000 0.463 66 A N 1.031 124.086 122.820 0.392 0.000 1.970 66 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 66 A C 2.151 179.981 177.584 0.409 0.000 1.170 66 A CA 1.189 53.542 52.037 0.527 0.000 0.645 66 A CB -0.398 18.931 19.000 0.549 0.000 0.816 66 A HN 0.642 nan 8.150 nan 0.000 0.447 67 R N -1.078 119.568 120.500 0.243 0.000 2.276 67 R HA 0.032 4.371 4.340 -0.000 0.000 0.203 67 R C 1.103 177.475 176.300 0.121 0.000 1.017 67 R CA 1.611 57.809 56.100 0.162 0.000 1.010 67 R CB -0.701 29.657 30.300 0.097 0.000 0.900 67 R HN 0.265 nan 8.270 nan 0.000 0.469 68 T N 0.425 115.031 114.554 0.088 0.000 3.031 68 T HA 0.216 4.565 4.350 -0.000 0.000 0.254 68 T C 1.904 176.599 174.700 -0.008 0.000 1.060 68 T CA 0.678 62.785 62.100 0.012 0.000 1.135 68 T CB 0.361 69.198 68.868 -0.052 0.000 0.896 68 T HN 0.404 nan 8.240 nan 0.000 0.472 69 A N 1.999 124.826 122.820 0.011 0.000 2.016 69 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 69 A C 2.500 180.139 177.584 0.093 0.000 1.162 69 A CA 1.562 53.584 52.037 -0.025 0.000 0.662 69 A CB -0.793 18.192 19.000 -0.025 0.000 0.812 69 A HN 0.525 nan 8.150 nan 0.000 0.450 70 S N -0.057 115.824 115.700 0.303 0.000 2.369 70 S HA -0.231 4.238 4.470 -0.000 0.000 0.225 70 S C 1.249 175.988 174.600 0.230 0.000 1.043 70 S CA 1.578 60.058 58.200 0.466 0.000 1.074 70 S CB -0.495 62.950 63.200 0.408 0.000 0.962 70 S HN 0.482 nan 8.310 nan 0.000 0.433 71 Q N 0.753 120.634 119.800 0.135 0.000 2.412 71 Q HA 0.502 4.841 4.340 -0.000 0.000 0.298 71 Q C 0.334 176.357 176.000 0.038 0.000 0.938 71 Q CA 0.120 55.971 55.803 0.080 0.000 0.968 71 Q CB 0.263 29.036 28.738 0.059 0.000 1.187 71 Q HN 0.654 nan 8.270 nan 0.000 0.421 72 L N -1.090 120.148 121.223 0.024 0.000 4.183 72 L HA 0.347 4.687 4.340 -0.000 0.000 0.406 72 L C -0.311 176.539 176.870 -0.033 0.000 1.119 72 L CA 0.235 55.066 54.840 -0.015 0.000 1.467 72 L CB 1.112 43.144 42.059 -0.045 0.000 1.684 72 L HN 0.098 nan 8.230 nan 0.000 0.633 73 I N 0.247 120.794 120.570 -0.038 0.000 2.478 73 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 73 I C -0.977 175.110 176.117 -0.050 0.000 1.042 73 I CA -0.521 60.735 61.300 -0.073 0.000 1.067 73 I CB 2.123 40.031 38.000 -0.154 0.000 1.233 73 I HN -0.058 nan 8.210 nan 0.000 0.431 77 K N 1.473 121.906 120.400 0.055 0.000 2.500 77 K HA 0.160 4.480 4.320 -0.000 0.000 0.206 77 K C -0.649 175.976 176.600 0.042 0.000 1.034 77 K CA -0.040 56.272 56.287 0.040 0.000 1.179 77 K CB 0.329 32.848 32.500 0.031 0.000 0.884 77 K HN 0.108 nan 8.250 nan 0.000 0.493 78 H N 0.584 119.601 119.070 -0.088 0.000 2.457 78 H HA 0.329 4.885 4.556 -0.000 0.000 0.335 78 H C -1.219 174.055 175.328 -0.090 0.000 1.115 78 H CA -0.336 55.644 56.048 -0.114 0.000 1.219 78 H CB 0.927 30.575 29.762 -0.189 0.000 1.471 78 H HN -0.214 nan 8.280 nan 0.000 0.491 79 K N 3.911 123.843 120.400 -0.779 0.000 2.767 79 K HA 0.326 4.646 4.320 -0.000 0.000 0.286 79 K C -1.020 175.285 176.600 -0.491 0.000 1.177 79 K CA -0.223 55.749 56.287 -0.526 0.000 1.078 79 K CB 1.234 33.616 32.500 -0.197 0.000 1.358 79 K HN 0.828 nan 8.250 nan 0.000 0.531 80 G N 0.840 109.318 108.800 -0.537 0.000 2.461 80 G HA2 0.229 4.189 3.960 -0.000 0.000 0.329 80 G HA3 0.229 4.189 3.960 -0.000 0.000 0.329 80 G C -0.253 174.620 174.900 -0.046 0.000 1.170 80 G CA -0.549 44.441 45.100 -0.182 0.000 0.935 80 G HN 0.512 nan 8.290 nan 0.000 0.492 81 E N -0.128 120.082 120.200 0.016 0.000 2.330 81 E HA 0.083 4.433 4.350 -0.000 0.000 0.210 81 E C -0.610 176.070 176.600 0.132 0.000 1.256 81 E CA 0.057 56.486 56.400 0.049 0.000 1.346 81 E CB -0.046 29.678 29.700 0.041 0.000 1.308 81 E HN 0.437 nan 8.360 nan 0.000 0.441 82 H N -0.638 118.438 119.070 0.009 0.000 2.934 82 H HA 0.223 4.779 4.556 -0.000 0.000 0.340 82 H C -2.614 172.730 175.328 0.027 0.000 1.008 82 H CA -2.540 53.518 56.048 0.017 0.000 1.317 82 H CB 1.322 31.097 29.762 0.021 0.000 1.670 82 H HN -0.149 nan 8.280 nan 0.000 0.516 83 P HA -0.110 nan 4.420 nan 0.000 0.196 83 P C -0.014 177.124 177.300 -0.270 0.000 1.360 83 P CA 0.200 63.115 63.100 -0.308 0.000 1.128 83 P CB -0.449 31.064 31.700 -0.312 0.000 1.750 87 A N -1.188 121.219 122.820 -0.689 0.000 2.030 87 A HA 0.584 4.903 4.320 -0.000 0.000 0.215 87 A C 0.890 178.220 177.584 -0.423 0.000 1.164 87 A CA 0.841 52.470 52.037 -0.681 0.000 0.697 87 A CB -0.155 18.224 19.000 -1.036 0.000 0.827 87 A HN 0.666 nan 8.150 nan 0.000 0.457 88 L N 0.981 121.951 121.223 -0.421 0.000 2.366 88 L HA 0.276 4.616 4.340 -0.000 0.000 0.266 88 L C -0.198 176.611 176.870 -0.101 0.000 1.010 88 L CA -0.505 54.144 54.840 -0.318 0.000 0.879 88 L CB 1.064 42.984 42.059 -0.231 0.000 1.228 88 L HN 0.282 nan 8.230 nan 0.000 0.439 89 D N 1.134 121.474 120.400 -0.100 0.000 1.889 89 D HA -0.039 4.601 4.640 -0.000 0.000 0.278 89 D C 0.191 176.494 176.300 0.005 0.000 1.077 89 D CA 0.450 54.436 54.000 -0.023 0.000 0.968 89 D CB 0.491 41.273 40.800 -0.030 0.000 1.201 89 D HN 0.273 nan 8.370 nan 0.000 0.448 90 V N 0.096 120.001 119.914 -0.014 0.000 2.673 90 V HA 0.052 4.172 4.120 -0.000 0.000 0.303 90 V C -0.219 175.914 176.094 0.065 0.000 1.046 90 V CA -0.303 62.009 62.300 0.020 0.000 1.126 90 V CB 0.653 32.412 31.823 -0.106 0.000 0.934 90 V HN 0.521 nan 8.190 nan 0.000 0.487 91 C N 9.575 128.990 119.300 0.190 0.000 2.653 91 C HA 0.724 5.184 4.460 -0.000 0.000 0.291 91 C C -2.469 172.662 174.990 0.236 0.000 1.064 91 C CA -1.340 57.752 59.018 0.123 0.000 1.469 91 C CB 0.562 28.414 27.740 0.187 0.000 1.861 91 C HN 0.995 nan 8.230 nan 0.000 0.434 92 P HA 0.587 nan 4.420 nan 0.000 0.283 92 P C -1.246 175.977 177.300 -0.129 0.000 1.271 92 P CA -0.482 62.723 63.100 0.175 0.000 0.841 92 P CB 1.216 33.017 31.700 0.170 0.000 1.122 93 F N 1.338 121.240 119.950 -0.081 0.000 2.553 93 F HA 0.408 4.934 4.527 -0.000 0.000 0.335 93 F C 0.293 176.046 175.800 -0.079 0.000 1.148 93 F CA -0.692 57.245 58.000 -0.106 0.000 0.963 93 F CB 1.190 40.141 39.000 -0.082 0.000 1.217 93 F HN 0.072 nan 8.300 nan 0.000 0.441 94 I N 2.184 122.766 120.570 0.020 0.000 2.603 94 I HA 0.619 4.789 4.170 -0.000 0.000 0.300 94 I C -2.782 173.390 176.117 0.092 0.000 1.017 94 I CA -2.584 58.743 61.300 0.045 0.000 1.098 94 I CB 1.975 39.970 38.000 -0.009 0.000 1.279 94 I HN 0.174 nan 8.210 nan 0.000 0.437 95 P HA 0.247 nan 4.420 nan 0.000 0.274 95 P C 0.107 177.525 177.300 0.196 0.000 1.231 95 P CA -0.192 62.988 63.100 0.134 0.000 0.790 95 P CB 2.361 34.127 31.700 0.111 0.000 0.951 96 V N 1.411 121.415 119.914 0.151 0.000 3.102 96 V HA 0.198 4.318 4.120 -0.000 0.000 0.225 96 V C 0.825 176.976 176.094 0.096 0.000 1.301 96 V CA 0.882 63.269 62.300 0.144 0.000 1.308 96 V CB -0.136 31.764 31.823 0.128 0.000 1.129 96 V HN 0.664 nan 8.190 nan 0.000 0.502 97 R N -1.017 119.531 120.500 0.081 0.000 2.643 97 R HA 0.667 5.007 4.340 -0.000 0.000 0.269 97 R C 0.658 176.992 176.300 0.057 0.000 1.037 97 R CA 0.145 56.284 56.100 0.065 0.000 0.894 97 R CB 1.514 31.846 30.300 0.053 0.000 1.238 97 R HN 0.416 nan 8.270 nan 0.000 0.459 98 G N 1.076 109.904 108.800 0.048 0.000 3.078 98 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.227 98 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.227 98 G C 0.128 175.052 174.900 0.039 0.000 1.306 98 G CA 0.333 45.457 45.100 0.039 0.000 0.841 98 G HN 0.882 nan 8.290 nan 0.000 0.530 99 V N 2.224 122.166 119.914 0.047 0.000 2.572 99 V HA 0.613 4.733 4.120 -0.000 0.000 0.291 99 V C 0.882 177.003 176.094 0.044 0.000 1.039 99 V CA 1.007 63.334 62.300 0.046 0.000 1.055 99 V CB 1.350 33.205 31.823 0.054 0.000 0.969 99 V HN 1.123 nan 8.190 nan 0.000 0.482 103 E N 0.730 120.936 120.200 0.010 0.000 2.028 103 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 103 E C 1.922 178.524 176.600 0.003 0.000 0.988 103 E CA 1.437 57.843 56.400 0.010 0.000 0.799 103 E CB 0.106 29.819 29.700 0.021 0.000 0.755 103 E HN 0.219 nan 8.360 nan 0.000 0.447 104 C N 0.469 119.780 119.300 0.018 0.000 2.403 104 C HA -0.107 4.353 4.460 -0.000 0.000 0.279 104 C C 2.646 177.625 174.990 -0.018 0.000 1.269 104 C CA 0.286 59.320 59.018 0.027 0.000 1.774 104 C CB -0.881 26.893 27.740 0.057 0.000 1.993 104 C HN 0.265 nan 8.230 nan 0.000 0.496 105 V N 0.432 120.333 119.914 -0.021 0.000 2.427 105 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 105 V C 2.408 178.475 176.094 -0.046 0.000 1.051 105 V CA 1.430 63.710 62.300 -0.033 0.000 1.048 105 V CB -0.560 31.253 31.823 -0.017 0.000 0.666 105 V HN 0.470 nan 8.190 nan 0.000 0.456 106 L N -0.593 120.606 121.223 -0.040 0.000 2.240 106 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 106 L C 2.465 179.278 176.870 -0.095 0.000 1.106 106 L CA 1.494 56.308 54.840 -0.043 0.000 0.793 106 L CB -1.149 40.899 42.059 -0.019 0.000 0.927 106 L HN 0.475 nan 8.230 nan 0.000 0.446 107 C N -0.385 118.829 119.300 -0.144 0.000 2.440 107 C HA -0.067 4.392 4.460 -0.000 0.000 0.278 107 C C 3.013 177.700 174.990 -0.505 0.000 1.295 107 C CA 0.542 59.392 59.018 -0.279 0.000 1.738 107 C CB -1.137 26.435 27.740 -0.280 0.000 1.987 107 C HN 0.577 nan 8.230 nan 0.000 0.492 108 A N 1.015 123.563 122.820 -0.454 0.000 1.933 108 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 108 A C 2.161 179.610 177.584 -0.224 0.000 1.175 108 A CA 1.576 53.387 52.037 -0.376 0.000 0.628 108 A CB -0.360 18.543 19.000 -0.162 0.000 0.814 108 A HN 0.555 nan 8.150 nan 0.000 0.444 109 K N -0.026 120.295 120.400 -0.132 0.000 2.097 109 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 109 K C 2.228 178.727 176.600 -0.168 0.000 1.049 109 K CA 1.305 57.562 56.287 -0.052 0.000 0.933 109 K CB -0.686 31.838 32.500 0.040 0.000 0.717 109 K HN 0.481 nan 8.250 nan 0.000 0.442 110 A N 1.094 123.817 122.820 -0.162 0.000 1.832 110 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 110 A C 2.102 179.590 177.584 -0.161 0.000 1.204 110 A CA 1.022 52.980 52.037 -0.131 0.000 0.606 110 A CB -0.860 18.094 19.000 -0.077 0.000 0.849 110 A HN 0.236 nan 8.150 nan 0.000 0.445 111 F N 1.493 121.250 119.950 -0.322 0.000 2.065 111 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 111 F C 2.350 177.961 175.800 -0.315 0.000 1.112 111 F CA 1.575 59.428 58.000 -0.245 0.000 1.212 111 F CB -0.948 37.921 39.000 -0.218 0.000 0.975 111 F HN 0.198 nan 8.300 nan 0.000 0.476 112 G N -0.648 107.800 108.800 -0.586 0.000 2.476 112 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.218 112 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.218 112 G C 1.563 175.684 174.900 -1.297 0.000 1.164 112 G CA 0.973 45.491 45.100 -0.970 0.000 0.768 112 G HN 0.505 nan 8.290 nan 0.000 0.560 113 Q N -0.224 118.803 119.800 -1.289 0.000 1.916 113 Q HA -0.024 4.316 4.340 -0.000 0.000 0.203 113 Q C 2.769 178.584 176.000 -0.308 0.000 0.983 113 Q CA 0.941 56.381 55.803 -0.605 0.000 0.846 113 Q CB -0.126 28.545 28.738 -0.112 0.000 0.909 113 Q HN 0.367 nan 8.270 nan 0.000 0.427 114 R N 0.077 120.431 120.500 -0.243 0.000 2.226 114 R HA -0.195 4.144 4.340 -0.000 0.000 0.246 114 R C 2.214 178.390 176.300 -0.207 0.000 1.161 114 R CA 1.127 57.135 56.100 -0.154 0.000 0.997 114 R CB -0.263 29.993 30.300 -0.073 0.000 0.870 114 R HN 0.299 nan 8.270 nan 0.000 0.465 115 L N -0.247 120.748 121.223 -0.381 0.000 2.056 115 L HA 0.074 4.414 4.340 -0.000 0.000 0.202 115 L C 2.144 178.804 176.870 -0.350 0.000 1.086 115 L CA 1.865 56.440 54.840 -0.440 0.000 0.758 115 L CB -0.732 40.818 42.059 -0.849 0.000 0.912 115 L HN 0.049 nan 8.230 nan 0.000 0.446 116 A N -0.650 121.958 122.820 -0.353 0.000 2.139 116 A HA -0.180 4.140 4.320 -0.000 0.000 0.221 116 A C 2.032 179.511 177.584 -0.175 0.000 1.159 116 A CA 1.722 53.603 52.037 -0.260 0.000 0.662 116 A CB -0.603 18.292 19.000 -0.175 0.000 0.796 116 A HN 0.651 nan 8.150 nan 0.000 0.463 117 E N 0.027 120.139 120.200 -0.147 0.000 2.021 117 E HA -0.124 4.226 4.350 -0.000 0.000 0.189 117 E C 1.559 178.100 176.600 -0.099 0.000 0.980 117 E CA 1.051 57.395 56.400 -0.093 0.000 0.803 117 E CB -0.481 29.179 29.700 -0.065 0.000 0.766 117 E HN 0.760 nan 8.360 nan 0.000 0.449 118 E N 0.187 120.320 120.200 -0.112 0.000 2.516 118 E HA 0.013 4.362 4.350 -0.000 0.000 0.199 118 E C 1.690 178.225 176.600 -0.109 0.000 1.069 118 E CA 0.137 56.484 56.400 -0.087 0.000 0.876 118 E CB 0.269 29.931 29.700 -0.064 0.000 0.843 118 E HN 0.140 nan 8.360 nan 0.000 0.530 119 L N -0.615 120.506 121.223 -0.170 0.000 2.641 119 L HA 0.145 4.485 4.340 -0.000 0.000 0.207 119 L C 0.236 176.989 176.870 -0.195 0.000 1.049 119 L CA -0.093 54.617 54.840 -0.218 0.000 0.866 119 L CB 0.691 42.504 42.059 -0.410 0.000 1.264 119 L HN -0.022 nan 8.230 nan 0.000 0.483 120 N N 1.113 119.693 118.700 -0.199 0.000 2.682 120 N HA -0.112 4.628 4.740 -0.000 0.000 0.269 120 N C -1.203 174.179 175.510 -0.212 0.000 1.193 120 N CA 0.757 53.713 53.050 -0.157 0.000 0.660 120 N CB -0.569 37.863 38.487 -0.092 0.000 0.905 120 N HN 0.151 nan 8.380 nan 0.000 0.558 121 V N -0.521 119.231 119.914 -0.271 0.000 3.120 121 V HA 0.753 4.873 4.120 -0.000 0.000 0.303 121 V C -2.678 173.258 176.094 -0.264 0.000 1.238 121 V CA -1.855 60.252 62.300 -0.323 0.000 1.008 121 V CB 2.149 33.562 31.823 -0.682 0.000 1.064 121 V HN 0.075 nan 8.190 nan 0.000 0.434 122 P HA 0.421 nan 4.420 nan 0.000 0.276 122 P C -0.820 176.186 177.300 -0.491 0.000 1.253 122 P CA 0.068 62.979 63.100 -0.315 0.000 0.766 122 P CB 1.271 32.819 31.700 -0.253 0.000 0.845 123 V N 6.220 125.825 119.914 -0.516 0.000 2.577 123 V HA 0.571 4.691 4.120 -0.000 0.000 0.303 123 V C -1.760 174.116 176.094 -0.362 0.000 1.042 123 V CA -0.762 61.265 62.300 -0.455 0.000 0.872 123 V CB 0.857 32.546 31.823 -0.224 0.000 0.998 123 V HN 0.326 nan 8.190 nan 0.000 0.423 124 Y N 6.286 126.687 120.300 0.169 0.000 2.364 124 Y HA 0.663 5.213 4.550 -0.000 0.000 0.340 124 Y C 0.207 176.252 175.900 0.241 0.000 0.975 124 Y CA -1.451 56.776 58.100 0.212 0.000 1.089 124 Y CB 1.298 39.877 38.460 0.199 0.000 1.192 124 Y HN 0.781 nan 8.280 nan 0.000 0.454 125 L N 2.662 124.128 121.223 0.404 0.000 2.371 125 L HA 0.663 5.003 4.340 -0.000 0.000 0.272 125 L C -0.729 176.340 176.870 0.331 0.000 1.124 125 L CA -0.760 54.276 54.840 0.328 0.000 0.816 125 L CB 0.623 42.834 42.059 0.255 0.000 1.129 125 L HN 0.803 nan 8.230 nan 0.000 0.448 126 Y N 2.074 122.479 120.300 0.174 0.000 2.686 126 Y HA 0.900 5.450 4.550 -0.000 0.000 0.330 126 Y C 0.623 176.587 175.900 0.107 0.000 1.082 126 Y CA -0.184 57.997 58.100 0.136 0.000 1.158 126 Y CB 0.781 39.319 38.460 0.130 0.000 1.333 126 Y HN 1.100 nan 8.280 nan 0.000 0.519 127 G N 1.126 109.874 108.800 -0.087 0.000 2.552 127 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.265 127 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.265 127 G C 0.450 175.273 174.900 -0.129 0.000 1.234 127 G CA 0.375 45.338 45.100 -0.227 0.000 0.944 127 G HN 0.815 nan 8.290 nan 0.000 0.568 128 E N 0.990 121.107 120.200 -0.139 0.000 2.492 128 E HA 0.012 4.362 4.350 -0.000 0.000 0.204 128 E C 2.070 178.634 176.600 -0.059 0.000 1.073 128 E CA 1.467 57.824 56.400 -0.071 0.000 0.887 128 E CB -0.439 29.226 29.700 -0.057 0.000 0.813 128 E HN 0.780 nan 8.360 nan 0.000 0.562 129 A N 1.446 124.217 122.820 -0.082 0.000 2.383 129 A HA 0.458 4.778 4.320 -0.000 0.000 0.225 129 A C 1.027 178.624 177.584 0.021 0.000 1.946 129 A CA 0.393 52.413 52.037 -0.027 0.000 0.739 129 A CB -0.828 18.153 19.000 -0.031 0.000 1.405 129 A HN 0.191 nan 8.150 nan 0.000 0.548 130 A N 0.119 122.974 122.820 0.058 0.000 2.583 130 A HA 0.069 4.389 4.320 -0.000 0.000 0.254 130 A C 0.262 177.878 177.584 0.054 0.000 0.960 130 A CA 0.966 53.058 52.037 0.092 0.000 0.904 130 A CB -0.493 18.583 19.000 0.128 0.000 0.827 130 A HN 0.622 nan 8.150 nan 0.000 0.450 134 S N -1.460 114.234 115.700 -0.010 0.000 2.744 134 S HA 0.223 4.693 4.470 -0.000 0.000 0.265 134 S C 1.303 175.918 174.600 0.026 0.000 1.065 134 S CA -0.493 57.694 58.200 -0.022 0.000 1.191 134 S CB 0.521 63.660 63.200 -0.101 0.000 1.150 134 S HN 0.071 nan 8.310 nan 0.000 0.646 135 R N 1.392 121.928 120.500 0.060 0.000 2.365 135 R HA 0.189 4.529 4.340 -0.000 0.000 0.223 135 R C 2.061 178.469 176.300 0.181 0.000 0.899 135 R CA 0.530 56.707 56.100 0.127 0.000 1.059 135 R CB 0.065 30.450 30.300 0.141 0.000 1.086 135 R HN 0.641 nan 8.270 nan 0.000 0.522 136 Q N 0.212 120.097 119.800 0.142 0.000 2.170 136 Q HA -0.060 4.280 4.340 -0.000 0.000 0.203 136 Q C 0.750 176.885 176.000 0.226 0.000 0.976 136 Q CA 1.259 57.163 55.803 0.168 0.000 0.858 136 Q CB -0.297 28.496 28.738 0.093 0.000 0.907 136 Q HN -0.077 nan 8.270 nan 0.000 0.433 137 T N 0.544 115.190 114.554 0.154 0.000 2.737 137 T HA 0.194 4.544 4.350 -0.000 0.000 0.296 137 T C 0.752 175.508 174.700 0.093 0.000 0.922 137 T CA -0.594 61.579 62.100 0.122 0.000 1.079 137 T CB 0.816 69.730 68.868 0.076 0.000 0.892 137 T HN 0.359 nan 8.240 nan 0.000 0.514 138 L N 7.832 129.070 121.223 0.025 0.000 2.027 138 L HA 0.201 4.541 4.340 -0.000 0.000 0.206 138 L C -0.677 176.129 176.870 -0.107 0.000 1.074 138 L CA 1.549 56.288 54.840 -0.169 0.000 0.745 138 L CB -1.088 40.713 42.059 -0.429 0.000 0.898 138 L HN 0.510 nan 8.230 nan 0.000 0.433 139 P HA -0.160 nan 4.420 nan 0.000 0.219 139 P C 1.391 178.677 177.300 -0.023 0.000 1.146 139 P CA 1.855 64.927 63.100 -0.048 0.000 0.808 139 P CB -0.193 31.494 31.700 -0.022 0.000 0.779 140 A N -0.242 122.591 122.820 0.021 0.000 1.898 140 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 140 A C 2.290 179.934 177.584 0.101 0.000 1.181 140 A CA 1.165 53.254 52.037 0.086 0.000 0.620 140 A CB -1.499 17.575 19.000 0.123 0.000 0.819 140 A HN 0.107 nan 8.150 nan 0.000 0.442 141 I N -0.449 120.142 120.570 0.034 0.000 2.179 141 I HA -0.170 4.000 4.170 -0.000 0.000 0.242 141 I C 1.568 177.481 176.117 -0.340 0.000 1.088 141 I CA 0.871 62.083 61.300 -0.148 0.000 1.357 141 I CB -0.128 37.792 38.000 -0.133 0.000 1.051 141 I HN 0.160 nan 8.210 nan 0.000 0.409 142 R N 1.514 121.894 120.500 -0.201 0.000 4.885 142 R HA -0.014 4.326 4.340 -0.000 0.000 0.170 142 R C 0.642 176.822 176.300 -0.201 0.000 2.294 142 R CA 0.196 56.187 56.100 -0.181 0.000 1.799 142 R CB -0.715 29.507 30.300 -0.130 0.000 1.269 142 R HN 0.292 nan 8.270 nan 0.000 0.786 143 A N 1.106 123.722 122.820 -0.340 0.000 3.078 143 A HA 0.126 4.446 4.320 -0.000 0.000 0.258 143 A C 1.279 178.747 177.584 -0.194 0.000 1.971 143 A CA 0.754 52.597 52.037 -0.323 0.000 1.524 143 A CB -0.811 17.786 19.000 -0.672 0.000 0.871 143 A HN 0.694 nan 8.150 nan 0.000 0.609 144 G N 0.214 108.942 108.800 -0.120 0.000 2.204 144 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.244 144 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.244 144 G C 0.111 174.978 174.900 -0.056 0.000 1.062 144 G CA 0.719 45.775 45.100 -0.073 0.000 0.798 144 G HN 2.076 nan 8.290 nan 0.000 0.496 145 E N -3.331 116.832 120.200 -0.061 0.000 3.675 145 E HA -0.484 3.866 4.350 -0.000 0.000 0.252 145 E C 0.987 177.633 176.600 0.077 0.000 1.502 145 E CA 1.178 57.579 56.400 0.001 0.000 2.293 145 E CB -1.115 28.598 29.700 0.021 0.000 2.078 145 E HN 1.170 nan 8.360 nan 0.000 0.461 146 Y N 1.941 122.244 120.300 0.005 0.000 1.997 146 Y HA -0.216 4.334 4.550 -0.000 0.000 0.265 146 Y C 0.907 176.854 175.900 0.079 0.000 1.193 146 Y CA 2.623 60.758 58.100 0.059 0.000 1.106 146 Y CB -0.712 37.805 38.460 0.094 0.000 0.940 146 Y HN 0.489 nan 8.280 nan 0.000 0.494 147 E N 0.033 120.193 120.200 -0.067 0.000 1.791 147 E HA 0.418 4.767 4.350 -0.000 0.000 0.263 147 E C 0.413 176.963 176.600 -0.083 0.000 1.213 147 E CA 0.554 56.873 56.400 -0.137 0.000 0.991 147 E CB 0.222 29.873 29.700 -0.081 0.000 1.068 147 E HN 0.429 nan 8.360 nan 0.000 0.417 148 A N 2.016 124.768 122.820 -0.114 0.000 1.621 148 A HA 0.109 4.429 4.320 -0.000 0.000 0.212 148 A C 1.427 178.893 177.584 -0.197 0.000 1.760 148 A CA -0.294 51.651 52.037 -0.154 0.000 1.251 148 A CB -0.399 18.476 19.000 -0.208 0.000 1.168 148 A HN 0.426 nan 8.150 nan 0.000 0.463 149 L N 1.182 122.208 121.223 -0.328 0.000 2.197 149 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 149 L C -0.874 175.773 176.870 -0.372 0.000 1.095 149 L CA 1.585 56.077 54.840 -0.579 0.000 0.764 149 L CB -1.111 40.217 42.059 -1.218 0.000 0.897 149 L HN 0.338 nan 8.230 nan 0.000 0.436 150 P HA -0.145 nan 4.420 nan 0.000 0.242 150 P C 0.460 177.822 177.300 0.102 0.000 1.198 150 P CA 1.382 64.653 63.100 0.284 0.000 0.756 150 P CB 0.023 31.864 31.700 0.235 0.000 0.911 151 E N -1.852 118.359 120.200 0.019 0.000 2.624 151 E HA 0.115 4.465 4.350 -0.000 0.000 0.192 151 E C 1.443 178.050 176.600 0.012 0.000 0.961 151 E CA -0.389 56.024 56.400 0.023 0.000 1.632 151 E CB -0.433 29.282 29.700 0.024 0.000 2.082 151 E HN -0.056 nan 8.360 nan 0.000 1.040 152 K N 1.217 121.586 120.400 -0.052 0.000 2.314 152 K HA 0.127 4.447 4.320 -0.000 0.000 0.198 152 K C 1.584 178.198 176.600 0.023 0.000 1.045 152 K CA 0.839 57.096 56.287 -0.049 0.000 0.988 152 K CB 0.116 32.440 32.500 -0.293 0.000 0.783 152 K HN 0.158 nan 8.250 nan 0.000 0.484 153 L N -0.599 120.606 121.223 -0.030 0.000 2.660 153 L HA 0.196 4.535 4.340 -0.000 0.000 0.238 153 L C 0.720 177.627 176.870 0.061 0.000 1.161 153 L CA 0.763 55.623 54.840 0.033 0.000 0.937 153 L CB -0.220 41.804 42.059 -0.058 0.000 1.122 153 L HN -0.184 nan 8.230 nan 0.000 0.435 154 K N 1.017 121.461 120.400 0.074 0.000 3.253 154 K HA 0.364 4.684 4.320 -0.000 0.000 0.174 154 K C -0.882 175.772 176.600 0.090 0.000 1.071 154 K CA -0.067 56.264 56.287 0.073 0.000 0.836 154 K CB 0.418 32.953 32.500 0.059 0.000 0.922 154 K HN 0.389 nan 8.250 nan 0.000 0.565 155 Q N 0.071 119.946 119.800 0.124 0.000 2.263 155 Q HA 0.312 4.652 4.340 -0.000 0.000 0.266 155 Q C 0.321 176.374 176.000 0.088 0.000 1.002 155 Q CA -0.298 55.576 55.803 0.119 0.000 0.790 155 Q CB 2.002 30.854 28.738 0.189 0.000 1.272 155 Q HN 0.419 nan 8.270 nan 0.000 0.435 156 A N 2.369 125.213 122.820 0.040 0.000 2.054 156 A HA -0.297 4.023 4.320 -0.000 0.000 0.223 156 A C 1.710 179.280 177.584 -0.024 0.000 1.169 156 A CA 2.293 54.336 52.037 0.010 0.000 0.655 156 A CB -0.197 18.800 19.000 -0.005 0.000 0.812 156 A HN 0.879 nan 8.150 nan 0.000 0.462 157 E N -1.381 118.786 120.200 -0.055 0.000 2.008 157 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 157 E C 1.062 177.524 176.600 -0.230 0.000 0.986 157 E CA 0.899 57.179 56.400 -0.200 0.000 0.807 157 E CB -0.186 29.345 29.700 -0.281 0.000 0.766 157 E HN 0.795 nan 8.360 nan 0.000 0.450 158 W N 1.615 122.914 121.300 -0.002 0.000 3.433 158 W HA 0.189 4.848 4.660 -0.000 0.000 0.376 158 W C -0.338 176.226 176.519 0.075 0.000 1.160 158 W CA -0.824 56.522 57.345 0.002 0.000 1.832 158 W CB 0.386 29.833 29.460 -0.022 0.000 1.011 158 W HN -0.136 nan 8.180 nan 0.000 0.766 159 V N 3.406 123.454 119.914 0.224 0.000 2.539 159 V HA -0.084 4.036 4.120 -0.000 0.000 0.300 159 V C -1.522 174.736 176.094 0.273 0.000 1.019 159 V CA -1.105 61.307 62.300 0.186 0.000 1.160 159 V CB -0.204 31.668 31.823 0.081 0.000 0.901 159 V HN -0.135 nan 8.190 nan 0.000 0.481 160 P HA 0.141 nan 4.420 nan 0.000 0.268 160 P C 0.031 177.407 177.300 0.127 0.000 1.205 160 P CA -0.173 63.083 63.100 0.260 0.000 0.771 160 P CB 0.560 32.205 31.700 -0.091 0.000 0.858 161 D N 0.852 121.356 120.400 0.173 0.000 2.269 161 D HA 0.038 4.678 4.640 -0.000 0.000 0.208 161 D C 0.051 176.212 176.300 -0.232 0.000 0.963 161 D CA 1.408 55.422 54.000 0.023 0.000 0.864 161 D CB -0.192 40.701 40.800 0.155 0.000 0.936 161 D HN 0.315 nan 8.370 nan 0.000 0.505 162 F N -1.118 118.793 119.950 -0.066 0.000 2.626 162 F HA 0.536 5.062 4.527 -0.000 0.000 0.311 162 F C 0.453 176.155 175.800 -0.163 0.000 1.088 162 F CA -0.746 57.189 58.000 -0.108 0.000 0.949 162 F CB 2.169 41.092 39.000 -0.128 0.000 1.322 162 F HN -0.053 nan 8.300 nan 0.000 0.461 163 G N 2.562 111.398 108.800 0.061 0.000 2.850 163 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.686 163 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.686 163 G C -2.526 172.340 174.900 -0.058 0.000 1.164 163 G CA -1.128 43.943 45.100 -0.048 0.000 0.826 163 G HN 0.467 nan 8.290 nan 0.000 0.586 164 P HA -0.109 nan 4.420 nan 0.000 0.225 164 P C 1.321 178.609 177.300 -0.020 0.000 0.928 164 P CA 2.285 65.366 63.100 -0.031 0.000 1.055 164 P CB 0.039 31.722 31.700 -0.027 0.000 0.635 165 S N -4.619 111.074 115.700 -0.012 0.000 2.599 165 S HA 0.088 4.558 4.470 -0.000 0.000 0.217 165 S C 0.159 174.767 174.600 0.013 0.000 0.852 165 S CA -0.297 57.907 58.200 0.006 0.000 1.521 165 S CB -0.388 62.827 63.200 0.026 0.000 1.269 165 S HN 0.189 nan 8.310 nan 0.000 0.607 166 S N 1.277 116.985 115.700 0.013 0.000 2.603 166 S HA 0.680 5.150 4.470 -0.000 0.000 0.268 166 S C -0.986 173.686 174.600 0.121 0.000 1.317 166 S CA 0.017 58.255 58.200 0.063 0.000 1.012 166 S CB 0.314 63.540 63.200 0.044 0.000 0.926 166 S HN 0.266 nan 8.310 nan 0.000 0.539 167 F N 3.419 123.381 119.950 0.020 0.000 2.458 167 F HA 0.596 5.123 4.527 -0.000 0.000 0.336 167 F C -0.661 175.171 175.800 0.055 0.000 1.114 167 F CA -1.407 56.618 58.000 0.041 0.000 0.987 167 F CB 1.237 40.256 39.000 0.032 0.000 1.130 167 F HN 0.252 nan 8.300 nan 0.000 0.458 168 V N 8.226 128.510 119.914 0.617 0.000 2.513 168 V HA 0.348 4.467 4.120 -0.000 0.000 0.299 168 V C -1.629 174.620 176.094 0.258 0.000 1.035 168 V CA -1.419 61.070 62.300 0.315 0.000 0.889 168 V CB 1.664 33.655 31.823 0.280 0.000 0.988 168 V HN 0.601 nan 8.190 nan 0.000 0.440 169 P HA -0.120 nan 4.420 nan 0.000 0.215 169 P C 1.025 178.446 177.300 0.201 0.000 1.157 169 P CA 1.601 64.725 63.100 0.041 0.000 0.868 169 P CB 0.165 31.874 31.700 0.015 0.000 0.788 170 S N -3.907 111.921 115.700 0.213 0.000 2.597 170 S HA 0.126 4.596 4.470 -0.000 0.000 0.224 170 S C 0.273 175.025 174.600 0.253 0.000 0.955 170 S CA -0.616 57.697 58.200 0.189 0.000 0.933 170 S CB -0.475 62.809 63.200 0.140 0.000 0.788 170 S HN 0.218 nan 8.310 nan 0.000 0.488 171 W N 0.146 121.555 121.300 0.181 0.000 3.029 171 W HA 0.602 5.262 4.660 -0.000 0.000 0.339 171 W C -0.582 176.121 176.519 0.307 0.000 1.198 171 W CA -0.817 56.633 57.345 0.174 0.000 1.148 171 W CB 1.898 31.435 29.460 0.128 0.000 1.451 171 W HN 0.038 nan 8.180 nan 0.000 0.564 172 G N 1.939 111.098 108.800 0.599 0.000 5.077 172 G HA2 0.532 4.492 3.960 -0.000 0.000 0.230 172 G HA3 0.532 4.492 3.960 -0.000 0.000 0.230 172 G C -0.246 174.886 174.900 0.386 0.000 0.924 172 G CA 0.455 45.850 45.100 0.492 0.000 0.770 172 G HN 1.323 nan 8.290 nan 0.000 0.512 173 A N -0.784 122.327 122.820 0.485 0.000 2.556 173 A HA 0.251 4.570 4.320 -0.000 0.000 0.682 173 A C 0.063 177.878 177.584 0.384 0.000 0.218 173 A CA 0.576 52.778 52.037 0.275 0.000 0.079 173 A CB -1.204 17.914 19.000 0.197 0.000 3.949 173 A HN 1.296 nan 8.150 nan 0.000 0.546 174 T N -0.049 114.645 114.554 0.232 0.000 2.923 174 T HA 0.672 5.022 4.350 -0.000 0.000 0.311 174 T C -0.474 174.346 174.700 0.201 0.000 1.183 174 T CA 0.112 62.366 62.100 0.257 0.000 1.020 174 T CB 1.683 70.754 68.868 0.338 0.000 1.165 174 T HN 2.175 nan 8.240 nan 0.000 0.482 175 V N 0.350 120.410 119.914 0.244 0.000 2.409 175 V HA 0.727 4.847 4.120 -0.000 0.000 0.290 175 V C 0.083 176.404 176.094 0.378 0.000 1.017 175 V CA -0.538 61.950 62.300 0.313 0.000 0.841 175 V CB 0.944 32.929 31.823 0.271 0.000 1.003 175 V HN 0.820 nan 8.190 nan 0.000 0.426 176 T N 3.778 118.563 114.554 0.386 0.000 2.824 176 T HA 0.888 5.237 4.350 -0.000 0.000 0.277 176 T C 0.485 175.438 174.700 0.423 0.000 0.975 176 T CA 0.638 63.008 62.100 0.449 0.000 0.966 176 T CB 1.359 70.438 68.868 0.350 0.000 1.054 176 T HN 1.636 nan 8.240 nan 0.000 0.533 177 G N -0.733 108.228 108.800 0.268 0.000 2.324 177 G HA2 0.549 4.509 3.960 -0.000 0.000 0.293 177 G HA3 0.549 4.509 3.960 -0.000 0.000 0.293 177 G C -2.081 172.774 174.900 -0.076 0.000 1.297 177 G CA -0.135 44.900 45.100 -0.108 0.000 0.853 177 G HN 0.900 nan 8.290 nan 0.000 0.535 178 A N -0.266 122.407 122.820 -0.244 0.000 2.427 178 A HA 0.939 5.258 4.320 -0.000 0.000 0.298 178 A C -0.095 177.393 177.584 -0.160 0.000 1.036 178 A CA -0.094 51.885 52.037 -0.098 0.000 0.701 178 A CB 1.425 20.410 19.000 -0.025 0.000 1.250 178 A HN 1.436 nan 8.150 nan 0.000 0.412 179 R N 0.689 121.146 120.500 -0.072 0.000 3.076 179 R HA 0.814 5.154 4.340 -0.000 0.000 0.239 179 R C -0.458 175.856 176.300 0.022 0.000 1.392 179 R CA -0.972 55.110 56.100 -0.030 0.000 1.044 179 R CB 0.601 30.912 30.300 0.018 0.000 1.389 179 R HN 0.414 nan 8.270 nan 0.000 0.498 180 K N 0.106 120.535 120.400 0.049 0.000 2.107 180 K HA 0.201 4.521 4.320 -0.000 0.000 0.251 180 K C -1.002 175.694 176.600 0.160 0.000 1.012 180 K CA -0.584 55.761 56.287 0.097 0.000 0.920 180 K CB 0.367 32.910 32.500 0.072 0.000 1.033 180 K HN 0.445 nan 8.250 nan 0.000 0.478 181 F N 3.160 123.176 119.950 0.110 0.000 2.529 181 F HA 0.260 4.787 4.527 -0.001 0.000 0.365 181 F C -0.558 175.331 175.800 0.148 0.000 1.102 181 F CA -0.370 57.712 58.000 0.136 0.000 1.271 181 F CB 0.323 39.445 39.000 0.204 0.000 1.120 181 F HN 0.373 nan 8.300 nan 0.000 0.579 182 L N 7.747 129.069 121.223 0.165 0.000 2.322 182 L HA 0.640 4.980 4.340 -0.000 0.000 0.281 182 L C -1.390 175.648 176.870 0.280 0.000 1.014 182 L CA -0.344 54.615 54.840 0.197 0.000 0.815 182 L CB 1.015 43.090 42.059 0.026 0.000 1.247 182 L HN 0.529 nan 8.230 nan 0.000 0.421 183 I N 4.619 125.365 120.570 0.292 0.000 2.441 183 I HA 0.615 4.785 4.170 -0.000 0.000 0.295 183 I C 0.162 176.375 176.117 0.160 0.000 0.994 183 I CA -0.882 60.556 61.300 0.230 0.000 1.144 183 I CB 1.943 40.010 38.000 0.112 0.000 1.314 183 I HN 0.789 nan 8.210 nan 0.000 0.445 184 A N 6.342 129.252 122.820 0.149 0.000 2.269 184 A HA 0.596 4.915 4.320 -0.000 0.000 0.302 184 A C -1.037 176.704 177.584 0.263 0.000 1.266 184 A CA -0.029 52.097 52.037 0.149 0.000 0.894 184 A CB 0.024 19.079 19.000 0.092 0.000 1.147 184 A HN 0.495 nan 8.150 nan 0.000 0.537 185 F N 3.198 123.171 119.950 0.039 0.000 2.529 185 F HA 0.506 5.033 4.527 -0.000 0.000 0.320 185 F C -0.886 174.944 175.800 0.049 0.000 1.118 185 F CA -1.607 56.420 58.000 0.046 0.000 0.915 185 F CB 1.955 40.984 39.000 0.049 0.000 1.161 185 F HN 0.547 nan 8.300 nan 0.000 0.445 186 N N 6.074 124.649 118.700 -0.209 0.000 2.319 186 N HA 0.547 5.287 4.740 -0.000 0.000 0.305 186 N C -1.084 174.149 175.510 -0.460 0.000 1.103 186 N CA -0.391 52.517 53.050 -0.237 0.000 0.815 186 N CB 2.535 40.996 38.487 -0.043 0.000 1.288 186 N HN 0.440 nan 8.380 nan 0.000 0.493 187 I N 1.475 121.870 120.570 -0.291 0.000 2.389 187 I HA 0.243 4.413 4.170 -0.000 0.000 0.288 187 I C -0.399 175.655 176.117 -0.106 0.000 0.999 187 I CA -0.832 60.330 61.300 -0.229 0.000 1.129 187 I CB 1.297 39.169 38.000 -0.214 0.000 1.288 187 I HN 0.128 nan 8.210 nan 0.000 0.444 188 N N 7.180 125.843 118.700 -0.062 0.000 2.405 188 N HA 0.363 5.103 4.740 -0.000 0.000 0.260 188 N C -0.720 174.758 175.510 -0.054 0.000 1.152 188 N CA 0.040 53.063 53.050 -0.046 0.000 0.948 188 N CB 1.058 39.534 38.487 -0.019 0.000 1.111 188 N HN 0.473 nan 8.380 nan 0.000 0.485 189 L N 2.298 123.475 121.223 -0.076 0.000 2.307 189 L HA 0.345 4.685 4.340 -0.000 0.000 0.284 189 L C 1.172 177.986 176.870 -0.092 0.000 1.023 189 L CA -0.515 54.278 54.840 -0.077 0.000 0.810 189 L CB 1.744 43.758 42.059 -0.074 0.000 1.231 189 L HN 0.374 nan 8.230 nan 0.000 0.423 190 L N 2.766 123.948 121.223 -0.068 0.000 2.718 190 L HA 0.027 4.367 4.340 -0.000 0.000 0.242 190 L C 1.102 177.933 176.870 -0.064 0.000 1.203 190 L CA 0.019 54.818 54.840 -0.068 0.000 1.011 190 L CB -0.545 41.490 42.059 -0.041 0.000 1.250 190 L HN 0.817 nan 8.230 nan 0.000 0.437 191 S N -2.330 113.326 115.700 -0.075 0.000 2.666 191 S HA 0.334 4.804 4.470 -0.000 0.000 0.230 191 S C 0.388 174.963 174.600 -0.042 0.000 1.146 191 S CA -0.244 57.929 58.200 -0.045 0.000 1.162 191 S CB 1.339 64.520 63.200 -0.030 0.000 1.085 191 S HN 0.117 nan 8.310 nan 0.000 0.514 192 T N -1.225 113.328 114.554 -0.001 0.000 2.893 192 T HA 0.422 4.772 4.350 -0.000 0.000 0.291 192 T C 0.561 175.311 174.700 0.082 0.000 1.028 192 T CA -0.665 61.473 62.100 0.064 0.000 0.995 192 T CB 1.629 70.542 68.868 0.075 0.000 1.051 192 T HN 0.715 nan 8.240 nan 0.000 0.470 193 K N 1.688 122.199 120.400 0.184 0.000 2.127 193 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 193 K C 1.599 178.281 176.600 0.136 0.000 1.047 193 K CA 2.296 58.692 56.287 0.183 0.000 0.927 193 K CB -0.028 32.616 32.500 0.240 0.000 0.716 193 K HN 0.689 nan 8.250 nan 0.000 0.450 194 E N 0.423 120.685 120.200 0.104 0.000 2.028 194 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 194 E C 2.183 178.855 176.600 0.119 0.000 0.988 194 E CA 1.639 58.099 56.400 0.100 0.000 0.799 194 E CB -0.012 29.726 29.700 0.064 0.000 0.755 194 E HN 0.356 nan 8.360 nan 0.000 0.447 195 Q N 0.068 119.916 119.800 0.080 0.000 2.030 195 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 195 Q C 2.305 178.339 176.000 0.056 0.000 0.986 195 Q CA 1.538 57.374 55.803 0.055 0.000 0.843 195 Q CB -0.340 28.415 28.738 0.029 0.000 0.904 195 Q HN 0.313 nan 8.270 nan 0.000 0.420 196 A N 0.656 123.512 122.820 0.060 0.000 1.892 196 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 196 A C 1.826 179.463 177.584 0.088 0.000 1.188 196 A CA 2.177 54.246 52.037 0.053 0.000 0.631 196 A CB -0.994 18.037 19.000 0.051 0.000 0.822 196 A HN 0.531 nan 8.150 nan 0.000 0.447 197 H N -0.582 118.517 119.070 0.049 0.000 2.387 197 H HA -0.082 4.474 4.556 -0.000 0.000 0.299 197 H C 2.185 177.535 175.328 0.037 0.000 1.090 197 H CA 1.820 57.901 56.048 0.056 0.000 1.332 197 H CB -0.132 29.674 29.762 0.073 0.000 1.386 197 H HN 0.497 nan 8.280 nan 0.000 0.516 198 R N 0.476 120.997 120.500 0.035 0.000 2.113 198 R HA -0.154 4.185 4.340 -0.000 0.000 0.231 198 R C 2.246 178.500 176.300 -0.076 0.000 1.129 198 R CA 2.222 58.305 56.100 -0.027 0.000 0.915 198 R CB -0.586 29.728 30.300 0.023 0.000 0.837 198 R HN 0.426 nan 8.270 nan 0.000 0.430 199 I N 0.940 121.484 120.570 -0.043 0.000 2.147 199 I HA -0.379 3.791 4.170 -0.000 0.000 0.245 199 I C 2.580 178.652 176.117 -0.074 0.000 1.059 199 I CA 1.798 63.068 61.300 -0.050 0.000 1.320 199 I CB -0.544 37.431 38.000 -0.041 0.000 1.021 199 I HN 0.470 nan 8.210 nan 0.000 0.415 200 A N 0.420 123.180 122.820 -0.101 0.000 1.930 200 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 200 A C 2.249 179.747 177.584 -0.144 0.000 1.175 200 A CA 1.269 53.239 52.037 -0.112 0.000 0.627 200 A CB -0.720 18.218 19.000 -0.104 0.000 0.815 200 A HN 0.417 nan 8.150 nan 0.000 0.443 201 L N -0.372 120.715 121.223 -0.226 0.000 2.131 201 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 201 L C 2.163 178.979 176.870 -0.089 0.000 1.092 201 L CA 1.475 56.209 54.840 -0.178 0.000 0.759 201 L CB -0.485 41.453 42.059 -0.201 0.000 0.903 201 L HN 0.514 nan 8.230 nan 0.000 0.435 202 N N -0.721 117.934 118.700 -0.076 0.000 2.300 202 N HA -0.063 4.676 4.740 -0.000 0.000 0.179 202 N C 1.785 177.274 175.510 -0.036 0.000 1.016 202 N CA 0.569 53.591 53.050 -0.046 0.000 0.876 202 N CB 0.145 38.609 38.487 -0.039 0.000 0.979 202 N HN 0.266 nan 8.380 nan 0.000 0.432 203 L N 1.164 122.363 121.223 -0.040 0.000 2.071 203 L HA 0.025 4.365 4.340 -0.000 0.000 0.201 203 L C 1.009 177.867 176.870 -0.019 0.000 1.076 203 L CA 0.228 55.053 54.840 -0.025 0.000 0.755 203 L CB -0.445 41.601 42.059 -0.021 0.000 0.915 203 L HN 0.189 nan 8.230 nan 0.000 0.445 204 R N 1.166 121.651 120.500 -0.024 0.000 2.697 204 R HA -0.128 4.212 4.340 -0.000 0.000 0.265 204 R C 0.922 177.217 176.300 -0.009 0.000 1.009 204 R CA 0.340 56.432 56.100 -0.012 0.000 1.099 204 R CB 0.298 30.589 30.300 -0.015 0.000 0.965 204 R HN 0.208 nan 8.270 nan 0.000 0.428 205 E N 1.237 121.437 120.200 -0.000 0.000 2.208 205 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 205 E C 1.590 178.191 176.600 0.002 0.000 0.988 205 E CA 0.894 57.295 56.400 0.001 0.000 0.828 205 E CB 0.160 29.863 29.700 0.005 0.000 0.763 205 E HN 0.809 nan 8.360 nan 0.000 0.478 206 Q N 0.122 119.924 119.800 0.004 0.000 2.230 206 Q HA -0.021 4.319 4.340 -0.000 0.000 0.202 206 Q C 0.814 176.816 176.000 0.003 0.000 0.963 206 Q CA 0.791 56.598 55.803 0.007 0.000 0.866 206 Q CB -0.013 28.733 28.738 0.014 0.000 0.931 206 Q HN 0.346 nan 8.270 nan 0.000 0.452 207 G N 1.139 109.936 108.800 -0.006 0.000 2.692 207 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.248 207 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.248 207 G C -0.877 174.018 174.900 -0.008 0.000 1.340 207 G CA -0.141 44.951 45.100 -0.012 0.000 0.896 207 G HN 0.451 nan 8.290 nan 0.000 0.570 208 R N 1.464 121.960 120.500 -0.006 0.000 2.459 208 R HA 0.427 4.767 4.340 -0.000 0.000 0.301 208 R C 1.346 177.655 176.300 0.016 0.000 1.286 208 R CA 1.078 57.181 56.100 0.006 0.000 1.046 208 R CB -0.490 29.814 30.300 0.007 0.000 1.071 208 R HN 2.109 nan 8.270 nan 0.000 0.512 209 G N 2.398 111.212 108.800 0.024 0.000 2.512 209 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.254 209 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.254 209 G C 0.269 175.179 174.900 0.018 0.000 1.199 209 G CA -0.283 44.832 45.100 0.024 0.000 0.941 209 G HN 0.401 nan 8.290 nan 0.000 0.569 210 K N 0.929 121.338 120.400 0.016 0.000 2.401 210 K HA 0.143 4.463 4.320 -0.000 0.000 0.176 210 K C 0.945 177.550 176.600 0.010 0.000 1.109 210 K CA 0.399 56.693 56.287 0.013 0.000 1.146 210 K CB -0.937 31.570 32.500 0.012 0.000 1.600 210 K HN 0.767 nan 8.250 nan 0.000 0.474 211 D N 2.138 122.543 120.400 0.008 0.000 2.982 211 D HA -0.193 4.446 4.640 -0.000 0.000 0.222 211 D C -0.242 176.061 176.300 0.006 0.000 1.124 211 D CA 1.190 55.194 54.000 0.006 0.000 0.810 211 D CB 0.010 40.813 40.800 0.006 0.000 1.152 211 D HN 0.343 nan 8.370 nan 0.000 0.538 212 Q N 1.902 121.704 119.800 0.004 0.000 2.199 212 Q HA -0.094 4.245 4.340 -0.000 0.000 0.282 212 Q C -2.489 173.511 176.000 0.001 0.000 1.163 212 Q CA -0.392 55.412 55.803 0.002 0.000 0.581 212 Q CB -0.570 28.169 28.738 0.002 0.000 0.911 212 Q HN 0.451 nan 8.270 nan 0.000 0.335 213 P HA 0.147 nan 4.420 nan 0.000 0.272 213 P C 0.601 177.898 177.300 -0.006 0.000 1.254 213 P CA 0.539 63.638 63.100 -0.002 0.000 0.795 213 P CB 0.289 31.988 31.700 -0.001 0.000 1.022 214 G N 0.143 108.938 108.800 -0.009 0.000 2.504 214 G HA2 0.120 4.080 3.960 -0.000 0.000 0.257 214 G HA3 0.120 4.080 3.960 -0.000 0.000 0.257 214 G C 0.980 175.873 174.900 -0.011 0.000 1.451 214 G CA -0.319 44.772 45.100 -0.014 0.000 1.059 214 G HN 0.381 nan 8.290 nan 0.000 0.550 215 R N -1.347 119.145 120.500 -0.013 0.000 2.072 215 R HA 0.177 4.517 4.340 -0.000 0.000 0.214 215 R C 0.673 176.965 176.300 -0.012 0.000 1.168 215 R CA 0.000 56.093 56.100 -0.012 0.000 1.020 215 R CB -0.547 29.746 30.300 -0.012 0.000 0.914 215 R HN 0.270 nan 8.270 nan 0.000 0.449 216 L N 3.282 124.497 121.223 -0.012 0.000 2.410 216 L HA 0.139 4.479 4.340 -0.000 0.000 0.273 216 L C 0.176 177.040 176.870 -0.010 0.000 1.144 216 L CA -0.143 54.689 54.840 -0.014 0.000 0.863 216 L CB 0.249 42.302 42.059 -0.010 0.000 1.140 216 L HN -0.104 nan 8.230 nan 0.000 0.463 217 K N 3.931 124.322 120.400 -0.014 0.000 2.237 217 K HA 0.147 4.467 4.320 -0.000 0.000 0.270 217 K C 0.380 176.976 176.600 -0.006 0.000 1.015 217 K CA -0.527 55.754 56.287 -0.010 0.000 0.949 217 K CB 0.705 33.196 32.500 -0.015 0.000 0.976 217 K HN 0.442 nan 8.250 nan 0.000 0.472 218 K N -0.666 119.736 120.400 0.003 0.000 3.069 218 K HA -0.155 4.165 4.320 -0.000 0.000 0.267 218 K C -0.661 175.954 176.600 0.025 0.000 1.082 218 K CA 0.450 56.744 56.287 0.013 0.000 0.782 218 K CB -1.902 30.601 32.500 0.005 0.000 1.230 218 K HN 0.358 nan 8.250 nan 0.000 0.488 219 V N 1.424 121.352 119.914 0.023 0.000 2.409 219 V HA 0.269 4.388 4.120 -0.000 0.000 0.291 219 V C 0.380 176.492 176.094 0.030 0.000 1.020 219 V CA -0.607 61.714 62.300 0.036 0.000 0.848 219 V CB 1.825 33.669 31.823 0.036 0.000 0.990 219 V HN 0.278 nan 8.190 nan 0.000 0.430 220 Q N 3.838 123.660 119.800 0.037 0.000 2.345 220 Q HA 0.855 5.195 4.340 -0.000 0.000 0.268 220 Q C -0.403 175.612 176.000 0.026 0.000 1.054 220 Q CA -0.222 55.598 55.803 0.027 0.000 0.835 220 Q CB 2.697 31.452 28.738 0.029 0.000 1.339 220 Q HN 0.931 nan 8.270 nan 0.000 0.447 221 G N 1.662 110.472 108.800 0.016 0.000 2.313 221 G HA2 0.417 4.377 3.960 -0.000 0.000 0.296 221 G HA3 0.417 4.377 3.960 -0.000 0.000 0.296 221 G C -1.430 173.480 174.900 0.018 0.000 1.356 221 G CA -0.241 44.866 45.100 0.012 0.000 0.833 221 G HN 1.007 nan 8.290 nan 0.000 0.552 222 I N -2.966 117.630 120.570 0.043 0.000 3.458 222 I HA 0.948 5.118 4.170 -0.000 0.000 0.316 222 I C 0.236 176.471 176.117 0.197 0.000 1.202 222 I CA -1.250 60.127 61.300 0.129 0.000 0.929 222 I CB 1.742 39.877 38.000 0.225 0.000 1.340 222 I HN 1.029 nan 8.210 nan 0.000 0.481 223 G N 0.817 109.866 108.800 0.416 0.000 2.356 223 G HA2 0.492 4.451 3.960 -0.000 0.000 0.298 223 G HA3 0.492 4.451 3.960 -0.000 0.000 0.298 223 G C -1.683 173.492 174.900 0.458 0.000 1.145 223 G CA -0.436 44.894 45.100 0.384 0.000 0.850 223 G HN 0.756 nan 8.290 nan 0.000 0.487 224 W N 2.405 123.764 121.300 0.098 0.000 3.074 224 W HA 0.580 5.240 4.660 -0.000 0.000 0.332 224 W C -2.426 174.163 176.519 0.116 0.000 1.253 224 W CA -1.153 56.249 57.345 0.095 0.000 1.180 224 W CB 2.138 31.635 29.460 0.062 0.000 1.445 224 W HN 0.457 nan 8.180 nan 0.000 0.573 225 Y N 3.932 123.800 120.300 -0.720 0.000 2.332 225 Y HA 0.377 4.927 4.550 -0.000 0.000 0.325 225 Y C -0.804 174.732 175.900 -0.605 0.000 1.054 225 Y CA -0.825 56.978 58.100 -0.494 0.000 1.119 225 Y CB 1.260 39.504 38.460 -0.361 0.000 1.168 225 Y HN 0.202 nan 8.280 nan 0.000 0.439 226 L N 6.242 127.404 121.223 -0.102 0.000 2.433 226 L HA 0.085 4.425 4.340 -0.000 0.000 0.275 226 L C 0.975 177.943 176.870 0.163 0.000 1.128 226 L CA 0.033 54.875 54.840 0.003 0.000 0.875 226 L CB 0.801 42.867 42.059 0.010 0.000 1.171 226 L HN 0.786 nan 8.230 nan 0.000 0.463 227 E N 2.560 122.791 120.200 0.052 0.000 2.028 227 E HA -0.213 4.136 4.350 -0.000 0.000 0.191 227 E C 1.727 178.354 176.600 0.045 0.000 0.988 227 E CA 1.598 58.008 56.400 0.015 0.000 0.799 227 E CB 0.084 29.743 29.700 -0.069 0.000 0.755 227 E HN 0.789 nan 8.360 nan 0.000 0.447 228 E N 0.422 120.643 120.200 0.034 0.000 2.274 228 E HA -0.089 4.260 4.350 -0.000 0.000 0.194 228 E C 1.442 178.065 176.600 0.038 0.000 0.996 228 E CA 0.795 57.212 56.400 0.028 0.000 0.840 228 E CB 0.052 29.765 29.700 0.022 0.000 0.772 228 E HN -0.059 nan 8.360 nan 0.000 0.491 229 K N 0.226 120.655 120.400 0.049 0.000 2.354 229 K HA 0.090 4.410 4.320 -0.000 0.000 0.194 229 K C 0.244 176.868 176.600 0.041 0.000 1.038 229 K CA 0.191 56.497 56.287 0.032 0.000 1.052 229 K CB 0.200 32.707 32.500 0.011 0.000 0.861 229 K HN 0.064 nan 8.250 nan 0.000 0.535 230 N N 0.334 119.109 118.700 0.124 0.000 2.782 230 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 230 N C -1.121 174.381 175.510 -0.013 0.000 1.101 230 N CA 0.397 53.582 53.050 0.225 0.000 0.764 230 N CB -1.170 37.389 38.487 0.119 0.000 1.122 230 N HN 0.181 nan 8.380 nan 0.000 0.561 231 L N -0.251 120.817 121.223 -0.259 0.000 2.333 231 L HA 0.841 5.180 4.340 -0.000 0.000 0.280 231 L C 0.261 176.691 176.870 -0.734 0.000 1.004 231 L CA -0.476 54.121 54.840 -0.404 0.000 0.820 231 L CB 1.423 43.379 42.059 -0.173 0.000 1.247 231 L HN 0.131 nan 8.230 nan 0.000 0.416 232 A N 4.431 126.828 122.820 -0.705 0.000 2.272 232 A HA 0.717 5.036 4.320 -0.000 0.000 0.275 232 A C -0.628 176.823 177.584 -0.223 0.000 1.096 232 A CA -0.254 51.444 52.037 -0.565 0.000 0.822 232 A CB 0.512 19.301 19.000 -0.352 0.000 1.088 232 A HN 0.773 nan 8.150 nan 0.000 0.495 233 Q N -0.317 119.445 119.800 -0.064 0.000 2.284 233 Q HA 0.413 4.753 4.340 -0.000 0.000 0.269 233 Q C -1.681 174.372 176.000 0.090 0.000 1.026 233 Q CA -0.702 55.123 55.803 0.038 0.000 0.831 233 Q CB 2.480 31.306 28.738 0.147 0.000 1.322 233 Q HN 0.460 nan 8.270 nan 0.000 0.419 234 V N 2.146 122.071 119.914 0.018 0.000 2.313 234 V HA 0.147 4.267 4.120 -0.000 0.000 0.252 234 V C 0.117 176.208 176.094 -0.005 0.000 1.112 234 V CA -0.073 62.234 62.300 0.012 0.000 0.984 234 V CB 0.724 32.523 31.823 -0.039 0.000 1.157 234 V HN 0.653 nan 8.190 nan 0.000 0.493 235 S N 4.852 120.579 115.700 0.046 0.000 2.475 235 S HA 0.659 5.129 4.470 -0.000 0.000 0.281 235 S C 0.180 174.775 174.600 -0.007 0.000 1.198 235 S CA -0.241 57.960 58.200 0.001 0.000 1.063 235 S CB 0.621 63.796 63.200 -0.042 0.000 0.972 235 S HN 0.931 nan 8.310 nan 0.000 0.486 236 T N 2.241 116.802 114.554 0.012 0.000 2.901 236 T HA 0.572 4.922 4.350 -0.000 0.000 0.293 236 T C -1.226 173.527 174.700 0.088 0.000 1.084 236 T CA -1.110 61.021 62.100 0.051 0.000 1.008 236 T CB 1.324 70.241 68.868 0.081 0.000 1.170 236 T HN 0.502 nan 8.240 nan 0.000 0.509 237 N N 1.160 119.909 118.700 0.082 0.000 2.442 237 N HA 0.425 5.165 4.740 -0.000 0.000 0.274 237 N C -1.365 174.210 175.510 0.108 0.000 1.002 237 N CA -0.551 52.556 53.050 0.095 0.000 0.910 237 N CB 1.616 40.139 38.487 0.060 0.000 1.244 237 N HN 0.476 nan 8.380 nan 0.000 0.492 238 L N 2.762 124.066 121.223 0.135 0.000 2.369 238 L HA 0.219 4.559 4.340 -0.000 0.000 0.279 238 L C 1.674 178.626 176.870 0.137 0.000 1.108 238 L CA 0.239 55.154 54.840 0.126 0.000 0.852 238 L CB 0.547 42.680 42.059 0.123 0.000 1.169 238 L HN 0.484 nan 8.230 nan 0.000 0.452 239 L N 2.014 123.297 121.223 0.101 0.000 2.418 239 L HA 0.137 4.477 4.340 -0.000 0.000 0.218 239 L C 0.090 177.022 176.870 0.102 0.000 1.125 239 L CA 0.572 55.470 54.840 0.096 0.000 0.835 239 L CB 0.180 42.277 42.059 0.064 0.000 0.953 239 L HN 0.663 nan 8.230 nan 0.000 0.454 240 D N -1.050 119.402 120.400 0.086 0.000 2.312 240 D HA 0.022 4.661 4.640 -0.000 0.000 0.229 240 D C 0.490 176.764 176.300 -0.044 0.000 1.337 240 D CA -0.508 53.500 54.000 0.012 0.000 0.964 240 D CB 0.412 41.180 40.800 -0.054 0.000 1.456 240 D HN 0.083 nan 8.370 nan 0.000 0.547 241 F N 1.594 121.533 119.950 -0.018 0.000 2.664 241 F HA 0.129 4.656 4.527 -0.000 0.000 0.297 241 F C 1.377 177.132 175.800 -0.075 0.000 1.164 241 F CA 0.421 58.379 58.000 -0.069 0.000 1.472 241 F CB 0.009 38.949 39.000 -0.099 0.000 1.108 241 F HN 0.100 nan 8.300 nan 0.000 0.596 242 E N 1.154 121.041 120.200 -0.523 0.000 2.140 242 E HA -0.027 4.322 4.350 -0.000 0.000 0.191 242 E C 2.437 178.927 176.600 -0.182 0.000 0.973 242 E CA 1.116 57.296 56.400 -0.368 0.000 0.829 242 E CB -0.348 29.092 29.700 -0.434 0.000 0.781 242 E HN 0.495 nan 8.360 nan 0.000 0.466 243 V N 0.890 120.712 119.914 -0.152 0.000 2.256 243 V HA -0.037 4.082 4.120 -0.000 0.000 0.240 243 V C 1.263 177.304 176.094 -0.088 0.000 1.036 243 V CA 1.212 63.453 62.300 -0.097 0.000 1.008 243 V CB -0.388 31.391 31.823 -0.073 0.000 0.648 243 V HN 0.052 nan 8.190 nan 0.000 0.453 244 T N 1.283 115.789 114.554 -0.080 0.000 2.770 244 T HA 0.728 5.078 4.350 -0.000 0.000 0.283 244 T C -0.079 174.549 174.700 -0.119 0.000 0.988 244 T CA 0.029 62.072 62.100 -0.096 0.000 0.957 244 T CB 1.382 70.216 68.868 -0.055 0.000 0.930 244 T HN 0.555 nan 8.240 nan 0.000 0.443 245 A N 2.928 125.597 122.820 -0.251 0.000 2.272 245 A HA 0.562 4.882 4.320 -0.000 0.000 0.275 245 A C 1.543 178.923 177.584 -0.340 0.000 1.096 245 A CA -0.566 51.261 52.037 -0.350 0.000 0.822 245 A CB 0.173 18.736 19.000 -0.729 0.000 1.088 245 A HN 0.961 nan 8.150 nan 0.000 0.495 246 L N -0.428 120.632 121.223 -0.272 0.000 2.191 246 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 246 L C 2.305 179.103 176.870 -0.119 0.000 1.103 246 L CA 2.233 56.911 54.840 -0.270 0.000 0.769 246 L CB -0.467 41.389 42.059 -0.339 0.000 0.908 246 L HN 1.102 nan 8.230 nan 0.000 0.438 247 H N -3.498 115.562 119.070 -0.016 0.000 2.431 247 H HA -0.025 4.531 4.556 -0.000 0.000 0.295 247 H C 2.103 177.464 175.328 0.055 0.000 1.038 247 H CA 1.068 57.171 56.048 0.092 0.000 1.360 247 H CB -0.884 28.853 29.762 -0.041 0.000 1.433 247 H HN 0.153 nan 8.280 nan 0.000 0.536 248 T N -0.842 113.412 114.554 -0.500 0.000 2.962 248 T HA -0.093 4.256 4.350 -0.000 0.000 0.270 248 T C 1.979 176.652 174.700 -0.045 0.000 1.088 248 T CA 0.875 62.838 62.100 -0.230 0.000 1.127 248 T CB -0.751 67.921 68.868 -0.327 0.000 0.883 248 T HN 0.173 nan 8.240 nan 0.000 0.493 249 V N 0.770 120.692 119.914 0.013 0.000 2.216 249 V HA -0.130 3.990 4.120 -0.000 0.000 0.242 249 V C 2.109 178.325 176.094 0.203 0.000 1.042 249 V CA 1.819 64.199 62.300 0.133 0.000 0.991 249 V CB -0.896 31.076 31.823 0.249 0.000 0.633 249 V HN 0.468 nan 8.190 nan 0.000 0.449 250 Y N 1.203 121.656 120.300 0.255 0.000 2.002 250 Y HA -0.334 4.215 4.550 -0.000 0.000 0.268 250 Y C 2.659 178.657 175.900 0.162 0.000 1.177 250 Y CA 2.447 60.686 58.100 0.231 0.000 1.111 250 Y CB -0.361 38.317 38.460 0.362 0.000 0.952 250 Y HN 0.281 nan 8.280 nan 0.000 0.491 251 E N -0.001 120.392 120.200 0.321 0.000 2.267 251 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 251 E C 1.987 178.621 176.600 0.056 0.000 0.998 251 E CA 1.445 57.973 56.400 0.213 0.000 0.830 251 E CB -0.166 29.736 29.700 0.337 0.000 0.751 251 E HN 0.591 nan 8.360 nan 0.000 0.491 252 E N 0.397 120.613 120.200 0.027 0.000 2.042 252 E HA 0.052 4.402 4.350 -0.000 0.000 0.189 252 E C 1.909 178.480 176.600 -0.049 0.000 0.974 252 E CA 1.144 57.541 56.400 -0.006 0.000 0.806 252 E CB -0.290 29.410 29.700 -0.000 0.000 0.769 252 E HN 0.122 nan 8.360 nan 0.000 0.451 253 A N 1.474 124.246 122.820 -0.079 0.000 1.917 253 A HA -0.237 4.082 4.320 -0.000 0.000 0.219 253 A C 2.164 179.651 177.584 -0.163 0.000 1.182 253 A CA 1.660 53.626 52.037 -0.119 0.000 0.633 253 A CB -0.572 18.340 19.000 -0.146 0.000 0.819 253 A HN 0.101 nan 8.150 nan 0.000 0.448 254 R N -0.348 120.003 120.500 -0.249 0.000 2.112 254 R HA -0.189 4.151 4.340 -0.000 0.000 0.242 254 R C 2.332 178.575 176.300 -0.096 0.000 1.137 254 R CA 2.183 58.153 56.100 -0.218 0.000 0.944 254 R CB -0.586 29.575 30.300 -0.232 0.000 0.857 254 R HN 0.646 nan 8.270 nan 0.000 0.435 255 R N 0.032 120.499 120.500 -0.054 0.000 2.062 255 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 255 R C 2.227 178.509 176.300 -0.030 0.000 1.136 255 R CA 1.135 57.221 56.100 -0.024 0.000 0.948 255 R CB -0.363 29.935 30.300 -0.004 0.000 0.845 255 R HN 0.101 nan 8.270 nan 0.000 0.430 256 E N 0.704 120.881 120.200 -0.038 0.000 2.136 256 E HA -0.270 4.080 4.350 -0.000 0.000 0.208 256 E C 1.739 178.317 176.600 -0.037 0.000 1.035 256 E CA 2.159 58.536 56.400 -0.037 0.000 0.838 256 E CB -0.211 29.461 29.700 -0.047 0.000 0.748 256 E HN 0.415 nan 8.360 nan 0.000 0.459 257 A N -0.274 122.516 122.820 -0.051 0.000 1.935 257 A HA -0.092 4.228 4.320 -0.000 0.000 0.214 257 A C 1.959 179.524 177.584 -0.033 0.000 1.178 257 A CA 1.135 53.144 52.037 -0.046 0.000 0.640 257 A CB -0.319 18.641 19.000 -0.066 0.000 0.825 257 A HN 0.282 nan 8.150 nan 0.000 0.447 258 Q N -0.360 119.421 119.800 -0.031 0.000 2.500 258 Q HA -0.108 4.232 4.340 -0.000 0.000 0.213 258 Q C 1.343 177.337 176.000 -0.011 0.000 0.974 258 Q CA 1.045 56.838 55.803 -0.018 0.000 0.918 258 Q CB -0.038 28.693 28.738 -0.012 0.000 0.980 258 Q HN 0.745 nan 8.270 nan 0.000 0.505 259 E N -0.006 120.186 120.200 -0.013 0.000 2.299 259 E HA -0.010 4.340 4.350 -0.000 0.000 0.193 259 E C 0.855 177.451 176.600 -0.007 0.000 0.998 259 E CA 0.520 56.915 56.400 -0.008 0.000 0.851 259 E CB 0.428 30.122 29.700 -0.009 0.000 0.795 259 E HN 0.286 nan 8.360 nan 0.000 0.492 260 L N -0.244 120.973 121.223 -0.010 0.000 2.959 260 L HA 0.291 4.630 4.340 -0.000 0.000 0.259 260 L C -0.321 176.544 176.870 -0.008 0.000 1.185 260 L CA -0.249 54.586 54.840 -0.007 0.000 0.998 260 L CB -0.196 41.859 42.059 -0.007 0.000 1.337 260 L HN 0.031 nan 8.230 nan 0.000 0.555 261 N N 1.541 120.236 118.700 -0.009 0.000 2.738 261 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 261 N C -0.866 174.637 175.510 -0.011 0.000 1.047 261 N CA 0.095 53.140 53.050 -0.008 0.000 0.707 261 N CB -1.012 37.472 38.487 -0.004 0.000 0.937 261 N HN 0.305 nan 8.380 nan 0.000 0.545 262 L N -0.026 121.187 121.223 -0.017 0.000 2.362 262 L HA 0.651 4.991 4.340 -0.000 0.000 0.275 262 L C -2.159 174.695 176.870 -0.027 0.000 0.998 262 L CA -1.927 52.901 54.840 -0.021 0.000 0.820 262 L CB 1.597 43.642 42.059 -0.024 0.000 1.270 262 L HN -0.164 nan 8.230 nan 0.000 0.415 263 P HA 0.172 nan 4.420 nan 0.000 0.279 263 P C -0.670 176.608 177.300 -0.037 0.000 1.239 263 P CA -0.288 62.797 63.100 -0.025 0.000 0.789 263 P CB 1.693 33.384 31.700 -0.016 0.000 0.933 264 V N 4.185 124.073 119.914 -0.043 0.000 2.407 264 V HA 0.168 4.288 4.120 -0.000 0.000 0.278 264 V C 0.855 176.951 176.094 0.003 0.000 1.037 264 V CA -0.394 61.874 62.300 -0.053 0.000 0.900 264 V CB 1.581 33.323 31.823 -0.135 0.000 0.983 264 V HN 0.476 nan 8.190 nan 0.000 0.459 265 V N 3.252 123.176 119.914 0.017 0.000 2.435 265 V HA 0.871 4.990 4.120 -0.000 0.000 0.263 265 V C 0.572 176.707 176.094 0.068 0.000 1.087 265 V CA 0.325 62.648 62.300 0.038 0.000 1.253 265 V CB -0.472 31.355 31.823 0.007 0.000 1.462 265 V HN 1.365 nan 8.190 nan 0.000 0.547 266 G N 2.412 111.307 108.800 0.159 0.000 2.525 266 G HA2 0.116 4.075 3.960 -0.000 0.000 0.248 266 G HA3 0.116 4.075 3.960 -0.000 0.000 0.248 266 G C -0.029 174.966 174.900 0.159 0.000 1.238 266 G CA 0.468 45.666 45.100 0.164 0.000 0.926 266 G HN 2.430 nan 8.290 nan 0.000 0.574 267 S N -1.456 114.275 115.700 0.051 0.000 2.655 267 S HA 0.698 5.168 4.470 -0.000 0.000 0.266 267 S C -1.082 173.540 174.600 0.036 0.000 1.149 267 S CA 0.479 58.667 58.200 -0.020 0.000 0.818 267 S CB 1.795 64.958 63.200 -0.062 0.000 1.130 267 S HN 2.225 nan 8.310 nan 0.000 0.476 268 Q N 0.508 120.344 119.800 0.060 0.000 2.340 268 Q HA 0.666 5.006 4.340 -0.000 0.000 0.276 268 Q C -1.910 174.272 176.000 0.303 0.000 1.048 268 Q CA -1.005 54.895 55.803 0.161 0.000 0.832 268 Q CB 1.556 30.364 28.738 0.116 0.000 1.373 268 Q HN 0.716 nan 8.270 nan 0.000 0.409 269 L N 2.150 123.558 121.223 0.307 0.000 2.312 269 L HA 0.555 4.895 4.340 -0.000 0.000 0.281 269 L C -0.663 176.338 176.870 0.217 0.000 1.070 269 L CA -0.995 54.020 54.840 0.292 0.000 0.805 269 L CB 1.782 43.970 42.059 0.214 0.000 1.174 269 L HN 0.498 nan 8.230 nan 0.000 0.434 270 V N 3.284 123.302 119.914 0.174 0.000 2.357 270 V HA 0.775 4.894 4.120 -0.000 0.000 0.284 270 V C 0.628 176.776 176.094 0.091 0.000 1.018 270 V CA 0.363 62.731 62.300 0.115 0.000 0.841 270 V CB 0.592 32.467 31.823 0.086 0.000 0.991 270 V HN 1.065 nan 8.190 nan 0.000 0.437 271 G N 5.076 113.918 108.800 0.069 0.000 2.484 271 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.225 271 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.225 271 G C -0.772 174.170 174.900 0.070 0.000 1.250 271 G CA -0.291 44.839 45.100 0.051 0.000 0.926 271 G HN 0.693 nan 8.290 nan 0.000 0.581 272 L N -0.117 121.162 121.223 0.094 0.000 2.334 272 L HA 0.791 5.130 4.340 -0.000 0.000 0.275 272 L C 0.446 177.439 176.870 0.205 0.000 1.036 272 L CA -1.060 53.852 54.840 0.120 0.000 0.807 272 L CB 1.704 43.837 42.059 0.123 0.000 1.231 272 L HN 0.774 nan 8.230 nan 0.000 0.438 273 V N 3.150 123.102 119.914 0.063 0.000 2.735 273 V HA 0.646 4.766 4.120 -0.000 0.000 0.310 273 V C -2.479 173.418 176.094 -0.329 0.000 1.061 273 V CA -2.150 60.075 62.300 -0.125 0.000 0.913 273 V CB 2.674 34.442 31.823 -0.091 0.000 1.005 273 V HN 0.528 nan 8.190 nan 0.000 0.428 274 P HA 0.249 nan 4.420 nan 0.000 0.279 274 P C 0.509 177.544 177.300 -0.441 0.000 1.239 274 P CA -0.350 62.371 63.100 -0.632 0.000 0.789 274 P CB 1.196 32.306 31.700 -0.983 0.000 0.933 275 L N 3.974 125.062 121.223 -0.226 0.000 1.990 275 L HA -0.216 4.124 4.340 -0.000 0.000 0.213 275 L C 2.195 178.983 176.870 -0.135 0.000 1.072 275 L CA 2.073 56.839 54.840 -0.124 0.000 0.755 275 L CB -0.968 41.110 42.059 0.033 0.000 0.889 275 L HN 0.340 nan 8.230 nan 0.000 0.432 276 K N -0.776 119.555 120.400 -0.114 0.000 2.034 276 K HA -0.283 4.036 4.320 -0.000 0.000 0.214 276 K C 2.017 178.570 176.600 -0.079 0.000 1.051 276 K CA 1.802 58.083 56.287 -0.011 0.000 0.931 276 K CB -0.493 32.114 32.500 0.179 0.000 0.715 276 K HN 0.514 nan 8.250 nan 0.000 0.446 277 A N 1.423 123.966 122.820 -0.461 0.000 1.909 277 A HA -0.241 4.079 4.320 -0.000 0.000 0.221 277 A C 2.020 179.490 177.584 -0.190 0.000 1.223 277 A CA 2.578 54.311 52.037 -0.506 0.000 0.658 277 A CB -0.835 17.578 19.000 -0.978 0.000 0.831 277 A HN 0.490 nan 8.150 nan 0.000 0.462 278 L N -3.356 117.746 121.223 -0.202 0.000 2.607 278 L HA 0.412 4.752 4.340 -0.000 0.000 0.228 278 L C 1.713 178.565 176.870 -0.030 0.000 1.123 278 L CA 0.803 55.574 54.840 -0.116 0.000 0.890 278 L CB -0.161 41.796 42.059 -0.170 0.000 1.103 278 L HN 0.248 nan 8.230 nan 0.000 0.468 279 L N -0.497 120.718 121.223 -0.014 0.000 2.307 279 L HA 0.055 4.395 4.340 -0.000 0.000 0.211 279 L C 1.674 178.585 176.870 0.070 0.000 1.099 279 L CA 0.573 55.434 54.840 0.034 0.000 0.816 279 L CB -0.057 42.026 42.059 0.039 0.000 0.952 279 L HN 0.311 nan 8.230 nan 0.000 0.455 280 D N 0.206 120.661 120.400 0.092 0.000 2.120 280 D HA -0.111 4.528 4.640 -0.000 0.000 0.202 280 D C 2.181 178.560 176.300 0.133 0.000 0.972 280 D CA 1.239 55.314 54.000 0.124 0.000 0.837 280 D CB -0.111 40.788 40.800 0.164 0.000 0.989 280 D HN 0.281 nan 8.370 nan 0.000 0.469 281 A N 1.944 124.879 122.820 0.192 0.000 1.894 281 A HA -0.275 4.045 4.320 -0.000 0.000 0.220 281 A C 2.390 180.069 177.584 0.158 0.000 1.237 281 A CA 3.341 55.515 52.037 0.228 0.000 0.660 281 A CB -1.194 17.960 19.000 0.256 0.000 0.835 281 A HN 0.272 nan 8.150 nan 0.000 0.461 282 A N -0.446 122.471 122.820 0.162 0.000 1.859 282 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 282 A C 2.609 180.263 177.584 0.118 0.000 1.209 282 A CA 3.309 55.440 52.037 0.157 0.000 0.639 282 A CB -1.436 17.618 19.000 0.090 0.000 0.835 282 A HN 1.518 nan 8.150 nan 0.000 0.450 283 A N -1.707 121.161 122.820 0.080 0.000 1.986 283 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 283 A C 2.020 179.615 177.584 0.017 0.000 1.171 283 A CA 1.898 53.968 52.037 0.054 0.000 0.640 283 A CB -0.748 18.289 19.000 0.062 0.000 0.811 283 A HN 0.832 nan 8.150 nan 0.000 0.451 284 F N -0.393 119.422 119.950 -0.225 0.000 2.102 284 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 284 F C 1.950 177.530 175.800 -0.366 0.000 1.105 284 F CA 1.588 59.328 58.000 -0.433 0.000 1.239 284 F CB -0.680 37.704 39.000 -1.027 0.000 0.991 284 F HN 0.325 nan 8.300 nan 0.000 0.474 285 Y N -0.600 119.506 120.300 -0.323 0.000 2.574 285 Y HA -0.138 4.411 4.550 -0.000 0.000 0.294 285 Y C 2.434 178.182 175.900 -0.253 0.000 1.142 285 Y CA 0.811 58.686 58.100 -0.375 0.000 1.314 285 Y CB -0.661 37.705 38.460 -0.157 0.000 0.991 285 Y HN 0.182 nan 8.280 nan 0.000 0.555 286 C N -1.554 117.709 119.300 -0.062 0.000 2.524 286 C HA -0.075 4.385 4.460 -0.000 0.000 0.284 286 C C 2.471 177.422 174.990 -0.065 0.000 1.346 286 C CA -0.172 58.832 59.018 -0.024 0.000 1.739 286 C CB -0.616 27.140 27.740 0.027 0.000 2.119 286 C HN 0.506 nan 8.230 nan 0.000 0.501 287 D N 2.147 122.485 120.400 -0.104 0.000 2.127 287 D HA -0.243 4.397 4.640 -0.000 0.000 0.190 287 D C 2.070 178.280 176.300 -0.149 0.000 1.000 287 D CA 2.331 56.271 54.000 -0.100 0.000 0.839 287 D CB -0.082 40.665 40.800 -0.089 0.000 0.955 287 D HN 0.668 nan 8.370 nan 0.000 0.446 288 K N 0.461 120.675 120.400 -0.310 0.000 2.186 288 K HA -0.002 4.318 4.320 -0.000 0.000 0.202 288 K C 1.923 178.422 176.600 -0.168 0.000 1.052 288 K CA 0.914 57.029 56.287 -0.288 0.000 0.965 288 K CB -0.147 32.044 32.500 -0.515 0.000 0.746 288 K HN -0.041 nan 8.250 nan 0.000 0.457 289 E N 1.078 121.193 120.200 -0.142 0.000 2.502 289 E HA 0.042 4.392 4.350 -0.000 0.000 0.194 289 E C -0.793 175.792 176.600 -0.024 0.000 1.062 289 E CA -0.029 56.340 56.400 -0.052 0.000 0.867 289 E CB 0.036 29.728 29.700 -0.014 0.000 0.888 289 E HN 0.207 nan 8.360 nan 0.000 0.510 290 K N 0.078 120.460 120.400 -0.031 0.000 3.653 290 K HA -0.207 4.112 4.320 -0.000 0.000 0.275 290 K C -0.973 175.648 176.600 0.035 0.000 0.962 290 K CA 0.254 56.540 56.287 -0.001 0.000 0.773 290 K CB -1.540 30.961 32.500 0.002 0.000 1.463 290 K HN 0.096 nan 8.250 nan 0.000 0.450 291 L N -2.396 118.859 121.223 0.052 0.000 2.211 291 L HA 0.859 5.198 4.340 -0.000 0.000 0.259 291 L C -0.406 176.581 176.870 0.196 0.000 1.031 291 L CA -0.976 53.928 54.840 0.107 0.000 0.877 291 L CB 0.417 42.521 42.059 0.075 0.000 1.457 291 L HN -0.014 nan 8.230 nan 0.000 0.466 292 F N 1.056 121.019 119.950 0.022 0.000 2.828 292 F HA 0.732 5.258 4.527 -0.000 0.000 0.355 292 F C -1.517 174.285 175.800 0.003 0.000 1.200 292 F CA -1.140 56.860 58.000 0.001 0.000 1.062 292 F CB 1.419 40.420 39.000 0.001 0.000 1.351 292 F HN 0.179 nan 8.300 nan 0.000 0.504 293 V N 8.129 127.944 119.914 -0.166 0.000 2.325 293 V HA 0.275 4.395 4.120 -0.000 0.000 0.280 293 V C 0.681 176.604 176.094 -0.285 0.000 1.016 293 V CA -0.450 61.713 62.300 -0.229 0.000 0.818 293 V CB 1.096 32.888 31.823 -0.051 0.000 1.019 293 V HN 0.944 nan 8.190 nan 0.000 0.434 294 L N 1.519 122.441 121.223 -0.501 0.000 2.062 294 L HA 0.258 4.598 4.340 -0.000 0.000 0.202 294 L C 1.342 178.059 176.870 -0.255 0.000 1.079 294 L CA 1.071 55.624 54.840 -0.477 0.000 0.755 294 L CB 0.394 42.021 42.059 -0.719 0.000 0.913 294 L HN 0.726 nan 8.230 nan 0.000 0.445 295 E N 0.544 120.594 120.200 -0.250 0.000 2.360 295 E HA -0.112 4.237 4.350 -0.000 0.000 0.269 295 E C 0.780 177.344 176.600 -0.060 0.000 1.022 295 E CA 0.395 56.702 56.400 -0.156 0.000 0.887 295 E CB 1.187 30.690 29.700 -0.329 0.000 0.990 295 E HN 0.230 nan 8.360 nan 0.000 0.426 296 E N 3.958 124.166 120.200 0.012 0.000 2.038 296 E HA -0.337 4.012 4.350 -0.000 0.000 0.195 296 E C 1.499 178.149 176.600 0.084 0.000 1.000 296 E CA 1.703 58.138 56.400 0.059 0.000 0.803 296 E CB -0.065 29.684 29.700 0.082 0.000 0.750 296 E HN 0.776 nan 8.360 nan 0.000 0.448 297 E N 0.085 120.328 120.200 0.073 0.000 2.108 297 E HA -0.339 4.011 4.350 -0.000 0.000 0.203 297 E C 1.966 178.672 176.600 0.177 0.000 1.022 297 E CA 2.001 58.475 56.400 0.123 0.000 0.823 297 E CB -0.537 29.215 29.700 0.087 0.000 0.744 297 E HN 0.608 nan 8.360 nan 0.000 0.456 298 H N -0.166 118.913 119.070 0.014 0.000 2.387 298 H HA -0.029 4.527 4.556 -0.000 0.000 0.299 298 H C 2.463 177.782 175.328 -0.015 0.000 1.090 298 H CA 1.073 57.113 56.048 -0.013 0.000 1.332 298 H CB 0.089 29.823 29.762 -0.047 0.000 1.386 298 H HN 0.196 nan 8.280 nan 0.000 0.516 299 R N 0.102 120.678 120.500 0.127 0.000 2.120 299 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 299 R C 2.033 178.365 176.300 0.053 0.000 1.123 299 R CA 1.099 57.242 56.100 0.071 0.000 0.975 299 R CB -0.148 30.190 30.300 0.064 0.000 0.866 299 R HN 0.216 nan 8.270 nan 0.000 0.446 300 I N 0.674 121.283 120.570 0.065 0.000 2.252 300 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 300 I C 2.634 178.758 176.117 0.012 0.000 1.102 300 I CA 1.217 62.538 61.300 0.036 0.000 1.385 300 I CB -0.343 37.692 38.000 0.058 0.000 1.064 300 I HN 0.052 nan 8.210 nan 0.000 0.414 301 R N 0.501 121.023 120.500 0.036 0.000 2.091 301 R HA -0.225 4.114 4.340 -0.000 0.000 0.238 301 R C 2.301 178.566 176.300 -0.060 0.000 1.136 301 R CA 1.713 57.811 56.100 -0.003 0.000 0.959 301 R CB -0.470 29.825 30.300 -0.008 0.000 0.856 301 R HN 0.281 nan 8.270 nan 0.000 0.437 302 L N 0.321 121.510 121.223 -0.058 0.000 1.943 302 L HA -0.156 4.184 4.340 -0.000 0.000 0.215 302 L C 2.231 179.016 176.870 -0.141 0.000 1.074 302 L CA 1.942 56.727 54.840 -0.092 0.000 0.759 302 L CB -0.756 41.274 42.059 -0.048 0.000 0.888 302 L HN 0.122 nan 8.230 nan 0.000 0.433 303 V N -0.815 119.046 119.914 -0.088 0.000 2.982 303 V HA -0.176 3.943 4.120 -0.000 0.000 0.265 303 V C 2.099 178.071 176.094 -0.203 0.000 1.122 303 V CA 1.449 63.690 62.300 -0.099 0.000 1.143 303 V CB -0.164 31.666 31.823 0.012 0.000 0.726 303 V HN 0.365 nan 8.190 nan 0.000 0.507 304 V N 0.747 120.535 119.914 -0.209 0.000 2.251 304 V HA -0.216 3.903 4.120 -0.000 0.000 0.233 304 V C 2.464 178.413 176.094 -0.241 0.000 1.041 304 V CA 2.303 64.443 62.300 -0.267 0.000 1.000 304 V CB -0.917 30.798 31.823 -0.179 0.000 0.643 304 V HN 0.742 nan 8.190 nan 0.000 0.460 305 N N 0.316 118.906 118.700 -0.184 0.000 2.144 305 N HA -0.290 4.449 4.740 -0.000 0.000 0.195 305 N C 1.923 177.292 175.510 -0.235 0.000 1.006 305 N CA 1.848 54.795 53.050 -0.171 0.000 0.880 305 N CB -0.163 38.245 38.487 -0.133 0.000 1.018 305 N HN 0.320 nan 8.380 nan 0.000 0.443 306 R N 0.341 120.632 120.500 -0.348 0.000 2.096 306 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 306 R C 1.873 177.873 176.300 -0.501 0.000 1.127 306 R CA 0.785 56.570 56.100 -0.525 0.000 0.968 306 R CB -0.455 29.167 30.300 -1.130 0.000 0.861 306 R HN 0.422 nan 8.270 nan 0.000 0.440 307 L N -0.279 120.642 121.223 -0.503 0.000 2.667 307 L HA 0.317 4.656 4.340 -0.000 0.000 0.232 307 L C 0.733 177.342 176.870 -0.436 0.000 1.138 307 L CA -0.006 54.387 54.840 -0.744 0.000 0.921 307 L CB -0.049 41.710 42.059 -0.501 0.000 1.180 307 L HN 0.119 nan 8.230 nan 0.000 0.487 308 G N 1.416 110.062 108.800 -0.256 0.000 2.306 308 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.274 308 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.274 308 G C 0.714 175.552 174.900 -0.104 0.000 0.890 308 G CA 0.316 45.340 45.100 -0.127 0.000 1.298 308 G HN 0.412 nan 8.290 nan 0.000 0.445 309 L N -0.162 120.969 121.223 -0.154 0.000 2.341 309 L HA 0.119 4.458 4.340 -0.000 0.000 0.214 309 L C 0.840 177.697 176.870 -0.022 0.000 1.115 309 L CA 0.856 55.606 54.840 -0.150 0.000 0.820 309 L CB 0.036 41.815 42.059 -0.466 0.000 0.944 309 L HN 0.539 nan 8.230 nan 0.000 0.452 310 D N -1.454 118.945 120.400 -0.001 0.000 2.485 310 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 310 D C 0.592 176.910 176.300 0.030 0.000 1.112 310 D CA -0.117 53.918 54.000 0.059 0.000 0.911 310 D CB 1.026 41.869 40.800 0.072 0.000 1.019 310 D HN 0.047 nan 8.370 nan 0.000 0.516 311 S N 0.715 116.437 115.700 0.036 0.000 2.658 311 S HA 0.098 4.568 4.470 -0.000 0.000 0.277 311 S C 1.174 175.792 174.600 0.030 0.000 1.078 311 S CA -0.405 57.810 58.200 0.025 0.000 1.124 311 S CB 0.007 63.219 63.200 0.019 0.000 1.016 311 S HN 0.307 nan 8.310 nan 0.000 0.543 312 L N 1.275 122.525 121.223 0.044 0.000 2.609 312 L HA 0.715 5.055 4.340 -0.000 0.000 0.230 312 L C 0.654 177.553 176.870 0.049 0.000 1.087 312 L CA 0.517 55.384 54.840 0.045 0.000 0.874 312 L CB 0.898 42.989 42.059 0.053 0.000 1.114 312 L HN 0.548 nan 8.230 nan 0.000 0.488 313 A N -0.251 122.604 122.820 0.058 0.000 2.522 313 A HA 0.556 4.876 4.320 -0.000 0.000 0.294 313 A C -2.860 174.769 177.584 0.075 0.000 1.001 313 A CA -0.725 51.346 52.037 0.056 0.000 0.642 313 A CB 0.290 19.323 19.000 0.056 0.000 1.326 313 A HN -0.184 nan 8.150 nan 0.000 0.435 314 P HA 0.504 nan 4.420 nan 0.000 0.276 314 P C -0.958 176.418 177.300 0.127 0.000 1.244 314 P CA -0.141 63.011 63.100 0.086 0.000 0.801 314 P CB 0.521 32.252 31.700 0.050 0.000 1.006 315 F N 1.631 121.574 119.950 -0.011 0.000 2.293 315 F HA 0.239 4.766 4.527 -0.000 0.000 0.370 315 F C -0.073 175.710 175.800 -0.028 0.000 1.090 315 F CA -0.746 57.242 58.000 -0.020 0.000 1.133 315 F CB 0.276 39.260 39.000 -0.027 0.000 1.360 315 F HN 0.086 nan 8.300 nan 0.000 0.489 316 D N 8.626 128.798 120.400 -0.379 0.000 2.393 316 D HA 0.204 4.844 4.640 -0.000 0.000 0.232 316 D C -1.755 174.252 176.300 -0.488 0.000 1.192 316 D CA -2.412 51.411 54.000 -0.294 0.000 0.882 316 D CB 1.489 42.179 40.800 -0.183 0.000 1.038 316 D HN 0.259 nan 8.370 nan 0.000 0.499 317 P HA -0.078 nan 4.420 nan 0.000 0.225 317 P C 1.105 178.212 177.300 -0.321 0.000 1.156 317 P CA 0.535 63.386 63.100 -0.414 0.000 0.787 317 P CB 0.326 31.954 31.700 -0.121 0.000 0.802 318 K N -0.031 120.294 120.400 -0.124 0.000 2.574 318 K HA -0.109 4.211 4.320 -0.000 0.000 0.193 318 K C 1.599 178.184 176.600 -0.024 0.000 1.035 318 K CA 0.846 57.152 56.287 0.032 0.000 0.982 318 K CB 0.028 32.561 32.500 0.055 0.000 0.795 318 K HN 0.063 nan 8.250 nan 0.000 0.491 319 E N -1.149 118.966 120.200 -0.140 0.000 2.703 319 E HA 0.047 4.397 4.350 -0.000 0.000 0.214 319 E C 0.746 177.239 176.600 -0.179 0.000 0.944 319 E CA -0.063 56.265 56.400 -0.120 0.000 1.299 319 E CB 0.570 30.204 29.700 -0.111 0.000 1.189 319 E HN 0.059 nan 8.360 nan 0.000 0.597 320 R N -0.047 120.267 120.500 -0.309 0.000 2.250 320 R HA 0.335 4.675 4.340 -0.000 0.000 0.194 320 R C 0.949 177.129 176.300 -0.199 0.000 0.927 320 R CA 0.122 56.024 56.100 -0.329 0.000 1.052 320 R CB 0.525 30.377 30.300 -0.747 0.000 1.055 320 R HN 0.097 nan 8.270 nan 0.000 0.537 321 I N 1.693 122.125 120.570 -0.230 0.000 2.395 321 I HA 0.107 4.276 4.170 -0.000 0.000 0.289 321 I C 1.795 177.884 176.117 -0.046 0.000 1.023 321 I CA -0.253 60.939 61.300 -0.180 0.000 1.350 321 I CB 1.271 39.025 38.000 -0.409 0.000 1.409 321 I HN -0.144 nan 8.210 nan 0.000 0.507 322 I N 3.672 124.236 120.570 -0.010 0.000 2.113 322 I HA -0.233 3.937 4.170 -0.000 0.000 0.238 322 I C 1.932 178.108 176.117 0.098 0.000 1.070 322 I CA 1.600 62.930 61.300 0.050 0.000 1.332 322 I CB -0.205 37.834 38.000 0.066 0.000 1.044 322 I HN 0.671 nan 8.210 nan 0.000 0.402 323 E N 0.050 120.322 120.200 0.120 0.000 2.393 323 E HA -0.225 4.125 4.350 -0.000 0.000 0.201 323 E C 1.589 178.334 176.600 0.241 0.000 1.025 323 E CA 1.247 57.747 56.400 0.166 0.000 0.856 323 E CB -0.165 29.635 29.700 0.167 0.000 0.771 323 E HN 0.528 nan 8.360 nan 0.000 0.526 324 Y N -1.236 119.054 120.300 -0.016 0.000 2.441 324 Y HA 0.181 4.731 4.550 -0.000 0.000 0.288 324 Y C 1.779 177.670 175.900 -0.015 0.000 1.118 324 Y CA -0.187 57.903 58.100 -0.017 0.000 1.215 324 Y CB -0.352 38.093 38.460 -0.025 0.000 1.118 324 Y HN -0.010 nan 8.280 nan 0.000 0.547 325 L N -0.509 120.809 121.223 0.159 0.000 2.017 325 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 325 L C 0.839 177.748 176.870 0.065 0.000 1.073 325 L CA 1.339 56.228 54.840 0.083 0.000 0.745 325 L CB -0.015 42.078 42.059 0.057 0.000 0.894 325 L HN 0.090 nan 8.230 nan 0.000 0.432 326 V N -0.775 119.180 119.914 0.068 0.000 2.266 326 V HA 0.459 4.578 4.120 -0.000 0.000 0.266 326 V C -2.422 173.696 176.094 0.041 0.000 1.036 326 V CA -1.974 60.357 62.300 0.052 0.000 0.828 326 V CB 0.476 32.335 31.823 0.059 0.000 1.081 326 V HN -0.028 nan 8.190 nan 0.000 0.449 327 P HA 0.145 nan 4.420 nan 0.000 0.271 327 P C -0.417 176.884 177.300 0.001 0.000 1.238 327 P CA 0.213 63.307 63.100 -0.010 0.000 0.794 327 P CB 0.373 32.049 31.700 -0.038 0.000 0.959 328 D N -0.479 119.917 120.400 -0.007 0.000 2.781 328 D HA 0.041 4.681 4.640 -0.000 0.000 0.254 328 D C 0.401 176.700 176.300 -0.001 0.000 1.213 328 D CA -0.288 53.715 54.000 0.004 0.000 0.994 328 D CB 0.121 40.927 40.800 0.010 0.000 1.019 328 D HN 0.254 nan 8.370 nan 0.000 0.514 329 S N 1.016 116.716 115.700 0.001 0.000 2.326 329 S HA 0.321 4.791 4.470 -0.000 0.000 0.211 329 S C 1.432 176.036 174.600 0.008 0.000 1.031 329 S CA 0.657 58.857 58.200 -0.000 0.000 0.985 329 S CB -0.639 62.561 63.200 0.000 0.000 0.961 329 S HN 0.863 nan 8.310 nan 0.000 0.436 330 G N 1.713 110.521 108.800 0.014 0.000 2.384 330 G HA2 0.174 4.134 3.960 -0.000 0.000 0.204 330 G HA3 0.174 4.134 3.960 -0.000 0.000 0.204 330 G C -3.098 171.813 174.900 0.019 0.000 1.237 330 G CA -0.506 44.605 45.100 0.018 0.000 1.060 330 G HN 0.690 nan 8.290 nan 0.000 0.514 331 P HA 0.585 nan 4.420 nan 0.000 0.296 331 P C -0.453 176.861 177.300 0.023 0.000 1.306 331 P CA -0.004 63.109 63.100 0.021 0.000 0.818 331 P CB 1.287 33.000 31.700 0.022 0.000 0.969 332 E N 0.357 120.569 120.200 0.021 0.000 8.367 332 E HA -0.181 4.169 4.350 -0.000 0.000 0.467 332 E C -0.473 176.139 176.600 0.020 0.000 0.968 332 E CA 0.457 56.870 56.400 0.022 0.000 1.684 332 E CB -0.731 28.987 29.700 0.029 0.000 0.997 332 E HN 0.598 nan 8.360 nan 0.000 0.275 333 Q N 0.263 120.074 119.800 0.019 0.000 2.382 333 Q HA 0.408 4.747 4.340 -0.000 0.000 0.229 333 Q C 0.404 176.415 176.000 0.018 0.000 1.006 333 Q CA -0.189 55.623 55.803 0.014 0.000 0.916 333 Q CB 0.925 29.670 28.738 0.012 0.000 1.235 333 Q HN 0.457 nan 8.270 nan 0.000 0.512 334 S N -0.115 115.590 115.700 0.008 0.000 2.601 334 S HA 0.147 4.617 4.470 -0.000 0.000 0.271 334 S C 0.889 175.497 174.600 0.014 0.000 1.305 334 S CA -0.501 57.703 58.200 0.007 0.000 1.022 334 S CB 0.383 63.573 63.200 -0.016 0.000 0.940 334 S HN 0.545 nan 8.310 nan 0.000 0.525 335 L N 4.272 125.514 121.223 0.031 0.000 2.201 335 L HA 0.015 4.355 4.340 -0.000 0.000 0.212 335 L C 2.223 179.077 176.870 -0.027 0.000 1.105 335 L CA 0.920 55.796 54.840 0.060 0.000 0.775 335 L CB -0.549 41.617 42.059 0.178 0.000 0.913 335 L HN 0.674 nan 8.230 nan 0.000 0.440 336 L N -0.153 121.019 121.223 -0.085 0.000 2.357 336 L HA -0.266 4.074 4.340 -0.000 0.000 0.220 336 L C 1.364 178.181 176.870 -0.088 0.000 1.123 336 L CA 1.066 55.827 54.840 -0.132 0.000 0.782 336 L CB -0.424 41.570 42.059 -0.108 0.000 0.910 336 L HN 0.429 nan 8.230 nan 0.000 0.442 337 D N -0.859 119.513 120.400 -0.046 0.000 2.398 337 D HA 0.201 4.841 4.640 -0.000 0.000 0.210 337 D C 0.633 176.927 176.300 -0.010 0.000 1.094 337 D CA 0.254 54.237 54.000 -0.030 0.000 0.839 337 D CB 0.636 41.423 40.800 -0.021 0.000 0.963 337 D HN 0.190 nan 8.370 nan 0.000 0.506 338 A N 1.057 123.881 122.820 0.008 0.000 2.324 338 A HA 0.505 4.825 4.320 -0.000 0.000 0.330 338 A C 0.598 178.205 177.584 0.039 0.000 1.165 338 A CA -0.534 51.520 52.037 0.028 0.000 0.813 338 A CB 0.880 19.908 19.000 0.047 0.000 1.197 338 A HN 0.064 nan 8.150 nan 0.000 0.484 339 S N 1.354 117.075 115.700 0.034 0.000 2.536 339 S HA -0.043 4.426 4.470 -0.000 0.000 0.290 339 S C 1.138 175.780 174.600 0.070 0.000 1.302 339 S CA 0.294 58.517 58.200 0.037 0.000 1.037 339 S CB -0.036 63.183 63.200 0.031 0.000 0.804 339 S HN 1.328 nan 8.310 nan 0.000 0.506 340 L N 1.916 123.175 121.223 0.060 0.000 1.997 340 L HA -0.179 4.161 4.340 -0.000 0.000 0.216 340 L C 2.802 179.744 176.870 0.119 0.000 1.074 340 L CA 2.356 57.257 54.840 0.100 0.000 0.763 340 L CB -0.832 41.267 42.059 0.066 0.000 0.890 340 L HN 0.907 nan 8.230 nan 0.000 0.434 341 R N -0.873 119.668 120.500 0.069 0.000 2.113 341 R HA -0.263 4.077 4.340 -0.000 0.000 0.244 341 R C 2.140 178.471 176.300 0.051 0.000 1.142 341 R CA 1.756 57.885 56.100 0.048 0.000 0.953 341 R CB -0.518 29.799 30.300 0.029 0.000 0.860 341 R HN 0.598 nan 8.270 nan 0.000 0.438 342 A N 0.561 123.422 122.820 0.068 0.000 1.851 342 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 342 A C 1.996 179.636 177.584 0.093 0.000 1.195 342 A CA 1.565 53.643 52.037 0.067 0.000 0.622 342 A CB -1.006 18.038 19.000 0.073 0.000 0.831 342 A HN 0.509 nan 8.150 nan 0.000 0.444 343 F N 0.592 120.535 119.950 -0.011 0.000 2.063 343 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 343 F C 2.439 178.231 175.800 -0.014 0.000 1.109 343 F CA 2.299 60.291 58.000 -0.013 0.000 1.212 343 F CB -0.626 38.366 39.000 -0.013 0.000 0.973 343 F HN 0.130 nan 8.300 nan 0.000 0.480 344 V N 1.776 121.628 119.914 -0.105 0.000 2.261 344 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 344 V C 1.677 177.661 176.094 -0.183 0.000 1.047 344 V CA 1.898 64.080 62.300 -0.197 0.000 1.015 344 V CB -0.504 31.291 31.823 -0.047 0.000 0.642 344 V HN 0.380 nan 8.190 nan 0.000 0.446 345 R N 0.267 120.709 120.500 -0.095 0.000 4.263 345 R HA 0.221 4.561 4.340 -0.000 0.000 0.248 345 R C 0.652 176.903 176.300 -0.081 0.000 1.796 345 R CA 0.434 56.490 56.100 -0.074 0.000 1.518 345 R CB 0.210 30.489 30.300 -0.036 0.000 1.342 345 R HN 0.627 nan 8.270 nan 0.000 0.706 346 E N -0.155 119.961 120.200 -0.140 0.000 3.575 346 E HA -0.103 4.246 4.350 -0.000 0.000 0.263 346 E C 1.462 177.948 176.600 -0.189 0.000 1.230 346 E CA 0.694 57.012 56.400 -0.136 0.000 1.875 346 E CB -0.490 29.145 29.700 -0.110 0.000 1.961 346 E HN -0.026 nan 8.360 nan 0.000 0.904 347 V N 0.800 120.518 119.914 -0.327 0.000 2.278 347 V HA -0.112 4.008 4.120 -0.000 0.000 0.251 347 V C 1.770 177.750 176.094 -0.190 0.000 1.062 347 V CA 2.710 64.829 62.300 -0.302 0.000 1.038 347 V CB -1.386 30.178 31.823 -0.432 0.000 0.646 347 V HN 0.327 nan 8.190 nan 0.000 0.447 348 G N -0.163 108.534 108.800 -0.172 0.000 3.155 348 G HA2 0.456 4.415 3.960 -0.000 0.000 0.213 348 G HA3 0.456 4.415 3.960 -0.000 0.000 0.213 348 G C 0.512 175.360 174.900 -0.087 0.000 1.196 348 G CA 0.417 45.448 45.100 -0.114 0.000 0.846 348 G HN 1.139 nan 8.290 nan 0.000 0.516 349 A N -0.109 122.657 122.820 -0.089 0.000 2.296 349 A HA 0.543 4.863 4.320 -0.000 0.000 0.264 349 A C 1.356 178.907 177.584 -0.055 0.000 1.097 349 A CA -0.609 51.391 52.037 -0.062 0.000 0.811 349 A CB 0.285 19.253 19.000 -0.054 0.000 1.072 349 A HN 0.242 nan 8.150 nan 0.000 0.495 350 R N 0.664 121.141 120.500 -0.038 0.000 2.446 350 R HA -0.069 4.271 4.340 -0.000 0.000 0.209 350 R C 0.566 176.849 176.300 -0.029 0.000 1.175 350 R CA 0.774 56.857 56.100 -0.029 0.000 1.154 350 R CB -1.083 29.207 30.300 -0.016 0.000 0.824 350 R HN 0.734 nan 8.270 nan 0.000 0.485 351 S N -0.985 114.687 115.700 -0.048 0.000 2.571 351 S HA 0.082 4.552 4.470 -0.000 0.000 0.297 351 S C 1.291 175.840 174.600 -0.084 0.000 1.234 351 S CA -0.057 58.106 58.200 -0.062 0.000 1.120 351 S CB 1.531 64.676 63.200 -0.093 0.000 0.923 351 S HN 0.343 nan 8.310 nan 0.000 0.504 352 A N 4.222 127.009 122.820 -0.055 0.000 2.067 352 A HA 0.289 4.608 4.320 -0.000 0.000 0.219 352 A C 2.148 179.521 177.584 -0.352 0.000 1.158 352 A CA 1.178 53.162 52.037 -0.088 0.000 0.661 352 A CB -1.119 17.936 19.000 0.093 0.000 0.801 352 A HN 1.214 nan 8.150 nan 0.000 0.452 353 A N 0.778 123.424 122.820 -0.289 0.000 1.889 353 A HA 0.197 4.517 4.320 -0.000 0.000 0.209 353 A C -1.027 176.332 177.584 -0.376 0.000 1.315 353 A CA 0.828 52.627 52.037 -0.397 0.000 0.611 353 A CB -1.622 17.329 19.000 -0.082 0.000 0.950 353 A HN 0.464 nan 8.150 nan 0.000 0.477 354 P HA 0.463 nan 4.420 nan 0.000 0.272 354 P C -0.072 177.118 177.300 -0.184 0.000 1.223 354 P CA 0.853 63.870 63.100 -0.137 0.000 0.784 354 P CB 0.904 32.546 31.700 -0.098 0.000 0.923 355 G N -0.801 107.916 108.800 -0.137 0.000 2.321 355 G HA2 0.417 4.377 3.960 -0.000 0.000 0.339 355 G HA3 0.417 4.377 3.960 -0.000 0.000 0.339 355 G C 0.113 174.974 174.900 -0.064 0.000 1.518 355 G CA 0.485 45.512 45.100 -0.122 0.000 0.994 355 G HN 0.759 nan 8.290 nan 0.000 0.668 356 G N 0.273 109.056 108.800 -0.029 0.000 3.284 356 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.351 356 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.351 356 G C 2.087 177.028 174.900 0.068 0.000 1.232 356 G CA 2.424 47.538 45.100 0.023 0.000 1.001 356 G HN 2.449 nan 8.290 nan 0.000 0.639 357 G N -0.170 108.666 108.800 0.060 0.000 2.462 357 G HA2 0.033 3.993 3.960 -0.000 0.000 0.220 357 G HA3 0.033 3.993 3.960 -0.000 0.000 0.220 357 G C 2.015 176.964 174.900 0.081 0.000 1.121 357 G CA 2.170 47.317 45.100 0.079 0.000 0.758 357 G HN 1.123 nan 8.290 nan 0.000 0.559 358 S N -0.758 114.988 115.700 0.077 0.000 2.341 358 S HA -0.064 4.405 4.470 -0.000 0.000 0.216 358 S C 2.503 177.216 174.600 0.190 0.000 1.034 358 S CA 1.192 59.469 58.200 0.129 0.000 0.964 358 S CB -0.445 62.846 63.200 0.151 0.000 0.882 358 S HN 0.364 nan 8.310 nan 0.000 0.469 359 V N 2.274 122.291 119.914 0.172 0.000 2.568 359 V HA -0.038 4.082 4.120 -0.000 0.000 0.253 359 V C 2.260 178.441 176.094 0.145 0.000 1.072 359 V CA 2.071 64.482 62.300 0.185 0.000 1.084 359 V CB -1.272 30.606 31.823 0.092 0.000 0.676 359 V HN 0.506 nan 8.190 nan 0.000 0.469 360 A N 0.735 123.633 122.820 0.130 0.000 1.869 360 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 360 A C 2.600 180.243 177.584 0.099 0.000 1.203 360 A CA 3.141 55.256 52.037 0.129 0.000 0.638 360 A CB -1.501 17.581 19.000 0.137 0.000 0.831 360 A HN 1.116 nan 8.150 nan 0.000 0.450 361 A N -0.493 122.377 122.820 0.083 0.000 1.883 361 A HA 0.100 4.419 4.320 -0.000 0.000 0.217 361 A C 2.562 180.163 177.584 0.029 0.000 1.186 361 A CA 2.623 54.687 52.037 0.046 0.000 0.624 361 A CB -1.173 17.848 19.000 0.034 0.000 0.822 361 A HN 1.227 nan 8.150 nan 0.000 0.444 362 A N -0.527 122.322 122.820 0.048 0.000 1.902 362 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 362 A C 2.209 179.814 177.584 0.036 0.000 1.181 362 A CA 1.836 53.881 52.037 0.013 0.000 0.623 362 A CB -1.049 17.974 19.000 0.038 0.000 0.818 362 A HN 0.530 nan 8.150 nan 0.000 0.443 363 V N -0.079 119.880 119.914 0.075 0.000 2.392 363 V HA -0.262 3.857 4.120 -0.000 0.000 0.249 363 V C 2.932 179.052 176.094 0.043 0.000 1.059 363 V CA 1.984 64.325 62.300 0.067 0.000 1.051 363 V CB -1.438 30.438 31.823 0.088 0.000 0.658 363 V HN 0.597 nan 8.190 nan 0.000 0.455 364 A N -0.043 122.799 122.820 0.037 0.000 1.929 364 A HA 0.096 4.415 4.320 -0.000 0.000 0.216 364 A C 2.382 179.960 177.584 -0.010 0.000 1.176 364 A CA 1.669 53.712 52.037 0.011 0.000 0.628 364 A CB -0.602 18.401 19.000 0.006 0.000 0.816 364 A HN 0.560 nan 8.150 nan 0.000 0.444 365 A N -0.657 122.154 122.820 -0.015 0.000 1.968 365 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 365 A C 1.928 179.496 177.584 -0.027 0.000 1.169 365 A CA 1.196 53.215 52.037 -0.031 0.000 0.638 365 A CB -0.392 18.576 19.000 -0.052 0.000 0.812 365 A HN 0.353 nan 8.150 nan 0.000 0.446 366 L N -0.030 121.182 121.223 -0.017 0.000 2.079 366 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 366 L C 2.584 179.445 176.870 -0.016 0.000 1.081 366 L CA 1.930 56.762 54.840 -0.013 0.000 0.752 366 L CB -1.859 40.203 42.059 0.005 0.000 0.896 366 L HN 0.428 nan 8.230 nan 0.000 0.433 367 G N -0.915 107.878 108.800 -0.011 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 1.729 176.604 174.900 -0.042 0.000 1.201 367 G CA 1.118 46.206 45.100 -0.021 0.000 0.784 367 G HN 0.497 nan 8.290 nan 0.000 0.545 368 A N 1.244 124.061 122.820 -0.005 0.000 1.883 368 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 368 A C 2.854 180.433 177.584 -0.008 0.000 1.186 368 A CA 2.694 54.775 52.037 0.073 0.000 0.624 368 A CB -1.020 18.055 19.000 0.124 0.000 0.822 368 A HN 0.975 nan 8.150 nan 0.000 0.444 369 A N -0.614 122.198 122.820 -0.013 0.000 1.940 369 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 369 A C 2.187 179.736 177.584 -0.057 0.000 1.176 369 A CA 1.611 53.637 52.037 -0.017 0.000 0.631 369 A CB -0.610 18.378 19.000 -0.020 0.000 0.814 369 A HN 0.485 nan 8.150 nan 0.000 0.446 370 L N -0.836 120.337 121.223 -0.083 0.000 1.989 370 L HA -0.228 4.111 4.340 -0.000 0.000 0.211 370 L C 3.122 179.878 176.870 -0.190 0.000 1.071 370 L CA 1.390 56.168 54.840 -0.103 0.000 0.749 370 L CB -0.463 41.546 42.059 -0.084 0.000 0.890 370 L HN 0.428 nan 8.230 nan 0.000 0.431 371 A N -1.020 121.588 122.820 -0.353 0.000 1.902 371 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 371 A C 1.781 179.033 177.584 -0.554 0.000 1.181 371 A CA 1.352 52.987 52.037 -0.669 0.000 0.623 371 A CB -0.640 17.473 19.000 -1.479 0.000 0.818 371 A HN 0.423 nan 8.150 nan 0.000 0.443 375 G N 0.959 109.713 108.800 -0.076 0.000 2.476 375 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 375 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 375 G C 0.701 175.614 174.900 0.021 0.000 1.164 375 G CA 1.184 46.263 45.100 -0.035 0.000 0.768 375 G HN 0.595 nan 8.290 nan 0.000 0.560 379 Y N 1.259 121.596 120.300 0.062 0.000 2.633 379 Y HA 0.702 5.252 4.550 -0.000 0.000 0.339 379 Y C 1.046 177.044 175.900 0.163 0.000 1.045 379 Y CA 0.795 58.963 58.100 0.114 0.000 1.098 379 Y CB 1.271 39.796 38.460 0.109 0.000 1.296 379 Y HN 0.301 nan 8.280 nan 0.000 0.494 380 G N 2.969 111.149 108.800 -1.033 0.000 2.574 380 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.301 380 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.301 380 G C -0.097 174.666 174.900 -0.229 0.000 1.166 380 G CA 0.304 45.046 45.100 -0.598 0.000 0.971 380 G HN 0.989 nan 8.290 nan 0.000 0.542 381 R N 1.542 121.980 120.500 -0.102 0.000 4.048 381 R HA -0.142 4.198 4.340 -0.000 0.000 0.110 381 R C 1.348 177.561 176.300 -0.144 0.000 0.432 381 R CA 1.008 57.050 56.100 -0.095 0.000 0.770 381 R CB -0.099 30.159 30.300 -0.070 0.000 1.125 381 R HN 0.753 nan 8.270 nan 0.000 0.220 382 R N 3.173 123.589 120.500 -0.140 0.000 2.740 382 R HA -0.256 4.084 4.340 -0.000 0.000 0.263 382 R C 1.066 177.231 176.300 -0.226 0.000 0.997 382 R CA 1.736 57.752 56.100 -0.141 0.000 1.108 382 R CB 0.336 30.575 30.300 -0.101 0.000 0.969 382 R HN 0.986 nan 8.270 nan 0.000 0.431 383 Q N 0.730 120.413 119.800 -0.195 0.000 7.756 383 Q HA -0.229 4.110 4.340 -0.000 0.000 0.361 383 Q C 0.008 175.857 176.000 -0.253 0.000 1.108 383 Q CA 1.379 57.032 55.803 -0.251 0.000 0.531 383 Q CB -1.765 26.700 28.738 -0.456 0.000 0.169 383 Q HN 0.636 nan 8.270 nan 0.000 0.885 384 F N 2.078 121.900 119.950 -0.213 0.000 2.773 384 F HA 0.186 4.713 4.527 -0.000 0.000 0.304 384 F C 0.949 176.479 175.800 -0.449 0.000 1.129 384 F CA -0.019 57.762 58.000 -0.366 0.000 1.378 384 F CB 0.243 39.135 39.000 -0.180 0.000 1.095 384 F HN 0.192 nan 8.300 nan 0.000 0.565 385 D N -0.004 120.289 120.400 -0.178 0.000 2.126 385 D HA -0.273 4.367 4.640 -0.000 0.000 0.190 385 D C 2.064 178.309 176.300 -0.091 0.000 1.001 385 D CA 1.769 55.708 54.000 -0.102 0.000 0.841 385 D CB -0.690 40.087 40.800 -0.037 0.000 0.949 385 D HN 0.465 nan 8.370 nan 0.000 0.446 386 H N -0.328 118.787 119.070 0.074 0.000 2.557 386 H HA -0.026 4.530 4.556 -0.000 0.000 0.287 386 H C 1.368 176.730 175.328 0.057 0.000 1.043 386 H CA 0.599 56.681 56.048 0.057 0.000 1.226 386 H CB -0.264 29.531 29.762 0.054 0.000 1.361 386 H HN 0.251 nan 8.280 nan 0.000 0.592 387 L N 0.027 121.221 121.223 -0.047 0.000 2.858 387 L HA 0.109 4.448 4.340 -0.000 0.000 0.251 387 L C 1.786 178.665 176.870 0.015 0.000 1.149 387 L CA 0.128 54.976 54.840 0.013 0.000 0.955 387 L CB 0.516 42.556 42.059 -0.033 0.000 1.289 387 L HN 0.058 nan 8.230 nan 0.000 0.542 388 D N 0.295 120.709 120.400 0.024 0.000 2.133 388 D HA -0.229 4.411 4.640 -0.000 0.000 0.195 388 D C 2.246 178.565 176.300 0.031 0.000 0.997 388 D CA 1.895 55.941 54.000 0.077 0.000 0.840 388 D CB 0.313 41.151 40.800 0.062 0.000 0.947 388 D HN 0.333 nan 8.370 nan 0.000 0.452 389 S N -0.932 114.773 115.700 0.009 0.000 2.356 389 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 389 S C 1.331 175.899 174.600 -0.053 0.000 1.032 389 S CA 1.191 59.377 58.200 -0.023 0.000 1.005 389 S CB -1.279 61.921 63.200 -0.000 0.000 0.867 389 S HN 0.338 nan 8.310 nan 0.000 0.449 393 R N 1.081 121.418 120.500 -0.273 0.000 2.173 393 R HA 0.041 4.380 4.340 -0.000 0.000 0.208 393 R C 1.088 177.327 176.300 -0.101 0.000 1.035 393 R CA 1.271 57.279 56.100 -0.153 0.000 1.004 393 R CB 0.335 30.580 30.300 -0.091 0.000 0.917 393 R HN 0.079 nan 8.270 nan 0.000 0.462 394 L N -3.164 118.013 121.223 -0.076 0.000 2.803 394 L HA 0.322 4.661 4.340 -0.000 0.000 0.246 394 L C 1.484 178.430 176.870 0.126 0.000 1.100 394 L CA 0.351 55.200 54.840 0.014 0.000 0.919 394 L CB -0.445 41.658 42.059 0.074 0.000 1.285 394 L HN -0.073 nan 8.230 nan 0.000 0.522 395 I N 1.344 121.956 120.570 0.071 0.000 2.194 395 I HA -0.184 3.986 4.170 -0.000 0.000 0.246 395 I C -0.271 175.968 176.117 0.203 0.000 1.093 395 I CA 1.669 63.058 61.300 0.148 0.000 1.355 395 I CB -1.246 36.807 38.000 0.089 0.000 1.046 395 I HN 0.261 nan 8.210 nan 0.000 0.413 396 P HA -0.136 nan 4.420 nan 0.000 0.210 396 P C -1.238 176.138 177.300 0.127 0.000 1.189 396 P CA 1.951 65.148 63.100 0.161 0.000 0.920 396 P CB -1.482 30.293 31.700 0.124 0.000 0.782 397 P HA -0.232 nan 4.420 nan 0.000 0.219 397 P C 1.460 178.673 177.300 -0.145 0.000 1.153 397 P CA 1.722 64.748 63.100 -0.124 0.000 0.865 397 P CB -0.665 30.867 31.700 -0.281 0.000 0.788 398 F N -1.409 118.550 119.950 0.014 0.000 2.084 398 F HA -0.164 4.363 4.527 -0.000 0.000 0.296 398 F C 3.048 178.862 175.800 0.023 0.000 1.111 398 F CA 1.360 59.360 58.000 -0.000 0.000 1.224 398 F CB -1.109 37.894 39.000 0.005 0.000 0.991 398 F HN 0.042 nan 8.300 nan 0.000 0.471 399 H N 0.459 119.639 119.070 0.183 0.000 2.289 399 H HA -0.219 4.336 4.556 -0.000 0.000 0.296 399 H C 2.179 177.528 175.328 0.034 0.000 1.091 399 H CA 1.806 57.902 56.048 0.080 0.000 1.274 399 H CB -0.240 29.561 29.762 0.064 0.000 1.364 399 H HN 0.279 nan 8.280 nan 0.000 0.490 400 A N 1.189 124.038 122.820 0.049 0.000 1.873 400 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 400 A C 2.753 180.296 177.584 -0.069 0.000 1.186 400 A CA 1.854 53.867 52.037 -0.039 0.000 0.616 400 A CB -1.118 17.900 19.000 0.030 0.000 0.823 400 A HN 0.606 nan 8.150 nan 0.000 0.442 401 A N -0.543 122.248 122.820 -0.049 0.000 1.908 401 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 401 A C 2.467 180.017 177.584 -0.057 0.000 1.181 401 A CA 2.318 54.318 52.037 -0.062 0.000 0.627 401 A CB -1.126 17.823 19.000 -0.085 0.000 0.818 401 A HN 0.651 nan 8.150 nan 0.000 0.445 402 S N -0.117 115.559 115.700 -0.039 0.000 2.377 402 S HA -0.201 4.269 4.470 -0.000 0.000 0.224 402 S C 2.200 176.741 174.600 -0.098 0.000 1.042 402 S CA 2.291 60.459 58.200 -0.054 0.000 1.086 402 S CB -0.653 62.516 63.200 -0.051 0.000 0.995 402 S HN 1.025 nan 8.310 nan 0.000 0.428 403 A N 0.527 123.256 122.820 -0.152 0.000 1.972 403 A HA -0.142 4.177 4.320 -0.000 0.000 0.219 403 A C 2.193 179.715 177.584 -0.104 0.000 1.169 403 A CA 1.849 53.797 52.037 -0.149 0.000 0.635 403 A CB -0.897 17.984 19.000 -0.199 0.000 0.810 403 A HN 0.783 nan 8.150 nan 0.000 0.446 404 Q N -0.630 119.117 119.800 -0.088 0.000 2.119 404 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 404 Q C 1.865 177.833 176.000 -0.054 0.000 0.972 404 Q CA 1.292 57.057 55.803 -0.064 0.000 0.847 404 Q CB -0.158 28.547 28.738 -0.057 0.000 0.903 404 Q HN 0.708 nan 8.270 nan 0.000 0.433 405 L N -0.703 120.486 121.223 -0.057 0.000 2.131 405 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 405 L C 2.392 179.229 176.870 -0.055 0.000 1.087 405 L CA 1.138 55.950 54.840 -0.047 0.000 0.767 405 L CB -0.423 41.610 42.059 -0.043 0.000 0.917 405 L HN 0.155 nan 8.230 nan 0.000 0.441 406 T N -0.918 113.592 114.554 -0.074 0.000 2.737 406 T HA -0.246 4.104 4.350 -0.000 0.000 0.269 406 T C 2.092 176.739 174.700 -0.088 0.000 1.040 406 T CA 1.876 63.918 62.100 -0.097 0.000 1.142 406 T CB -0.260 68.541 68.868 -0.111 0.000 0.861 406 T HN 0.423 nan 8.240 nan 0.000 0.456 407 S N 0.705 116.363 115.700 -0.070 0.000 2.453 407 S HA 0.081 4.551 4.470 -0.000 0.000 0.231 407 S C 1.953 176.533 174.600 -0.034 0.000 1.005 407 S CA 0.338 58.505 58.200 -0.054 0.000 0.949 407 S CB -0.520 62.651 63.200 -0.048 0.000 0.774 407 S HN 0.499 nan 8.310 nan 0.000 0.510 408 L N 1.243 122.449 121.223 -0.029 0.000 2.362 408 L HA -0.020 4.320 4.340 -0.000 0.000 0.219 408 L C 2.362 179.233 176.870 0.002 0.000 1.134 408 L CA 0.443 55.279 54.840 -0.007 0.000 0.807 408 L CB -0.556 41.502 42.059 -0.000 0.000 0.927 408 L HN 0.249 nan 8.230 nan 0.000 0.447 409 V N -0.203 119.699 119.914 -0.020 0.000 2.324 409 V HA -0.333 3.787 4.120 -0.000 0.000 0.250 409 V C 2.057 178.158 176.094 0.013 0.000 1.060 409 V CA 1.976 64.269 62.300 -0.012 0.000 1.042 409 V CB -0.476 31.289 31.823 -0.096 0.000 0.650 409 V HN 0.454 nan 8.190 nan 0.000 0.450 410 D N 0.243 120.642 120.400 -0.001 0.000 2.083 410 D HA -0.058 4.581 4.640 -0.000 0.000 0.199 410 D C 2.264 178.583 176.300 0.033 0.000 0.980 410 D CA 1.687 55.696 54.000 0.014 0.000 0.851 410 D CB -0.915 39.885 40.800 0.000 0.000 0.997 410 D HN 0.317 nan 8.370 nan 0.000 0.449 411 A N 1.093 123.928 122.820 0.026 0.000 1.853 411 A HA -0.422 3.898 4.320 -0.000 0.000 0.255 411 A C 1.952 179.570 177.584 0.057 0.000 2.273 411 A CA 3.285 55.343 52.037 0.036 0.000 0.797 411 A CB -1.580 17.437 19.000 0.028 0.000 0.844 411 A HN 0.412 nan 8.150 nan 0.000 0.520 412 D N -1.048 119.387 120.400 0.059 0.000 2.106 412 D HA -0.055 4.585 4.640 -0.000 0.000 0.191 412 D C 2.046 178.412 176.300 0.109 0.000 0.997 412 D CA 2.578 56.625 54.000 0.078 0.000 0.834 412 D CB -0.362 40.477 40.800 0.065 0.000 0.956 412 D HN 0.535 nan 8.370 nan 0.000 0.448 413 A N -0.078 122.798 122.820 0.094 0.000 1.972 413 A HA -0.159 4.160 4.320 -0.000 0.000 0.219 413 A C 2.285 179.960 177.584 0.152 0.000 1.169 413 A CA 1.641 53.751 52.037 0.122 0.000 0.635 413 A CB -0.641 18.413 19.000 0.089 0.000 0.810 413 A HN 0.252 nan 8.150 nan 0.000 0.446 414 R N -0.526 120.036 120.500 0.103 0.000 2.062 414 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 414 R C 2.446 178.800 176.300 0.090 0.000 1.136 414 R CA 1.377 57.526 56.100 0.083 0.000 0.948 414 R CB -0.488 29.845 30.300 0.055 0.000 0.845 414 R HN 0.431 nan 8.270 nan 0.000 0.430 415 A N 0.908 123.785 122.820 0.096 0.000 1.870 415 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 415 A C 2.054 179.701 177.584 0.106 0.000 1.224 415 A CA 1.957 54.048 52.037 0.091 0.000 0.650 415 A CB -1.214 17.846 19.000 0.101 0.000 0.836 415 A HN 0.557 nan 8.150 nan 0.000 0.454 416 F N 0.858 120.818 119.950 0.017 0.000 2.120 416 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 416 F C 2.504 178.311 175.800 0.011 0.000 1.095 416 F CA 1.658 59.666 58.000 0.015 0.000 1.249 416 F CB -0.458 38.553 39.000 0.020 0.000 0.995 416 F HN 0.251 nan 8.300 nan 0.000 0.480 417 A N -0.200 122.646 122.820 0.043 0.000 2.014 417 A HA 0.098 4.417 4.320 -0.000 0.000 0.218 417 A C 2.322 179.847 177.584 -0.099 0.000 1.163 417 A CA 1.338 53.348 52.037 -0.046 0.000 0.652 417 A CB -1.334 17.704 19.000 0.065 0.000 0.808 417 A HN 0.488 nan 8.150 nan 0.000 0.449 418 A N -1.232 121.551 122.820 -0.063 0.000 1.930 418 A HA -0.084 4.235 4.320 -0.000 0.000 0.215 418 A C 2.238 179.762 177.584 -0.099 0.000 1.176 418 A CA 1.391 53.393 52.037 -0.058 0.000 0.632 418 A CB -1.153 17.834 19.000 -0.022 0.000 0.819 418 A HN 0.536 nan 8.150 nan 0.000 0.445 419 C N -0.995 118.223 119.300 -0.138 0.000 2.429 419 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 419 C C 2.615 177.469 174.990 -0.228 0.000 1.262 419 C CA 1.301 60.218 59.018 -0.168 0.000 1.733 419 C CB -1.314 26.322 27.740 -0.173 0.000 2.010 419 C HN 0.725 nan 8.230 nan 0.000 0.483 420 L N 1.566 122.578 121.223 -0.352 0.000 2.056 420 L HA 0.110 4.450 4.340 -0.000 0.000 0.207 420 L C 2.343 179.109 176.870 -0.173 0.000 1.078 420 L CA 2.547 57.188 54.840 -0.331 0.000 0.749 420 L CB -1.250 40.537 42.059 -0.454 0.000 0.901 420 L HN 0.273 nan 8.230 nan 0.000 0.433 421 G N -0.743 107.976 108.800 -0.135 0.000 2.418 421 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 421 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 421 G C 1.552 176.411 174.900 -0.068 0.000 1.158 421 G CA 0.904 45.956 45.100 -0.080 0.000 0.771 421 G HN 0.675 nan 8.290 nan 0.000 0.545 422 A N 1.073 123.848 122.820 -0.076 0.000 1.835 422 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 422 A C 2.371 179.918 177.584 -0.060 0.000 1.199 422 A CA 1.354 53.355 52.037 -0.060 0.000 0.615 422 A CB -0.590 18.374 19.000 -0.060 0.000 0.838 422 A HN 0.315 nan 8.150 nan 0.000 0.444 423 I N -0.324 120.200 120.570 -0.076 0.000 2.147 423 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 423 I C 2.144 178.230 176.117 -0.051 0.000 1.059 423 I CA 2.143 63.403 61.300 -0.066 0.000 1.320 423 I CB -0.218 37.732 38.000 -0.083 0.000 1.021 423 I HN 0.315 nan 8.210 nan 0.000 0.415 424 K N 1.299 121.666 120.400 -0.055 0.000 2.743 424 K HA 0.092 4.412 4.320 -0.000 0.000 0.219 424 K C -0.027 176.555 176.600 -0.031 0.000 1.003 424 K CA 0.266 56.529 56.287 -0.040 0.000 1.156 424 K CB -0.336 32.138 32.500 -0.042 0.000 0.932 424 K HN 0.182 nan 8.250 nan 0.000 0.490 425 L N 1.262 122.467 121.223 -0.031 0.000 2.296 425 L HA 0.304 4.644 4.340 -0.000 0.000 0.286 425 L C -1.638 175.220 176.870 -0.020 0.000 1.023 425 L CA -2.386 52.440 54.840 -0.025 0.000 0.812 425 L CB 1.349 43.392 42.059 -0.027 0.000 1.223 425 L HN 0.124 nan 8.230 nan 0.000 0.421 426 P HA -0.232 nan 4.420 nan 0.000 0.241 426 P C -0.622 176.670 177.300 -0.013 0.000 0.811 426 P CA 1.192 64.285 63.100 -0.012 0.000 1.119 426 P CB 0.149 31.843 31.700 -0.010 0.000 0.732 427 K N -4.186 116.207 120.400 -0.012 0.000 9.935 427 K HA -0.048 4.271 4.320 -0.000 0.000 1.120 427 K C -0.144 176.451 176.600 -0.009 0.000 0.941 427 K CA 0.047 56.327 56.287 -0.011 0.000 0.774 427 K CB -0.820 31.673 32.500 -0.011 0.000 1.424 427 K HN 0.359 nan 8.250 nan 0.000 0.593 428 N N -1.748 116.947 118.700 -0.008 0.000 1.900 428 N HA -0.176 4.564 4.740 -0.000 0.000 0.204 428 N C -0.429 175.077 175.510 -0.006 0.000 1.591 428 N CA 1.890 54.935 53.050 -0.007 0.000 3.865 428 N CB -0.972 37.511 38.487 -0.006 0.000 0.830 428 N HN 0.782 nan 8.380 nan 0.000 0.485 429 T N 2.250 116.800 114.554 -0.006 0.000 2.910 429 T HA 0.376 4.726 4.350 -0.000 0.000 0.293 429 T C -1.345 173.352 174.700 -0.005 0.000 1.015 429 T CA -1.000 61.097 62.100 -0.005 0.000 1.094 429 T CB 2.009 70.874 68.868 -0.004 0.000 0.968 429 T HN 0.037 nan 8.240 nan 0.000 0.521 430 P HA -0.162 nan 4.420 nan 0.000 0.216 430 P C 1.220 178.517 177.300 -0.005 0.000 1.150 430 P CA 1.258 64.355 63.100 -0.005 0.000 0.843 430 P CB 0.168 31.865 31.700 -0.004 0.000 0.787 431 E N 0.438 120.635 120.200 -0.005 0.000 2.085 431 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 431 E C 1.061 177.658 176.600 -0.006 0.000 0.994 431 E CA 0.893 57.291 56.400 -0.005 0.000 0.801 431 E CB -0.034 29.664 29.700 -0.004 0.000 0.743 431 E HN 0.228 nan 8.360 nan 0.000 0.453 432 E N -0.652 119.544 120.200 -0.006 0.000 3.588 432 E HA 0.082 4.431 4.350 -0.000 0.000 0.213 432 E C 0.279 176.873 176.600 -0.009 0.000 1.168 432 E CA -0.242 56.153 56.400 -0.008 0.000 1.254 432 E CB 0.499 30.194 29.700 -0.008 0.000 1.302 432 E HN -0.026 nan 8.360 nan 0.000 0.429 433 R N 0.307 120.802 120.500 -0.009 0.000 2.493 433 R HA 0.109 4.449 4.340 -0.000 0.000 0.177 433 R C 0.687 176.980 176.300 -0.012 0.000 0.861 433 R CA 0.759 56.852 56.100 -0.011 0.000 1.083 433 R CB -0.135 30.159 30.300 -0.009 0.000 1.328 433 R HN 0.114 nan 8.270 nan 0.000 0.615 434 D N 0.423 120.817 120.400 -0.010 0.000 2.392 434 D HA -0.032 4.608 4.640 -0.000 0.000 0.228 434 D C 1.239 177.533 176.300 -0.010 0.000 1.003 434 D CA 0.688 54.682 54.000 -0.010 0.000 0.917 434 D CB 0.232 41.028 40.800 -0.008 0.000 0.890 434 D HN 0.200 nan 8.370 nan 0.000 0.532 435 R N -0.289 120.205 120.500 -0.011 0.000 2.342 435 R HA 0.160 4.500 4.340 -0.000 0.000 0.204 435 R C 2.056 178.348 176.300 -0.014 0.000 0.882 435 R CA -0.201 55.892 56.100 -0.011 0.000 1.041 435 R CB 0.469 30.763 30.300 -0.008 0.000 1.188 435 R HN -0.131 nan 8.270 nan 0.000 0.598 436 R N -0.054 120.437 120.500 -0.015 0.000 2.073 436 R HA -0.107 4.232 4.340 -0.000 0.000 0.234 436 R C 1.622 177.908 176.300 -0.023 0.000 1.134 436 R CA 2.103 58.191 56.100 -0.019 0.000 0.952 436 R CB -0.618 29.670 30.300 -0.019 0.000 0.850 436 R HN 0.122 nan 8.270 nan 0.000 0.433 437 T N 0.359 114.900 114.554 -0.021 0.000 2.635 437 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 437 T C 2.025 176.709 174.700 -0.027 0.000 1.040 437 T CA 1.779 63.864 62.100 -0.024 0.000 1.156 437 T CB -0.631 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 1.513 120.800 119.300 -0.022 0.000 2.411 438 C HA 0.120 4.580 4.460 -0.000 0.000 0.279 438 C C 2.942 177.918 174.990 -0.025 0.000 1.288 438 C CA 1.077 60.082 59.018 -0.022 0.000 1.764 438 C CB -1.585 26.146 27.740 -0.015 0.000 1.974 438 C HN 0.611 nan 8.230 nan 0.000 0.498 439 A N -0.114 122.691 122.820 -0.024 0.000 1.975 439 A HA 0.134 4.454 4.320 -0.000 0.000 0.215 439 A C 2.026 179.590 177.584 -0.034 0.000 1.170 439 A CA 1.230 53.252 52.037 -0.026 0.000 0.656 439 A CB -0.674 18.313 19.000 -0.023 0.000 0.821 439 A HN 0.613 nan 8.150 nan 0.000 0.449 440 L N -0.316 120.884 121.223 -0.039 0.000 2.046 440 L HA -0.155 4.184 4.340 -0.000 0.000 0.208 440 L C 2.295 179.133 176.870 -0.053 0.000 1.077 440 L CA 2.548 57.360 54.840 -0.047 0.000 0.747 440 L CB -1.031 41.001 42.059 -0.045 0.000 0.896 440 L HN 0.394 nan 8.230 nan 0.000 0.432 441 Q N -0.056 119.711 119.800 -0.055 0.000 2.045 441 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 441 Q C 2.301 178.253 176.000 -0.080 0.000 0.991 441 Q CA 2.023 57.781 55.803 -0.074 0.000 0.851 441 Q CB -0.425 28.271 28.738 -0.070 0.000 0.911 441 Q HN 0.514 nan 8.270 nan 0.000 0.418 442 E N -0.749 119.418 120.200 -0.056 0.000 2.265 442 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 442 E C 1.522 178.100 176.600 -0.035 0.000 0.996 442 E CA 0.880 57.255 56.400 -0.040 0.000 0.832 442 E CB -0.273 29.415 29.700 -0.021 0.000 0.756 442 E HN 0.472 nan 8.360 nan 0.000 0.491 443 G N 1.637 110.412 108.800 -0.042 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 1.648 176.525 174.900 -0.038 0.000 1.321 443 G CA 1.062 46.138 45.100 -0.040 0.000 0.826 443 G HN 0.265 nan 8.290 nan 0.000 0.595 444 L N -0.078 121.115 121.223 -0.050 0.000 2.082 444 L HA -0.292 4.047 4.340 -0.000 0.000 0.223 444 L C 3.003 179.836 176.870 -0.061 0.000 1.086 444 L CA 1.898 56.708 54.840 -0.051 0.000 0.793 444 L CB -0.759 41.256 42.059 -0.074 0.000 0.896 444 L HN 0.219 nan 8.230 nan 0.000 0.441 445 R N 0.029 120.470 120.500 -0.098 0.000 2.196 445 R HA -0.301 4.039 4.340 -0.000 0.000 0.244 445 R C 2.393 178.697 176.300 0.006 0.000 1.121 445 R CA 2.655 58.700 56.100 -0.091 0.000 0.930 445 R CB -0.549 29.714 30.300 -0.063 0.000 0.890 445 R HN 0.577 nan 8.270 nan 0.000 0.435 446 Q N -0.802 119.007 119.800 0.016 0.000 2.050 446 Q HA -0.130 4.209 4.340 -0.000 0.000 0.202 446 Q C 2.216 178.244 176.000 0.046 0.000 0.980 446 Q CA 1.558 57.385 55.803 0.039 0.000 0.840 446 Q CB -0.239 28.517 28.738 0.031 0.000 0.898 446 Q HN 0.432 nan 8.270 nan 0.000 0.424 447 A N 0.518 123.361 122.820 0.038 0.000 1.927 447 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 447 A C 2.356 179.974 177.584 0.057 0.000 1.185 447 A CA 1.811 53.883 52.037 0.059 0.000 0.639 447 A CB -0.914 18.119 19.000 0.055 0.000 0.820 447 A HN 0.235 nan 8.150 nan 0.000 0.451 448 V N -0.481 119.459 119.914 0.043 0.000 2.244 448 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 448 V C 3.067 179.211 176.094 0.082 0.000 1.042 448 V CA 1.885 64.220 62.300 0.058 0.000 1.006 448 V CB -1.254 30.601 31.823 0.055 0.000 0.641 448 V HN 0.642 nan 8.190 nan 0.000 0.446 449 A N -0.131 122.748 122.820 0.098 0.000 1.997 449 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 449 A C 2.454 180.078 177.584 0.066 0.000 1.172 449 A CA 2.425 54.521 52.037 0.099 0.000 0.645 449 A CB -0.817 18.245 19.000 0.102 0.000 0.813 449 A HN 0.534 nan 8.150 nan 0.000 0.454 450 V N -0.348 119.602 119.914 0.060 0.000 2.255 450 V HA -0.061 4.059 4.120 -0.000 0.000 0.243 450 V C -0.275 175.846 176.094 0.045 0.000 1.038 450 V CA 2.074 64.403 62.300 0.049 0.000 1.008 450 V CB -1.364 30.488 31.823 0.049 0.000 0.645 450 V HN 0.393 nan 8.190 nan 0.000 0.449 451 P HA -0.171 nan 4.420 nan 0.000 0.216 451 P C 2.220 179.544 177.300 0.040 0.000 1.154 451 P CA 1.839 64.969 63.100 0.050 0.000 0.865 451 P CB -0.300 31.433 31.700 0.057 0.000 0.789 452 L N -0.218 121.031 121.223 0.044 0.000 1.990 452 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 452 L C 2.086 178.971 176.870 0.024 0.000 1.072 452 L CA 2.260 57.123 54.840 0.038 0.000 0.755 452 L CB -1.268 40.825 42.059 0.057 0.000 0.889 452 L HN -0.048 nan 8.230 nan 0.000 0.432 453 K N 0.173 120.588 120.400 0.024 0.000 2.001 453 K HA -0.232 4.088 4.320 -0.000 0.000 0.214 453 K C 2.193 178.793 176.600 -0.000 0.000 1.050 453 K CA 1.832 58.125 56.287 0.009 0.000 0.934 453 K CB -1.148 31.359 32.500 0.011 0.000 0.718 453 K HN 0.385 nan 8.250 nan 0.000 0.443 454 L N 0.768 121.995 121.223 0.006 0.000 2.103 454 L HA -0.232 4.108 4.340 -0.000 0.000 0.215 454 L C 1.995 178.860 176.870 -0.009 0.000 1.080 454 L CA 2.494 57.334 54.840 0.000 0.000 0.764 454 L CB -1.025 41.045 42.059 0.019 0.000 0.890 454 L HN 0.201 nan 8.230 nan 0.000 0.435 455 A N -0.772 122.049 122.820 0.003 0.000 1.823 455 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 455 A C 1.963 179.539 177.584 -0.012 0.000 1.225 455 A CA 1.164 53.202 52.037 0.001 0.000 0.604 455 A CB -0.826 18.183 19.000 0.016 0.000 0.878 455 A HN 0.502 nan 8.150 nan 0.000 0.450 456 E N -0.551 119.646 120.200 -0.005 0.000 2.196 456 E HA -0.339 4.011 4.350 -0.000 0.000 0.222 456 E C 2.121 178.698 176.600 -0.038 0.000 1.072 456 E CA 2.312 58.704 56.400 -0.012 0.000 0.902 456 E CB -1.258 28.436 29.700 -0.010 0.000 0.780 456 E HN 0.698 nan 8.360 nan 0.000 0.467 457 T N 0.262 114.787 114.554 -0.049 0.000 2.777 457 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 457 T C 2.042 176.665 174.700 -0.129 0.000 1.040 457 T CA 1.572 63.627 62.100 -0.076 0.000 1.141 457 T CB -0.288 68.543 68.868 -0.063 0.000 0.868 457 T HN 0.054 nan 8.240 nan 0.000 0.444 458 V N 1.238 121.065 119.914 -0.146 0.000 2.515 458 V HA -0.037 4.082 4.120 -0.000 0.000 0.250 458 V C 2.759 178.601 176.094 -0.420 0.000 1.058 458 V CA 2.195 64.335 62.300 -0.266 0.000 1.064 458 V CB -0.646 31.047 31.823 -0.216 0.000 0.675 458 V HN 0.685 nan 8.190 nan 0.000 0.461 459 S N -1.288 114.289 115.700 -0.205 0.000 2.474 459 S HA -0.201 4.269 4.470 -0.000 0.000 0.235 459 S C 1.854 176.443 174.600 -0.018 0.000 0.997 459 S CA 1.621 59.795 58.200 -0.043 0.000 0.949 459 S CB -0.172 63.082 63.200 0.090 0.000 0.766 459 S HN 0.751 nan 8.310 nan 0.000 0.517 460 Q N -0.464 119.268 119.800 -0.114 0.000 2.269 460 Q HA 0.138 4.477 4.340 -0.000 0.000 0.201 460 Q C 1.391 177.300 176.000 -0.152 0.000 0.946 460 Q CA 0.629 56.377 55.803 -0.092 0.000 0.877 460 Q CB 0.047 28.721 28.738 -0.107 0.000 0.963 460 Q HN 0.413 nan 8.270 nan 0.000 0.472 461 L N -1.290 119.760 121.223 -0.287 0.000 2.291 461 L HA -0.077 4.262 4.340 -0.000 0.000 0.214 461 L C 1.397 178.176 176.870 -0.153 0.000 1.120 461 L CA 1.206 55.807 54.840 -0.399 0.000 0.799 461 L CB -1.100 40.682 42.059 -0.461 0.000 0.925 461 L HN 0.329 nan 8.230 nan 0.000 0.446 462 W N 1.511 122.799 121.300 -0.020 0.000 2.283 462 W HA -0.284 4.376 4.660 -0.001 0.000 0.335 462 W C 0.087 176.622 176.519 0.026 0.000 1.313 462 W CA 1.391 58.751 57.345 0.024 0.000 1.263 462 W CB -1.779 27.683 29.460 0.003 0.000 1.141 462 W HN 0.154 nan 8.180 nan 0.000 0.468 463 P HA -0.164 nan 4.420 nan 0.000 0.217 463 P C 1.172 178.542 177.300 0.117 0.000 1.150 463 P CA 2.766 65.951 63.100 0.141 0.000 0.832 463 P CB -0.405 31.341 31.700 0.077 0.000 0.787 464 A N 0.023 122.883 122.820 0.067 0.000 1.898 464 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 464 A C 2.266 180.014 177.584 0.273 0.000 1.181 464 A CA 1.389 53.473 52.037 0.078 0.000 0.620 464 A CB -1.664 17.271 19.000 -0.108 0.000 0.819 464 A HN 0.173 nan 8.150 nan 0.000 0.442 465 L N -0.292 121.181 121.223 0.417 0.000 2.042 465 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 465 L C 2.500 179.536 176.870 0.277 0.000 1.076 465 L CA 2.777 57.922 54.840 0.508 0.000 0.749 465 L CB -0.692 41.682 42.059 0.525 0.000 0.893 465 L HN 0.509 nan 8.230 nan 0.000 0.432 466 Q N -0.085 119.863 119.800 0.246 0.000 2.061 466 Q HA -0.291 4.048 4.340 -0.000 0.000 0.204 466 Q C 2.264 178.328 176.000 0.107 0.000 0.984 466 Q CA 2.382 58.278 55.803 0.155 0.000 0.846 466 Q CB -0.309 28.505 28.738 0.127 0.000 0.902 466 Q HN 0.716 nan 8.270 nan 0.000 0.421 467 E N -0.980 119.284 120.200 0.107 0.000 2.158 467 E HA -0.145 4.204 4.350 -0.000 0.000 0.191 467 E C 1.743 178.385 176.600 0.070 0.000 0.982 467 E CA 0.693 57.137 56.400 0.075 0.000 0.823 467 E CB -0.087 29.651 29.700 0.064 0.000 0.766 467 E HN 0.403 nan 8.360 nan 0.000 0.468 468 L N 0.599 121.882 121.223 0.100 0.000 2.217 468 L HA 0.069 4.409 4.340 -0.000 0.000 0.211 468 L C 2.074 178.959 176.870 0.025 0.000 1.107 468 L CA 1.773 56.650 54.840 0.062 0.000 0.783 468 L CB -0.352 41.757 42.059 0.083 0.000 0.919 468 L HN 0.159 nan 8.230 nan 0.000 0.442 469 A N -1.491 121.358 122.820 0.048 0.000 2.119 469 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 469 A C 2.055 179.654 177.584 0.025 0.000 1.152 469 A CA 0.736 52.792 52.037 0.033 0.000 0.708 469 A CB -0.279 18.754 19.000 0.056 0.000 0.805 469 A HN 0.519 nan 8.150 nan 0.000 0.460 470 Q N 0.220 120.037 119.800 0.029 0.000 1.941 470 Q HA -0.091 4.248 4.340 -0.000 0.000 0.201 470 Q C 2.206 178.218 176.000 0.020 0.000 0.982 470 Q CA 1.645 57.463 55.803 0.025 0.000 0.839 470 Q CB -1.092 27.664 28.738 0.029 0.000 0.904 470 Q HN 0.848 nan 8.270 nan 0.000 0.427 471 C N -1.277 118.033 119.300 0.017 0.000 1.486 471 C HA 0.763 5.222 4.460 -0.000 0.000 0.114 471 C C 1.056 176.025 174.990 -0.035 0.000 2.960 471 C CA 0.099 59.122 59.018 0.009 0.000 1.826 471 C CB -0.653 27.101 27.740 0.023 0.000 2.348 471 C HN 0.792 nan 8.230 nan 0.000 0.242 472 G N 2.348 111.088 108.800 -0.099 0.000 3.429 472 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.605 472 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.605 472 G C 0.115 174.904 174.900 -0.184 0.000 0.973 472 G CA 0.480 45.484 45.100 -0.160 0.000 0.774 472 G HN 1.316 nan 8.290 nan 0.000 0.422 473 N N 0.652 119.138 118.700 -0.355 0.000 1.029 473 N HA -0.319 4.421 4.740 -0.000 0.000 0.151 473 N C 1.556 177.037 175.510 -0.049 0.000 0.304 473 N CA 2.879 55.761 53.050 -0.280 0.000 0.986 473 N CB -0.451 37.959 38.487 -0.128 0.000 1.631 473 N HN 1.668 nan 8.380 nan 0.000 0.459 474 L N -3.242 117.983 121.223 0.002 0.000 1.455 474 L HA -0.108 4.232 4.340 -0.000 0.000 0.477 474 L C 1.150 178.043 176.870 0.039 0.000 0.852 474 L CA 0.829 55.688 54.840 0.030 0.000 2.245 474 L CB -1.413 40.684 42.059 0.063 0.000 1.468 474 L HN 0.318 nan 8.230 nan 0.000 0.523 475 S N -0.771 114.964 115.700 0.058 0.000 2.561 475 S HA 0.016 4.486 4.470 -0.000 0.000 0.225 475 S C 1.083 175.703 174.600 0.032 0.000 0.977 475 S CA 0.873 59.105 58.200 0.053 0.000 0.926 475 S CB -0.452 62.792 63.200 0.074 0.000 0.769 475 S HN 0.628 nan 8.310 nan 0.000 0.533 476 C N 1.215 120.525 119.300 0.017 0.000 2.688 476 C HA 0.380 4.840 4.460 -0.000 0.000 0.297 476 C C 1.883 176.870 174.990 -0.006 0.000 1.308 476 C CA -0.726 58.292 59.018 0.000 0.000 1.726 476 C CB -1.773 25.957 27.740 -0.017 0.000 1.982 476 C HN 0.519 nan 8.230 nan 0.000 0.604 477 L N 2.619 123.844 121.223 0.003 0.000 1.991 477 L HA -0.250 4.090 4.340 -0.000 0.000 0.221 477 L C 2.887 179.758 176.870 0.003 0.000 1.079 477 L CA 2.817 57.659 54.840 0.004 0.000 0.778 477 L CB -0.692 41.375 42.059 0.012 0.000 0.893 477 L HN 0.519 nan 8.230 nan 0.000 0.437 478 S N -1.037 114.667 115.700 0.006 0.000 2.380 478 S HA -0.333 4.137 4.470 -0.000 0.000 0.229 478 S C 1.831 176.431 174.600 0.000 0.000 1.050 478 S CA 1.874 60.077 58.200 0.006 0.000 1.100 478 S CB -1.134 62.070 63.200 0.007 0.000 0.984 478 S HN 0.589 nan 8.310 nan 0.000 0.434 479 D N 1.177 121.572 120.400 -0.007 0.000 2.182 479 D HA -0.030 4.610 4.640 -0.000 0.000 0.201 479 D C 2.057 178.339 176.300 -0.031 0.000 0.986 479 D CA 0.852 54.840 54.000 -0.019 0.000 0.847 479 D CB -0.295 40.490 40.800 -0.025 0.000 0.942 479 D HN 0.289 nan 8.370 nan 0.000 0.467 480 L N 1.132 122.336 121.223 -0.030 0.000 2.072 480 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 480 L C 2.434 179.304 176.870 -0.000 0.000 1.079 480 L CA 1.342 56.161 54.840 -0.035 0.000 0.752 480 L CB -0.880 41.160 42.059 -0.031 0.000 0.906 480 L HN 0.114 nan 8.230 nan 0.000 0.436 481 Q N -0.880 118.926 119.800 0.011 0.000 2.061 481 Q HA -0.190 4.150 4.340 -0.000 0.000 0.204 481 Q C 2.175 178.195 176.000 0.035 0.000 0.984 481 Q CA 1.625 57.445 55.803 0.028 0.000 0.846 481 Q CB -0.500 28.251 28.738 0.022 0.000 0.902 481 Q HN 0.323 nan 8.270 nan 0.000 0.421 482 V N 1.575 121.501 119.914 0.021 0.000 2.287 482 V HA -0.326 3.793 4.120 -0.000 0.000 0.248 482 V C 2.433 178.544 176.094 0.028 0.000 1.053 482 V CA 1.906 64.220 62.300 0.023 0.000 1.027 482 V CB -1.218 30.612 31.823 0.012 0.000 0.646 482 V HN 0.440 nan 8.190 nan 0.000 0.447 483 A N 0.152 122.976 122.820 0.007 0.000 1.865 483 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 483 A C 2.483 180.094 177.584 0.046 0.000 1.191 483 A CA 2.564 54.595 52.037 -0.009 0.000 0.623 483 A CB -1.080 17.874 19.000 -0.076 0.000 0.826 483 A HN 0.608 nan 8.150 nan 0.000 0.444 484 A N -0.667 122.208 122.820 0.092 0.000 1.873 484 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 484 A C 2.140 179.859 177.584 0.226 0.000 1.193 484 A CA 2.165 54.329 52.037 0.213 0.000 0.629 484 A CB -0.501 18.615 19.000 0.192 0.000 0.826 484 A HN 0.344 nan 8.150 nan 0.000 0.447 485 K N -0.342 120.145 120.400 0.145 0.000 2.103 485 K HA -0.073 4.246 4.320 -0.000 0.000 0.207 485 K C 2.238 178.920 176.600 0.138 0.000 1.048 485 K CA 1.384 57.753 56.287 0.136 0.000 0.930 485 K CB -0.739 31.811 32.500 0.083 0.000 0.716 485 K HN 0.487 nan 8.250 nan 0.000 0.444 486 A N 0.758 123.639 122.820 0.101 0.000 1.873 486 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 486 A C 2.264 179.905 177.584 0.096 0.000 1.186 486 A CA 1.101 53.188 52.037 0.084 0.000 0.616 486 A CB -0.545 18.483 19.000 0.047 0.000 0.823 486 A HN 0.185 nan 8.150 nan 0.000 0.442 487 L N -0.131 121.134 121.223 0.070 0.000 2.127 487 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 487 L C 2.470 179.428 176.870 0.147 0.000 1.089 487 L CA 1.984 56.825 54.840 0.000 0.000 0.757 487 L CB -0.453 41.464 42.059 -0.237 0.000 0.899 487 L HN 0.612 nan 8.230 nan 0.000 0.434 488 E N -0.367 120.018 120.200 0.308 0.000 2.031 488 E HA -0.271 4.078 4.350 -0.000 0.000 0.193 488 E C 2.207 179.051 176.600 0.407 0.000 0.994 488 E CA 1.877 58.530 56.400 0.422 0.000 0.800 488 E CB -0.069 29.870 29.700 0.398 0.000 0.752 488 E HN 0.507 nan 8.360 nan 0.000 0.447 489 T N -1.713 113.039 114.554 0.331 0.000 2.951 489 T HA -0.003 4.347 4.350 -0.000 0.000 0.268 489 T C 1.868 176.746 174.700 0.297 0.000 1.073 489 T CA 1.259 63.566 62.100 0.345 0.000 1.134 489 T CB -0.509 68.465 68.868 0.176 0.000 0.884 489 T HN 0.263 nan 8.240 nan 0.000 0.479 490 G N 1.520 110.439 108.800 0.199 0.000 2.514 490 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.217 490 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.217 490 G C 1.654 176.631 174.900 0.128 0.000 1.198 490 G CA 1.466 46.647 45.100 0.135 0.000 0.780 490 G HN 0.537 nan 8.290 nan 0.000 0.565 491 V N 0.121 120.102 119.914 0.112 0.000 2.490 491 V HA -0.099 4.020 4.120 -0.000 0.000 0.250 491 V C 2.435 178.495 176.094 -0.056 0.000 1.061 491 V CA 1.502 63.823 62.300 0.035 0.000 1.064 491 V CB -0.762 31.082 31.823 0.035 0.000 0.670 491 V HN 0.282 nan 8.190 nan 0.000 0.461 492 F N 1.777 121.699 119.950 -0.046 0.000 2.046 492 F HA -0.074 4.452 4.527 -0.000 0.000 0.297 492 F C 2.604 178.234 175.800 -0.283 0.000 1.123 492 F CA 2.116 59.970 58.000 -0.243 0.000 1.199 492 F CB -1.214 37.762 39.000 -0.040 0.000 0.972 492 F HN 0.200 nan 8.300 nan 0.000 0.474 493 G N -0.418 108.568 108.800 0.311 0.000 2.529 493 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.219 493 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.219 493 G C 1.836 176.863 174.900 0.212 0.000 1.177 493 G CA 1.300 46.625 45.100 0.375 0.000 0.773 493 G HN 0.532 nan 8.290 nan 0.000 0.573 494 A N 0.176 123.063 122.820 0.112 0.000 1.873 494 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 494 A C 2.173 179.781 177.584 0.040 0.000 1.193 494 A CA 2.005 54.084 52.037 0.070 0.000 0.629 494 A CB -1.004 18.023 19.000 0.046 0.000 0.826 494 A HN 0.593 nan 8.150 nan 0.000 0.447 495 Y N -0.218 119.974 120.300 -0.180 0.000 1.977 495 Y HA -0.368 4.182 4.550 -0.000 0.000 0.264 495 Y C 2.124 177.946 175.900 -0.129 0.000 1.167 495 Y CA 2.570 60.522 58.100 -0.248 0.000 1.102 495 Y CB -0.777 37.390 38.460 -0.488 0.000 0.948 495 Y HN 0.315 nan 8.280 nan 0.000 0.489 496 F N 0.289 120.309 119.950 0.117 0.000 2.063 496 F HA -0.321 4.205 4.527 -0.000 0.000 0.298 496 F C 2.234 177.992 175.800 -0.070 0.000 1.109 496 F CA 1.839 59.838 58.000 -0.002 0.000 1.212 496 F CB -0.949 38.135 39.000 0.140 0.000 0.973 496 F HN 0.134 nan 8.300 nan 0.000 0.480 497 N N 0.169 118.983 118.700 0.191 0.000 2.166 497 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 497 N C 1.707 177.242 175.510 0.041 0.000 1.019 497 N CA 1.323 54.443 53.050 0.117 0.000 0.856 497 N CB -0.250 38.310 38.487 0.122 0.000 0.993 497 N HN 0.027 nan 8.380 nan 0.000 0.426 498 V N 0.553 120.459 119.914 -0.013 0.000 2.237 498 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 498 V C 2.098 178.155 176.094 -0.062 0.000 1.046 498 V CA 1.321 63.602 62.300 -0.032 0.000 1.007 498 V CB -0.844 30.948 31.823 -0.052 0.000 0.638 498 V HN 0.172 nan 8.190 nan 0.000 0.445 499 L N -0.177 120.949 121.223 -0.161 0.000 1.957 499 L HA -0.274 4.066 4.340 -0.000 0.000 0.228 499 L C 2.399 179.243 176.870 -0.043 0.000 1.086 499 L CA 2.512 57.271 54.840 -0.136 0.000 0.796 499 L CB -0.779 41.143 42.059 -0.228 0.000 0.900 499 L HN 0.272 nan 8.230 nan 0.000 0.439 500 I N -0.699 119.866 120.570 -0.007 0.000 2.290 500 I HA -0.430 3.740 4.170 -0.000 0.000 0.253 500 I C 1.978 178.101 176.117 0.011 0.000 1.112 500 I CA 1.951 63.261 61.300 0.017 0.000 1.377 500 I CB -0.142 37.882 38.000 0.040 0.000 1.060 500 I HN 0.480 nan 8.210 nan 0.000 0.428 501 N N 0.262 118.967 118.700 0.007 0.000 2.173 501 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 501 N C 1.642 177.137 175.510 -0.025 0.000 1.025 501 N CA 0.891 53.940 53.050 -0.001 0.000 0.852 501 N CB -0.169 38.321 38.487 0.005 0.000 0.998 501 N HN 0.149 nan 8.380 nan 0.000 0.427 502 L N 1.648 122.854 121.223 -0.028 0.000 2.357 502 L HA -0.197 4.143 4.340 -0.000 0.000 0.220 502 L C 1.959 178.812 176.870 -0.028 0.000 1.123 502 L CA 1.333 56.152 54.840 -0.035 0.000 0.782 502 L CB -0.290 41.763 42.059 -0.010 0.000 0.910 502 L HN 0.159 nan 8.230 nan 0.000 0.442 503 K N -0.093 120.297 120.400 -0.017 0.000 2.032 503 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 503 K C 0.425 177.015 176.600 -0.017 0.000 1.048 503 K CA 1.426 57.707 56.287 -0.010 0.000 0.927 503 K CB -0.402 32.098 32.500 -0.001 0.000 0.712 503 K HN 0.444 nan 8.250 nan 0.000 0.441 507 D N 1.280 121.670 120.400 -0.016 0.000 2.834 507 D HA -0.020 4.620 4.640 -0.000 0.000 0.091 507 D C 0.077 176.413 176.300 0.059 0.000 0.800 507 D CA 0.074 54.084 54.000 0.017 0.000 1.263 507 D CB -0.943 39.852 40.800 -0.008 0.000 0.623 507 D HN 0.514 nan 8.370 nan 0.000 0.579 508 D N -0.007 120.422 120.400 0.049 0.000 2.144 508 D HA -0.097 4.542 4.640 -0.000 0.000 0.199 508 D C 2.292 178.643 176.300 0.085 0.000 0.984 508 D CA 1.490 55.524 54.000 0.056 0.000 0.834 508 D CB 0.126 40.947 40.800 0.036 0.000 0.955 508 D HN 0.383 nan 8.370 nan 0.000 0.465 509 V N 1.187 121.153 119.914 0.087 0.000 2.215 509 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 509 V C 2.159 178.339 176.094 0.144 0.000 1.047 509 V CA 1.940 64.292 62.300 0.087 0.000 0.999 509 V CB -1.106 30.760 31.823 0.071 0.000 0.635 509 V HN 0.147 nan 8.190 nan 0.000 0.450 510 F N 0.903 120.856 119.950 0.006 0.000 2.063 510 F HA -0.333 4.194 4.527 -0.001 0.000 0.297 510 F C 2.515 178.322 175.800 0.012 0.000 1.099 510 F CA 2.345 60.350 58.000 0.008 0.000 1.220 510 F CB -0.132 38.872 39.000 0.007 0.000 0.972 510 F HN 0.070 nan 8.300 nan 0.000 0.487 511 K N 0.201 120.836 120.400 0.392 0.000 1.974 511 K HA -0.311 4.008 4.320 -0.000 0.000 0.226 511 K C 2.000 178.704 176.600 0.172 0.000 1.039 511 K CA 1.786 58.211 56.287 0.231 0.000 1.022 511 K CB -0.904 31.656 32.500 0.101 0.000 0.746 511 K HN 0.350 nan 8.250 nan 0.000 0.445 512 E N 1.451 121.719 120.200 0.112 0.000 2.217 512 E HA -0.359 3.991 4.350 -0.000 0.000 0.219 512 E C 2.083 178.737 176.600 0.091 0.000 1.070 512 E CA 2.050 58.500 56.400 0.084 0.000 0.889 512 E CB -0.099 29.631 29.700 0.050 0.000 0.768 512 E HN 0.251 nan 8.360 nan 0.000 0.465 513 K N -0.556 119.888 120.400 0.075 0.000 2.009 513 K HA -0.137 4.182 4.320 -0.000 0.000 0.210 513 K C 2.187 178.836 176.600 0.082 0.000 1.049 513 K CA 2.047 58.362 56.287 0.048 0.000 0.929 513 K CB -0.223 32.264 32.500 -0.022 0.000 0.714 513 K HN 0.134 nan 8.250 nan 0.000 0.440 514 T N 0.758 115.369 114.554 0.094 0.000 2.777 514 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 514 T C 1.811 176.576 174.700 0.108 0.000 1.040 514 T CA 1.552 63.716 62.100 0.106 0.000 1.141 514 T CB -0.251 68.758 68.868 0.235 0.000 0.868 514 T HN 0.358 nan 8.240 nan 0.000 0.444 515 R N 0.361 120.933 120.500 0.119 0.000 2.113 515 R HA -0.213 4.127 4.340 -0.000 0.000 0.244 515 R C 2.415 178.791 176.300 0.126 0.000 1.142 515 R CA 1.908 58.066 56.100 0.096 0.000 0.953 515 R CB -0.447 29.913 30.300 0.100 0.000 0.860 515 R HN 0.560 nan 8.270 nan 0.000 0.438 516 H N -0.417 118.681 119.070 0.047 0.000 2.355 516 H HA -0.040 4.516 4.556 -0.000 0.000 0.303 516 H C 2.028 177.379 175.328 0.037 0.000 1.061 516 H CA 1.530 57.604 56.048 0.043 0.000 1.368 516 H CB 0.097 29.875 29.762 0.027 0.000 1.412 516 H HN 0.083 nan 8.280 nan 0.000 0.523 517 R N 1.141 121.692 120.500 0.085 0.000 2.096 517 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 517 R C 2.390 178.675 176.300 -0.024 0.000 1.139 517 R CA 1.638 57.746 56.100 0.014 0.000 0.952 517 R CB -1.256 29.068 30.300 0.041 0.000 0.854 517 R HN 0.394 nan 8.270 nan 0.000 0.436 518 I N 0.599 121.182 120.570 0.022 0.000 2.208 518 I HA -0.252 3.917 4.170 -0.000 0.000 0.245 518 I C 1.868 178.035 176.117 0.083 0.000 1.097 518 I CA 2.073 63.406 61.300 0.056 0.000 1.363 518 I CB -0.551 37.482 38.000 0.054 0.000 1.051 518 I HN 0.400 nan 8.210 nan 0.000 0.413 519 S N -0.031 115.712 115.700 0.071 0.000 2.368 519 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 519 S C 2.142 176.646 174.600 -0.160 0.000 1.029 519 S CA 1.186 59.403 58.200 0.028 0.000 0.988 519 S CB -1.365 61.878 63.200 0.071 0.000 0.838 519 S HN 0.623 nan 8.310 nan 0.000 0.462 520 S N 3.480 119.049 115.700 -0.218 0.000 2.372 520 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 520 S C 1.877 176.392 174.600 -0.141 0.000 1.044 520 S CA 1.551 59.626 58.200 -0.209 0.000 1.050 520 S CB -1.125 61.932 63.200 -0.238 0.000 0.901 520 S HN 0.466 nan 8.310 nan 0.000 0.447 521 L N 0.541 121.706 121.223 -0.097 0.000 2.046 521 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 521 L C 2.648 179.464 176.870 -0.090 0.000 1.077 521 L CA 1.113 55.926 54.840 -0.045 0.000 0.747 521 L CB -0.650 41.406 42.059 -0.005 0.000 0.896 521 L HN 0.280 nan 8.230 nan 0.000 0.432 522 L N -0.169 120.936 121.223 -0.197 0.000 2.017 522 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 522 L C 2.642 179.274 176.870 -0.397 0.000 1.073 522 L CA 1.822 56.410 54.840 -0.420 0.000 0.745 522 L CB -0.508 41.108 42.059 -0.739 0.000 0.894 522 L HN 0.260 nan 8.230 nan 0.000 0.432 523 Q N 0.254 119.865 119.800 -0.315 0.000 2.045 523 Q HA -0.313 4.026 4.340 -0.000 0.000 0.206 523 Q C 2.224 178.094 176.000 -0.216 0.000 0.991 523 Q CA 2.534 58.191 55.803 -0.243 0.000 0.851 523 Q CB -0.591 28.032 28.738 -0.191 0.000 0.911 523 Q HN 0.679 nan 8.270 nan 0.000 0.418 524 E N -0.815 119.273 120.200 -0.188 0.000 2.085 524 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 524 E C 1.785 178.169 176.600 -0.360 0.000 0.994 524 E CA 1.196 57.465 56.400 -0.218 0.000 0.801 524 E CB -0.339 29.292 29.700 -0.115 0.000 0.743 524 E HN 0.480 nan 8.360 nan 0.000 0.453 525 A N 1.434 124.137 122.820 -0.195 0.000 1.865 525 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 525 A C 2.076 179.499 177.584 -0.269 0.000 1.191 525 A CA 2.031 54.003 52.037 -0.109 0.000 0.623 525 A CB -0.497 18.575 19.000 0.121 0.000 0.826 525 A HN 0.202 nan 8.150 nan 0.000 0.444 526 K N -0.705 119.567 120.400 -0.212 0.000 2.001 526 K HA -0.172 4.148 4.320 -0.000 0.000 0.214 526 K C 2.300 178.798 176.600 -0.170 0.000 1.050 526 K CA 2.203 58.416 56.287 -0.122 0.000 0.934 526 K CB -0.641 31.795 32.500 -0.107 0.000 0.718 526 K HN 0.750 nan 8.250 nan 0.000 0.443 527 T N -0.622 113.798 114.554 -0.222 0.000 2.737 527 T HA -0.181 4.168 4.350 -0.000 0.000 0.265 527 T C 2.062 176.575 174.700 -0.311 0.000 1.038 527 T CA 1.085 63.056 62.100 -0.214 0.000 1.144 527 T CB -0.290 68.469 68.868 -0.181 0.000 0.866 527 T HN 0.056 nan 8.240 nan 0.000 0.434 528 Q N 1.810 121.288 119.800 -0.537 0.000 2.050 528 Q HA 0.110 4.450 4.340 -0.000 0.000 0.202 528 Q C 2.572 178.179 176.000 -0.654 0.000 0.980 528 Q CA 1.944 57.309 55.803 -0.730 0.000 0.840 528 Q CB -1.100 26.789 28.738 -1.415 0.000 0.898 528 Q HN 0.649 nan 8.270 nan 0.000 0.424 529 A N 0.314 122.673 122.820 -0.769 0.000 1.958 529 A HA -0.219 4.101 4.320 -0.000 0.000 0.221 529 A C 2.174 179.693 177.584 -0.110 0.000 1.178 529 A CA 2.127 53.992 52.037 -0.285 0.000 0.642 529 A CB -1.268 17.703 19.000 -0.049 0.000 0.816 529 A HN 0.513 nan 8.150 nan 0.000 0.453 530 A N 0.629 123.368 122.820 -0.136 0.000 1.827 530 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 530 A C 2.160 179.712 177.584 -0.055 0.000 1.212 530 A CA 1.811 53.805 52.037 -0.072 0.000 0.624 530 A CB -1.172 17.782 19.000 -0.078 0.000 0.853 530 A HN 0.898 nan 8.150 nan 0.000 0.450 531 L N -0.681 120.497 121.223 -0.074 0.000 2.051 531 L HA -0.212 4.128 4.340 -0.000 0.000 0.214 531 L C 2.293 179.153 176.870 -0.016 0.000 1.076 531 L CA 1.791 56.605 54.840 -0.045 0.000 0.758 531 L CB -1.757 40.270 42.059 -0.054 0.000 0.890 531 L HN 0.197 nan 8.230 nan 0.000 0.433 532 V N 0.976 120.886 119.914 -0.008 0.000 2.222 532 V HA -0.367 3.753 4.120 -0.000 0.000 0.252 532 V C 2.718 178.833 176.094 0.036 0.000 1.060 532 V CA 2.581 64.908 62.300 0.045 0.000 1.027 532 V CB -0.744 31.144 31.823 0.109 0.000 0.644 532 V HN 0.381 nan 8.190 nan 0.000 0.448 533 L N 0.107 121.348 121.223 0.030 0.000 2.079 533 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 533 L C 2.514 179.392 176.870 0.013 0.000 1.081 533 L CA 1.740 56.595 54.840 0.025 0.000 0.752 533 L CB -1.063 41.010 42.059 0.023 0.000 0.896 533 L HN 0.516 nan 8.230 nan 0.000 0.433 534 G N -0.929 107.873 108.800 0.004 0.000 2.666 534 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.215 534 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.215 534 G C 1.576 176.480 174.900 0.007 0.000 1.294 534 G CA 1.006 46.106 45.100 0.001 0.000 0.811 534 G HN 0.403 nan 8.290 nan 0.000 0.594 535 S N 0.917 116.622 115.700 0.009 0.000 2.407 535 S HA -0.258 4.212 4.470 -0.000 0.000 0.244 535 S C 2.332 176.941 174.600 0.015 0.000 1.077 535 S CA 1.783 59.991 58.200 0.013 0.000 1.159 535 S CB -0.670 62.542 63.200 0.020 0.000 1.045 535 S HN 0.308 nan 8.310 nan 0.000 0.438 536 L N 1.056 122.290 121.223 0.018 0.000 1.990 536 L HA -0.203 4.136 4.340 -0.000 0.000 0.213 536 L C 2.789 179.668 176.870 0.015 0.000 1.072 536 L CA 1.839 56.690 54.840 0.017 0.000 0.755 536 L CB -0.647 41.424 42.059 0.020 0.000 0.889 536 L HN 0.258 nan 8.230 nan 0.000 0.432 537 E N 0.563 120.771 120.200 0.013 0.000 2.049 537 E HA -0.256 4.094 4.350 -0.000 0.000 0.198 537 E C 2.054 178.660 176.600 0.010 0.000 1.007 537 E CA 1.838 58.245 56.400 0.011 0.000 0.809 537 E CB -0.305 29.401 29.700 0.009 0.000 0.749 537 E HN 0.386 nan 8.360 nan 0.000 0.450 538 A N -0.010 122.816 122.820 0.009 0.000 2.172 538 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 538 A C 2.129 179.720 177.584 0.011 0.000 1.154 538 A CA 1.505 53.547 52.037 0.009 0.000 0.701 538 A CB -0.515 18.489 19.000 0.007 0.000 0.789 538 A HN 0.205 nan 8.150 nan 0.000 0.465 539 R N 0.551 121.059 120.500 0.014 0.000 2.055 539 R HA 0.009 4.349 4.340 -0.000 0.000 0.228 539 R C 0.570 176.881 176.300 0.018 0.000 1.143 539 R CA 0.966 57.076 56.100 0.017 0.000 0.945 539 R CB -0.409 29.902 30.300 0.018 0.000 0.841 539 R HN 0.280 nan 8.270 nan 0.000 0.429 540 K N 2.615 123.025 120.400 0.017 0.000 3.858 540 K HA -0.201 4.118 4.320 -0.000 0.000 0.243 540 K C -0.480 176.130 176.600 0.016 0.000 0.990 540 K CA 0.960 57.257 56.287 0.017 0.000 1.078 540 K CB -0.716 31.792 32.500 0.014 0.000 1.735 540 K HN 0.531 nan 8.250 nan 0.000 0.433 541 E N 0.000 120.212 120.200 0.020 0.000 2.725 541 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 541 E CA 0.000 56.411 56.400 0.019 0.000 0.976 541 E CB 0.000 29.713 29.700 0.022 0.000 0.812 541 E HN 0.000 nan 8.360 nan 0.000 0.440